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 1v2h_1_E DATA FIRST_RESID 2 DATA SEQUENCE ENGYTYEDYK NTAEWLLSHT KHRPQVAIIC GSGLGGLTDK LTQAQIFDYS DATA SEQUENCE EIPNFPRSTV PGHAGRLVFG FLNGRACVMM QGRFHMYEGY PLWKVTFPVR DATA SEQUENCE VFHLLGVDTL VVTNAAGGLN PKFEVGDIML IRDHINLPGF SGQNPLRGPN DATA SEQUENCE DERFGDRFPA MSDAYDRTMR QRALSTWKQM GEQRELQEGT YVMVAGPSFE DATA SEQUENCE TVAECRVLQK LGADAVGMST VPEVIVARHC GLRVFGFSLI TNKVIMDYES DATA SEQUENCE LEKANHEEVL AAGKQAAQKL EQFVSILMAS IPLPDKAS 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.456 176.600 -0.241 0.000 1.382 2 E CA 0.000 56.443 56.400 0.071 0.000 0.976 2 E CB 0.000 29.690 29.700 -0.016 0.000 0.812 3 N N 0.887 119.272 118.700 -0.524 0.000 1.773 3 N HA -0.292 4.448 4.740 0.000 0.000 0.341 3 N C 1.069 175.640 175.510 -1.565 0.000 1.201 3 N CA 2.673 55.188 53.050 -0.891 0.000 0.799 3 N CB 0.067 38.031 38.487 -0.872 0.000 1.006 3 N HN 0.786 nan 8.380 nan 0.000 0.507 4 G N 1.710 109.860 108.800 -1.085 0.000 2.458 4 G HA2 -0.313 3.647 3.960 0.000 0.000 0.237 4 G HA3 -0.313 3.647 3.960 0.000 0.000 0.237 4 G C -0.311 174.106 174.900 -0.805 0.000 1.113 4 G CA 0.865 45.308 45.100 -1.095 0.000 0.655 4 G HN 0.650 nan 8.290 nan 0.000 0.513 5 Y N 1.736 121.798 120.300 -0.395 0.000 2.429 5 Y HA 0.642 5.192 4.550 0.000 0.000 0.342 5 Y C 0.851 176.660 175.900 -0.153 0.000 1.004 5 Y CA -0.309 57.635 58.100 -0.259 0.000 1.075 5 Y CB 2.128 40.427 38.460 -0.268 0.000 1.214 5 Y HN 0.406 nan 8.280 nan 0.000 0.455 6 T N -1.948 112.642 114.554 0.061 0.000 2.942 6 T HA 0.240 4.590 4.350 0.000 0.000 0.289 6 T C 0.529 175.389 174.700 0.267 0.000 1.044 6 T CA -0.567 61.628 62.100 0.158 0.000 1.023 6 T CB 0.986 69.914 68.868 0.100 0.000 1.123 6 T HN 0.624 nan 8.240 nan 0.000 0.512 7 Y N 0.725 121.215 120.300 0.317 0.000 2.128 7 Y HA -0.131 4.419 4.550 0.000 0.000 0.284 7 Y C 2.666 178.739 175.900 0.287 0.000 1.154 7 Y CA 2.206 60.563 58.100 0.430 0.000 1.149 7 Y CB -0.074 38.498 38.460 0.185 0.000 0.976 7 Y HN 0.850 nan 8.280 nan 0.000 0.505 8 E N -0.092 120.300 120.200 0.321 0.000 2.209 8 E HA -0.234 4.117 4.350 0.000 0.000 0.196 8 E C 1.509 178.179 176.600 0.115 0.000 0.993 8 E CA 1.367 57.887 56.400 0.199 0.000 0.819 8 E CB -0.104 29.687 29.700 0.152 0.000 0.745 8 E HN 0.601 nan 8.360 nan 0.000 0.477 9 D N -0.462 119.977 120.400 0.064 0.000 2.097 9 D HA -0.155 4.485 4.640 0.000 0.000 0.197 9 D C 1.766 178.065 176.300 -0.002 0.000 0.984 9 D CA 1.043 55.044 54.000 0.001 0.000 0.826 9 D CB -0.399 40.375 40.800 -0.043 0.000 0.973 9 D HN 0.302 nan 8.370 nan 0.000 0.460 10 Y N 1.381 121.727 120.300 0.077 0.000 2.224 10 Y HA -0.097 4.453 4.550 0.000 0.000 0.289 10 Y C 2.431 178.286 175.900 -0.074 0.000 1.146 10 Y CA 0.798 58.853 58.100 -0.074 0.000 1.182 10 Y CB -0.312 38.068 38.460 -0.133 0.000 0.983 10 Y HN -0.121 nan 8.280 nan 0.000 0.524 11 K N 0.488 120.932 120.400 0.072 0.000 2.009 11 K HA -0.200 4.121 4.320 0.000 0.000 0.210 11 K C 1.582 178.246 176.600 0.108 0.000 1.049 11 K CA 1.749 58.073 56.287 0.061 0.000 0.929 11 K CB -0.200 32.357 32.500 0.096 0.000 0.714 11 K HN 0.333 nan 8.250 nan 0.000 0.440 12 N N 0.156 118.927 118.700 0.118 0.000 2.166 12 N HA -0.109 4.631 4.740 0.000 0.000 0.186 12 N C 1.707 177.324 175.510 0.179 0.000 1.019 12 N CA 1.532 54.667 53.050 0.141 0.000 0.856 12 N CB -0.667 37.889 38.487 0.115 0.000 0.993 12 N HN 0.227 nan 8.380 nan 0.000 0.426 13 T N 0.884 115.534 114.554 0.159 0.000 2.857 13 T HA 0.050 4.400 4.350 0.000 0.000 0.266 13 T C 2.018 176.856 174.700 0.230 0.000 1.048 13 T CA 1.120 63.332 62.100 0.186 0.000 1.139 13 T CB -0.201 68.820 68.868 0.255 0.000 0.874 13 T HN 0.333 nan 8.240 nan 0.000 0.455 14 A N 1.799 124.722 122.820 0.172 0.000 1.855 14 A HA -0.111 4.209 4.320 0.000 0.000 0.215 14 A C 2.187 179.879 177.584 0.179 0.000 1.191 14 A CA 1.553 53.688 52.037 0.163 0.000 0.613 14 A CB -0.617 18.442 19.000 0.097 0.000 0.829 14 A HN 0.521 nan 8.150 nan 0.000 0.442 15 E N -1.624 118.675 120.200 0.165 0.000 2.118 15 E HA -0.259 4.091 4.350 0.000 0.000 0.195 15 E C 1.763 178.484 176.600 0.202 0.000 0.992 15 E CA 1.408 57.899 56.400 0.152 0.000 0.804 15 E CB -0.253 29.529 29.700 0.137 0.000 0.741 15 E HN 0.839 nan 8.360 nan 0.000 0.458 16 W N 1.254 122.591 121.300 0.062 0.000 2.354 16 W HA -0.175 4.485 4.660 0.000 0.000 0.315 16 W C 1.813 178.359 176.519 0.045 0.000 1.206 16 W CA 1.239 58.621 57.345 0.062 0.000 1.290 16 W CB -0.245 29.198 29.460 -0.028 0.000 1.152 16 W HN -0.036 nan 8.180 nan 0.000 0.489 17 L N -0.062 121.436 121.223 0.457 0.000 2.017 17 L HA -0.277 4.063 4.340 0.000 0.000 0.208 17 L C 2.487 179.337 176.870 -0.033 0.000 1.073 17 L CA 0.891 55.829 54.840 0.162 0.000 0.745 17 L CB -1.119 41.081 42.059 0.236 0.000 0.894 17 L HN 0.078 nan 8.230 nan 0.000 0.432 18 L N -0.038 121.213 121.223 0.046 0.000 1.989 18 L HA -0.237 4.103 4.340 0.000 0.000 0.211 18 L C 2.839 179.684 176.870 -0.043 0.000 1.071 18 L CA 2.337 57.181 54.840 0.006 0.000 0.749 18 L CB -1.231 40.854 42.059 0.045 0.000 0.890 18 L HN 0.425 nan 8.230 nan 0.000 0.431 19 S N -2.731 112.944 115.700 -0.042 0.000 2.603 19 S HA -0.128 4.342 4.470 0.000 0.000 0.229 19 S C 1.443 175.884 174.600 -0.265 0.000 0.972 19 S CA 0.705 58.837 58.200 -0.113 0.000 0.935 19 S CB -0.552 62.600 63.200 -0.081 0.000 0.769 19 S HN 0.568 nan 8.310 nan 0.000 0.536 20 H N -0.032 118.828 119.070 -0.349 0.000 2.755 20 H HA 0.438 4.994 4.556 0.000 0.000 0.273 20 H C -0.002 175.287 175.328 -0.064 0.000 1.055 20 H CA 0.309 56.158 56.048 -0.331 0.000 1.191 20 H CB 1.054 30.362 29.762 -0.756 0.000 1.536 20 H HN 0.372 nan 8.280 nan 0.000 0.529 21 T N -0.357 114.176 114.554 -0.035 0.000 2.952 21 T HA 0.197 4.547 4.350 0.000 0.000 0.305 21 T C 0.732 175.402 174.700 -0.050 0.000 1.064 21 T CA -0.812 61.261 62.100 -0.045 0.000 1.008 21 T CB 1.088 69.788 68.868 -0.279 0.000 1.078 21 T HN 0.407 nan 8.240 nan 0.000 0.459 22 K N 2.492 122.882 120.400 -0.017 0.000 2.217 22 K HA 0.047 4.367 4.320 0.000 0.000 0.202 22 K C 0.604 177.160 176.600 -0.074 0.000 1.051 22 K CA 0.654 56.895 56.287 -0.077 0.000 0.952 22 K CB -0.195 32.222 32.500 -0.138 0.000 0.736 22 K HN 0.636 nan 8.250 nan 0.000 0.453 23 H N 1.420 120.427 119.070 -0.106 0.000 2.790 23 H HA 0.204 4.760 4.556 0.000 0.000 0.358 23 H C -0.174 175.127 175.328 -0.045 0.000 1.103 23 H CA -0.236 55.763 56.048 -0.081 0.000 1.426 23 H CB 0.652 30.341 29.762 -0.122 0.000 1.424 23 H HN 0.001 nan 8.280 nan 0.000 0.599 24 R N 3.024 123.612 120.500 0.147 0.000 2.467 24 R HA 0.241 4.581 4.340 0.000 0.000 0.299 24 R C -2.590 173.786 176.300 0.126 0.000 1.120 24 R CA -1.819 54.353 56.100 0.119 0.000 0.940 24 R CB 1.590 31.938 30.300 0.081 0.000 1.161 24 R HN 0.579 nan 8.270 nan 0.000 0.506 25 P HA 0.171 nan 4.420 nan 0.000 0.277 25 P C -0.203 177.117 177.300 0.033 0.000 1.240 25 P CA -0.249 62.888 63.100 0.061 0.000 0.798 25 P CB 1.768 33.469 31.700 0.002 0.000 0.979 26 Q N 0.897 120.708 119.800 0.018 0.000 2.322 26 Q HA 0.176 4.516 4.340 0.000 0.000 0.250 26 Q C -0.579 175.424 176.000 0.006 0.000 0.853 26 Q CA 0.453 56.274 55.803 0.029 0.000 0.951 26 Q CB 0.862 29.632 28.738 0.054 0.000 1.114 26 Q HN 0.312 nan 8.270 nan 0.000 0.523 27 V N 1.495 121.388 119.914 -0.035 0.000 2.525 27 V HA 0.640 4.760 4.120 0.000 0.000 0.299 27 V C -0.668 175.324 176.094 -0.169 0.000 1.034 27 V CA -0.786 61.480 62.300 -0.058 0.000 0.863 27 V CB 1.370 33.186 31.823 -0.012 0.000 0.999 27 V HN 0.235 nan 8.190 nan 0.000 0.423 28 A N 6.112 128.812 122.820 -0.200 0.000 2.305 28 A HA 0.926 5.247 4.320 0.000 0.000 0.322 28 A C -0.664 176.802 177.584 -0.197 0.000 1.187 28 A CA -0.441 51.384 52.037 -0.353 0.000 0.825 28 A CB 0.554 19.332 19.000 -0.369 0.000 1.164 28 A HN 0.791 nan 8.150 nan 0.000 0.498 29 I N 2.662 123.113 120.570 -0.198 0.000 2.498 29 I HA 0.367 4.537 4.170 0.000 0.000 0.290 29 I C -0.786 175.281 176.117 -0.084 0.000 1.032 29 I CA -0.252 60.969 61.300 -0.132 0.000 1.073 29 I CB 1.942 39.870 38.000 -0.119 0.000 1.251 29 I HN 0.487 nan 8.210 nan 0.000 0.426 30 I N 5.181 125.709 120.570 -0.070 0.000 2.355 30 I HA 0.310 4.480 4.170 0.000 0.000 0.288 30 I C -0.460 175.625 176.117 -0.053 0.000 0.999 30 I CA -0.486 60.783 61.300 -0.051 0.000 1.163 30 I CB 1.282 39.243 38.000 -0.065 0.000 1.316 30 I HN 0.541 nan 8.210 nan 0.000 0.454 31 C N 5.345 124.625 119.300 -0.034 0.000 2.435 31 C HA 0.540 5.000 4.460 0.000 0.000 0.375 31 C C 1.295 176.289 174.990 0.008 0.000 1.281 31 C CA -0.495 58.517 59.018 -0.010 0.000 1.963 31 C CB 0.078 27.817 27.740 -0.003 0.000 2.490 31 C HN 0.928 nan 8.230 nan 0.000 0.557 32 G N 2.165 110.983 108.800 0.029 0.000 2.563 32 G HA2 0.399 4.359 3.960 0.000 0.000 0.283 32 G HA3 0.399 4.359 3.960 0.000 0.000 0.283 32 G C -0.150 174.809 174.900 0.098 0.000 1.309 32 G CA -0.291 44.848 45.100 0.065 0.000 1.022 32 G HN 0.762 nan 8.290 nan 0.000 0.501 33 S N -0.729 115.059 115.700 0.147 0.000 2.546 33 S HA 0.382 4.853 4.470 0.000 0.000 0.290 33 S C 1.404 176.064 174.600 0.101 0.000 1.290 33 S CA 1.019 59.310 58.200 0.152 0.000 1.069 33 S CB 0.575 63.895 63.200 0.201 0.000 0.846 33 S HN 1.924 nan 8.310 nan 0.000 0.495 34 G N 2.546 111.397 108.800 0.084 0.000 2.168 34 G HA2 -0.232 3.728 3.960 0.000 0.000 0.263 34 G HA3 -0.232 3.728 3.960 0.000 0.000 0.263 34 G C 0.302 175.231 174.900 0.050 0.000 0.977 34 G CA 0.403 45.538 45.100 0.058 0.000 0.659 34 G HN 0.678 nan 8.290 nan 0.000 0.533 35 L N 0.069 121.323 121.223 0.051 0.000 2.910 35 L HA 0.433 4.774 4.340 0.000 0.000 0.252 35 L C 2.246 179.133 176.870 0.028 0.000 1.195 35 L CA 0.351 55.215 54.840 0.041 0.000 1.003 35 L CB 0.284 42.370 42.059 0.044 0.000 1.328 35 L HN 0.160 nan 8.230 nan 0.000 0.540 36 G N 0.329 109.146 108.800 0.028 0.000 2.511 36 G HA2 -0.095 3.866 3.960 0.000 0.000 0.217 36 G HA3 -0.095 3.866 3.960 0.000 0.000 0.217 36 G C 1.502 176.407 174.900 0.008 0.000 1.133 36 G CA 0.660 45.768 45.100 0.015 0.000 0.792 36 G HN 0.454 nan 8.290 nan 0.000 0.539 37 G N 0.815 109.624 108.800 0.016 0.000 2.498 37 G HA2 -0.146 3.814 3.960 0.000 0.000 0.219 37 G HA3 -0.146 3.814 3.960 0.000 0.000 0.219 37 G C 1.609 176.515 174.900 0.011 0.000 1.119 37 G CA 0.280 45.388 45.100 0.014 0.000 0.766 37 G HN 0.432 nan 8.290 nan 0.000 0.552 38 L N 1.260 122.488 121.223 0.009 0.000 2.187 38 L HA -0.127 4.213 4.340 0.000 0.000 0.213 38 L C 3.253 180.121 176.870 -0.004 0.000 1.100 38 L CA 1.710 56.553 54.840 0.005 0.000 0.765 38 L CB -0.365 41.694 42.059 -0.000 0.000 0.904 38 L HN 0.462 nan 8.230 nan 0.000 0.437 39 T N -4.982 109.564 114.554 -0.013 0.000 3.007 39 T HA -0.157 4.193 4.350 0.000 0.000 0.270 39 T C 1.332 176.027 174.700 -0.009 0.000 1.107 39 T CA 1.060 63.146 62.100 -0.023 0.000 1.118 39 T CB -0.316 68.531 68.868 -0.035 0.000 0.889 39 T HN 0.270 nan 8.240 nan 0.000 0.506 40 D N 1.729 122.130 120.400 0.002 0.000 2.269 40 D HA 0.022 4.662 4.640 0.000 0.000 0.208 40 D C 1.781 178.091 176.300 0.018 0.000 0.963 40 D CA 0.745 54.751 54.000 0.010 0.000 0.864 40 D CB -0.080 40.727 40.800 0.012 0.000 0.936 40 D HN 0.526 nan 8.370 nan 0.000 0.505 41 K N 0.072 120.483 120.400 0.019 0.000 2.487 41 K HA 0.137 4.457 4.320 0.000 0.000 0.192 41 K C 0.717 177.342 176.600 0.042 0.000 1.027 41 K CA 0.000 56.305 56.287 0.029 0.000 1.054 41 K CB 0.583 33.100 32.500 0.029 0.000 0.824 41 K HN 0.100 nan 8.250 nan 0.000 0.510 42 L N 1.496 122.740 121.223 0.035 0.000 2.439 42 L HA 0.159 4.499 4.340 0.000 0.000 0.261 42 L C 0.563 177.488 176.870 0.092 0.000 1.153 42 L CA -0.382 54.491 54.840 0.055 0.000 0.808 42 L CB 1.041 43.108 42.059 0.013 0.000 1.126 42 L HN 0.090 nan 8.230 nan 0.000 0.460 43 T N -1.388 113.267 114.554 0.167 0.000 2.824 43 T HA 0.353 4.703 4.350 0.000 0.000 0.282 43 T C -0.284 174.609 174.700 0.322 0.000 0.993 43 T CA -0.668 61.558 62.100 0.210 0.000 0.967 43 T CB 1.717 70.707 68.868 0.204 0.000 0.960 43 T HN 0.651 nan 8.240 nan 0.000 0.441 44 Q N -0.197 119.749 119.800 0.244 0.000 2.481 44 Q HA -0.155 4.186 4.340 0.000 0.000 0.283 44 Q C 0.231 176.378 176.000 0.246 0.000 1.292 44 Q CA 0.457 56.429 55.803 0.282 0.000 0.819 44 Q CB -2.031 26.980 28.738 0.455 0.000 1.202 44 Q HN 1.181 nan 8.270 nan 0.000 0.446 45 A N 1.031 123.914 122.820 0.106 0.000 2.477 45 A HA 0.279 4.599 4.320 0.000 0.000 0.246 45 A C 0.199 177.772 177.584 -0.018 0.000 1.078 45 A CA 0.368 52.408 52.037 0.004 0.000 0.770 45 A CB 0.547 19.542 19.000 -0.009 0.000 1.011 45 A HN 0.359 nan 8.150 nan 0.000 0.494 46 Q N 1.980 121.719 119.800 -0.101 0.000 2.339 46 Q HA 0.525 4.866 4.340 0.000 0.000 0.268 46 Q C -1.284 174.631 176.000 -0.141 0.000 1.027 46 Q CA -0.234 55.475 55.803 -0.156 0.000 0.759 46 Q CB 1.076 29.684 28.738 -0.216 0.000 1.244 46 Q HN 0.761 nan 8.270 nan 0.000 0.464 47 I N 3.889 124.341 120.570 -0.196 0.000 2.331 47 I HA 0.309 4.480 4.170 0.000 0.000 0.292 47 I C -0.788 175.195 176.117 -0.223 0.000 0.998 47 I CA -0.405 60.819 61.300 -0.126 0.000 1.267 47 I CB 0.603 38.547 38.000 -0.093 0.000 1.386 47 I HN 0.480 nan 8.210 nan 0.000 0.476 48 F N 3.778 123.776 119.950 0.080 0.000 2.467 48 F HA 0.248 4.775 4.527 0.000 0.000 0.336 48 F C 0.296 176.066 175.800 -0.050 0.000 1.123 48 F CA -0.879 57.173 58.000 0.087 0.000 0.964 48 F CB 1.287 40.409 39.000 0.203 0.000 1.136 48 F HN 0.386 nan 8.300 nan 0.000 0.447 49 D N 2.224 122.703 120.400 0.131 0.000 2.308 49 D HA 0.041 4.681 4.640 0.000 0.000 0.251 49 D C 0.942 177.243 176.300 0.001 0.000 1.127 49 D CA 0.071 54.048 54.000 -0.038 0.000 0.876 49 D CB 0.569 41.356 40.800 -0.021 0.000 1.176 49 D HN 0.354 nan 8.370 nan 0.000 0.446 50 Y N 2.227 122.457 120.300 -0.116 0.000 2.132 50 Y HA -0.283 4.267 4.550 0.000 0.000 0.280 50 Y C 2.594 178.448 175.900 -0.077 0.000 1.193 50 Y CA 1.447 59.427 58.100 -0.200 0.000 1.157 50 Y CB -1.136 37.373 38.460 0.081 0.000 0.966 50 Y HN 0.412 nan 8.280 nan 0.000 0.511 51 S N -0.150 115.643 115.700 0.154 0.000 2.359 51 S HA -0.231 4.239 4.470 0.000 0.000 0.224 51 S C 1.820 176.427 174.600 0.011 0.000 1.035 51 S CA 1.626 59.877 58.200 0.085 0.000 1.018 51 S CB -0.397 62.842 63.200 0.066 0.000 0.876 51 S HN 0.597 nan 8.310 nan 0.000 0.448 52 E N 0.841 121.050 120.200 0.015 0.000 2.110 52 E HA -0.045 4.305 4.350 0.000 0.000 0.193 52 E C 0.227 176.644 176.600 -0.305 0.000 0.988 52 E CA 0.514 56.911 56.400 -0.004 0.000 0.804 52 E CB -0.340 29.479 29.700 0.199 0.000 0.745 52 E HN 0.506 nan 8.360 nan 0.000 0.458 53 I N 2.499 122.846 120.570 -0.372 0.000 2.598 53 I HA -0.013 4.157 4.170 0.000 0.000 0.284 53 I C -1.729 174.111 176.117 -0.461 0.000 1.140 53 I CA -1.796 59.077 61.300 -0.712 0.000 1.420 53 I CB 0.246 37.997 38.000 -0.415 0.000 1.387 53 I HN -0.162 nan 8.210 nan 0.000 0.553 54 P HA -0.223 nan 4.420 nan 0.000 0.221 54 P C 0.688 177.914 177.300 -0.123 0.000 1.082 54 P CA 1.044 63.933 63.100 -0.353 0.000 0.951 54 P CB 0.065 31.541 31.700 -0.374 0.000 0.583 55 N N -1.050 117.599 118.700 -0.085 0.000 2.717 55 N HA -0.135 4.605 4.740 0.000 0.000 0.197 55 N C 0.256 175.519 175.510 -0.412 0.000 1.215 55 N CA 0.552 53.498 53.050 -0.174 0.000 0.949 55 N CB -0.863 37.530 38.487 -0.156 0.000 0.999 55 N HN 0.208 nan 8.380 nan 0.000 0.448 56 F N 2.311 122.094 119.950 -0.279 0.000 2.541 56 F HA 0.100 4.627 4.527 0.000 0.000 0.378 56 F C -1.652 174.015 175.800 -0.223 0.000 1.068 56 F CA -1.808 56.077 58.000 -0.192 0.000 1.199 56 F CB 0.599 39.615 39.000 0.027 0.000 1.091 56 F HN -0.119 nan 8.300 nan 0.000 0.555 57 P HA 0.026 nan 4.420 nan 0.000 0.262 57 P C -0.561 176.719 177.300 -0.033 0.000 1.199 57 P CA 0.327 63.191 63.100 -0.392 0.000 0.763 57 P CB 0.427 31.385 31.700 -1.236 0.000 0.790 58 R N 1.633 122.209 120.500 0.127 0.000 2.652 58 R HA 0.339 4.679 4.340 0.000 0.000 0.271 58 R C 0.270 176.814 176.300 0.407 0.000 1.129 58 R CA -0.360 55.923 56.100 0.306 0.000 1.200 58 R CB 0.364 30.779 30.300 0.192 0.000 1.146 58 R HN 0.406 nan 8.270 nan 0.000 0.581 59 S N 0.391 116.367 115.700 0.459 0.000 2.523 59 S HA 0.004 4.474 4.470 0.000 0.000 0.275 59 S C 1.425 176.211 174.600 0.309 0.000 1.281 59 S CA -0.495 57.993 58.200 0.480 0.000 1.050 59 S CB 1.569 65.007 63.200 0.396 0.000 0.937 59 S HN 0.753 nan 8.310 nan 0.000 0.492 60 T N 0.644 115.369 114.554 0.285 0.000 2.803 60 T HA -0.095 4.255 4.350 0.000 0.000 0.269 60 T C 1.136 175.894 174.700 0.096 0.000 1.052 60 T CA 1.528 63.679 62.100 0.085 0.000 1.136 60 T CB -0.159 68.685 68.868 -0.041 0.000 0.864 60 T HN 0.427 nan 8.240 nan 0.000 0.467 61 V N 0.063 120.064 119.914 0.146 0.000 3.359 61 V HA 0.195 4.315 4.120 0.000 0.000 0.204 61 V C -0.817 175.375 176.094 0.165 0.000 1.410 61 V CA -0.212 62.165 62.300 0.127 0.000 1.303 61 V CB -0.779 31.102 31.823 0.097 0.000 1.198 61 V HN 0.185 nan 8.190 nan 0.000 0.531 62 P HA -0.099 nan 4.420 nan 0.000 0.203 62 P C 1.459 178.851 177.300 0.152 0.000 1.002 62 P CA 2.572 65.780 63.100 0.179 0.000 0.964 62 P CB -0.509 31.309 31.700 0.197 0.000 0.727 63 G N -1.320 107.528 108.800 0.079 0.000 5.260 63 G HA2 -0.338 3.622 3.960 0.000 0.000 0.276 63 G HA3 -0.338 3.622 3.960 0.000 0.000 0.276 63 G C 0.240 174.947 174.900 -0.322 0.000 1.357 63 G CA 0.973 45.988 45.100 -0.143 0.000 1.008 63 G HN 0.571 nan 8.290 nan 0.000 0.777 64 H N 1.546 120.625 119.070 0.015 0.000 2.970 64 H HA 0.583 5.139 4.556 0.000 0.000 0.226 64 H C 0.954 176.284 175.328 0.004 0.000 1.909 64 H CA 1.126 57.173 56.048 -0.002 0.000 1.388 64 H CB -0.089 29.681 29.762 0.012 0.000 1.773 64 H HN 1.418 nan 8.280 nan 0.000 0.559 65 A N 0.596 123.415 122.820 -0.003 0.000 2.361 65 A HA 0.243 4.563 4.320 0.000 0.000 0.222 65 A C 0.696 178.257 177.584 -0.038 0.000 2.888 65 A CA -0.050 51.993 52.037 0.011 0.000 1.645 65 A CB -0.691 18.356 19.000 0.078 0.000 0.168 65 A HN 0.640 nan 8.150 nan 0.000 0.609 66 G N 0.934 109.627 108.800 -0.177 0.000 2.975 66 G HA2 0.587 4.548 3.960 0.000 0.000 0.299 66 G HA3 0.587 4.548 3.960 0.000 0.000 0.299 66 G C -0.663 173.652 174.900 -0.975 0.000 1.587 66 G CA 0.180 45.050 45.100 -0.383 0.000 1.052 66 G HN 1.013 nan 8.290 nan 0.000 0.545 67 R N 1.572 121.508 120.500 -0.940 0.000 2.710 67 R HA 0.588 4.928 4.340 0.000 0.000 0.270 67 R C -2.385 173.677 176.300 -0.397 0.000 1.021 67 R CA -1.086 54.544 56.100 -0.782 0.000 0.889 67 R CB 1.616 31.706 30.300 -0.350 0.000 1.243 67 R HN 0.356 nan 8.270 nan 0.000 0.464 68 L N 2.212 123.344 121.223 -0.152 0.000 2.277 68 L HA 0.404 4.744 4.340 0.000 0.000 0.284 68 L C -0.910 175.955 176.870 -0.007 0.000 1.028 68 L CA -0.647 54.197 54.840 0.006 0.000 0.835 68 L CB 1.467 43.571 42.059 0.075 0.000 1.215 68 L HN 0.506 nan 8.230 nan 0.000 0.425 69 V N 5.555 125.397 119.914 -0.119 0.000 2.357 69 V HA 0.537 4.658 4.120 0.000 0.000 0.284 69 V C -0.608 175.366 176.094 -0.199 0.000 1.018 69 V CA -0.335 61.917 62.300 -0.079 0.000 0.841 69 V CB 0.884 32.666 31.823 -0.069 0.000 0.991 69 V HN 0.512 nan 8.190 nan 0.000 0.437 70 F N 5.542 125.364 119.950 -0.214 0.000 2.389 70 F HA 0.901 5.428 4.527 0.000 0.000 0.337 70 F C 1.153 176.625 175.800 -0.546 0.000 1.112 70 F CA 1.004 58.755 58.000 -0.416 0.000 1.192 70 F CB 1.710 40.351 39.000 -0.599 0.000 1.185 70 F HN 0.905 nan 8.300 nan 0.000 0.552 71 G N 1.024 109.618 108.800 -0.344 0.000 2.348 71 G HA2 0.469 4.430 3.960 0.000 0.000 0.296 71 G HA3 0.469 4.430 3.960 0.000 0.000 0.296 71 G C -2.213 172.384 174.900 -0.505 0.000 1.258 71 G CA -0.901 44.014 45.100 -0.308 0.000 0.868 71 G HN 0.255 nan 8.290 nan 0.000 0.488 72 F N -0.194 119.824 119.950 0.113 0.000 2.507 72 F HA 0.781 5.308 4.527 0.000 0.000 0.325 72 F C -0.232 175.596 175.800 0.048 0.000 1.116 72 F CA -0.766 57.284 58.000 0.083 0.000 0.930 72 F CB 2.326 41.374 39.000 0.081 0.000 1.146 72 F HN 0.391 nan 8.300 nan 0.000 0.447 73 L N 3.550 124.888 121.223 0.193 0.000 2.381 73 L HA 0.486 4.826 4.340 0.000 0.000 0.274 73 L C 0.172 177.114 176.870 0.118 0.000 0.988 73 L CA -0.514 54.398 54.840 0.119 0.000 0.824 73 L CB 1.427 43.521 42.059 0.058 0.000 1.263 73 L HN 0.642 nan 8.230 nan 0.000 0.410 74 N N 3.955 122.713 118.700 0.096 0.000 2.712 74 N HA -0.206 4.534 4.740 0.000 0.000 0.263 74 N C 0.876 176.433 175.510 0.078 0.000 0.954 74 N CA 1.781 54.876 53.050 0.075 0.000 0.812 74 N CB -0.674 37.849 38.487 0.061 0.000 0.912 74 N HN 1.203 nan 8.380 nan 0.000 0.551 75 G N -1.333 107.523 108.800 0.094 0.000 2.349 75 G HA2 -0.265 3.695 3.960 0.000 0.000 0.213 75 G HA3 -0.265 3.695 3.960 0.000 0.000 0.213 75 G C 0.046 175.025 174.900 0.133 0.000 1.044 75 G CA 0.157 45.309 45.100 0.085 0.000 0.633 75 G HN 0.503 nan 8.290 nan 0.000 0.506 76 R N 1.026 121.615 120.500 0.149 0.000 2.500 76 R HA 0.732 5.073 4.340 0.000 0.000 0.277 76 R C 0.271 176.703 176.300 0.220 0.000 1.026 76 R CA 0.097 56.291 56.100 0.158 0.000 1.058 76 R CB 1.048 31.409 30.300 0.101 0.000 1.078 76 R HN 0.762 nan 8.270 nan 0.000 0.509 77 A N 2.025 124.958 122.820 0.188 0.000 2.343 77 A HA 0.353 4.673 4.320 0.000 0.000 0.305 77 A C 0.013 177.579 177.584 -0.030 0.000 1.308 77 A CA -0.491 51.594 52.037 0.081 0.000 0.949 77 A CB -0.105 18.974 19.000 0.131 0.000 1.148 77 A HN 0.683 nan 8.150 nan 0.000 0.545 78 C N 0.751 119.983 119.300 -0.113 0.000 2.354 78 C HA 0.816 5.276 4.460 0.000 0.000 0.381 78 C C 0.280 175.110 174.990 -0.267 0.000 1.240 78 C CA -0.363 58.560 59.018 -0.159 0.000 2.089 78 C CB 1.541 29.202 27.740 -0.132 0.000 2.234 78 C HN 0.801 nan 8.230 nan 0.000 0.544 79 V N 2.694 122.365 119.914 -0.405 0.000 2.663 79 V HA 0.441 4.561 4.120 0.000 0.000 0.286 79 V C -1.096 174.661 176.094 -0.561 0.000 1.085 79 V CA -0.148 61.726 62.300 -0.710 0.000 0.916 79 V CB 1.040 32.234 31.823 -1.049 0.000 1.039 79 V HN 0.910 nan 8.190 nan 0.000 0.453 80 M N 6.845 126.205 119.600 -0.401 0.000 2.268 80 M HA 0.561 5.041 4.480 0.000 0.000 0.344 80 M C -0.396 175.819 176.300 -0.141 0.000 1.106 80 M CA -0.360 54.803 55.300 -0.229 0.000 1.010 80 M CB 2.079 34.588 32.600 -0.152 0.000 1.649 80 M HN 0.579 nan 8.290 nan 0.000 0.443 81 M N 3.318 122.896 119.600 -0.035 0.000 2.055 81 M HA 0.225 4.706 4.480 0.000 0.000 0.347 81 M C -0.684 175.635 176.300 0.031 0.000 1.123 81 M CA -0.201 55.151 55.300 0.087 0.000 1.035 81 M CB 0.805 33.498 32.600 0.154 0.000 1.484 81 M HN 0.619 nan 8.290 nan 0.000 0.428 82 Q N 3.987 123.789 119.800 0.004 0.000 2.390 82 Q HA 0.491 4.831 4.340 0.000 0.000 0.249 82 Q C -0.310 175.686 176.000 -0.007 0.000 0.996 82 Q CA -0.001 55.789 55.803 -0.023 0.000 0.899 82 Q CB 1.007 29.709 28.738 -0.059 0.000 1.216 82 Q HN 1.008 nan 8.270 nan 0.000 0.465 83 G N 3.734 112.555 108.800 0.035 0.000 2.858 83 G HA2 -0.187 3.773 3.960 0.000 0.000 0.272 83 G HA3 -0.187 3.773 3.960 0.000 0.000 0.272 83 G C -0.601 174.315 174.900 0.028 0.000 1.003 83 G CA -0.246 44.902 45.100 0.080 0.000 1.241 83 G HN 0.743 nan 8.290 nan 0.000 0.569 84 R N 0.147 120.587 120.500 -0.101 0.000 2.577 84 R HA 0.812 5.152 4.340 0.000 0.000 0.269 84 R C -0.146 175.928 176.300 -0.375 0.000 1.084 84 R CA -0.663 55.205 56.100 -0.387 0.000 1.163 84 R CB 0.567 30.660 30.300 -0.345 0.000 1.100 84 R HN 0.132 nan 8.270 nan 0.000 0.547 85 F N -0.031 119.734 119.950 -0.308 0.000 2.375 85 F HA 0.359 4.887 4.527 0.000 0.000 0.333 85 F C 0.232 175.800 175.800 -0.387 0.000 1.104 85 F CA -0.507 57.286 58.000 -0.346 0.000 1.149 85 F CB 0.778 39.335 39.000 -0.739 0.000 1.190 85 F HN 0.490 nan 8.300 nan 0.000 0.533 86 H N 1.119 120.203 119.070 0.023 0.000 2.821 86 H HA 0.320 4.876 4.556 0.000 0.000 0.373 86 H C 0.743 175.988 175.328 -0.139 0.000 1.165 86 H CA -0.863 55.047 56.048 -0.231 0.000 1.154 86 H CB 1.784 31.024 29.762 -0.871 0.000 1.765 86 H HN 0.650 nan 8.280 nan 0.000 0.549 87 M N 0.821 120.425 119.600 0.007 0.000 2.492 87 M HA -0.028 4.452 4.480 0.000 0.000 0.262 87 M C 0.785 177.112 176.300 0.045 0.000 1.090 87 M CA 1.291 56.606 55.300 0.026 0.000 1.110 87 M CB -0.246 32.366 32.600 0.019 0.000 1.407 87 M HN 0.747 nan 8.290 nan 0.000 0.470 88 Y N 0.486 120.857 120.300 0.119 0.000 2.639 88 Y HA 0.138 4.689 4.550 0.000 0.000 0.297 88 Y C 0.988 176.886 175.900 -0.003 0.000 1.151 88 Y CA 0.524 58.648 58.100 0.039 0.000 1.335 88 Y CB -0.801 37.671 38.460 0.019 0.000 0.994 88 Y HN 0.387 nan 8.280 nan 0.000 0.548 89 E N 0.358 120.617 120.200 0.100 0.000 2.474 89 E HA 0.248 4.598 4.350 0.000 0.000 0.195 89 E C 1.577 178.053 176.600 -0.207 0.000 1.039 89 E CA 0.381 56.795 56.400 0.024 0.000 0.881 89 E CB 0.594 30.302 29.700 0.014 0.000 0.970 89 E HN 0.714 nan 8.360 nan 0.000 0.486 90 G N 0.736 109.436 108.800 -0.166 0.000 2.259 90 G HA2 -0.258 3.702 3.960 0.000 0.000 0.217 90 G HA3 -0.258 3.702 3.960 0.000 0.000 0.217 90 G C -0.177 174.553 174.900 -0.283 0.000 1.001 90 G CA -0.499 44.461 45.100 -0.233 0.000 0.627 90 G HN 0.190 nan 8.290 nan 0.000 0.501 91 Y N 2.356 122.539 120.300 -0.196 0.000 2.620 91 Y HA 0.420 4.971 4.550 0.000 0.000 0.330 91 Y C -1.602 174.082 175.900 -0.360 0.000 1.186 91 Y CA -1.306 56.594 58.100 -0.333 0.000 1.467 91 Y CB 0.157 38.400 38.460 -0.362 0.000 1.262 91 Y HN 0.056 nan 8.280 nan 0.000 0.550 92 P HA 0.076 nan 4.420 nan 0.000 0.272 92 P C 0.610 177.625 177.300 -0.474 0.000 1.223 92 P CA -0.241 62.569 63.100 -0.482 0.000 0.784 92 P CB 0.758 31.856 31.700 -1.004 0.000 0.923 93 L N 1.146 122.227 121.223 -0.237 0.000 2.447 93 L HA -0.109 4.231 4.340 0.000 0.000 0.225 93 L C 1.626 178.448 176.870 -0.080 0.000 1.148 93 L CA 1.008 55.773 54.840 -0.126 0.000 0.808 93 L CB -0.577 41.468 42.059 -0.023 0.000 0.928 93 L HN 0.647 nan 8.230 nan 0.000 0.448 94 W N -0.915 120.394 121.300 0.015 0.000 3.256 94 W HA 0.094 4.754 4.660 0.000 0.000 0.269 94 W C 1.475 178.079 176.519 0.142 0.000 1.310 94 W CA -0.235 57.153 57.345 0.072 0.000 1.673 94 W CB -0.430 29.093 29.460 0.104 0.000 1.115 94 W HN 0.102 nan 8.180 nan 0.000 0.686 95 K N 0.552 120.766 120.400 -0.309 0.000 2.306 95 K HA 0.024 4.344 4.320 0.000 0.000 0.200 95 K C 2.129 178.495 176.600 -0.390 0.000 1.083 95 K CA 0.296 56.382 56.287 -0.336 0.000 0.959 95 K CB 0.060 32.184 32.500 -0.626 0.000 0.994 95 K HN -0.154 nan 8.250 nan 0.000 0.492 96 V N 1.873 121.590 119.914 -0.327 0.000 2.332 96 V HA -0.249 3.871 4.120 0.000 0.000 0.248 96 V C 2.200 178.253 176.094 -0.069 0.000 1.055 96 V CA 2.518 64.721 62.300 -0.162 0.000 1.038 96 V CB -0.491 31.257 31.823 -0.124 0.000 0.651 96 V HN 0.558 nan 8.190 nan 0.000 0.450 97 T N -3.332 111.160 114.554 -0.103 0.000 3.107 97 T HA -0.004 4.347 4.350 0.000 0.000 0.249 97 T C 1.523 176.098 174.700 -0.208 0.000 1.096 97 T CA 0.240 62.249 62.100 -0.152 0.000 1.012 97 T CB -0.380 68.409 68.868 -0.132 0.000 0.977 97 T HN 0.348 nan 8.240 nan 0.000 0.527 98 F N 3.700 123.457 119.950 -0.322 0.000 2.065 98 F HA 0.050 4.577 4.527 0.000 0.000 0.298 98 F C -0.998 174.453 175.800 -0.583 0.000 1.112 98 F CA 0.946 58.691 58.000 -0.425 0.000 1.212 98 F CB -1.318 37.304 39.000 -0.631 0.000 0.975 98 F HN 0.158 nan 8.300 nan 0.000 0.476 99 P HA -0.239 nan 4.420 nan 0.000 0.217 99 P C 2.099 178.541 177.300 -1.430 0.000 1.162 99 P CA 2.693 65.057 63.100 -1.228 0.000 0.901 99 P CB -0.190 30.933 31.700 -0.961 0.000 0.793 100 V N -0.121 119.219 119.914 -0.956 0.000 2.317 100 V HA -0.296 3.825 4.120 0.000 0.000 0.251 100 V C 2.515 178.312 176.094 -0.495 0.000 1.065 100 V CA 1.869 63.803 62.300 -0.609 0.000 1.049 100 V CB -1.043 30.568 31.823 -0.353 0.000 0.651 100 V HN 0.099 nan 8.190 nan 0.000 0.450 101 R N 0.118 120.231 120.500 -0.645 0.000 2.081 101 R HA -0.116 4.224 4.340 0.000 0.000 0.235 101 R C 2.456 178.493 176.300 -0.439 0.000 1.131 101 R CA 1.740 57.399 56.100 -0.734 0.000 0.960 101 R CB -1.115 28.434 30.300 -1.252 0.000 0.856 101 R HN 0.627 nan 8.270 nan 0.000 0.436 102 V N -0.539 119.048 119.914 -0.545 0.000 2.548 102 V HA -0.118 4.002 4.120 0.000 0.000 0.249 102 V C 2.021 178.148 176.094 0.056 0.000 1.055 102 V CA 1.358 63.503 62.300 -0.258 0.000 1.065 102 V CB -0.605 31.002 31.823 -0.360 0.000 0.681 102 V HN -0.041 nan 8.190 nan 0.000 0.462 103 F N 1.883 121.770 119.950 -0.105 0.000 2.126 103 F HA -0.042 4.485 4.527 0.000 0.000 0.299 103 F C 2.508 178.317 175.800 0.015 0.000 1.096 103 F CA 1.797 59.777 58.000 -0.033 0.000 1.255 103 F CB -1.779 37.184 39.000 -0.061 0.000 0.997 103 F HN 0.518 nan 8.300 nan 0.000 0.479 104 H N 0.360 119.494 119.070 0.108 0.000 2.319 104 H HA -0.145 4.411 4.556 0.000 0.000 0.299 104 H C 1.971 177.352 175.328 0.089 0.000 1.092 104 H CA 1.950 58.042 56.048 0.073 0.000 1.302 104 H CB -0.533 29.251 29.762 0.037 0.000 1.373 104 H HN 0.249 nan 8.280 nan 0.000 0.497 105 L N -0.437 120.731 121.223 -0.092 0.000 2.376 105 L HA -0.084 4.257 4.340 0.000 0.000 0.219 105 L C 1.816 178.664 176.870 -0.038 0.000 1.133 105 L CA 0.123 54.875 54.840 -0.147 0.000 0.816 105 L CB -0.183 41.849 42.059 -0.044 0.000 0.933 105 L HN 0.291 nan 8.230 nan 0.000 0.449 106 L N -0.509 120.745 121.223 0.051 0.000 2.240 106 L HA 0.071 4.411 4.340 0.000 0.000 0.211 106 L C 1.675 178.580 176.870 0.058 0.000 1.106 106 L CA 1.674 56.572 54.840 0.098 0.000 0.793 106 L CB -0.491 41.678 42.059 0.184 0.000 0.927 106 L HN 0.361 nan 8.230 nan 0.000 0.446 107 G N -2.313 106.504 108.800 0.028 0.000 2.273 107 G HA2 -0.180 3.780 3.960 0.000 0.000 0.162 107 G HA3 -0.180 3.780 3.960 0.000 0.000 0.162 107 G C 0.201 175.130 174.900 0.049 0.000 1.006 107 G CA -0.059 45.054 45.100 0.022 0.000 0.704 107 G HN 0.019 nan 8.290 nan 0.000 0.487 108 V N 2.287 122.241 119.914 0.067 0.000 2.694 108 V HA 0.332 4.453 4.120 0.000 0.000 0.306 108 V C 1.279 177.428 176.094 0.092 0.000 1.054 108 V CA 1.690 64.027 62.300 0.062 0.000 1.161 108 V CB 1.257 33.115 31.823 0.057 0.000 0.916 108 V HN 0.625 nan 8.190 nan 0.000 0.490 109 D N 0.574 121.017 120.400 0.071 0.000 2.514 109 D HA 0.123 4.763 4.640 0.000 0.000 0.225 109 D C 0.317 176.655 176.300 0.064 0.000 1.159 109 D CA 0.028 54.074 54.000 0.076 0.000 0.823 109 D CB 0.530 41.370 40.800 0.067 0.000 1.097 109 D HN 0.519 nan 8.370 nan 0.000 0.519 110 T N 0.401 114.989 114.554 0.056 0.000 2.909 110 T HA 0.603 4.953 4.350 0.000 0.000 0.299 110 T C -1.499 173.211 174.700 0.016 0.000 1.073 110 T CA -0.719 61.417 62.100 0.061 0.000 0.999 110 T CB 2.322 71.254 68.868 0.106 0.000 1.098 110 T HN 0.103 nan 8.240 nan 0.000 0.477 111 L N 3.048 124.257 121.223 -0.022 0.000 2.441 111 L HA 0.772 5.112 4.340 0.000 0.000 0.270 111 L C -0.956 175.765 176.870 -0.248 0.000 0.973 111 L CA -0.780 54.006 54.840 -0.089 0.000 0.842 111 L CB 1.552 43.580 42.059 -0.051 0.000 1.239 111 L HN 0.549 nan 8.230 nan 0.000 0.406 112 V N 6.543 126.242 119.914 -0.358 0.000 2.350 112 V HA 0.782 4.902 4.120 0.000 0.000 0.276 112 V C -0.734 175.152 176.094 -0.347 0.000 1.028 112 V CA -0.177 61.728 62.300 -0.658 0.000 0.860 112 V CB 1.597 32.931 31.823 -0.814 0.000 0.990 112 V HN 0.706 nan 8.190 nan 0.000 0.453 113 V N 3.773 123.499 119.914 -0.313 0.000 2.483 113 V HA 0.945 5.066 4.120 0.000 0.000 0.295 113 V C 0.143 176.143 176.094 -0.158 0.000 1.035 113 V CA 0.275 62.463 62.300 -0.187 0.000 0.896 113 V CB 1.153 32.882 31.823 -0.157 0.000 0.986 113 V HN 1.148 nan 8.190 nan 0.000 0.447 114 T N 1.496 115.997 114.554 -0.088 0.000 2.916 114 T HA 0.737 5.087 4.350 0.000 0.000 0.292 114 T C -0.694 173.989 174.700 -0.029 0.000 1.055 114 T CA -0.591 61.495 62.100 -0.022 0.000 1.009 114 T CB 2.046 70.940 68.868 0.043 0.000 1.118 114 T HN 1.261 nan 8.240 nan 0.000 0.497 115 N N -0.181 118.520 118.700 0.003 0.000 2.927 115 N HA 0.538 5.278 4.740 0.000 0.000 0.248 115 N C -1.648 173.921 175.510 0.098 0.000 1.443 115 N CA -1.267 51.809 53.050 0.044 0.000 0.870 115 N CB 1.684 40.172 38.487 0.001 0.000 1.444 115 N HN 0.956 nan 8.380 nan 0.000 0.519 116 A N -0.163 122.744 122.820 0.145 0.000 2.324 116 A HA 0.914 5.235 4.320 0.000 0.000 0.330 116 A C -0.699 176.989 177.584 0.174 0.000 1.165 116 A CA -0.250 51.869 52.037 0.137 0.000 0.813 116 A CB 1.220 20.299 19.000 0.131 0.000 1.197 116 A HN 1.038 nan 8.150 nan 0.000 0.484 117 A N 0.718 123.622 122.820 0.141 0.000 2.593 117 A HA 0.857 5.177 4.320 0.000 0.000 0.290 117 A C 0.032 177.643 177.584 0.045 0.000 1.126 117 A CA -0.114 52.004 52.037 0.135 0.000 0.695 117 A CB 1.014 20.167 19.000 0.254 0.000 1.290 117 A HN 1.919 nan 8.150 nan 0.000 0.414 118 G N -0.567 108.219 108.800 -0.023 0.000 2.389 118 G HA2 0.542 4.502 3.960 0.000 0.000 0.317 118 G HA3 0.542 4.502 3.960 0.000 0.000 0.317 118 G C 0.249 175.155 174.900 0.010 0.000 1.137 118 G CA 0.064 45.129 45.100 -0.057 0.000 0.870 118 G HN 1.326 nan 8.290 nan 0.000 0.496 119 G N 0.196 109.019 108.800 0.039 0.000 2.338 119 G HA2 0.425 4.385 3.960 0.000 0.000 0.295 119 G HA3 0.425 4.385 3.960 0.000 0.000 0.295 119 G C 0.655 175.533 174.900 -0.036 0.000 1.132 119 G CA -0.468 44.683 45.100 0.085 0.000 0.922 119 G HN 0.490 nan 8.290 nan 0.000 0.427 120 L N 2.302 123.457 121.223 -0.114 0.000 2.388 120 L HA 0.180 4.520 4.340 0.000 0.000 0.209 120 L C 1.441 178.163 176.870 -0.246 0.000 1.061 120 L CA -0.164 54.586 54.840 -0.151 0.000 0.834 120 L CB -0.006 41.972 42.059 -0.135 0.000 1.029 120 L HN 0.453 nan 8.230 nan 0.000 0.473 121 N N 1.208 119.610 118.700 -0.496 0.000 2.475 121 N HA 0.023 4.763 4.740 0.000 0.000 0.267 121 N C -1.919 173.336 175.510 -0.426 0.000 1.169 121 N CA -1.119 51.551 53.050 -0.633 0.000 0.947 121 N CB 1.818 39.516 38.487 -1.314 0.000 1.061 121 N HN -0.134 nan 8.380 nan 0.000 0.466 122 P HA -0.083 nan 4.420 nan 0.000 0.218 122 P C 0.722 178.005 177.300 -0.028 0.000 1.148 122 P CA 1.330 64.375 63.100 -0.090 0.000 0.822 122 P CB 0.412 32.076 31.700 -0.060 0.000 0.784 123 K N -1.077 119.307 120.400 -0.026 0.000 2.026 123 K HA -0.040 4.280 4.320 0.000 0.000 0.208 123 K C 0.637 177.391 176.600 0.256 0.000 1.048 123 K CA 0.707 57.060 56.287 0.111 0.000 0.929 123 K CB -1.191 31.405 32.500 0.161 0.000 0.713 123 K HN 0.052 nan 8.250 nan 0.000 0.439 124 F N 2.167 122.115 119.950 -0.003 0.000 2.635 124 F HA -0.028 4.499 4.527 0.000 0.000 0.379 124 F C 0.572 176.370 175.800 -0.003 0.000 1.094 124 F CA -0.125 57.872 58.000 -0.005 0.000 1.300 124 F CB -0.435 38.561 39.000 -0.007 0.000 1.035 124 F HN 0.085 nan 8.300 nan 0.000 0.581 125 E N 0.840 121.136 120.200 0.160 0.000 2.244 125 E HA 0.506 4.856 4.350 0.000 0.000 0.266 125 E C -0.882 175.754 176.600 0.060 0.000 0.914 125 E CA -1.266 55.186 56.400 0.086 0.000 0.794 125 E CB 2.522 32.253 29.700 0.052 0.000 1.210 125 E HN 0.435 nan 8.360 nan 0.000 0.414 126 V N 1.080 121.022 119.914 0.046 0.000 2.963 126 V HA 0.433 4.554 4.120 0.000 0.000 0.306 126 V C 1.008 177.112 176.094 0.016 0.000 1.077 126 V CA 1.334 63.653 62.300 0.031 0.000 1.124 126 V CB 0.300 32.138 31.823 0.025 0.000 0.987 126 V HN 0.958 nan 8.190 nan 0.000 0.487 127 G N 3.500 112.305 108.800 0.008 0.000 2.284 127 G HA2 -0.228 3.732 3.960 0.000 0.000 0.230 127 G HA3 -0.228 3.732 3.960 0.000 0.000 0.230 127 G C 0.032 174.921 174.900 -0.018 0.000 1.021 127 G CA 0.289 45.392 45.100 0.005 0.000 0.619 127 G HN 0.988 nan 8.290 nan 0.000 0.510 128 D N 0.414 120.785 120.400 -0.048 0.000 2.341 128 D HA 0.479 5.119 4.640 0.000 0.000 0.235 128 D C 0.836 177.038 176.300 -0.165 0.000 1.265 128 D CA 0.563 54.484 54.000 -0.132 0.000 0.888 128 D CB 0.501 41.169 40.800 -0.219 0.000 1.192 128 D HN 0.408 nan 8.370 nan 0.000 0.462 129 I N 0.900 121.311 120.570 -0.265 0.000 2.498 129 I HA 0.278 4.448 4.170 0.000 0.000 0.290 129 I C -0.531 175.410 176.117 -0.293 0.000 1.032 129 I CA -0.638 60.526 61.300 -0.227 0.000 1.073 129 I CB 1.752 39.581 38.000 -0.286 0.000 1.251 129 I HN 0.120 nan 8.210 nan 0.000 0.426 130 M N 7.301 126.802 119.600 -0.166 0.000 2.181 130 M HA 0.461 4.941 4.480 0.000 0.000 0.323 130 M C -1.667 174.642 176.300 0.015 0.000 1.004 130 M CA -0.698 54.498 55.300 -0.173 0.000 0.941 130 M CB 1.727 34.216 32.600 -0.185 0.000 1.579 130 M HN 0.507 nan 8.290 nan 0.000 0.427 131 L N 6.051 127.292 121.223 0.030 0.000 2.361 131 L HA 0.335 4.676 4.340 0.000 0.000 0.278 131 L C -0.466 176.334 176.870 -0.117 0.000 1.113 131 L CA -0.310 54.552 54.840 0.036 0.000 0.849 131 L CB 0.674 42.791 42.059 0.097 0.000 1.155 131 L HN 0.735 nan 8.230 nan 0.000 0.452 132 I N 5.684 126.088 120.570 -0.277 0.000 2.483 132 I HA 0.015 4.185 4.170 0.000 0.000 0.291 132 I C 1.350 177.150 176.117 -0.527 0.000 1.112 132 I CA 0.366 61.401 61.300 -0.441 0.000 1.350 132 I CB 0.457 38.044 38.000 -0.687 0.000 1.419 132 I HN 0.701 nan 8.210 nan 0.000 0.523 133 R N 3.682 123.989 120.500 -0.321 0.000 2.223 133 R HA 0.092 4.432 4.340 0.000 0.000 0.198 133 R C -0.081 176.120 176.300 -0.164 0.000 0.984 133 R CA 0.644 56.643 56.100 -0.169 0.000 1.018 133 R CB 0.468 30.737 30.300 -0.051 0.000 0.945 133 R HN 0.687 nan 8.270 nan 0.000 0.479 134 D N -1.301 118.920 120.400 -0.298 0.000 2.764 134 D HA 0.151 4.791 4.640 0.000 0.000 0.293 134 D C -1.650 174.612 176.300 -0.064 0.000 1.287 134 D CA -0.409 53.519 54.000 -0.121 0.000 0.768 134 D CB 1.128 41.922 40.800 -0.010 0.000 1.288 134 D HN 0.322 nan 8.370 nan 0.000 0.426 135 H N -1.310 117.837 119.070 0.128 0.000 2.990 135 H HA 0.683 5.239 4.556 0.000 0.000 0.343 135 H C -0.998 174.376 175.328 0.076 0.000 1.270 135 H CA -0.989 55.140 56.048 0.135 0.000 1.118 135 H CB 1.329 31.238 29.762 0.244 0.000 1.861 135 H HN 0.231 nan 8.280 nan 0.000 0.544 136 I N 2.163 122.874 120.570 0.235 0.000 2.410 136 I HA 0.092 4.262 4.170 0.000 0.000 0.286 136 I C -0.322 175.689 176.117 -0.177 0.000 1.009 136 I CA -0.701 60.618 61.300 0.032 0.000 1.111 136 I CB 1.566 39.572 38.000 0.010 0.000 1.262 136 I HN 0.493 nan 8.210 nan 0.000 0.443 137 N N 6.698 125.167 118.700 -0.384 0.000 3.083 137 N HA 0.150 4.890 4.740 0.000 0.000 0.260 137 N C 0.742 175.885 175.510 -0.611 0.000 1.163 137 N CA -0.264 52.513 53.050 -0.456 0.000 1.060 137 N CB 0.602 38.857 38.487 -0.386 0.000 1.345 137 N HN 0.497 nan 8.380 nan 0.000 0.515 138 L N 3.746 124.739 121.223 -0.384 0.000 2.013 138 L HA -0.038 4.303 4.340 0.000 0.000 0.212 138 L C -0.572 176.238 176.870 -0.099 0.000 1.073 138 L CA 1.854 56.562 54.840 -0.219 0.000 0.753 138 L CB -1.515 40.501 42.059 -0.072 0.000 0.890 138 L HN 0.406 nan 8.230 nan 0.000 0.432 139 P HA -0.100 nan 4.420 nan 0.000 0.216 139 P C 1.636 178.936 177.300 0.001 0.000 1.153 139 P CA 1.621 64.712 63.100 -0.015 0.000 0.848 139 P CB -0.200 31.490 31.700 -0.017 0.000 0.787 140 G N -1.207 107.558 108.800 -0.059 0.000 2.432 140 G HA2 -0.257 3.703 3.960 0.000 0.000 0.219 140 G HA3 -0.257 3.703 3.960 0.000 0.000 0.219 140 G C 1.183 176.165 174.900 0.137 0.000 1.135 140 G CA 0.340 45.439 45.100 -0.001 0.000 0.767 140 G HN 0.108 nan 8.290 nan 0.000 0.550 141 F N 2.101 122.068 119.950 0.029 0.000 2.161 141 F HA -0.035 4.492 4.527 0.000 0.000 0.300 141 F C 2.774 178.589 175.800 0.027 0.000 1.089 141 F CA 1.010 59.028 58.000 0.029 0.000 1.282 141 F CB -0.588 38.428 39.000 0.026 0.000 1.010 141 F HN 0.093 nan 8.300 nan 0.000 0.485 142 S N -1.256 114.574 115.700 0.217 0.000 2.593 142 S HA 0.358 4.828 4.470 0.000 0.000 0.217 142 S C 1.850 176.506 174.600 0.093 0.000 0.966 142 S CA 0.620 58.896 58.200 0.128 0.000 0.914 142 S CB 0.153 63.414 63.200 0.102 0.000 0.776 142 S HN 0.577 nan 8.310 nan 0.000 0.523 143 G N 0.991 109.849 108.800 0.096 0.000 2.380 143 G HA2 -0.163 3.797 3.960 0.000 0.000 0.197 143 G HA3 -0.163 3.797 3.960 0.000 0.000 0.197 143 G C 0.079 175.018 174.900 0.065 0.000 1.001 143 G CA -0.605 44.541 45.100 0.076 0.000 0.668 143 G HN 0.331 nan 8.290 nan 0.000 0.483 144 Q N 1.583 121.416 119.800 0.056 0.000 3.026 144 Q HA 0.203 4.543 4.340 0.000 0.000 0.258 144 Q C -0.353 175.662 176.000 0.024 0.000 1.388 144 Q CA 0.022 55.849 55.803 0.041 0.000 1.000 144 Q CB -0.012 28.745 28.738 0.031 0.000 1.634 144 Q HN 0.529 nan 8.270 nan 0.000 0.571 145 N N 1.985 120.705 118.700 0.033 0.000 2.372 145 N HA 0.221 4.962 4.740 0.000 0.000 0.285 145 N C -1.963 173.556 175.510 0.016 0.000 1.008 145 N CA -1.878 51.181 53.050 0.015 0.000 0.880 145 N CB 1.904 40.408 38.487 0.030 0.000 1.239 145 N HN 0.012 nan 8.380 nan 0.000 0.484 146 P HA -0.098 nan 4.420 nan 0.000 0.226 146 P C 1.058 178.345 177.300 -0.020 0.000 1.146 146 P CA 0.451 63.554 63.100 0.006 0.000 0.773 146 P CB 0.566 32.243 31.700 -0.037 0.000 0.772 147 L N -0.905 120.277 121.223 -0.067 0.000 2.529 147 L HA 0.177 4.517 4.340 0.000 0.000 0.223 147 L C 1.546 178.371 176.870 -0.076 0.000 1.113 147 L CA -0.081 54.675 54.840 -0.139 0.000 0.861 147 L CB -1.426 40.509 42.059 -0.206 0.000 1.012 147 L HN -0.060 nan 8.230 nan 0.000 0.461 148 R N 0.495 120.988 120.500 -0.011 0.000 2.585 148 R HA 0.368 4.708 4.340 0.000 0.000 0.275 148 R C 0.247 176.545 176.300 -0.003 0.000 1.018 148 R CA 1.063 57.169 56.100 0.010 0.000 1.072 148 R CB 0.023 30.349 30.300 0.043 0.000 0.953 148 R HN 0.302 nan 8.270 nan 0.000 0.419 149 G N 3.983 112.774 108.800 -0.015 0.000 2.371 149 G HA2 -0.109 3.851 3.960 0.000 0.000 0.663 149 G HA3 -0.109 3.851 3.960 0.000 0.000 0.663 149 G C -2.835 172.047 174.900 -0.031 0.000 1.311 149 G CA -0.770 44.312 45.100 -0.031 0.000 0.985 149 G HN 0.592 nan 8.290 nan 0.000 0.566 150 P HA 0.244 nan 4.420 nan 0.000 0.269 150 P C -0.441 176.856 177.300 -0.005 0.000 1.209 150 P CA -0.098 62.990 63.100 -0.019 0.000 0.776 150 P CB 0.753 32.446 31.700 -0.011 0.000 0.876 151 N N 1.447 120.141 118.700 -0.011 0.000 2.438 151 N HA 0.078 4.818 4.740 0.000 0.000 0.282 151 N C -0.747 174.814 175.510 0.086 0.000 1.037 151 N CA -0.307 52.760 53.050 0.027 0.000 0.942 151 N CB 0.373 38.851 38.487 -0.016 0.000 1.136 151 N HN 0.183 nan 8.380 nan 0.000 0.481 152 D N 2.409 122.925 120.400 0.193 0.000 2.411 152 D HA 0.052 4.692 4.640 0.000 0.000 0.225 152 D C 0.409 176.807 176.300 0.163 0.000 1.156 152 D CA -0.162 53.958 54.000 0.200 0.000 0.874 152 D CB 0.842 41.872 40.800 0.384 0.000 1.034 152 D HN 0.597 nan 8.370 nan 0.000 0.502 153 E N 2.750 122.974 120.200 0.039 0.000 2.510 153 E HA -0.103 4.248 4.350 0.000 0.000 0.202 153 E C 1.400 177.964 176.600 -0.059 0.000 1.072 153 E CA 0.766 57.159 56.400 -0.011 0.000 0.883 153 E CB 0.103 29.782 29.700 -0.035 0.000 0.818 153 E HN 0.391 nan 8.360 nan 0.000 0.548 154 R N -1.430 119.005 120.500 -0.108 0.000 2.240 154 R HA 0.042 4.382 4.340 0.000 0.000 0.203 154 R C 0.886 177.106 176.300 -0.133 0.000 1.011 154 R CA 0.505 56.475 56.100 -0.215 0.000 1.007 154 R CB 0.133 30.099 30.300 -0.557 0.000 0.911 154 R HN 0.199 nan 8.270 nan 0.000 0.468 155 F N -1.145 118.828 119.950 0.038 0.000 2.490 155 F HA 0.362 4.889 4.527 0.000 0.000 0.280 155 F C 1.299 176.848 175.800 -0.418 0.000 1.030 155 F CA 0.632 58.584 58.000 -0.081 0.000 1.367 155 F CB 0.380 39.399 39.000 0.033 0.000 1.131 155 F HN -0.016 nan 8.300 nan 0.000 0.632 156 G N -1.149 107.464 108.800 -0.312 0.000 2.490 156 G HA2 0.256 4.217 3.960 0.000 0.000 0.308 156 G HA3 0.256 4.217 3.960 0.000 0.000 0.308 156 G C -1.724 173.036 174.900 -0.234 0.000 1.286 156 G CA -0.796 43.877 45.100 -0.711 0.000 0.825 156 G HN -0.191 nan 8.290 nan 0.000 0.479 157 D N -0.487 119.832 120.400 -0.136 0.000 2.398 157 D HA 0.304 4.944 4.640 0.000 0.000 0.247 157 D C 1.187 177.536 176.300 0.081 0.000 1.227 157 D CA -0.532 53.475 54.000 0.012 0.000 0.980 157 D CB 1.263 42.074 40.800 0.018 0.000 1.106 157 D HN 0.212 nan 8.370 nan 0.000 0.493 158 R N -0.128 120.293 120.500 -0.131 0.000 2.062 158 R HA 0.021 4.361 4.340 0.000 0.000 0.226 158 R C 0.281 176.289 176.300 -0.487 0.000 1.125 158 R CA 0.788 56.632 56.100 -0.426 0.000 0.966 158 R CB -0.118 29.671 30.300 -0.852 0.000 0.861 158 R HN 0.323 nan 8.270 nan 0.000 0.433 159 F N 2.891 122.885 119.950 0.074 0.000 2.366 159 F HA 0.352 4.879 4.527 0.000 0.000 0.328 159 F C -1.772 174.069 175.800 0.067 0.000 1.180 159 F CA -2.818 55.218 58.000 0.061 0.000 1.232 159 F CB 0.383 39.410 39.000 0.045 0.000 1.513 159 F HN -0.080 nan 8.300 nan 0.000 0.540 160 P HA 0.324 nan 4.420 nan 0.000 0.275 160 P C -0.454 176.923 177.300 0.129 0.000 1.227 160 P CA -0.199 62.994 63.100 0.156 0.000 0.781 160 P CB 1.464 33.270 31.700 0.177 0.000 0.906 161 A N 3.488 126.362 122.820 0.090 0.000 2.327 161 A HA 0.483 4.804 4.320 0.000 0.000 0.283 161 A C 0.829 178.439 177.584 0.042 0.000 1.127 161 A CA -0.392 51.686 52.037 0.068 0.000 0.810 161 A CB 0.232 19.262 19.000 0.050 0.000 1.066 161 A HN 0.519 nan 8.150 nan 0.000 0.492 162 M N 1.998 121.622 119.600 0.040 0.000 2.300 162 M HA 0.031 4.511 4.480 0.000 0.000 0.313 162 M C 1.692 177.977 176.300 -0.025 0.000 0.988 162 M CA 0.716 56.017 55.300 0.002 0.000 1.012 162 M CB -0.539 32.090 32.600 0.049 0.000 1.586 162 M HN 0.925 nan 8.290 nan 0.000 0.562 163 S N 1.128 116.831 115.700 0.006 0.000 2.419 163 S HA -0.128 4.342 4.470 0.000 0.000 0.233 163 S C 0.925 175.523 174.600 -0.004 0.000 1.016 163 S CA 1.591 59.796 58.200 0.008 0.000 0.974 163 S CB -0.562 62.652 63.200 0.023 0.000 0.786 163 S HN 0.524 nan 8.310 nan 0.000 0.492 164 D N 0.770 121.160 120.400 -0.017 0.000 2.525 164 D HA 0.561 5.202 4.640 0.000 0.000 0.229 164 D C 1.262 177.522 176.300 -0.068 0.000 1.202 164 D CA 0.207 54.195 54.000 -0.020 0.000 0.828 164 D CB 0.046 40.840 40.800 -0.010 0.000 1.008 164 D HN 0.330 nan 8.370 nan 0.000 0.493 165 A N 0.281 123.016 122.820 -0.141 0.000 1.849 165 A HA -0.171 4.149 4.320 0.000 0.000 0.217 165 A C 0.433 177.766 177.584 -0.417 0.000 1.202 165 A CA 0.845 52.677 52.037 -0.341 0.000 0.629 165 A CB -1.193 17.458 19.000 -0.582 0.000 0.834 165 A HN 0.353 nan 8.150 nan 0.000 0.447 166 Y N 1.289 121.550 120.300 -0.066 0.000 2.624 166 Y HA 0.303 4.853 4.550 0.000 0.000 0.354 166 Y C 0.241 176.132 175.900 -0.015 0.000 1.051 166 Y CA -0.908 57.169 58.100 -0.039 0.000 1.377 166 Y CB -0.609 37.813 38.460 -0.063 0.000 1.168 166 Y HN 0.361 nan 8.280 nan 0.000 0.525 167 D N 2.696 123.140 120.400 0.073 0.000 2.772 167 D HA -0.151 4.489 4.640 0.000 0.000 0.227 167 D C 1.496 177.817 176.300 0.036 0.000 1.114 167 D CA 0.587 54.614 54.000 0.045 0.000 0.832 167 D CB 0.652 41.480 40.800 0.046 0.000 1.154 167 D HN 0.611 nan 8.370 nan 0.000 0.514 168 R N 2.299 122.812 120.500 0.022 0.000 2.081 168 R HA -0.150 4.190 4.340 0.000 0.000 0.235 168 R C 1.550 177.847 176.300 -0.005 0.000 1.131 168 R CA 1.729 57.839 56.100 0.016 0.000 0.960 168 R CB -0.171 30.138 30.300 0.016 0.000 0.856 168 R HN 0.501 nan 8.270 nan 0.000 0.436 169 T N 1.320 115.863 114.554 -0.017 0.000 2.674 169 T HA -0.125 4.225 4.350 0.000 0.000 0.265 169 T C 1.822 176.475 174.700 -0.078 0.000 1.039 169 T CA 1.461 63.541 62.100 -0.034 0.000 1.150 169 T CB -0.104 68.746 68.868 -0.031 0.000 0.864 169 T HN 0.134 nan 8.240 nan 0.000 0.427 170 M N 1.131 120.649 119.600 -0.137 0.000 2.144 170 M HA -0.041 4.439 4.480 0.000 0.000 0.260 170 M C 2.189 178.321 176.300 -0.279 0.000 1.067 170 M CA 1.465 56.567 55.300 -0.330 0.000 1.095 170 M CB -1.082 31.190 32.600 -0.546 0.000 1.365 170 M HN 0.200 nan 8.290 nan 0.000 0.406 171 R N -0.694 119.733 120.500 -0.121 0.000 2.148 171 R HA -0.099 4.241 4.340 0.000 0.000 0.223 171 R C 2.245 178.556 176.300 0.018 0.000 1.088 171 R CA 0.933 57.017 56.100 -0.027 0.000 0.985 171 R CB -0.142 30.167 30.300 0.015 0.000 0.880 171 R HN 0.554 nan 8.270 nan 0.000 0.451 172 Q N 0.078 119.878 119.800 0.000 0.000 2.020 172 Q HA -0.067 4.273 4.340 0.000 0.000 0.198 172 Q C 2.081 178.103 176.000 0.037 0.000 0.974 172 Q CA 1.171 56.989 55.803 0.025 0.000 0.829 172 Q CB 0.046 28.792 28.738 0.013 0.000 0.894 172 Q HN 0.246 nan 8.270 nan 0.000 0.433 173 R N 0.207 120.707 120.500 -0.001 0.000 2.127 173 R HA -0.125 4.215 4.340 0.000 0.000 0.238 173 R C 2.192 178.535 176.300 0.071 0.000 1.134 173 R CA 1.115 57.220 56.100 0.009 0.000 0.975 173 R CB -0.315 29.954 30.300 -0.051 0.000 0.865 173 R HN 0.203 nan 8.270 nan 0.000 0.447 174 A N 1.131 123.998 122.820 0.079 0.000 1.898 174 A HA -0.098 4.222 4.320 0.000 0.000 0.216 174 A C 2.162 179.987 177.584 0.402 0.000 1.181 174 A CA 0.965 53.163 52.037 0.268 0.000 0.620 174 A CB -0.422 18.771 19.000 0.322 0.000 0.819 174 A HN 0.155 nan 8.150 nan 0.000 0.442 175 L N -0.205 121.169 121.223 0.250 0.000 2.046 175 L HA -0.186 4.154 4.340 0.000 0.000 0.208 175 L C 2.893 179.896 176.870 0.221 0.000 1.077 175 L CA 1.584 56.552 54.840 0.214 0.000 0.747 175 L CB -0.370 41.765 42.059 0.127 0.000 0.896 175 L HN 0.335 nan 8.230 nan 0.000 0.432 176 S N -1.024 114.777 115.700 0.169 0.000 2.356 176 S HA -0.184 4.286 4.470 0.000 0.000 0.223 176 S C 1.986 176.680 174.600 0.157 0.000 1.032 176 S CA 1.832 60.110 58.200 0.131 0.000 1.005 176 S CB -0.456 62.796 63.200 0.087 0.000 0.867 176 S HN 0.429 nan 8.310 nan 0.000 0.449 177 T N 1.217 115.902 114.554 0.217 0.000 2.803 177 T HA -0.154 4.196 4.350 0.000 0.000 0.269 177 T C 1.283 176.122 174.700 0.232 0.000 1.052 177 T CA 0.997 63.246 62.100 0.249 0.000 1.136 177 T CB -0.312 68.778 68.868 0.371 0.000 0.864 177 T HN 0.568 nan 8.240 nan 0.000 0.467 178 W N 1.865 123.183 121.300 0.030 0.000 2.388 178 W HA -0.115 4.545 4.660 0.000 0.000 0.294 178 W C 1.847 178.292 176.519 -0.123 0.000 1.212 178 W CA 1.049 58.266 57.345 -0.213 0.000 1.271 178 W CB -0.057 29.238 29.460 -0.275 0.000 1.126 178 W HN 0.245 nan 8.180 nan 0.000 0.535 179 K N 0.246 120.690 120.400 0.073 0.000 2.062 179 K HA -0.251 4.070 4.320 0.000 0.000 0.205 179 K C 2.077 178.634 176.600 -0.073 0.000 1.051 179 K CA 2.034 58.313 56.287 -0.014 0.000 0.941 179 K CB -0.676 31.858 32.500 0.056 0.000 0.719 179 K HN 0.205 nan 8.250 nan 0.000 0.440 180 Q N 0.505 120.286 119.800 -0.031 0.000 2.234 180 Q HA -0.120 4.220 4.340 0.000 0.000 0.206 180 Q C 1.643 177.587 176.000 -0.093 0.000 0.980 180 Q CA 1.621 57.401 55.803 -0.039 0.000 0.869 180 Q CB -0.275 28.464 28.738 0.002 0.000 0.912 180 Q HN 0.244 nan 8.270 nan 0.000 0.436 181 M N 0.163 119.662 119.600 -0.168 0.000 2.619 181 M HA 0.138 4.619 4.480 0.000 0.000 0.251 181 M C 0.768 176.898 176.300 -0.284 0.000 1.106 181 M CA 0.796 55.950 55.300 -0.244 0.000 1.086 181 M CB 0.140 32.502 32.600 -0.397 0.000 1.465 181 M HN 0.546 nan 8.290 nan 0.000 0.506 182 G N 1.562 110.209 108.800 -0.255 0.000 2.295 182 G HA2 -0.194 3.767 3.960 0.000 0.000 0.287 182 G HA3 -0.194 3.767 3.960 0.000 0.000 0.287 182 G C -0.377 174.342 174.900 -0.301 0.000 1.055 182 G CA -0.210 44.760 45.100 -0.217 0.000 0.922 182 G HN 0.415 nan 8.290 nan 0.000 0.503 183 E N -0.259 119.636 120.200 -0.510 0.000 2.344 183 E HA 0.207 4.557 4.350 0.000 0.000 0.270 183 E C 1.667 178.115 176.600 -0.254 0.000 1.021 183 E CA 0.276 56.301 56.400 -0.625 0.000 0.887 183 E CB 0.787 29.520 29.700 -1.610 0.000 0.997 183 E HN 0.782 nan 8.360 nan 0.000 0.429 184 Q N 3.834 123.549 119.800 -0.141 0.000 1.916 184 Q HA -0.102 4.238 4.340 0.000 0.000 0.203 184 Q C 0.906 176.946 176.000 0.067 0.000 0.983 184 Q CA 0.904 56.691 55.803 -0.027 0.000 0.846 184 Q CB -0.239 28.484 28.738 -0.026 0.000 0.909 184 Q HN 0.276 nan 8.270 nan 0.000 0.427 185 R N 1.461 122.030 120.500 0.116 0.000 2.401 185 R HA 0.044 4.384 4.340 0.000 0.000 0.299 185 R C -0.574 175.906 176.300 0.301 0.000 1.064 185 R CA -0.197 55.992 56.100 0.149 0.000 1.000 185 R CB 0.480 30.849 30.300 0.115 0.000 0.973 185 R HN 0.265 nan 8.270 nan 0.000 0.438 186 E N 3.148 123.460 120.200 0.187 0.000 2.408 186 E HA 0.010 4.360 4.350 0.000 0.000 0.259 186 E C -1.057 175.416 176.600 -0.212 0.000 1.110 186 E CA -0.392 56.107 56.400 0.164 0.000 0.929 186 E CB 0.587 30.335 29.700 0.080 0.000 0.971 186 E HN 0.444 nan 8.360 nan 0.000 0.438 187 L N 4.294 125.142 121.223 -0.625 0.000 2.385 187 L HA 0.126 4.467 4.340 0.000 0.000 0.281 187 L C -0.132 176.504 176.870 -0.390 0.000 1.106 187 L CA 0.272 54.564 54.840 -0.913 0.000 0.856 187 L CB 0.260 41.741 42.059 -0.965 0.000 1.186 187 L HN 0.471 nan 8.230 nan 0.000 0.453 188 Q N 3.835 123.410 119.800 -0.376 0.000 2.526 188 Q HA 0.288 4.628 4.340 0.000 0.000 0.207 188 Q C -0.492 175.408 176.000 -0.167 0.000 1.078 188 Q CA -0.117 55.515 55.803 -0.285 0.000 1.041 188 Q CB 0.910 29.272 28.738 -0.627 0.000 1.228 188 Q HN 0.690 nan 8.270 nan 0.000 0.603 189 E N -1.543 118.636 120.200 -0.036 0.000 2.381 189 E HA 0.560 4.910 4.350 0.000 0.000 0.286 189 E C -1.409 175.273 176.600 0.136 0.000 0.960 189 E CA -0.307 56.110 56.400 0.028 0.000 0.793 189 E CB 1.502 31.215 29.700 0.021 0.000 1.225 189 E HN 0.729 nan 8.360 nan 0.000 0.420 190 G N 1.134 110.002 108.800 0.112 0.000 2.428 190 G HA2 0.291 4.251 3.960 0.000 0.000 0.304 190 G HA3 0.291 4.251 3.960 0.000 0.000 0.304 190 G C -1.232 173.708 174.900 0.067 0.000 1.303 190 G CA -0.605 44.575 45.100 0.133 0.000 0.825 190 G HN 0.326 nan 8.290 nan 0.000 0.484 191 T N 0.775 115.370 114.554 0.068 0.000 2.780 191 T HA 0.427 4.777 4.350 0.000 0.000 0.294 191 T C -0.916 173.852 174.700 0.114 0.000 0.949 191 T CA 0.222 62.359 62.100 0.062 0.000 1.074 191 T CB 0.765 69.662 68.868 0.048 0.000 0.910 191 T HN 0.452 nan 8.240 nan 0.000 0.501 192 Y N 4.022 124.318 120.300 -0.006 0.000 2.326 192 Y HA 0.548 5.099 4.550 0.000 0.000 0.337 192 Y C -0.378 175.544 175.900 0.038 0.000 1.023 192 Y CA -0.826 57.284 58.100 0.016 0.000 1.143 192 Y CB 0.878 39.331 38.460 -0.012 0.000 1.183 192 Y HN 0.415 nan 8.280 nan 0.000 0.485 193 V N 9.429 129.083 119.914 -0.433 0.000 2.347 193 V HA 0.342 4.462 4.120 0.000 0.000 0.280 193 V C -0.423 175.364 176.094 -0.511 0.000 1.021 193 V CA -0.794 61.317 62.300 -0.314 0.000 0.847 193 V CB 0.943 32.656 31.823 -0.184 0.000 0.990 193 V HN 0.972 nan 8.190 nan 0.000 0.444 194 M N 7.379 126.826 119.600 -0.254 0.000 2.211 194 M HA 0.599 5.080 4.480 0.000 0.000 0.356 194 M C -1.536 174.707 176.300 -0.095 0.000 1.216 194 M CA 0.154 55.381 55.300 -0.122 0.000 1.134 194 M CB 1.409 34.028 32.600 0.031 0.000 1.564 194 M HN 0.534 nan 8.290 nan 0.000 0.463 195 V N 4.483 124.374 119.914 -0.039 0.000 2.876 195 V HA 0.649 4.769 4.120 0.000 0.000 0.312 195 V C 0.280 176.417 176.094 0.071 0.000 1.085 195 V CA -0.022 62.279 62.300 0.001 0.000 0.945 195 V CB 1.895 33.712 31.823 -0.010 0.000 1.017 195 V HN 1.101 nan 8.190 nan 0.000 0.428 196 A N 3.480 126.347 122.820 0.079 0.000 1.878 196 A HA 0.452 4.773 4.320 0.000 0.000 0.215 196 A C 1.480 179.171 177.584 0.179 0.000 1.310 196 A CA 0.848 52.962 52.037 0.127 0.000 0.612 196 A CB -1.201 17.854 19.000 0.092 0.000 0.989 196 A HN 1.456 nan 8.150 nan 0.000 0.472 197 G N 0.367 109.236 108.800 0.116 0.000 2.552 197 G HA2 0.127 4.087 3.960 0.000 0.000 0.228 197 G HA3 0.127 4.087 3.960 0.000 0.000 0.228 197 G C -0.935 173.998 174.900 0.056 0.000 1.150 197 G CA 0.233 45.383 45.100 0.083 0.000 0.857 197 G HN 0.372 nan 8.290 nan 0.000 0.512 198 P HA -0.003 nan 4.420 nan 0.000 0.227 198 P C 1.023 178.160 177.300 -0.272 0.000 1.161 198 P CA 0.645 63.538 63.100 -0.344 0.000 0.788 198 P CB 0.107 31.528 31.700 -0.465 0.000 0.822 199 S N -0.227 115.378 115.700 -0.159 0.000 2.600 199 S HA 0.290 4.760 4.470 0.000 0.000 0.265 199 S C 0.137 174.767 174.600 0.051 0.000 1.325 199 S CA -0.538 57.562 58.200 -0.167 0.000 1.002 199 S CB -0.034 63.104 63.200 -0.104 0.000 0.921 199 S HN -0.171 nan 8.310 nan 0.000 0.554 200 F N 1.332 121.252 119.950 -0.051 0.000 2.368 200 F HA 0.364 4.891 4.527 0.000 0.000 0.315 200 F C 1.178 176.966 175.800 -0.020 0.000 1.145 200 F CA -1.653 56.330 58.000 -0.028 0.000 1.095 200 F CB 0.289 39.280 39.000 -0.015 0.000 1.286 200 F HN 0.644 nan 8.300 nan 0.000 0.530 201 E N -0.244 120.063 120.200 0.179 0.000 2.349 201 E HA 0.232 4.582 4.350 0.000 0.000 0.265 201 E C -0.153 176.485 176.600 0.063 0.000 1.064 201 E CA -0.458 55.992 56.400 0.082 0.000 0.886 201 E CB 0.315 30.034 29.700 0.031 0.000 1.036 201 E HN 0.560 nan 8.360 nan 0.000 0.413 202 T N -1.844 112.736 114.554 0.043 0.000 2.816 202 T HA 0.148 4.498 4.350 0.000 0.000 0.282 202 T C 1.465 176.178 174.700 0.022 0.000 0.993 202 T CA -0.617 61.502 62.100 0.033 0.000 0.994 202 T CB 0.882 69.765 68.868 0.025 0.000 1.025 202 T HN 0.237 nan 8.240 nan 0.000 0.529 203 V N 1.612 121.538 119.914 0.020 0.000 2.343 203 V HA -0.134 3.986 4.120 0.000 0.000 0.247 203 V C 3.115 179.217 176.094 0.014 0.000 1.051 203 V CA 2.263 64.573 62.300 0.016 0.000 1.036 203 V CB -1.695 30.140 31.823 0.021 0.000 0.654 203 V HN 1.084 nan 8.190 nan 0.000 0.451 204 A N -0.342 122.488 122.820 0.016 0.000 1.908 204 A HA -0.277 4.043 4.320 0.000 0.000 0.218 204 A C 2.187 179.778 177.584 0.011 0.000 1.181 204 A CA 2.106 54.151 52.037 0.014 0.000 0.627 204 A CB -0.464 18.545 19.000 0.015 0.000 0.818 204 A HN 0.645 nan 8.150 nan 0.000 0.445 205 E N -1.410 118.797 120.200 0.012 0.000 2.107 205 E HA -0.146 4.204 4.350 0.000 0.000 0.191 205 E C 1.973 178.573 176.600 -0.001 0.000 0.982 205 E CA 0.881 57.287 56.400 0.009 0.000 0.809 205 E CB -0.329 29.380 29.700 0.015 0.000 0.756 205 E HN 0.635 nan 8.360 nan 0.000 0.459 206 C N 1.087 120.384 119.300 -0.004 0.000 2.419 206 C HA -0.075 4.386 4.460 0.000 0.000 0.281 206 C C 2.433 177.412 174.990 -0.018 0.000 1.336 206 C CA 0.625 59.633 59.018 -0.017 0.000 1.770 206 C CB -0.859 26.871 27.740 -0.016 0.000 1.929 206 C HN 0.325 nan 8.230 nan 0.000 0.509 207 R N 0.280 120.775 120.500 -0.007 0.000 2.161 207 R HA -0.029 4.311 4.340 0.000 0.000 0.213 207 R C 2.193 178.489 176.300 -0.006 0.000 1.055 207 R CA 1.531 57.628 56.100 -0.006 0.000 0.996 207 R CB -1.129 29.173 30.300 0.003 0.000 0.901 207 R HN 0.639 nan 8.270 nan 0.000 0.456 208 V N -0.476 119.437 119.914 -0.001 0.000 2.379 208 V HA -0.122 3.998 4.120 0.000 0.000 0.245 208 V C 2.002 178.097 176.094 0.001 0.000 1.044 208 V CA 1.300 63.603 62.300 0.005 0.000 1.036 208 V CB -0.461 31.370 31.823 0.013 0.000 0.664 208 V HN -0.029 nan 8.190 nan 0.000 0.453 209 L N 1.203 122.420 121.223 -0.010 0.000 2.083 209 L HA -0.159 4.181 4.340 0.000 0.000 0.209 209 L C 2.856 179.708 176.870 -0.031 0.000 1.083 209 L CA 2.527 57.353 54.840 -0.024 0.000 0.752 209 L CB -1.736 40.296 42.059 -0.046 0.000 0.899 209 L HN 0.720 nan 8.230 nan 0.000 0.433 210 Q N 0.198 119.977 119.800 -0.035 0.000 2.016 210 Q HA -0.234 4.106 4.340 0.000 0.000 0.200 210 Q C 2.074 178.056 176.000 -0.028 0.000 0.978 210 Q CA 1.703 57.480 55.803 -0.044 0.000 0.833 210 Q CB -0.107 28.605 28.738 -0.043 0.000 0.895 210 Q HN 0.405 nan 8.270 nan 0.000 0.427 211 K N -0.025 120.366 120.400 -0.015 0.000 2.147 211 K HA -0.114 4.206 4.320 0.000 0.000 0.205 211 K C 1.924 178.527 176.600 0.004 0.000 1.049 211 K CA 0.966 57.250 56.287 -0.005 0.000 0.936 211 K CB 0.006 32.506 32.500 0.000 0.000 0.722 211 K HN 0.172 nan 8.250 nan 0.000 0.446 212 L N -0.456 120.773 121.223 0.010 0.000 2.465 212 L HA 0.018 4.359 4.340 0.000 0.000 0.224 212 L C 1.389 178.275 176.870 0.026 0.000 1.145 212 L CA 1.563 56.421 54.840 0.030 0.000 0.834 212 L CB -0.517 41.569 42.059 0.045 0.000 0.944 212 L HN 0.508 nan 8.230 nan 0.000 0.451 213 G N -1.978 106.824 108.800 0.003 0.000 2.163 213 G HA2 -0.158 3.802 3.960 0.000 0.000 0.213 213 G HA3 -0.158 3.802 3.960 0.000 0.000 0.213 213 G C 0.509 175.400 174.900 -0.014 0.000 0.991 213 G CA -0.002 45.096 45.100 -0.002 0.000 0.653 213 G HN 0.642 nan 8.290 nan 0.000 0.518 214 A N 0.026 122.829 122.820 -0.027 0.000 2.388 214 A HA 0.616 4.936 4.320 0.000 0.000 0.257 214 A C 0.981 178.517 177.584 -0.079 0.000 1.095 214 A CA 0.697 52.708 52.037 -0.044 0.000 0.791 214 A CB 0.433 19.394 19.000 -0.065 0.000 1.029 214 A HN 0.161 nan 8.150 nan 0.000 0.489 215 D N 0.376 120.738 120.400 -0.063 0.000 2.379 215 D HA 0.320 4.960 4.640 0.000 0.000 0.218 215 D C 0.461 176.724 176.300 -0.062 0.000 1.006 215 D CA 1.422 55.342 54.000 -0.133 0.000 0.893 215 D CB 0.561 41.336 40.800 -0.042 0.000 1.019 215 D HN 0.678 nan 8.370 nan 0.000 0.503 216 A N 0.782 123.622 122.820 0.034 0.000 2.455 216 A HA 0.535 4.855 4.320 0.000 0.000 0.300 216 A C -1.202 176.291 177.584 -0.151 0.000 1.040 216 A CA -0.540 51.531 52.037 0.057 0.000 0.697 216 A CB 2.299 21.448 19.000 0.249 0.000 1.265 216 A HN -0.062 nan 8.150 nan 0.000 0.407 217 V N 1.722 121.527 119.914 -0.182 0.000 2.547 217 V HA 0.931 5.051 4.120 0.000 0.000 0.299 217 V C 0.365 176.285 176.094 -0.290 0.000 1.040 217 V CA 0.777 62.882 62.300 -0.325 0.000 0.913 217 V CB 1.610 33.317 31.823 -0.193 0.000 0.992 217 V HN 1.711 nan 8.190 nan 0.000 0.449 218 G N 4.406 112.958 108.800 -0.413 0.000 2.721 218 G HA2 0.522 4.483 3.960 0.000 0.000 0.296 218 G HA3 0.522 4.483 3.960 0.000 0.000 0.296 218 G C -0.747 174.230 174.900 0.127 0.000 1.383 218 G CA -0.607 44.505 45.100 0.019 0.000 0.788 218 G HN 0.651 nan 8.290 nan 0.000 0.500 219 M N 0.956 120.746 119.600 0.317 0.000 2.603 219 M HA 0.311 4.791 4.480 0.000 0.000 0.380 219 M C 0.342 176.834 176.300 0.320 0.000 1.158 219 M CA -0.244 55.252 55.300 0.326 0.000 0.921 219 M CB 0.922 33.801 32.600 0.465 0.000 1.417 219 M HN 0.609 nan 8.290 nan 0.000 0.523 220 S N -2.720 113.153 115.700 0.289 0.000 3.003 220 S HA 0.651 5.121 4.470 0.000 0.000 0.313 220 S C 0.511 175.142 174.600 0.051 0.000 1.230 220 S CA 0.219 58.478 58.200 0.099 0.000 0.977 220 S CB 1.777 64.957 63.200 -0.032 0.000 1.340 220 S HN 0.179 nan 8.310 nan 0.000 0.608 221 T N 0.353 114.859 114.554 -0.079 0.000 13.097 221 T HA -0.282 4.068 4.350 0.000 0.000 0.418 221 T C 1.406 176.060 174.700 -0.077 0.000 1.446 221 T CA 1.871 63.894 62.100 -0.129 0.000 2.371 221 T CB -2.235 66.450 68.868 -0.305 0.000 2.810 221 T HN 1.077 nan 8.240 nan 0.000 0.655 222 V N 3.144 123.033 119.914 -0.041 0.000 2.278 222 V HA -0.207 3.913 4.120 0.000 0.000 0.251 222 V C -0.234 175.795 176.094 -0.109 0.000 1.062 222 V CA 2.972 65.205 62.300 -0.111 0.000 1.038 222 V CB -1.681 29.989 31.823 -0.254 0.000 0.646 222 V HN 0.459 nan 8.190 nan 0.000 0.447 223 P HA -0.129 nan 4.420 nan 0.000 0.215 223 P C 1.548 178.789 177.300 -0.098 0.000 1.153 223 P CA 1.387 64.434 63.100 -0.088 0.000 0.853 223 P CB -0.000 31.652 31.700 -0.079 0.000 0.788 224 E N -0.914 119.221 120.200 -0.109 0.000 2.107 224 E HA -0.096 4.254 4.350 0.000 0.000 0.191 224 E C 1.978 178.511 176.600 -0.112 0.000 0.982 224 E CA 0.796 57.119 56.400 -0.128 0.000 0.809 224 E CB -0.931 28.686 29.700 -0.139 0.000 0.756 224 E HN -0.003 nan 8.360 nan 0.000 0.459 225 V N 1.191 121.056 119.914 -0.082 0.000 2.295 225 V HA -0.270 3.851 4.120 0.000 0.000 0.246 225 V C 2.187 178.231 176.094 -0.084 0.000 1.049 225 V CA 1.598 63.843 62.300 -0.092 0.000 1.024 225 V CB -0.433 31.374 31.823 -0.027 0.000 0.648 225 V HN 0.288 nan 8.190 nan 0.000 0.447 226 I N 0.463 121.009 120.570 -0.040 0.000 2.163 226 I HA -0.227 3.943 4.170 0.000 0.000 0.243 226 I C 2.528 178.607 176.117 -0.062 0.000 1.085 226 I CA 2.127 63.408 61.300 -0.031 0.000 1.347 226 I CB -0.443 37.541 38.000 -0.027 0.000 1.044 226 I HN 0.388 nan 8.210 nan 0.000 0.408 227 V N -0.146 119.704 119.914 -0.106 0.000 2.871 227 V HA -0.013 4.107 4.120 0.000 0.000 0.256 227 V C 2.379 178.393 176.094 -0.135 0.000 1.082 227 V CA 1.414 63.629 62.300 -0.140 0.000 1.105 227 V CB -0.257 31.435 31.823 -0.217 0.000 0.713 227 V HN 0.309 nan 8.190 nan 0.000 0.473 228 A N 1.036 123.780 122.820 -0.126 0.000 1.855 228 A HA -0.082 4.239 4.320 0.000 0.000 0.215 228 A C 2.333 179.859 177.584 -0.097 0.000 1.191 228 A CA 1.559 53.526 52.037 -0.116 0.000 0.613 228 A CB -0.597 18.341 19.000 -0.104 0.000 0.829 228 A HN 0.486 nan 8.150 nan 0.000 0.442 229 R N -0.572 119.879 120.500 -0.082 0.000 2.096 229 R HA -0.144 4.196 4.340 0.000 0.000 0.235 229 R C 2.113 178.396 176.300 -0.027 0.000 1.127 229 R CA 1.552 57.614 56.100 -0.064 0.000 0.968 229 R CB -1.231 29.028 30.300 -0.068 0.000 0.861 229 R HN 0.859 nan 8.270 nan 0.000 0.440 230 H N -0.100 118.900 119.070 -0.116 0.000 2.421 230 H HA -0.091 4.465 4.556 0.000 0.000 0.298 230 H C 1.348 176.600 175.328 -0.126 0.000 1.087 230 H CA 1.600 57.585 56.048 -0.104 0.000 1.330 230 H CB 0.281 29.973 29.762 -0.117 0.000 1.388 230 H HN 0.141 nan 8.280 nan 0.000 0.526 231 C N -0.016 119.160 119.300 -0.207 0.000 2.481 231 C HA 0.202 4.662 4.460 0.000 0.000 0.275 231 C C 1.797 176.634 174.990 -0.254 0.000 1.419 231 C CA 0.816 59.604 59.018 -0.383 0.000 1.773 231 C CB -0.432 27.003 27.740 -0.509 0.000 1.862 231 C HN 0.879 nan 8.230 nan 0.000 0.530 232 G N 0.351 109.066 108.800 -0.141 0.000 2.131 232 G HA2 -0.172 3.788 3.960 0.000 0.000 0.201 232 G HA3 -0.172 3.788 3.960 0.000 0.000 0.201 232 G C -0.104 174.779 174.900 -0.029 0.000 1.000 232 G CA -0.393 44.666 45.100 -0.069 0.000 0.680 232 G HN 0.474 nan 8.290 nan 0.000 0.514 233 L N 0.196 121.397 121.223 -0.037 0.000 2.395 233 L HA 0.481 4.821 4.340 0.000 0.000 0.269 233 L C 1.296 178.161 176.870 -0.010 0.000 1.133 233 L CA -0.911 53.927 54.840 -0.003 0.000 0.812 233 L CB 0.960 43.016 42.059 -0.005 0.000 1.125 233 L HN 0.358 nan 8.230 nan 0.000 0.452 234 R N 2.011 122.524 120.500 0.021 0.000 2.298 234 R HA 0.490 4.830 4.340 0.000 0.000 0.310 234 R C -1.450 174.880 176.300 0.050 0.000 1.068 234 R CA -0.357 55.767 56.100 0.038 0.000 0.957 234 R CB 0.900 31.243 30.300 0.071 0.000 1.003 234 R HN 0.433 nan 8.270 nan 0.000 0.454 235 V N 6.293 126.219 119.914 0.020 0.000 2.680 235 V HA 0.642 4.762 4.120 0.000 0.000 0.309 235 V C -0.768 175.396 176.094 0.117 0.000 1.052 235 V CA -0.666 61.621 62.300 -0.021 0.000 0.908 235 V CB 1.388 33.101 31.823 -0.182 0.000 1.001 235 V HN 0.804 nan 8.190 nan 0.000 0.431 236 F N 1.453 121.363 119.950 -0.066 0.000 2.665 236 F HA 0.961 5.488 4.527 0.000 0.000 0.308 236 F C -0.281 175.377 175.800 -0.236 0.000 1.112 236 F CA -0.346 57.601 58.000 -0.087 0.000 0.972 236 F CB 1.588 40.512 39.000 -0.127 0.000 1.295 236 F HN 0.798 nan 8.300 nan 0.000 0.440 237 G N 1.339 109.883 108.800 -0.428 0.000 2.682 237 G HA2 0.728 4.689 3.960 0.000 0.000 0.290 237 G HA3 0.728 4.689 3.960 0.000 0.000 0.290 237 G C -2.439 171.847 174.900 -1.023 0.000 1.425 237 G CA -0.989 43.696 45.100 -0.692 0.000 0.807 237 G HN 0.637 nan 8.290 nan 0.000 0.482 238 F N -0.759 119.148 119.950 -0.073 0.000 2.650 238 F HA 0.810 5.337 4.527 0.000 0.000 0.320 238 F C 0.323 176.078 175.800 -0.075 0.000 1.091 238 F CA -0.994 56.977 58.000 -0.048 0.000 0.962 238 F CB 2.565 41.568 39.000 0.006 0.000 1.363 238 F HN 0.407 nan 8.300 nan 0.000 0.482 239 S N 1.243 117.019 115.700 0.127 0.000 2.594 239 S HA 0.542 5.013 4.470 0.000 0.000 0.296 239 S C -1.644 173.002 174.600 0.077 0.000 1.124 239 S CA -0.449 57.801 58.200 0.084 0.000 1.011 239 S CB 1.202 64.470 63.200 0.114 0.000 1.016 239 S HN 0.530 nan 8.310 nan 0.000 0.485 240 L N 6.483 127.752 121.223 0.077 0.000 2.282 240 L HA 0.482 4.822 4.340 0.000 0.000 0.287 240 L C -0.573 176.325 176.870 0.047 0.000 1.075 240 L CA -0.254 54.614 54.840 0.047 0.000 0.839 240 L CB -0.021 42.071 42.059 0.054 0.000 1.219 240 L HN 0.516 nan 8.230 nan 0.000 0.434 241 I N 5.263 125.846 120.570 0.022 0.000 2.691 241 I HA -0.043 4.128 4.170 0.000 0.000 0.288 241 I C 1.588 177.725 176.117 0.033 0.000 1.143 241 I CA 0.582 61.909 61.300 0.045 0.000 1.364 241 I CB -0.597 37.429 38.000 0.043 0.000 1.435 241 I HN 0.754 nan 8.210 nan 0.000 0.551 242 T N 2.392 116.965 114.554 0.031 0.000 3.100 242 T HA 0.089 4.440 4.350 0.000 0.000 0.253 242 T C 0.645 175.346 174.700 0.003 0.000 1.118 242 T CA -0.044 62.066 62.100 0.016 0.000 1.058 242 T CB 0.083 68.961 68.868 0.016 0.000 0.953 242 T HN 0.713 nan 8.240 nan 0.000 0.515 243 N N 0.279 118.979 118.700 -0.001 0.000 3.411 243 N HA 0.243 4.983 4.740 0.000 0.000 0.312 243 N C -2.143 173.362 175.510 -0.008 0.000 1.454 243 N CA -0.874 52.168 53.050 -0.013 0.000 0.863 243 N CB 1.224 39.683 38.487 -0.046 0.000 1.747 243 N HN 0.488 nan 8.380 nan 0.000 0.474 244 K N -1.091 119.295 120.400 -0.024 0.000 2.712 244 K HA 0.636 4.957 4.320 0.000 0.000 0.274 244 K C -2.056 174.526 176.600 -0.029 0.000 1.025 244 K CA -0.892 55.382 56.287 -0.021 0.000 0.904 244 K CB 1.371 33.878 32.500 0.012 0.000 1.392 244 K HN 0.462 nan 8.250 nan 0.000 0.392 245 V N 2.669 122.560 119.914 -0.037 0.000 3.264 245 V HA 0.740 4.860 4.120 0.000 0.000 0.294 245 V C -1.708 174.370 176.094 -0.026 0.000 1.429 245 V CA -0.330 61.953 62.300 -0.028 0.000 1.053 245 V CB 2.085 33.894 31.823 -0.022 0.000 1.128 245 V HN 1.047 nan 8.190 nan 0.000 0.452 246 I N 1.293 121.854 120.570 -0.015 0.000 2.146 246 I HA 0.350 4.520 4.170 0.000 0.000 0.302 246 I C -1.011 175.114 176.117 0.013 0.000 1.481 246 I CA -0.063 61.234 61.300 -0.005 0.000 0.636 246 I CB 0.028 38.022 38.000 -0.010 0.000 2.449 246 I HN 0.473 nan 8.210 nan 0.000 0.713 247 M N 1.857 121.462 119.600 0.008 0.000 1.996 247 M HA 0.485 4.965 4.480 0.000 0.000 0.268 247 M C 0.344 176.657 176.300 0.022 0.000 0.888 247 M CA -0.161 55.153 55.300 0.024 0.000 0.939 247 M CB 0.719 33.303 32.600 -0.025 0.000 1.736 247 M HN 0.261 nan 8.290 nan 0.000 0.407 248 D N 2.134 122.571 120.400 0.062 0.000 2.092 248 D HA -0.202 4.438 4.640 0.000 0.000 0.193 248 D C 0.194 176.544 176.300 0.084 0.000 0.994 248 D CA 1.590 55.627 54.000 0.061 0.000 0.828 248 D CB -0.129 40.712 40.800 0.069 0.000 0.963 248 D HN 0.674 nan 8.370 nan 0.000 0.450 249 Y N 2.743 123.044 120.300 0.000 0.000 2.610 249 Y HA 0.036 4.587 4.550 0.000 0.000 0.344 249 Y C -0.173 175.728 175.900 0.002 0.000 1.249 249 Y CA -0.009 58.092 58.100 0.001 0.000 1.909 249 Y CB -1.067 37.393 38.460 -0.001 0.000 1.758 249 Y HN -0.067 nan 8.280 nan 0.000 0.416 250 E N 2.391 122.519 120.200 -0.120 0.000 3.375 250 E HA -0.226 4.124 4.350 0.000 0.000 0.160 250 E C 0.862 177.355 176.600 -0.180 0.000 1.617 250 E CA 0.780 57.069 56.400 -0.184 0.000 0.787 250 E CB -1.028 28.498 29.700 -0.290 0.000 1.087 250 E HN 0.882 nan 8.360 nan 0.000 0.375 251 S N 1.944 117.591 115.700 -0.089 0.000 2.368 251 S HA -0.189 4.281 4.470 0.000 0.000 0.225 251 S C 1.812 176.373 174.600 -0.064 0.000 1.030 251 S CA 0.905 59.066 58.200 -0.064 0.000 0.999 251 S CB 0.025 63.210 63.200 -0.025 0.000 0.844 251 S HN 1.014 nan 8.310 nan 0.000 0.459 252 L N 0.168 121.357 121.223 -0.056 0.000 5.188 252 L HA -0.241 4.099 4.340 0.000 0.000 0.431 252 L C -0.248 176.607 176.870 -0.025 0.000 1.017 252 L CA 2.071 56.884 54.840 -0.045 0.000 1.195 252 L CB -1.734 40.287 42.059 -0.063 0.000 1.860 252 L HN 0.634 nan 8.230 nan 0.000 0.691 253 E N -2.423 117.767 120.200 -0.017 0.000 2.425 253 E HA 0.643 4.993 4.350 0.000 0.000 0.272 253 E C 0.130 176.737 176.600 0.011 0.000 1.061 253 E CA -0.019 56.381 56.400 -0.000 0.000 0.877 253 E CB 0.767 30.467 29.700 0.000 0.000 1.590 253 E HN 0.094 nan 8.360 nan 0.000 0.462 254 K N -0.496 119.922 120.400 0.031 0.000 2.570 254 K HA 0.699 5.019 4.320 0.000 0.000 0.201 254 K C -0.193 176.470 176.600 0.105 0.000 1.730 254 K CA 0.342 56.661 56.287 0.053 0.000 1.034 254 K CB 0.573 33.099 32.500 0.044 0.000 1.471 254 K HN 0.822 nan 8.250 nan 0.000 0.608 255 A N 0.686 123.571 122.820 0.110 0.000 3.682 255 A HA 0.070 4.390 4.320 0.000 0.000 0.628 255 A C -0.100 177.623 177.584 0.232 0.000 0.718 255 A CA 0.747 52.897 52.037 0.187 0.000 0.282 255 A CB -1.548 17.588 19.000 0.226 0.000 3.621 255 A HN 0.870 nan 8.150 nan 0.000 0.523 256 N N -3.066 115.824 118.700 0.317 0.000 2.532 256 N HA 0.269 5.009 4.740 0.000 0.000 0.324 256 N C 0.501 176.151 175.510 0.233 0.000 0.609 256 N CA 1.151 54.293 53.050 0.153 0.000 1.102 256 N CB 0.257 38.792 38.487 0.081 0.000 2.059 256 N HN 1.680 nan 8.380 nan 0.000 1.570 257 H N -1.383 117.772 119.070 0.141 0.000 1.804 257 H HA 0.079 4.635 4.556 0.000 0.000 0.116 257 H C 0.047 175.433 175.328 0.097 0.000 0.914 257 H CA 1.072 57.199 56.048 0.132 0.000 0.419 257 H CB -0.369 29.415 29.762 0.037 0.000 0.319 257 H HN 0.235 nan 8.280 nan 0.000 0.215 258 E N 1.205 121.436 120.200 0.052 0.000 2.347 258 E HA -0.065 4.285 4.350 0.000 0.000 0.196 258 E C 1.557 178.149 176.600 -0.014 0.000 1.008 258 E CA 1.439 57.833 56.400 -0.011 0.000 0.852 258 E CB -0.054 29.661 29.700 0.024 0.000 0.783 258 E HN 0.706 nan 8.360 nan 0.000 0.505 259 E N 1.036 121.252 120.200 0.027 0.000 2.112 259 E HA -0.080 4.270 4.350 0.000 0.000 0.190 259 E C 1.111 177.713 176.600 0.004 0.000 0.979 259 E CA 0.772 57.190 56.400 0.029 0.000 0.814 259 E CB -0.559 29.181 29.700 0.066 0.000 0.762 259 E HN 0.158 nan 8.360 nan 0.000 0.460 260 V N 3.346 123.256 119.914 -0.006 0.000 2.157 260 V HA 0.170 4.290 4.120 0.000 0.000 0.241 260 V C 0.449 176.489 176.094 -0.090 0.000 1.349 260 V CA 0.177 62.459 62.300 -0.029 0.000 1.319 260 V CB -0.564 31.287 31.823 0.046 0.000 1.421 260 V HN 0.512 nan 8.190 nan 0.000 0.501 261 L N 4.052 125.248 121.223 -0.044 0.000 2.815 261 L HA 0.732 5.072 4.340 0.000 0.000 0.241 261 L C 1.109 177.975 176.870 -0.006 0.000 1.047 261 L CA 0.398 55.217 54.840 -0.035 0.000 0.939 261 L CB -0.221 41.820 42.059 -0.031 0.000 1.490 261 L HN 0.631 nan 8.230 nan 0.000 0.510 262 A N 1.557 124.378 122.820 0.000 0.000 2.303 262 A HA 0.117 4.437 4.320 0.000 0.000 0.286 262 A C 1.277 178.868 177.584 0.011 0.000 1.429 262 A CA 1.057 53.099 52.037 0.010 0.000 0.738 262 A CB -1.975 17.034 19.000 0.016 0.000 1.149 262 A HN 2.201 nan 8.150 nan 0.000 0.364 263 A N -1.537 121.289 122.820 0.009 0.000 2.816 263 A HA 0.207 4.527 4.320 0.000 0.000 0.270 263 A C 1.818 179.408 177.584 0.011 0.000 1.413 263 A CA 1.561 53.604 52.037 0.011 0.000 0.866 263 A CB -2.384 16.625 19.000 0.014 0.000 1.032 263 A HN 3.286 nan 8.150 nan 0.000 0.642 264 G N -0.839 107.965 108.800 0.008 0.000 2.616 264 G HA2 -0.453 3.508 3.960 0.000 0.000 0.361 264 G HA3 -0.453 3.508 3.960 0.000 0.000 0.361 264 G C 0.882 175.792 174.900 0.016 0.000 1.361 264 G CA 1.729 46.834 45.100 0.009 0.000 0.969 264 G HN 1.266 nan 8.290 nan 0.000 0.528 265 K N -0.395 120.014 120.400 0.016 0.000 2.031 265 K HA -0.343 3.977 4.320 0.000 0.000 0.228 265 K C 2.694 179.307 176.600 0.021 0.000 1.050 265 K CA 2.768 59.067 56.287 0.019 0.000 0.980 265 K CB -0.533 31.976 32.500 0.015 0.000 0.738 265 K HN 0.592 nan 8.250 nan 0.000 0.451 266 Q N -0.010 119.801 119.800 0.018 0.000 2.065 266 Q HA -0.260 4.080 4.340 0.000 0.000 0.213 266 Q C 2.175 178.193 176.000 0.028 0.000 1.012 266 Q CA 2.506 58.320 55.803 0.020 0.000 0.876 266 Q CB -0.565 28.182 28.738 0.015 0.000 0.954 266 Q HN 0.530 nan 8.270 nan 0.000 0.413 267 A N 0.066 122.904 122.820 0.030 0.000 1.968 267 A HA 0.082 4.402 4.320 0.000 0.000 0.217 267 A C 2.236 179.847 177.584 0.045 0.000 1.169 267 A CA 1.444 53.503 52.037 0.038 0.000 0.638 267 A CB -0.859 18.158 19.000 0.029 0.000 0.812 267 A HN 0.391 nan 8.150 nan 0.000 0.446 268 A N -0.479 122.365 122.820 0.039 0.000 1.873 268 A HA -0.185 4.135 4.320 0.000 0.000 0.215 268 A C 2.101 179.715 177.584 0.049 0.000 1.186 268 A CA 1.546 53.609 52.037 0.043 0.000 0.616 268 A CB -0.616 18.406 19.000 0.037 0.000 0.823 268 A HN 0.608 nan 8.150 nan 0.000 0.442 269 Q N -0.715 119.111 119.800 0.043 0.000 2.112 269 Q HA -0.259 4.081 4.340 0.000 0.000 0.206 269 Q C 2.128 178.165 176.000 0.062 0.000 0.987 269 Q CA 1.911 57.740 55.803 0.044 0.000 0.858 269 Q CB -0.211 28.546 28.738 0.032 0.000 0.905 269 Q HN 0.588 nan 8.270 nan 0.000 0.420 270 K N 1.001 121.444 120.400 0.071 0.000 2.152 270 K HA -0.114 4.206 4.320 0.000 0.000 0.206 270 K C 1.678 178.383 176.600 0.175 0.000 1.048 270 K CA 0.950 57.302 56.287 0.108 0.000 0.933 270 K CB -0.208 32.365 32.500 0.121 0.000 0.721 270 K HN 0.193 nan 8.250 nan 0.000 0.447 271 L N 0.070 121.375 121.223 0.137 0.000 2.162 271 L HA -0.061 4.279 4.340 0.000 0.000 0.205 271 L C 1.750 178.682 176.870 0.104 0.000 1.086 271 L CA 1.160 56.083 54.840 0.138 0.000 0.778 271 L CB -0.148 41.956 42.059 0.075 0.000 0.928 271 L HN 0.298 nan 8.230 nan 0.000 0.446 272 E N -0.120 120.128 120.200 0.079 0.000 2.077 272 E HA -0.308 4.042 4.350 0.000 0.000 0.193 272 E C 2.021 178.661 176.600 0.067 0.000 0.989 272 E CA 1.677 58.110 56.400 0.055 0.000 0.800 272 E CB -0.056 29.670 29.700 0.044 0.000 0.746 272 E HN 0.682 nan 8.360 nan 0.000 0.452 273 Q N 0.240 120.097 119.800 0.095 0.000 2.096 273 Q HA -0.152 4.188 4.340 0.000 0.000 0.197 273 Q C 2.121 178.220 176.000 0.165 0.000 0.964 273 Q CA 0.945 56.808 55.803 0.100 0.000 0.838 273 Q CB -0.484 28.301 28.738 0.079 0.000 0.906 273 Q HN 0.190 nan 8.270 nan 0.000 0.444 274 F N 2.214 122.173 119.950 0.016 0.000 2.095 274 F HA -0.176 4.351 4.527 0.000 0.000 0.298 274 F C 2.027 177.819 175.800 -0.013 0.000 1.104 274 F CA 0.970 58.983 58.000 0.022 0.000 1.232 274 F CB -0.627 38.405 39.000 0.052 0.000 0.987 274 F HN -0.057 nan 8.300 nan 0.000 0.475 275 V N -0.753 119.079 119.914 -0.137 0.000 2.407 275 V HA -0.283 3.838 4.120 0.000 0.000 0.248 275 V C 2.744 178.816 176.094 -0.037 0.000 1.055 275 V CA 2.062 64.258 62.300 -0.174 0.000 1.049 275 V CB -0.923 30.857 31.823 -0.071 0.000 0.662 275 V HN 0.493 nan 8.190 nan 0.000 0.455 276 S N -0.644 115.064 115.700 0.013 0.000 2.383 276 S HA -0.092 4.378 4.470 0.000 0.000 0.227 276 S C 1.856 176.485 174.600 0.048 0.000 1.026 276 S CA 1.355 59.578 58.200 0.038 0.000 0.981 276 S CB -0.318 62.909 63.200 0.046 0.000 0.818 276 S HN 0.544 nan 8.310 nan 0.000 0.472 277 I N 1.264 121.870 120.570 0.061 0.000 2.361 277 I HA -0.143 4.027 4.170 0.000 0.000 0.251 277 I C 1.750 177.900 176.117 0.055 0.000 1.133 277 I CA 0.971 62.317 61.300 0.078 0.000 1.413 277 I CB -0.286 37.802 38.000 0.146 0.000 1.073 277 I HN 0.285 nan 8.210 nan 0.000 0.424 278 L N -0.219 121.010 121.223 0.010 0.000 2.465 278 L HA -0.120 4.220 4.340 0.000 0.000 0.224 278 L C 2.433 179.339 176.870 0.060 0.000 1.145 278 L CA 0.214 55.058 54.840 0.006 0.000 0.834 278 L CB -0.408 41.626 42.059 -0.041 0.000 0.944 278 L HN 0.288 nan 8.230 nan 0.000 0.451 279 M N -0.136 119.507 119.600 0.071 0.000 2.213 279 M HA -0.163 4.317 4.480 0.000 0.000 0.263 279 M C 2.578 178.917 176.300 0.066 0.000 1.062 279 M CA 1.770 57.120 55.300 0.083 0.000 1.105 279 M CB -1.136 31.510 32.600 0.077 0.000 1.385 279 M HN 0.323 nan 8.290 nan 0.000 0.417 280 A N -0.501 122.350 122.820 0.052 0.000 1.933 280 A HA -0.087 4.233 4.320 0.000 0.000 0.218 280 A C 2.301 179.903 177.584 0.031 0.000 1.175 280 A CA 1.881 53.943 52.037 0.041 0.000 0.628 280 A CB -0.659 18.364 19.000 0.038 0.000 0.814 280 A HN 0.508 nan 8.150 nan 0.000 0.444 281 S N -0.646 115.067 115.700 0.021 0.000 2.603 281 S HA 0.241 4.712 4.470 0.000 0.000 0.220 281 S C 0.431 175.020 174.600 -0.018 0.000 0.967 281 S CA 0.020 58.218 58.200 -0.004 0.000 0.920 281 S CB -0.284 62.902 63.200 -0.024 0.000 0.773 281 S HN 0.458 nan 8.310 nan 0.000 0.529 282 I N 2.897 123.477 120.570 0.016 0.000 2.315 282 I HA 0.272 4.442 4.170 0.000 0.000 0.291 282 I C -2.601 173.539 176.117 0.038 0.000 1.006 282 I CA -2.692 58.629 61.300 0.034 0.000 1.265 282 I CB 1.236 39.300 38.000 0.107 0.000 1.387 282 I HN -0.190 nan 8.210 nan 0.000 0.475 283 P HA -0.036 nan 4.420 nan 0.000 0.261 283 P C -0.588 176.735 177.300 0.039 0.000 1.173 283 P CA 0.012 63.129 63.100 0.028 0.000 0.760 283 P CB 0.213 31.927 31.700 0.023 0.000 0.783 284 L N 6.979 128.224 121.223 0.036 0.000 2.439 284 L HA 0.103 4.443 4.340 0.000 0.000 0.269 284 L C -0.684 176.209 176.870 0.037 0.000 1.179 284 L CA -1.356 53.508 54.840 0.041 0.000 0.828 284 L CB 0.245 42.326 42.059 0.037 0.000 1.106 284 L HN 0.373 nan 8.230 nan 0.000 0.467 285 P HA -0.115 nan 4.420 nan 0.000 0.223 285 P C 0.628 177.946 177.300 0.031 0.000 1.151 285 P CA 0.752 63.874 63.100 0.037 0.000 0.787 285 P CB 0.355 32.080 31.700 0.041 0.000 0.788 286 D N -0.106 120.312 120.400 0.030 0.000 2.322 286 D HA -0.187 4.453 4.640 0.000 0.000 0.210 286 D C 1.438 177.750 176.300 0.020 0.000 0.983 286 D CA 1.617 55.632 54.000 0.024 0.000 0.902 286 D CB -0.088 40.726 40.800 0.024 0.000 0.905 286 D HN 0.055 nan 8.370 nan 0.000 0.483 287 K N -1.808 118.605 120.400 0.021 0.000 3.030 287 K HA -0.251 4.069 4.320 0.000 0.000 0.384 287 K C 0.361 176.971 176.600 0.016 0.000 0.560 287 K CA 1.345 57.642 56.287 0.018 0.000 1.690 287 K CB -1.637 30.872 32.500 0.015 0.000 1.009 287 K HN 0.284 nan 8.250 nan 0.000 0.444 288 A N 0.396 123.225 122.820 0.016 0.000 2.154 288 A HA -0.132 4.188 4.320 0.000 0.000 0.274 288 A C 0.221 177.812 177.584 0.012 0.000 1.373 288 A CA 1.534 53.579 52.037 0.014 0.000 0.751 288 A CB -1.681 17.328 19.000 0.017 0.000 1.149 288 A HN 0.562 nan 8.150 nan 0.000 0.337 289 S N 0.000 115.706 115.700 0.010 0.000 2.498 289 S HA 0.000 4.470 4.470 0.000 0.000 0.327 289 S CA 0.000 58.205 58.200 0.009 0.000 1.107 289 S CB 0.000 63.205 63.200 0.008 0.000 0.593 289 S HN 0.000 nan 8.310 nan 0.000 0.517