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 3cf5_1_S DATA FIRST_RESID 1 DATA SEQUENCE MELTAKPRTP KQKLDESMIA AVAYNKENNV SFALDRKAFD RAFRQQSTTG DATA SEQUENCE LFDITVEGGE TFPALVKAVQ MDKRKRAPIH VDFYMVTYGE PVEVSVPVHT DATA SEQUENCE TGRSQGEVQG GLVDIVVHNL QIVAPGPRRI PQELVVDVTK MNIGDHITAG DATA SEQUENCE DIKLPEGCTL AADPELTVVS VLPPR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.349 176.300 0.082 0.000 1.140 1 M CA 0.000 55.446 55.300 0.244 0.000 0.988 1 M CB 0.000 32.758 32.600 0.263 0.000 1.302 2 E N 2.166 122.396 120.200 0.049 0.000 2.349 2 E HA 0.164 4.514 4.350 -0.000 0.000 0.201 2 E C -0.014 176.576 176.600 -0.017 0.000 1.087 2 E CA -0.510 55.888 56.400 -0.003 0.000 1.128 2 E CB 0.491 30.194 29.700 0.006 0.000 1.188 2 E HN 0.550 nan 8.360 nan 0.000 0.445 3 L N 0.660 121.866 121.223 -0.030 0.000 2.613 3 L HA -0.135 4.205 4.340 -0.000 0.000 0.304 3 L C 0.843 177.718 176.870 0.008 0.000 1.266 3 L CA 1.424 56.255 54.840 -0.014 0.000 0.868 3 L CB 0.601 42.627 42.059 -0.055 0.000 1.111 3 L HN 0.115 nan 8.230 nan 0.000 0.515 4 T N 1.069 115.644 114.554 0.035 0.000 3.280 4 T HA 0.611 4.961 4.350 -0.000 0.000 0.256 4 T C 0.853 175.584 174.700 0.052 0.000 0.995 4 T CA 0.332 62.452 62.100 0.034 0.000 1.144 4 T CB -0.670 68.207 68.868 0.014 0.000 1.140 4 T HN 1.003 nan 8.240 nan 0.000 0.423 5 A N 2.360 125.207 122.820 0.046 0.000 2.260 5 A HA 0.686 5.006 4.320 -0.000 0.000 0.278 5 A C 0.451 178.065 177.584 0.051 0.000 1.269 5 A CA 0.106 52.164 52.037 0.036 0.000 0.824 5 A CB 0.161 19.176 19.000 0.025 0.000 1.238 5 A HN 0.833 nan 8.150 nan 0.000 0.507 6 K N -1.958 118.452 120.400 0.017 0.000 3.315 6 K HA 0.124 4.444 4.320 -0.000 0.000 0.118 6 K C -3.124 173.458 176.600 -0.029 0.000 0.918 6 K CA -0.613 55.666 56.287 -0.014 0.000 0.998 6 K CB -0.605 31.836 32.500 -0.098 0.000 0.629 6 K HN 0.512 nan 8.250 nan 0.000 0.354 7 P HA 0.215 nan 4.420 nan 0.000 0.277 7 P C -0.061 177.235 177.300 -0.006 0.000 1.271 7 P CA -0.459 62.634 63.100 -0.012 0.000 0.795 7 P CB 1.009 32.706 31.700 -0.005 0.000 1.101 8 R N -0.965 119.531 120.500 -0.008 0.000 2.235 8 R HA 0.052 4.392 4.340 -0.000 0.000 0.213 8 R C 0.341 176.642 176.300 0.001 0.000 1.059 8 R CA 0.895 56.993 56.100 -0.004 0.000 0.997 8 R CB -0.524 29.771 30.300 -0.009 0.000 0.884 8 R HN 0.529 nan 8.270 nan 0.000 0.462 9 T N 2.646 117.201 114.554 0.001 0.000 2.747 9 T HA 0.153 4.503 4.350 -0.000 0.000 0.301 9 T C -1.794 172.910 174.700 0.008 0.000 0.952 9 T CA -1.306 60.796 62.100 0.003 0.000 0.983 9 T CB 1.621 70.489 68.868 0.001 0.000 0.930 9 T HN 0.081 nan 8.240 nan 0.000 0.494 10 P HA 0.175 nan 4.420 nan 0.000 0.257 10 P C 1.130 178.437 177.300 0.012 0.000 1.281 10 P CA -0.103 63.007 63.100 0.016 0.000 0.826 10 P CB 0.493 32.205 31.700 0.021 0.000 1.237 11 K N 2.272 122.677 120.400 0.009 0.000 2.000 11 K HA -0.202 4.118 4.320 -0.000 0.000 0.218 11 K C 1.595 178.200 176.600 0.008 0.000 1.053 11 K CA 1.797 58.088 56.287 0.007 0.000 0.946 11 K CB -1.283 31.221 32.500 0.005 0.000 0.723 11 K HN 0.128 nan 8.250 nan 0.000 0.446 12 Q N 0.521 120.327 119.800 0.008 0.000 2.442 12 Q HA -0.137 4.203 4.340 -0.000 0.000 0.185 12 Q C 0.289 176.296 176.000 0.011 0.000 0.869 12 Q CA 1.112 56.920 55.803 0.009 0.000 1.064 12 Q CB -0.337 28.406 28.738 0.009 0.000 1.087 12 Q HN 0.530 nan 8.270 nan 0.000 0.532 13 K N -3.206 117.201 120.400 0.011 0.000 2.639 13 K HA 0.020 4.340 4.320 -0.000 0.000 0.155 13 K C 1.155 177.762 176.600 0.011 0.000 2.086 13 K CA -0.352 55.942 56.287 0.013 0.000 1.353 13 K CB -0.660 31.849 32.500 0.015 0.000 2.331 13 K HN -0.006 nan 8.250 nan 0.000 0.554 14 L N 1.978 123.208 121.223 0.011 0.000 2.171 14 L HA -0.263 4.077 4.340 -0.000 0.000 0.216 14 L C 1.160 178.036 176.870 0.009 0.000 1.084 14 L CA 2.167 57.013 54.840 0.010 0.000 0.771 14 L CB -0.786 41.279 42.059 0.010 0.000 0.890 14 L HN 0.348 nan 8.230 nan 0.000 0.437 15 D N -0.863 119.543 120.400 0.009 0.000 2.232 15 D HA -0.036 4.604 4.640 -0.000 0.000 0.220 15 D C 0.574 176.881 176.300 0.011 0.000 0.982 15 D CA 0.378 54.384 54.000 0.009 0.000 0.892 15 D CB 0.015 40.820 40.800 0.008 0.000 1.040 15 D HN 0.189 nan 8.370 nan 0.000 0.463 16 E N 1.234 121.441 120.200 0.011 0.000 2.498 16 E HA 0.101 4.451 4.350 -0.000 0.000 0.252 16 E C -0.248 176.361 176.600 0.015 0.000 1.025 16 E CA -0.132 56.276 56.400 0.013 0.000 0.938 16 E CB 0.259 29.966 29.700 0.013 0.000 0.947 16 E HN 0.109 nan 8.360 nan 0.000 0.478 17 S N 4.969 120.679 115.700 0.017 0.000 3.364 17 S HA -0.065 4.405 4.470 -0.000 0.000 0.398 17 S C 0.100 174.713 174.600 0.021 0.000 1.011 17 S CA 0.159 58.371 58.200 0.021 0.000 1.756 17 S CB -0.318 62.897 63.200 0.025 0.000 1.100 17 S HN 0.376 nan 8.310 nan 0.000 0.613 18 M N 4.026 123.635 119.600 0.015 0.000 2.296 18 M HA 0.355 4.835 4.480 -0.000 0.000 0.268 18 M C -0.827 175.466 176.300 -0.011 0.000 1.048 18 M CA -0.600 54.706 55.300 0.010 0.000 0.966 18 M CB 1.680 34.288 32.600 0.014 0.000 1.912 18 M HN 0.373 nan 8.290 nan 0.000 0.484 19 I N 1.719 122.263 120.570 -0.043 0.000 3.276 19 I HA 0.728 4.898 4.170 -0.000 0.000 0.306 19 I C 0.669 176.740 176.117 -0.078 0.000 1.060 19 I CA -0.540 60.694 61.300 -0.109 0.000 1.133 19 I CB 0.859 38.687 38.000 -0.287 0.000 1.473 19 I HN 0.801 nan 8.210 nan 0.000 0.649 20 A N 1.334 124.103 122.820 -0.084 0.000 2.446 20 A HA 0.772 5.092 4.320 -0.000 0.000 0.282 20 A C -0.396 177.173 177.584 -0.026 0.000 1.102 20 A CA -0.270 51.770 52.037 0.005 0.000 0.737 20 A CB 1.062 20.113 19.000 0.084 0.000 1.212 20 A HN 0.876 nan 8.150 nan 0.000 0.434 21 A N 1.416 124.223 122.820 -0.022 0.000 2.858 21 A HA 0.992 5.312 4.320 -0.000 0.000 0.232 21 A C -0.200 177.531 177.584 0.245 0.000 1.258 21 A CA -0.101 51.892 52.037 -0.073 0.000 0.909 21 A CB 0.919 19.909 19.000 -0.018 0.000 1.491 21 A HN 2.215 nan 8.150 nan 0.000 0.472 22 V N -4.708 115.395 119.914 0.315 0.000 3.036 22 V HA 0.821 4.941 4.120 -0.000 0.000 0.288 22 V C -0.584 175.727 176.094 0.362 0.000 1.407 22 V CA -0.217 62.377 62.300 0.490 0.000 0.983 22 V CB 0.703 32.801 31.823 0.459 0.000 1.128 22 V HN 2.241 nan 8.190 nan 0.000 0.439 23 A N 2.625 125.706 122.820 0.436 0.000 2.566 23 A HA 1.140 5.460 4.320 -0.000 0.000 0.292 23 A C -1.112 176.447 177.584 -0.042 0.000 1.112 23 A CA -0.289 51.723 52.037 -0.041 0.000 0.707 23 A CB 2.138 21.139 19.000 0.002 0.000 1.302 23 A HN 2.365 nan 8.150 nan 0.000 0.409 24 Y N -1.860 118.515 120.300 0.126 0.000 2.801 24 Y HA 0.594 5.144 4.550 -0.000 0.000 0.307 24 Y C 0.096 175.840 175.900 -0.259 0.000 1.627 24 Y CA -0.308 57.790 58.100 -0.004 0.000 1.089 24 Y CB 0.123 38.619 38.460 0.059 0.000 3.076 24 Y HN 0.707 nan 8.280 nan 0.000 0.342 25 N N -0.710 118.070 118.700 0.132 0.000 2.467 25 N HA 0.081 4.821 4.740 -0.000 0.000 0.316 25 N C 0.255 175.829 175.510 0.107 0.000 0.649 25 N CA 0.684 53.641 53.050 -0.156 0.000 0.731 25 N CB 0.710 39.057 38.487 -0.233 0.000 2.323 25 N HN 0.830 nan 8.380 nan 0.000 1.339 26 K N -1.420 119.021 120.400 0.069 0.000 1.266 26 K HA 0.129 4.449 4.320 -0.000 0.000 0.084 26 K C 0.234 176.845 176.600 0.018 0.000 2.319 26 K CA 0.204 56.522 56.287 0.050 0.000 0.984 26 K CB -0.341 32.197 32.500 0.063 0.000 2.557 26 K HN 0.019 nan 8.250 nan 0.000 0.330 27 E N 1.679 121.881 120.200 0.003 0.000 2.110 27 E HA 0.052 4.402 4.350 -0.000 0.000 0.220 27 E C -0.330 176.266 176.600 -0.007 0.000 0.893 27 E CA 0.571 56.962 56.400 -0.015 0.000 1.027 27 E CB -0.014 29.659 29.700 -0.044 0.000 1.017 27 E HN 0.429 nan 8.360 nan 0.000 0.522 28 N N 1.800 120.489 118.700 -0.019 0.000 2.518 28 N HA 0.103 4.843 4.740 -0.000 0.000 0.283 28 N C -0.736 174.819 175.510 0.074 0.000 1.119 28 N CA -0.027 53.025 53.050 0.003 0.000 0.983 28 N CB 0.556 39.024 38.487 -0.031 0.000 1.139 28 N HN 0.119 nan 8.380 nan 0.000 0.465 29 N N 0.948 119.700 118.700 0.086 0.000 2.679 29 N HA 0.110 4.850 4.740 -0.000 0.000 0.302 29 N C -0.582 174.965 175.510 0.062 0.000 1.941 29 N CA -0.277 52.882 53.050 0.183 0.000 0.875 29 N CB 1.094 39.646 38.487 0.109 0.000 1.278 29 N HN 0.269 nan 8.380 nan 0.000 0.490 30 V N 0.953 120.849 119.914 -0.029 0.000 2.788 30 V HA -0.050 4.070 4.120 -0.000 0.000 0.307 30 V C 1.281 176.878 176.094 -0.828 0.000 1.069 30 V CA 0.314 62.391 62.300 -0.372 0.000 1.173 30 V CB 1.077 32.680 31.823 -0.367 0.000 0.925 30 V HN 0.367 nan 8.190 nan 0.000 0.492 31 S N 3.549 118.859 115.700 -0.650 0.000 2.576 31 S HA 0.578 5.048 4.470 -0.000 0.000 0.276 31 S C -0.782 173.303 174.600 -0.858 0.000 1.339 31 S CA -0.166 57.735 58.200 -0.498 0.000 1.039 31 S CB -0.039 63.024 63.200 -0.229 0.000 0.902 31 S HN 0.416 nan 8.310 nan 0.000 0.516 32 F N 0.695 120.674 119.950 0.047 0.000 2.643 32 F HA 0.699 5.226 4.527 -0.000 0.000 0.314 32 F C -0.048 175.750 175.800 -0.004 0.000 1.096 32 F CA -0.931 57.071 58.000 0.004 0.000 0.953 32 F CB 2.211 41.188 39.000 -0.038 0.000 1.345 32 F HN 0.636 nan 8.300 nan 0.000 0.468 33 A N 2.753 125.704 122.820 0.219 0.000 2.599 33 A HA 0.570 4.890 4.320 -0.000 0.000 0.300 33 A C -1.515 176.100 177.584 0.051 0.000 1.151 33 A CA -0.554 51.540 52.037 0.095 0.000 0.883 33 A CB 0.021 19.063 19.000 0.071 0.000 1.480 33 A HN 0.668 nan 8.150 nan 0.000 0.401 34 L N -0.695 120.531 121.223 0.005 0.000 2.440 34 L HA 0.768 5.108 4.340 -0.000 0.000 0.262 34 L C 0.354 177.234 176.870 0.017 0.000 1.072 34 L CA -0.645 54.195 54.840 0.000 0.000 0.798 34 L CB 0.220 42.267 42.059 -0.020 0.000 1.307 34 L HN 0.478 nan 8.230 nan 0.000 0.475 35 D N -0.031 120.397 120.400 0.047 0.000 2.351 35 D HA 0.079 4.719 4.640 -0.000 0.000 0.251 35 D C 0.813 177.162 176.300 0.082 0.000 1.137 35 D CA -0.197 53.837 54.000 0.057 0.000 0.879 35 D CB 1.281 42.118 40.800 0.062 0.000 1.181 35 D HN 0.698 nan 8.370 nan 0.000 0.448 36 R N 3.939 124.472 120.500 0.056 0.000 2.280 36 R HA -0.216 4.124 4.340 -0.000 0.000 0.209 36 R C 2.061 178.441 176.300 0.133 0.000 1.059 36 R CA 1.768 57.908 56.100 0.066 0.000 0.847 36 R CB -0.299 30.027 30.300 0.043 0.000 0.763 36 R HN 0.578 nan 8.270 nan 0.000 0.452 37 K N -0.234 120.225 120.400 0.098 0.000 2.081 37 K HA -0.327 3.993 4.320 -0.000 0.000 0.222 37 K C 1.912 178.578 176.600 0.109 0.000 1.055 37 K CA 2.526 58.868 56.287 0.093 0.000 0.954 37 K CB -0.524 32.012 32.500 0.060 0.000 0.732 37 K HN 0.458 nan 8.250 nan 0.000 0.458 38 A N 0.716 123.599 122.820 0.105 0.000 1.870 38 A HA -0.263 4.057 4.320 -0.000 0.000 0.219 38 A C 2.115 179.771 177.584 0.120 0.000 1.224 38 A CA 2.150 54.243 52.037 0.093 0.000 0.650 38 A CB -1.240 17.821 19.000 0.102 0.000 0.836 38 A HN 0.635 nan 8.150 nan 0.000 0.454 39 F N 1.198 121.176 119.950 0.047 0.000 2.161 39 F HA -0.226 4.301 4.527 -0.000 0.000 0.300 39 F C 1.730 177.585 175.800 0.092 0.000 1.089 39 F CA 2.120 60.173 58.000 0.088 0.000 1.282 39 F CB -0.169 38.895 39.000 0.105 0.000 1.010 39 F HN 0.297 nan 8.300 nan 0.000 0.485 40 D N 0.087 120.702 120.400 0.358 0.000 2.144 40 D HA -0.207 4.433 4.640 -0.000 0.000 0.199 40 D C 2.176 178.530 176.300 0.090 0.000 0.984 40 D CA 1.362 55.511 54.000 0.249 0.000 0.834 40 D CB -0.516 40.392 40.800 0.181 0.000 0.955 40 D HN 0.357 nan 8.370 nan 0.000 0.465 41 R N 0.209 120.729 120.500 0.034 0.000 2.210 41 R HA 0.181 4.521 4.340 -0.000 0.000 0.203 41 R C 1.734 177.972 176.300 -0.104 0.000 1.010 41 R CA 0.702 56.786 56.100 -0.027 0.000 1.008 41 R CB 0.147 30.433 30.300 -0.023 0.000 0.923 41 R HN 0.111 nan 8.270 nan 0.000 0.469 42 A N 1.017 123.748 122.820 -0.147 0.000 1.909 42 A HA -0.107 4.213 4.320 -0.000 0.000 0.215 42 A C 1.667 179.063 177.584 -0.315 0.000 1.392 42 A CA 0.841 52.714 52.037 -0.273 0.000 0.599 42 A CB -1.244 17.574 19.000 -0.302 0.000 1.029 42 A HN 0.413 nan 8.150 nan 0.000 0.480 43 F N 1.321 120.890 119.950 -0.636 0.000 2.146 43 F HA -0.355 4.172 4.527 -0.000 0.000 0.298 43 F C 2.216 177.830 175.800 -0.309 0.000 1.053 43 F CA 2.442 60.087 58.000 -0.592 0.000 1.285 43 F CB -0.381 38.073 39.000 -0.911 0.000 1.039 43 F HN 0.376 nan 8.300 nan 0.000 0.497 44 R N 0.021 120.315 120.500 -0.343 0.000 2.196 44 R HA -0.294 4.046 4.340 -0.000 0.000 0.234 44 R C 2.315 178.364 176.300 -0.419 0.000 1.113 44 R CA 2.590 58.498 56.100 -0.321 0.000 0.899 44 R CB -0.524 29.684 30.300 -0.154 0.000 0.863 44 R HN 0.408 nan 8.270 nan 0.000 0.430 45 Q N 0.531 120.144 119.800 -0.312 0.000 1.806 45 Q HA -0.218 4.122 4.340 -0.000 0.000 0.277 45 Q C 2.077 177.889 176.000 -0.314 0.000 0.993 45 Q CA 1.677 57.325 55.803 -0.258 0.000 0.888 45 Q CB -1.026 27.594 28.738 -0.196 0.000 0.941 45 Q HN 0.549 nan 8.270 nan 0.000 0.420 46 Q N 1.006 120.635 119.800 -0.284 0.000 2.344 46 Q HA -0.194 4.146 4.340 -0.000 0.000 0.212 46 Q C 1.223 177.034 176.000 -0.314 0.000 0.991 46 Q CA 1.029 56.692 55.803 -0.234 0.000 0.897 46 Q CB -0.210 28.436 28.738 -0.152 0.000 0.915 46 Q HN 0.427 nan 8.270 nan 0.000 0.438 47 S N -0.235 115.064 115.700 -0.667 0.000 3.319 47 S HA -0.268 4.202 4.470 -0.000 0.000 0.619 47 S C 0.431 174.932 174.600 -0.164 0.000 2.833 47 S CA 1.829 59.493 58.200 -0.892 0.000 3.997 47 S CB -0.985 61.917 63.200 -0.495 0.000 0.417 47 S HN 0.665 nan 8.310 nan 0.000 1.244 48 T N -0.404 114.163 114.554 0.021 0.000 3.400 48 T HA 0.616 4.966 4.350 -0.000 0.000 0.362 48 T C -0.008 174.706 174.700 0.023 0.000 1.823 48 T CA 0.529 62.685 62.100 0.095 0.000 1.374 48 T CB -0.140 68.805 68.868 0.127 0.000 1.130 48 T HN 1.531 nan 8.240 nan 0.000 0.744 49 T N -2.042 112.513 114.554 0.001 0.000 5.400 49 T HA 0.301 4.651 4.350 -0.000 0.000 0.310 49 T C 0.096 174.788 174.700 -0.014 0.000 0.919 49 T CA -0.495 61.602 62.100 -0.005 0.000 0.419 49 T CB -1.014 67.840 68.868 -0.024 0.000 0.482 49 T HN 1.045 nan 8.240 nan 0.000 0.210 50 G N 2.041 110.843 108.800 0.003 0.000 2.618 50 G HA2 0.613 4.573 3.960 -0.000 0.000 0.280 50 G HA3 0.613 4.573 3.960 -0.000 0.000 0.280 50 G C -0.699 174.248 174.900 0.079 0.000 1.458 50 G CA -0.950 44.157 45.100 0.013 0.000 1.224 50 G HN 0.727 nan 8.290 nan 0.000 0.576 51 L N 0.428 121.723 121.223 0.120 0.000 2.309 51 L HA 0.949 5.289 4.340 -0.000 0.000 0.282 51 L C -0.956 176.083 176.870 0.281 0.000 1.036 51 L CA -1.077 53.871 54.840 0.180 0.000 0.806 51 L CB 1.742 43.880 42.059 0.131 0.000 1.220 51 L HN 0.302 nan 8.230 nan 0.000 0.429 52 F N 0.406 120.419 119.950 0.105 0.000 2.613 52 F HA 0.468 4.995 4.527 -0.000 0.000 0.314 52 F C -0.562 175.273 175.800 0.058 0.000 1.075 52 F CA -0.813 57.231 58.000 0.074 0.000 0.945 52 F CB 1.776 40.821 39.000 0.074 0.000 1.310 52 F HN 0.532 nan 8.300 nan 0.000 0.467 53 D N 3.867 123.730 120.400 -0.895 0.000 2.472 53 D HA 0.164 4.803 4.640 -0.000 0.000 0.248 53 D C -0.111 175.989 176.300 -0.333 0.000 1.174 53 D CA 1.148 54.776 54.000 -0.620 0.000 0.883 53 D CB 0.420 40.731 40.800 -0.815 0.000 1.149 53 D HN 0.345 nan 8.370 nan 0.000 0.488 54 I N 2.276 122.729 120.570 -0.195 0.000 2.621 54 I HA 0.027 4.197 4.170 -0.000 0.000 0.276 54 I C 0.197 176.146 176.117 -0.280 0.000 1.118 54 I CA -0.222 60.956 61.300 -0.203 0.000 1.159 54 I CB 0.737 38.614 38.000 -0.204 0.000 1.357 54 I HN 0.049 nan 8.210 nan 0.000 0.513 55 T N 4.340 118.744 114.554 -0.250 0.000 3.855 55 T HA 0.179 4.529 4.350 -0.000 0.000 0.306 55 T C 0.579 175.142 174.700 -0.227 0.000 1.575 55 T CA -0.294 61.645 62.100 -0.268 0.000 1.214 55 T CB -0.352 68.406 68.868 -0.183 0.000 1.262 55 T HN 0.126 nan 8.240 nan 0.000 0.883 56 V N 2.382 122.132 119.914 -0.273 0.000 2.752 56 V HA -0.071 4.049 4.120 -0.000 0.000 0.306 56 V C 1.167 177.199 176.094 -0.102 0.000 1.099 56 V CA -0.253 61.970 62.300 -0.130 0.000 1.240 56 V CB -0.099 31.708 31.823 -0.026 0.000 0.887 56 V HN 0.768 nan 8.190 nan 0.000 0.499 57 E N 3.184 123.356 120.200 -0.046 0.000 3.197 57 E HA 0.100 4.450 4.350 -0.000 0.000 0.251 57 E C 1.117 177.688 176.600 -0.048 0.000 0.912 57 E CA 1.035 57.412 56.400 -0.038 0.000 0.960 57 E CB -0.532 29.160 29.700 -0.013 0.000 0.897 57 E HN 1.071 nan 8.360 nan 0.000 0.550 58 G N 2.689 111.456 108.800 -0.056 0.000 2.367 58 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.181 58 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.181 58 G C 0.607 175.464 174.900 -0.073 0.000 1.000 58 G CA -0.117 44.950 45.100 -0.054 0.000 0.693 58 G HN 1.494 nan 8.290 nan 0.000 0.480 59 G N 0.025 108.762 108.800 -0.104 0.000 2.546 59 G HA2 0.145 4.105 3.960 -0.000 0.000 0.285 59 G HA3 0.145 4.105 3.960 -0.000 0.000 0.285 59 G C -0.296 174.514 174.900 -0.150 0.000 1.105 59 G CA 0.581 45.612 45.100 -0.115 0.000 1.189 59 G HN 1.176 nan 8.290 nan 0.000 0.534 60 E N 0.499 120.537 120.200 -0.270 0.000 3.909 60 E HA 0.221 4.571 4.350 -0.000 0.000 0.236 60 E C 0.394 176.602 176.600 -0.654 0.000 1.222 60 E CA -0.569 55.600 56.400 -0.386 0.000 1.205 60 E CB 0.552 29.972 29.700 -0.467 0.000 1.249 60 E HN 0.355 nan 8.360 nan 0.000 0.411 61 T N 1.514 115.882 114.554 -0.310 0.000 2.867 61 T HA -0.047 4.303 4.350 -0.000 0.000 0.290 61 T C -0.151 174.568 174.700 0.032 0.000 1.025 61 T CA 0.962 62.938 62.100 -0.207 0.000 1.146 61 T CB 0.049 68.859 68.868 -0.098 0.000 1.024 61 T HN 0.203 nan 8.240 nan 0.000 0.519 62 F N 4.453 124.347 119.950 -0.093 0.000 2.593 62 F HA 0.528 5.055 4.527 -0.000 0.000 0.320 62 F C -2.149 173.601 175.800 -0.083 0.000 1.060 62 F CA -2.763 55.190 58.000 -0.078 0.000 0.940 62 F CB 3.156 42.104 39.000 -0.087 0.000 1.268 62 F HN 0.318 nan 8.300 nan 0.000 0.475 63 P HA 0.587 nan 4.420 nan 0.000 0.308 63 P C -1.845 175.495 177.300 0.066 0.000 1.457 63 P CA -0.393 62.753 63.100 0.077 0.000 1.041 63 P CB 2.414 34.151 31.700 0.062 0.000 1.101 64 A N 3.008 125.902 122.820 0.123 0.000 2.610 64 A HA 0.735 5.054 4.320 -0.000 0.000 0.291 64 A C -2.126 175.590 177.584 0.221 0.000 1.086 64 A CA -0.561 51.571 52.037 0.158 0.000 0.677 64 A CB 1.225 20.342 19.000 0.195 0.000 1.278 64 A HN 0.447 nan 8.150 nan 0.000 0.414 65 L N 0.589 121.925 121.223 0.189 0.000 2.362 65 L HA 0.576 4.916 4.340 -0.000 0.000 0.271 65 L C -0.339 176.526 176.870 -0.008 0.000 1.002 65 L CA -0.465 54.447 54.840 0.120 0.000 0.818 65 L CB 2.071 44.211 42.059 0.134 0.000 1.298 65 L HN 0.532 nan 8.230 nan 0.000 0.420 66 V N 4.525 124.359 119.914 -0.135 0.000 2.434 66 V HA -0.014 4.106 4.120 -0.000 0.000 0.281 66 V C 1.093 177.114 176.094 -0.122 0.000 1.005 66 V CA 0.084 62.204 62.300 -0.300 0.000 1.089 66 V CB 0.184 31.956 31.823 -0.085 0.000 0.978 66 V HN 0.776 nan 8.190 nan 0.000 0.474 67 K N 4.876 125.193 120.400 -0.139 0.000 2.025 67 K HA 0.453 4.773 4.320 -0.000 0.000 0.211 67 K C 0.579 177.161 176.600 -0.030 0.000 1.029 67 K CA 1.180 57.451 56.287 -0.026 0.000 0.948 67 K CB 0.103 32.636 32.500 0.054 0.000 0.768 67 K HN 0.795 nan 8.250 nan 0.000 0.446 68 A N 0.379 123.178 122.820 -0.036 0.000 2.429 68 A HA 0.550 4.870 4.320 -0.000 0.000 0.289 68 A C -1.547 176.003 177.584 -0.057 0.000 1.043 68 A CA -0.789 51.234 52.037 -0.023 0.000 0.722 68 A CB 1.558 20.583 19.000 0.042 0.000 1.243 68 A HN 0.018 nan 8.150 nan 0.000 0.415 69 V N 2.933 122.777 119.914 -0.117 0.000 2.394 69 V HA 0.468 4.587 4.120 -0.000 0.000 0.282 69 V C -0.473 175.591 176.094 -0.051 0.000 1.031 69 V CA -0.568 61.645 62.300 -0.146 0.000 0.881 69 V CB 1.524 33.179 31.823 -0.280 0.000 0.982 69 V HN 0.829 nan 8.190 nan 0.000 0.451 70 Q N 5.569 125.370 119.800 0.003 0.000 2.413 70 Q HA 0.442 4.782 4.340 -0.000 0.000 0.258 70 Q C -0.381 175.631 176.000 0.019 0.000 1.037 70 Q CA -0.453 55.368 55.803 0.029 0.000 0.764 70 Q CB 1.889 30.667 28.738 0.067 0.000 1.217 70 Q HN 0.857 nan 8.270 nan 0.000 0.490 71 M N -0.523 119.080 119.600 0.004 0.000 2.283 71 M HA 0.458 4.938 4.480 -0.000 0.000 0.314 71 M C -0.024 176.284 176.300 0.013 0.000 1.153 71 M CA -0.464 54.839 55.300 0.006 0.000 1.084 71 M CB 0.390 32.998 32.600 0.013 0.000 1.468 71 M HN 0.165 nan 8.290 nan 0.000 0.474 72 D N 1.782 122.190 120.400 0.013 0.000 2.414 72 D HA 0.211 4.851 4.640 -0.000 0.000 0.242 72 D C -0.476 175.832 176.300 0.012 0.000 1.129 72 D CA 0.254 54.261 54.000 0.012 0.000 0.885 72 D CB 0.833 41.641 40.800 0.012 0.000 1.198 72 D HN 0.464 nan 8.370 nan 0.000 0.437 73 K N 2.308 122.714 120.400 0.010 0.000 2.098 73 K HA 0.385 4.705 4.320 -0.000 0.000 0.244 73 K C 0.946 177.551 176.600 0.008 0.000 1.014 73 K CA -0.715 55.577 56.287 0.008 0.000 0.917 73 K CB 1.091 33.594 32.500 0.006 0.000 1.072 73 K HN 0.439 nan 8.250 nan 0.000 0.477 74 R N -0.526 119.978 120.500 0.008 0.000 4.037 74 R HA -0.240 4.100 4.340 -0.000 0.000 0.418 74 R C -0.609 175.697 176.300 0.010 0.000 0.701 74 R CA 1.805 57.909 56.100 0.007 0.000 1.660 74 R CB -1.196 29.108 30.300 0.007 0.000 2.238 74 R HN 0.617 nan 8.270 nan 0.000 0.429 75 K N 0.550 120.957 120.400 0.012 0.000 2.637 75 K HA 0.332 4.652 4.320 -0.000 0.000 0.248 75 K C -0.010 176.601 176.600 0.018 0.000 0.971 75 K CA -0.692 55.603 56.287 0.015 0.000 0.858 75 K CB 1.593 34.102 32.500 0.014 0.000 1.170 75 K HN 0.061 nan 8.250 nan 0.000 0.443 76 R N 0.789 121.301 120.500 0.021 0.000 2.371 76 R HA -0.092 4.248 4.340 -0.000 0.000 0.226 76 R C 0.684 177.005 176.300 0.034 0.000 1.132 76 R CA 0.705 56.821 56.100 0.028 0.000 1.027 76 R CB -0.611 29.708 30.300 0.031 0.000 0.848 76 R HN 0.553 nan 8.270 nan 0.000 0.479 77 A N 3.442 126.280 122.820 0.030 0.000 2.540 77 A HA 0.154 4.474 4.320 -0.000 0.000 0.239 77 A C -1.941 175.658 177.584 0.025 0.000 1.061 77 A CA -1.015 51.041 52.037 0.032 0.000 0.758 77 A CB -0.026 18.989 19.000 0.025 0.000 0.991 77 A HN 0.059 nan 8.150 nan 0.000 0.502 78 P HA 0.399 nan 4.420 nan 0.000 0.287 78 P C 0.309 177.591 177.300 -0.030 0.000 1.270 78 P CA -0.336 62.761 63.100 -0.004 0.000 0.844 78 P CB 1.872 33.573 31.700 0.001 0.000 1.068 79 I N 0.303 120.853 120.570 -0.033 0.000 4.046 79 I HA 0.223 4.393 4.170 -0.000 0.000 0.285 79 I C 0.044 176.155 176.117 -0.011 0.000 1.183 79 I CA 0.216 61.506 61.300 -0.017 0.000 1.337 79 I CB 0.453 38.464 38.000 0.018 0.000 1.478 79 I HN 0.345 nan 8.210 nan 0.000 0.452 80 H N 0.446 119.462 119.070 -0.091 0.000 2.621 80 H HA 0.741 5.297 4.556 -0.000 0.000 0.360 80 H C -1.288 173.969 175.328 -0.119 0.000 1.163 80 H CA -0.538 55.460 56.048 -0.084 0.000 1.194 80 H CB 1.939 31.685 29.762 -0.028 0.000 1.649 80 H HN -0.082 nan 8.280 nan 0.000 0.532 81 V N 2.527 121.816 119.914 -1.043 0.000 3.130 81 V HA 0.364 4.484 4.120 -0.000 0.000 0.310 81 V C -1.067 174.759 176.094 -0.447 0.000 1.158 81 V CA -0.930 61.023 62.300 -0.578 0.000 1.029 81 V CB 2.295 33.877 31.823 -0.403 0.000 1.057 81 V HN 0.838 nan 8.190 nan 0.000 0.436 82 D N 0.898 121.225 120.400 -0.122 0.000 2.863 82 D HA 0.663 5.303 4.640 -0.000 0.000 0.245 82 D C -1.401 174.887 176.300 -0.019 0.000 1.211 82 D CA 0.021 54.050 54.000 0.049 0.000 0.888 82 D CB 1.773 42.644 40.800 0.118 0.000 1.483 82 D HN 0.250 nan 8.370 nan 0.000 0.533 83 F N 1.520 121.396 119.950 -0.122 0.000 2.458 83 F HA 0.353 4.880 4.527 0.000 0.000 0.336 83 F C -0.449 175.239 175.800 -0.187 0.000 1.114 83 F CA -0.951 56.993 58.000 -0.093 0.000 0.987 83 F CB 1.303 40.239 39.000 -0.107 0.000 1.130 83 F HN 0.247 nan 8.300 nan 0.000 0.458 84 Y N 5.188 125.463 120.300 -0.041 0.000 2.854 84 Y HA 0.380 4.930 4.550 -0.000 0.000 0.330 84 Y C -0.069 175.845 175.900 0.024 0.000 1.037 84 Y CA -1.292 56.772 58.100 -0.061 0.000 1.263 84 Y CB 0.237 38.702 38.460 0.009 0.000 1.120 84 Y HN 0.414 nan 8.280 nan 0.000 0.532 85 M N 5.072 124.503 119.600 -0.282 0.000 2.243 85 M HA -0.107 4.373 4.480 -0.000 0.000 0.446 85 M C 0.040 176.255 176.300 -0.141 0.000 1.421 85 M CA 0.855 56.041 55.300 -0.189 0.000 0.772 85 M CB -0.438 32.012 32.600 -0.250 0.000 2.004 85 M HN 0.285 nan 8.290 nan 0.000 0.525 86 V N 6.062 125.982 119.914 0.010 0.000 2.901 86 V HA -0.061 4.059 4.120 -0.000 0.000 0.307 86 V C 1.451 177.575 176.094 0.051 0.000 1.084 86 V CA 0.340 62.685 62.300 0.074 0.000 1.184 86 V CB 0.467 32.343 31.823 0.087 0.000 0.941 86 V HN 0.966 nan 8.190 nan 0.000 0.493 87 T N 1.406 116.024 114.554 0.108 0.000 3.065 87 T HA 0.111 4.461 4.350 -0.000 0.000 0.234 87 T C 0.697 175.529 174.700 0.220 0.000 1.017 87 T CA 1.621 63.796 62.100 0.124 0.000 1.292 87 T CB 0.004 68.964 68.868 0.154 0.000 1.005 87 T HN 0.854 nan 8.240 nan 0.000 0.423 88 Y N -1.066 119.253 120.300 0.032 0.000 2.740 88 Y HA 0.103 4.653 4.550 -0.000 0.000 0.317 88 Y C 1.447 177.363 175.900 0.027 0.000 0.869 88 Y CA 0.616 58.730 58.100 0.024 0.000 0.988 88 Y CB -0.386 38.083 38.460 0.015 0.000 1.333 88 Y HN 0.238 nan 8.280 nan 0.000 0.524 89 G N 0.223 109.083 108.800 0.099 0.000 3.079 89 G HA2 0.443 4.403 3.960 -0.000 0.000 0.233 89 G HA3 0.443 4.403 3.960 -0.000 0.000 0.233 89 G C -0.433 174.486 174.900 0.032 0.000 1.062 89 G CA 0.407 45.501 45.100 -0.009 0.000 0.809 89 G HN 0.084 nan 8.290 nan 0.000 0.535 90 E N -0.414 119.831 120.200 0.076 0.000 2.506 90 E HA 0.148 4.498 4.350 -0.000 0.000 0.308 90 E C -2.393 174.277 176.600 0.116 0.000 0.931 90 E CA -0.906 55.539 56.400 0.075 0.000 0.800 90 E CB 3.092 32.834 29.700 0.070 0.000 1.292 90 E HN 0.015 nan 8.360 nan 0.000 0.401 91 P HA 0.062 nan 4.420 nan 0.000 0.218 91 P C 0.798 178.181 177.300 0.139 0.000 1.147 91 P CA 1.280 64.490 63.100 0.184 0.000 0.863 91 P CB 1.199 32.985 31.700 0.144 0.000 0.812 92 V N -4.696 115.245 119.914 0.045 0.000 7.215 92 V HA 0.219 4.339 4.120 -0.000 0.000 0.051 92 V C -1.354 174.732 176.094 -0.014 0.000 0.783 92 V CA -0.675 61.614 62.300 -0.018 0.000 0.658 92 V CB -0.450 31.289 31.823 -0.141 0.000 0.833 92 V HN 0.048 nan 8.190 nan 0.000 0.750 93 E N -0.595 119.584 120.200 -0.034 0.000 2.413 93 E HA 0.811 5.161 4.350 -0.000 0.000 0.277 93 E C -1.596 174.991 176.600 -0.022 0.000 0.958 93 E CA -0.485 55.904 56.400 -0.019 0.000 0.779 93 E CB 3.154 32.842 29.700 -0.020 0.000 1.278 93 E HN 0.616 nan 8.360 nan 0.000 0.456 94 V N 0.173 120.082 119.914 -0.008 0.000 3.155 94 V HA 0.542 4.662 4.120 -0.000 0.000 0.313 94 V C -0.651 175.445 176.094 0.004 0.000 1.162 94 V CA -0.965 61.334 62.300 -0.002 0.000 1.048 94 V CB 2.230 34.057 31.823 0.006 0.000 1.092 94 V HN 0.631 nan 8.190 nan 0.000 0.447 95 S N 0.987 116.694 115.700 0.012 0.000 2.498 95 S HA 0.649 5.119 4.470 -0.000 0.000 0.324 95 S C -0.581 174.033 174.600 0.023 0.000 1.071 95 S CA -0.435 57.778 58.200 0.021 0.000 1.113 95 S CB 1.175 64.393 63.200 0.030 0.000 0.976 95 S HN 0.478 nan 8.310 nan 0.000 0.462 96 V N 5.743 125.670 119.914 0.023 0.000 2.495 96 V HA 0.488 4.608 4.120 -0.000 0.000 0.298 96 V C -2.179 173.944 176.094 0.049 0.000 1.031 96 V CA -2.397 59.916 62.300 0.021 0.000 0.871 96 V CB 1.590 33.415 31.823 0.003 0.000 0.988 96 V HN 0.598 nan 8.190 nan 0.000 0.432 97 P HA 0.151 nan 4.420 nan 0.000 0.271 97 P C -0.508 176.938 177.300 0.243 0.000 1.216 97 P CA 0.063 63.265 63.100 0.170 0.000 0.771 97 P CB 1.325 33.202 31.700 0.295 0.000 0.864 98 V N 5.422 125.443 119.914 0.178 0.000 2.498 98 V HA 0.178 4.298 4.120 -0.000 0.000 0.279 98 V C 0.232 176.444 176.094 0.197 0.000 1.048 98 V CA 0.128 62.516 62.300 0.147 0.000 0.967 98 V CB -0.311 31.525 31.823 0.021 0.000 0.988 98 V HN 0.595 nan 8.190 nan 0.000 0.473 99 H N 1.284 120.326 119.070 -0.047 0.000 2.637 99 H HA 0.582 5.138 4.556 -0.000 0.000 0.363 99 H C 0.114 175.416 175.328 -0.043 0.000 1.131 99 H CA -0.391 55.628 56.048 -0.049 0.000 1.183 99 H CB 1.866 31.605 29.762 -0.039 0.000 1.637 99 H HN 0.621 nan 8.280 nan 0.000 0.531 100 T N 1.977 116.551 114.554 0.034 0.000 2.927 100 T HA 0.643 4.993 4.350 -0.000 0.000 0.281 100 T C -0.383 174.332 174.700 0.024 0.000 0.998 100 T CA -0.564 61.541 62.100 0.009 0.000 1.019 100 T CB 0.808 69.657 68.868 -0.031 0.000 1.061 100 T HN 0.792 nan 8.240 nan 0.000 0.518 101 T N -1.661 112.900 114.554 0.013 0.000 3.047 101 T HA 0.626 4.976 4.350 -0.000 0.000 0.340 101 T C -0.164 174.538 174.700 0.003 0.000 1.421 101 T CA -0.444 61.663 62.100 0.011 0.000 1.090 101 T CB 1.094 69.971 68.868 0.015 0.000 1.292 101 T HN 1.234 nan 8.240 nan 0.000 0.480 102 G N 1.587 110.387 108.800 0.001 0.000 3.000 102 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.686 102 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.686 102 G C -0.314 174.584 174.900 -0.002 0.000 1.114 102 G CA -0.340 44.759 45.100 -0.001 0.000 0.902 102 G HN 1.107 nan 8.290 nan 0.000 0.564 103 R N 1.551 122.049 120.500 -0.003 0.000 2.585 103 R HA 0.350 4.690 4.340 -0.000 0.000 0.275 103 R C 0.885 177.183 176.300 -0.003 0.000 1.018 103 R CA 0.570 56.667 56.100 -0.004 0.000 1.072 103 R CB 0.146 30.444 30.300 -0.004 0.000 0.953 103 R HN 0.644 nan 8.270 nan 0.000 0.419 104 S N 3.527 119.225 115.700 -0.003 0.000 2.610 104 S HA 0.094 4.564 4.470 -0.000 0.000 0.273 104 S C -0.340 174.259 174.600 -0.001 0.000 1.274 104 S CA -0.817 57.382 58.200 -0.002 0.000 1.023 104 S CB 1.571 64.770 63.200 -0.002 0.000 0.962 104 S HN 0.636 nan 8.310 nan 0.000 0.523 105 Q N 1.082 120.883 119.800 0.000 0.000 3.027 105 Q HA 0.430 4.770 4.340 -0.000 0.000 0.260 105 Q C 0.964 176.965 176.000 0.002 0.000 1.379 105 Q CA -0.306 55.497 55.803 0.000 0.000 1.038 105 Q CB 0.011 28.749 28.738 -0.000 0.000 1.578 105 Q HN 1.003 nan 8.270 nan 0.000 0.571 106 G N 0.436 109.237 108.800 0.002 0.000 3.755 106 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.180 106 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.180 106 G C 0.748 175.649 174.900 0.002 0.000 1.374 106 G CA -0.136 44.966 45.100 0.004 0.000 0.860 106 G HN 0.400 nan 8.290 nan 0.000 0.743 107 E N 0.645 120.845 120.200 0.000 0.000 1.997 107 E HA -0.080 4.270 4.350 -0.000 0.000 0.201 107 E C 2.515 179.115 176.600 -0.001 0.000 1.011 107 E CA 2.015 58.414 56.400 -0.002 0.000 0.847 107 E CB -0.265 29.433 29.700 -0.004 0.000 0.787 107 E HN 0.047 nan 8.360 nan 0.000 0.472 108 V N 1.133 121.046 119.914 -0.002 0.000 2.278 108 V HA -0.386 3.734 4.120 -0.000 0.000 0.251 108 V C 2.376 178.470 176.094 -0.001 0.000 1.062 108 V CA 2.335 64.634 62.300 -0.001 0.000 1.038 108 V CB -0.703 31.119 31.823 -0.002 0.000 0.646 108 V HN 0.423 nan 8.190 nan 0.000 0.447 109 Q N -0.382 119.418 119.800 -0.000 0.000 1.968 109 Q HA -0.268 4.072 4.340 -0.000 0.000 0.216 109 Q C 1.826 177.827 176.000 0.001 0.000 1.037 109 Q CA 2.175 57.979 55.803 0.001 0.000 0.889 109 Q CB -0.434 28.305 28.738 0.001 0.000 0.998 109 Q HN 0.731 nan 8.270 nan 0.000 0.417 110 G N -1.885 106.917 108.800 0.002 0.000 4.449 110 G HA2 0.249 4.209 3.960 -0.000 0.000 0.195 110 G HA3 0.249 4.209 3.960 -0.000 0.000 0.195 110 G C -0.118 174.784 174.900 0.003 0.000 0.806 110 G CA 0.044 45.146 45.100 0.002 0.000 0.774 110 G HN 0.581 nan 8.290 nan 0.000 0.508 111 G N -0.479 108.323 108.800 0.004 0.000 3.140 111 G HA2 0.703 4.663 3.960 -0.000 0.000 0.271 111 G HA3 0.703 4.663 3.960 -0.000 0.000 0.271 111 G C -1.750 173.151 174.900 0.002 0.000 1.370 111 G CA -0.943 44.160 45.100 0.004 0.000 1.014 111 G HN 0.784 nan 8.290 nan 0.000 0.541 112 L N 0.348 121.572 121.223 0.002 0.000 2.409 112 L HA 0.626 4.966 4.340 -0.000 0.000 0.272 112 L C -0.380 176.488 176.870 -0.003 0.000 0.980 112 L CA -0.672 54.167 54.840 -0.002 0.000 0.826 112 L CB 2.131 44.187 42.059 -0.004 0.000 1.268 112 L HN 0.352 nan 8.230 nan 0.000 0.407 113 V N 3.154 123.064 119.914 -0.007 0.000 2.521 113 V HA 0.251 4.371 4.120 -0.000 0.000 0.286 113 V C -0.134 175.945 176.094 -0.025 0.000 1.034 113 V CA -0.178 62.116 62.300 -0.010 0.000 1.045 113 V CB 0.785 32.601 31.823 -0.011 0.000 0.974 113 V HN 0.793 nan 8.190 nan 0.000 0.480 114 D N 3.788 124.171 120.400 -0.027 0.000 2.256 114 D HA 0.423 5.063 4.640 -0.000 0.000 0.246 114 D C -0.335 175.927 176.300 -0.062 0.000 1.042 114 D CA -0.604 53.371 54.000 -0.042 0.000 0.841 114 D CB 1.505 42.288 40.800 -0.028 0.000 1.223 114 D HN 0.465 nan 8.370 nan 0.000 0.470 115 I N 4.970 125.478 120.570 -0.103 0.000 2.241 115 I HA 0.049 4.219 4.170 -0.000 0.000 0.294 115 I C 1.558 177.618 176.117 -0.095 0.000 1.145 115 I CA -0.504 60.711 61.300 -0.143 0.000 1.261 115 I CB 0.952 38.781 38.000 -0.286 0.000 1.475 115 I HN 0.336 nan 8.210 nan 0.000 0.533 116 V N 5.801 125.686 119.914 -0.048 0.000 2.278 116 V HA -0.204 3.916 4.120 -0.000 0.000 0.251 116 V C 0.990 177.113 176.094 0.049 0.000 1.062 116 V CA 1.679 63.974 62.300 -0.008 0.000 1.038 116 V CB -0.306 31.490 31.823 -0.045 0.000 0.646 116 V HN 0.662 nan 8.190 nan 0.000 0.447 117 V N -2.966 116.965 119.914 0.029 0.000 2.378 117 V HA 0.525 4.645 4.120 -0.000 0.000 0.288 117 V C 0.782 176.919 176.094 0.070 0.000 1.016 117 V CA -0.731 61.615 62.300 0.076 0.000 0.840 117 V CB 1.092 32.939 31.823 0.040 0.000 0.994 117 V HN 0.325 nan 8.190 nan 0.000 0.431 118 H N 3.994 123.056 119.070 -0.013 0.000 2.648 118 H HA 0.074 4.630 4.556 -0.000 0.000 0.306 118 H C 1.257 176.587 175.328 0.004 0.000 1.027 118 H CA 2.523 58.562 56.048 -0.016 0.000 1.201 118 H CB -0.085 29.666 29.762 -0.019 0.000 1.496 118 H HN 0.869 nan 8.280 nan 0.000 0.669 119 N N 0.334 119.133 118.700 0.165 0.000 2.513 119 N HA 0.195 4.935 4.740 -0.000 0.000 0.274 119 N C -1.150 174.404 175.510 0.072 0.000 1.189 119 N CA -0.229 52.882 53.050 0.101 0.000 0.975 119 N CB 0.550 39.090 38.487 0.088 0.000 1.157 119 N HN 0.311 nan 8.380 nan 0.000 0.465 120 L N 1.443 122.698 121.223 0.054 0.000 2.436 120 L HA 0.338 4.678 4.340 -0.000 0.000 0.268 120 L C -0.920 175.966 176.870 0.027 0.000 0.974 120 L CA -0.761 54.101 54.840 0.037 0.000 0.826 120 L CB 1.867 43.945 42.059 0.031 0.000 1.291 120 L HN 0.686 nan 8.230 nan 0.000 0.406 121 Q N 5.078 124.891 119.800 0.021 0.000 2.274 121 Q HA 0.559 4.899 4.340 -0.000 0.000 0.256 121 Q C -1.124 174.881 176.000 0.009 0.000 0.927 121 Q CA -0.533 55.278 55.803 0.013 0.000 0.939 121 Q CB 1.219 29.963 28.738 0.010 0.000 1.201 121 Q HN 0.606 nan 8.270 nan 0.000 0.426 122 I N 0.557 121.130 120.570 0.005 0.000 2.569 122 I HA 0.487 4.657 4.170 -0.000 0.000 0.296 122 I C -0.233 175.885 176.117 0.001 0.000 1.028 122 I CA -1.458 59.844 61.300 0.003 0.000 1.082 122 I CB 1.634 39.635 38.000 0.003 0.000 1.264 122 I HN 0.223 nan 8.210 nan 0.000 0.429 123 V N 4.705 124.619 119.914 0.001 0.000 2.763 123 V HA 0.264 4.384 4.120 -0.000 0.000 0.306 123 V C 1.051 177.146 176.094 0.001 0.000 1.059 123 V CA 0.664 62.964 62.300 0.000 0.000 1.138 123 V CB 0.618 32.443 31.823 0.002 0.000 0.940 123 V HN 1.203 nan 8.190 nan 0.000 0.489 124 A N 6.326 129.147 122.820 0.002 0.000 1.513 124 A HA -0.107 4.213 4.320 -0.000 0.000 0.299 124 A C -1.556 176.029 177.584 0.002 0.000 0.928 124 A CA 0.696 52.736 52.037 0.005 0.000 0.924 124 A CB -0.643 18.361 19.000 0.006 0.000 1.511 124 A HN 0.763 nan 8.150 nan 0.000 0.218 125 P HA 0.359 nan 4.420 nan 0.000 0.213 125 P C 0.714 178.012 177.300 -0.003 0.000 1.100 125 P CA 1.220 64.321 63.100 0.001 0.000 0.956 125 P CB 0.620 32.323 31.700 0.005 0.000 0.843 126 G N 1.800 110.600 108.800 0.001 0.000 3.035 126 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.674 126 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.674 126 G C -3.250 171.642 174.900 -0.013 0.000 1.159 126 G CA -0.839 44.255 45.100 -0.011 0.000 1.098 126 G HN 0.039 nan 8.290 nan 0.000 0.473 127 P HA 0.404 nan 4.420 nan 0.000 0.269 127 P C 0.820 178.096 177.300 -0.039 0.000 1.209 127 P CA 0.569 63.671 63.100 0.003 0.000 0.776 127 P CB 0.668 32.389 31.700 0.035 0.000 0.876 128 R N 0.649 121.137 120.500 -0.019 0.000 2.557 128 R HA -0.128 4.212 4.340 -0.000 0.000 0.344 128 R C -0.497 175.790 176.300 -0.022 0.000 0.359 128 R CA 0.299 56.381 56.100 -0.031 0.000 1.446 128 R CB -1.512 28.737 30.300 -0.084 0.000 1.707 128 R HN 0.405 nan 8.270 nan 0.000 0.276 129 R N 0.778 121.263 120.500 -0.024 0.000 2.734 129 R HA 0.431 4.771 4.340 -0.000 0.000 0.268 129 R C -1.454 174.836 176.300 -0.017 0.000 1.785 129 R CA -0.507 55.581 56.100 -0.021 0.000 1.461 129 R CB 1.236 31.519 30.300 -0.028 0.000 1.308 129 R HN 0.051 nan 8.270 nan 0.000 0.586 130 I N 2.366 122.930 120.570 -0.010 0.000 2.382 130 I HA 0.296 4.466 4.170 -0.000 0.000 0.285 130 I C -2.087 174.019 176.117 -0.017 0.000 1.007 130 I CA -2.491 58.804 61.300 -0.008 0.000 1.142 130 I CB 1.282 39.286 38.000 0.006 0.000 1.289 130 I HN 0.168 nan 8.210 nan 0.000 0.453 131 P HA -0.075 nan 4.420 nan 0.000 0.253 131 P C -0.041 177.230 177.300 -0.050 0.000 1.159 131 P CA 0.096 63.171 63.100 -0.041 0.000 0.779 131 P CB 0.140 31.816 31.700 -0.041 0.000 0.745 132 Q N 3.001 122.763 119.800 -0.062 0.000 2.244 132 Q HA 0.130 4.470 4.340 -0.000 0.000 0.239 132 Q C 0.208 176.141 176.000 -0.112 0.000 0.890 132 Q CA -0.239 55.520 55.803 -0.074 0.000 0.964 132 Q CB -0.101 28.595 28.738 -0.069 0.000 1.076 132 Q HN 0.650 nan 8.270 nan 0.000 0.447 133 E N -0.591 119.528 120.200 -0.135 0.000 1.729 133 E HA 0.345 4.695 4.350 -0.000 0.000 0.220 133 E C -1.770 174.700 176.600 -0.217 0.000 1.866 133 E CA -0.943 55.303 56.400 -0.257 0.000 1.096 133 E CB 0.306 29.773 29.700 -0.389 0.000 1.402 133 E HN 0.075 nan 8.360 nan 0.000 0.619 134 L N 1.370 122.404 121.223 -0.315 0.000 2.932 134 L HA 0.295 4.635 4.340 -0.000 0.000 0.225 134 L C -1.650 175.159 176.870 -0.102 0.000 1.056 134 L CA -0.224 54.528 54.840 -0.146 0.000 1.130 134 L CB 1.074 43.100 42.059 -0.055 0.000 1.367 134 L HN 0.559 nan 8.230 nan 0.000 0.627 135 V N 2.375 122.225 119.914 -0.108 0.000 3.061 135 V HA 0.320 4.440 4.120 -0.000 0.000 0.306 135 V C 0.321 176.422 176.094 0.012 0.000 1.118 135 V CA 0.405 62.695 62.300 -0.017 0.000 1.231 135 V CB 1.233 33.040 31.823 -0.026 0.000 0.956 135 V HN 0.416 nan 8.190 nan 0.000 0.499 136 V N 2.437 122.372 119.914 0.035 0.000 3.012 136 V HA 0.349 4.469 4.120 -0.000 0.000 0.307 136 V C -0.361 175.742 176.094 0.015 0.000 1.166 136 V CA -0.924 61.389 62.300 0.021 0.000 0.974 136 V CB 2.114 33.952 31.823 0.024 0.000 1.040 136 V HN 0.913 nan 8.190 nan 0.000 0.428 137 D N 1.267 121.672 120.400 0.009 0.000 2.363 137 D HA 0.424 5.064 4.640 -0.000 0.000 0.240 137 D C 0.617 176.920 176.300 0.005 0.000 1.236 137 D CA 0.908 54.911 54.000 0.006 0.000 0.927 137 D CB 1.874 42.676 40.800 0.004 0.000 1.150 137 D HN 0.588 nan 8.370 nan 0.000 0.458 138 V N -2.550 117.366 119.914 0.003 0.000 3.034 138 V HA -0.001 4.119 4.120 -0.000 0.000 0.243 138 V C 1.886 177.982 176.094 0.003 0.000 1.717 138 V CA 0.491 62.792 62.300 0.002 0.000 1.035 138 V CB -0.602 31.219 31.823 -0.003 0.000 0.973 138 V HN 0.504 nan 8.190 nan 0.000 0.404 139 T N 3.120 117.675 114.554 0.001 0.000 2.565 139 T HA -0.310 4.040 4.350 -0.000 0.000 0.265 139 T C 1.763 176.464 174.700 0.001 0.000 1.082 139 T CA 3.562 65.663 62.100 0.000 0.000 1.173 139 T CB -0.599 68.269 68.868 -0.000 0.000 0.864 139 T HN 0.901 nan 8.240 nan 0.000 0.425 140 K N 1.412 121.813 120.400 0.001 0.000 2.052 140 K HA -0.170 4.150 4.320 -0.000 0.000 0.215 140 K C 1.045 177.646 176.600 0.002 0.000 1.053 140 K CA 1.266 57.554 56.287 0.001 0.000 0.934 140 K CB -0.934 31.566 32.500 0.000 0.000 0.717 140 K HN 0.346 nan 8.250 nan 0.000 0.450 141 M N 2.434 122.038 119.600 0.006 0.000 2.256 141 M HA -0.074 4.406 4.480 -0.000 0.000 0.392 141 M C 0.357 176.663 176.300 0.009 0.000 1.406 141 M CA 0.502 55.808 55.300 0.011 0.000 0.861 141 M CB -0.062 32.549 32.600 0.018 0.000 1.977 141 M HN 0.324 nan 8.290 nan 0.000 0.492 142 N N 3.305 122.010 118.700 0.008 0.000 2.085 142 N HA 0.419 5.159 4.740 -0.000 0.000 0.129 142 N C 0.096 175.613 175.510 0.011 0.000 1.439 142 N CA -0.182 52.871 53.050 0.006 0.000 1.090 142 N CB 0.301 38.788 38.487 -0.001 0.000 1.171 142 N HN 0.523 nan 8.380 nan 0.000 0.332 143 I N 1.540 122.114 120.570 0.007 0.000 2.204 143 I HA 0.292 4.462 4.170 -0.000 0.000 0.285 143 I C 0.367 176.495 176.117 0.019 0.000 1.112 143 I CA -0.149 61.158 61.300 0.011 0.000 1.502 143 I CB -0.167 37.836 38.000 0.005 0.000 1.499 143 I HN 0.622 nan 8.210 nan 0.000 0.661 144 G N 1.963 110.789 108.800 0.044 0.000 2.327 144 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.159 144 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.159 144 G C -0.642 174.302 174.900 0.075 0.000 1.056 144 G CA -0.868 44.285 45.100 0.088 0.000 0.751 144 G HN 0.418 nan 8.290 nan 0.000 0.488 145 D N 0.886 121.342 120.400 0.092 0.000 2.347 145 D HA 0.423 5.063 4.640 -0.000 0.000 0.235 145 D C 0.679 177.100 176.300 0.202 0.000 1.149 145 D CA 0.155 54.195 54.000 0.067 0.000 0.850 145 D CB 0.224 41.044 40.800 0.032 0.000 1.061 145 D HN 0.603 nan 8.370 nan 0.000 0.487 146 H N 2.132 121.200 119.070 -0.003 0.000 2.487 146 H HA 0.413 4.969 4.556 -0.000 0.000 0.333 146 H C -0.116 175.210 175.328 -0.003 0.000 1.114 146 H CA -1.002 55.044 56.048 -0.003 0.000 1.310 146 H CB 1.733 31.495 29.762 -0.001 0.000 1.462 146 H HN 0.176 nan 8.280 nan 0.000 0.516 147 I N 2.879 123.521 120.570 0.120 0.000 2.466 147 I HA 0.099 4.269 4.170 -0.000 0.000 0.289 147 I C 0.677 176.824 176.117 0.049 0.000 1.026 147 I CA -0.553 60.785 61.300 0.063 0.000 1.078 147 I CB 1.468 39.490 38.000 0.036 0.000 1.249 147 I HN 0.694 nan 8.210 nan 0.000 0.429 148 T N 2.015 116.595 114.554 0.043 0.000 2.937 148 T HA 0.678 5.028 4.350 -0.000 0.000 0.283 148 T C 1.217 175.930 174.700 0.021 0.000 1.012 148 T CA -0.007 62.112 62.100 0.032 0.000 0.997 148 T CB 1.836 70.726 68.868 0.036 0.000 1.136 148 T HN 0.539 nan 8.240 nan 0.000 0.551 149 A N 0.511 123.341 122.820 0.017 0.000 1.933 149 A HA 0.204 4.524 4.320 -0.000 0.000 0.218 149 A C 2.167 179.758 177.584 0.012 0.000 1.175 149 A CA 1.477 53.523 52.037 0.013 0.000 0.628 149 A CB -1.515 17.493 19.000 0.012 0.000 0.814 149 A HN 1.205 nan 8.150 nan 0.000 0.444 150 G N -1.179 107.629 108.800 0.013 0.000 3.262 150 G HA2 0.228 4.188 3.960 -0.000 0.000 0.222 150 G HA3 0.228 4.188 3.960 -0.000 0.000 0.222 150 G C 0.202 175.108 174.900 0.010 0.000 1.269 150 G CA 0.730 45.837 45.100 0.010 0.000 1.032 150 G HN 0.474 nan 8.290 nan 0.000 0.502 151 D N -0.257 120.149 120.400 0.011 0.000 3.050 151 D HA 0.056 4.696 4.640 -0.000 0.000 0.281 151 D C 1.232 177.536 176.300 0.007 0.000 1.246 151 D CA -0.326 53.679 54.000 0.009 0.000 1.073 151 D CB -0.083 40.726 40.800 0.014 0.000 1.382 151 D HN 0.206 nan 8.370 nan 0.000 0.433 152 I N 3.192 123.767 120.570 0.008 0.000 3.015 152 I HA -0.136 4.034 4.170 -0.000 0.000 0.309 152 I C 0.836 176.954 176.117 0.001 0.000 1.229 152 I CA 0.293 61.596 61.300 0.005 0.000 1.430 152 I CB 0.198 38.202 38.000 0.007 0.000 1.347 152 I HN -0.171 nan 8.210 nan 0.000 0.544 153 K N 6.898 127.297 120.400 -0.001 0.000 2.455 153 K HA 0.233 4.553 4.320 -0.000 0.000 0.269 153 K C -0.326 176.270 176.600 -0.006 0.000 0.972 153 K CA 0.038 56.322 56.287 -0.004 0.000 0.938 153 K CB 0.534 33.031 32.500 -0.007 0.000 0.931 153 K HN 0.491 nan 8.250 nan 0.000 0.507 154 L N 2.885 124.103 121.223 -0.007 0.000 2.346 154 L HA 0.282 4.622 4.340 -0.000 0.000 0.274 154 L C -1.693 175.170 176.870 -0.012 0.000 1.007 154 L CA -1.975 52.860 54.840 -0.009 0.000 0.818 154 L CB 1.907 43.963 42.059 -0.006 0.000 1.284 154 L HN 0.470 nan 8.230 nan 0.000 0.424 155 P HA -0.002 nan 4.420 nan 0.000 0.244 155 P C -0.289 177.002 177.300 -0.016 0.000 1.723 155 P CA -0.079 63.010 63.100 -0.019 0.000 1.110 155 P CB 0.070 31.756 31.700 -0.023 0.000 1.972 156 E N 1.202 121.393 120.200 -0.014 0.000 1.626 156 E HA -0.231 4.119 4.350 -0.000 0.000 0.273 156 E C 1.035 177.627 176.600 -0.013 0.000 1.490 156 E CA 0.971 57.364 56.400 -0.013 0.000 0.961 156 E CB -1.080 28.612 29.700 -0.014 0.000 0.824 156 E HN 0.787 nan 8.360 nan 0.000 0.316 157 G N 1.745 110.539 108.800 -0.010 0.000 2.792 157 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.201 157 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.201 157 G C 0.470 175.366 174.900 -0.008 0.000 1.322 157 G CA -0.259 44.835 45.100 -0.010 0.000 0.910 157 G HN 0.728 nan 8.290 nan 0.000 0.535 158 C N 3.198 122.493 119.300 -0.009 0.000 2.550 158 C HA 0.506 4.966 4.460 -0.000 0.000 0.406 158 C C 1.365 176.353 174.990 -0.004 0.000 1.366 158 C CA 1.169 60.184 59.018 -0.006 0.000 1.712 158 C CB -0.362 27.373 27.740 -0.008 0.000 2.613 158 C HN 1.045 nan 8.230 nan 0.000 0.608 159 T N 1.942 116.495 114.554 -0.002 0.000 2.856 159 T HA 0.590 4.940 4.350 -0.000 0.000 0.283 159 T C -0.663 174.038 174.700 0.001 0.000 1.008 159 T CA -0.835 61.265 62.100 0.000 0.000 0.997 159 T CB 0.693 69.561 68.868 0.001 0.000 0.992 159 T HN 0.459 nan 8.240 nan 0.000 0.454 160 L N 3.006 124.230 121.223 0.002 0.000 2.433 160 L HA 0.409 4.748 4.340 -0.000 0.000 0.275 160 L C 1.639 178.511 176.870 0.004 0.000 1.128 160 L CA -0.613 54.230 54.840 0.004 0.000 0.875 160 L CB 0.475 42.537 42.059 0.005 0.000 1.171 160 L HN 1.024 nan 8.230 nan 0.000 0.463 161 A N 3.432 126.254 122.820 0.004 0.000 2.021 161 A HA 0.253 4.573 4.320 -0.000 0.000 0.216 161 A C 1.286 178.873 177.584 0.006 0.000 1.163 161 A CA 0.749 52.788 52.037 0.004 0.000 0.676 161 A CB -0.054 18.947 19.000 0.003 0.000 0.818 161 A HN 0.718 nan 8.150 nan 0.000 0.453 162 A N 0.550 123.374 122.820 0.007 0.000 2.388 162 A HA 0.384 4.704 4.320 -0.000 0.000 0.257 162 A C 0.000 177.589 177.584 0.009 0.000 1.095 162 A CA -0.378 51.664 52.037 0.009 0.000 0.791 162 A CB 0.034 19.041 19.000 0.011 0.000 1.029 162 A HN 0.385 nan 8.150 nan 0.000 0.489 163 D N 2.313 122.719 120.400 0.009 0.000 2.493 163 D HA 0.040 4.680 4.640 -0.000 0.000 0.240 163 D C -1.438 174.869 176.300 0.011 0.000 1.142 163 D CA -0.955 53.051 54.000 0.010 0.000 0.872 163 D CB 0.981 41.787 40.800 0.010 0.000 1.173 163 D HN 0.176 nan 8.370 nan 0.000 0.467 164 P HA -0.128 nan 4.420 nan 0.000 0.210 164 P C 0.762 178.073 177.300 0.017 0.000 1.189 164 P CA 1.138 64.245 63.100 0.013 0.000 0.920 164 P CB 0.106 31.812 31.700 0.011 0.000 0.782 165 E N -0.843 119.368 120.200 0.018 0.000 2.444 165 E HA -0.158 4.192 4.350 -0.000 0.000 0.204 165 E C 0.426 177.044 176.600 0.030 0.000 1.049 165 E CA 0.063 56.478 56.400 0.025 0.000 0.872 165 E CB -0.623 29.091 29.700 0.024 0.000 0.791 165 E HN 0.110 nan 8.360 nan 0.000 0.548 166 L N 2.025 123.261 121.223 0.022 0.000 2.462 166 L HA -0.013 4.327 4.340 -0.000 0.000 0.272 166 L C -0.113 176.767 176.870 0.017 0.000 1.166 166 L CA 0.626 55.476 54.840 0.018 0.000 0.880 166 L CB 0.761 42.827 42.059 0.013 0.000 1.142 166 L HN -0.207 nan 8.230 nan 0.000 0.473 167 T N 5.388 119.946 114.554 0.006 0.000 2.759 167 T HA 0.053 4.403 4.350 -0.000 0.000 0.273 167 T C 1.579 176.269 174.700 -0.018 0.000 0.938 167 T CA -0.233 61.858 62.100 -0.013 0.000 1.197 167 T CB 0.110 68.923 68.868 -0.093 0.000 0.887 167 T HN 0.498 nan 8.240 nan 0.000 0.540 168 V N 3.799 123.712 119.914 -0.003 0.000 2.649 168 V HA 0.052 4.172 4.120 -0.000 0.000 0.248 168 V C 1.033 177.112 176.094 -0.024 0.000 1.054 168 V CA 1.009 63.305 62.300 -0.006 0.000 1.073 168 V CB -0.242 31.583 31.823 0.004 0.000 0.699 168 V HN 0.841 nan 8.190 nan 0.000 0.463 169 V N -3.728 116.171 119.914 -0.024 0.000 3.253 169 V HA 0.894 5.014 4.120 -0.000 0.000 0.300 169 V C -1.086 174.993 176.094 -0.026 0.000 1.398 169 V CA -0.142 62.136 62.300 -0.036 0.000 1.067 169 V CB 1.986 33.790 31.823 -0.031 0.000 1.102 169 V HN 0.048 nan 8.190 nan 0.000 0.455 170 S N 0.161 115.847 115.700 -0.023 0.000 2.583 170 S HA 0.521 4.991 4.470 -0.000 0.000 0.294 170 S C -1.240 173.374 174.600 0.022 0.000 1.121 170 S CA -0.145 58.066 58.200 0.019 0.000 0.910 170 S CB 1.453 64.593 63.200 -0.101 0.000 1.102 170 S HN 1.733 nan 8.310 nan 0.000 0.451 171 V N 5.624 125.570 119.914 0.054 0.000 2.479 171 V HA 0.253 4.373 4.120 -0.000 0.000 0.281 171 V C 0.465 176.579 176.094 0.035 0.000 1.031 171 V CA 0.103 62.422 62.300 0.032 0.000 1.038 171 V CB 0.427 32.269 31.823 0.032 0.000 0.981 171 V HN 0.756 nan 8.190 nan 0.000 0.478 172 L N 8.630 129.862 121.223 0.015 0.000 2.375 172 L HA 0.448 4.788 4.340 -0.000 0.000 0.271 172 L C -1.719 175.160 176.870 0.015 0.000 1.107 172 L CA -1.584 53.264 54.840 0.013 0.000 0.806 172 L CB 1.924 43.984 42.059 0.001 0.000 1.146 172 L HN 0.469 nan 8.230 nan 0.000 0.447 173 P HA 0.266 nan 4.420 nan 0.000 0.279 173 P C -2.597 174.708 177.300 0.009 0.000 1.282 173 P CA -1.145 61.963 63.100 0.014 0.000 0.788 173 P CB -0.287 31.423 31.700 0.017 0.000 1.139 174 P HA 0.091 nan 4.420 nan 0.000 0.306 174 P C -0.441 176.861 177.300 0.005 0.000 1.301 174 P CA -0.186 62.916 63.100 0.005 0.000 0.744 174 P CB 0.195 31.898 31.700 0.004 0.000 1.400 175 R N 0.000 120.502 120.500 0.003 0.000 2.786 175 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 175 R CA 0.000 56.102 56.100 0.003 0.000 0.921 175 R CB 0.000 30.302 30.300 0.004 0.000 0.687 175 R HN 0.000 nan 8.270 nan 0.000 0.535