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 3dll_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 0.000 176.371 176.300 0.118 0.000 1.140 1 M CA 0.000 55.449 55.300 0.248 0.000 0.988 1 M CB 0.000 32.820 32.600 0.367 0.000 1.302 2 E N 3.025 123.263 120.200 0.064 0.000 2.642 2 E HA 0.334 4.684 4.350 -0.000 0.000 0.284 2 E C -0.947 175.640 176.600 -0.023 0.000 1.039 2 E CA -0.632 55.763 56.400 -0.009 0.000 0.777 2 E CB 2.362 32.052 29.700 -0.017 0.000 1.473 2 E HN 0.459 nan 8.360 nan 0.000 0.388 3 L N 2.168 123.351 121.223 -0.066 0.000 2.453 3 L HA 0.133 4.473 4.340 -0.000 0.000 0.274 3 L C 0.791 177.623 176.870 -0.063 0.000 1.270 3 L CA 1.573 56.373 54.840 -0.067 0.000 0.822 3 L CB 0.641 42.591 42.059 -0.182 0.000 1.091 3 L HN 0.851 nan 8.230 nan 0.000 0.546 4 T N -0.769 113.765 114.554 -0.032 0.000 2.616 4 T HA 0.539 4.889 4.350 -0.000 0.000 0.208 4 T C 0.545 175.243 174.700 -0.003 0.000 0.849 4 T CA 0.221 62.306 62.100 -0.025 0.000 1.360 4 T CB -0.236 68.628 68.868 -0.007 0.000 1.829 4 T HN 0.913 nan 8.240 nan 0.000 0.431 5 A N 1.886 124.714 122.820 0.013 0.000 2.611 5 A HA 0.337 4.657 4.320 -0.000 0.000 0.374 5 A C 0.738 178.355 177.584 0.055 0.000 1.346 5 A CA 1.724 53.777 52.037 0.027 0.000 1.309 5 A CB -0.738 18.278 19.000 0.027 0.000 1.177 5 A HN 1.618 nan 8.150 nan 0.000 0.573 6 K N -2.231 118.204 120.400 0.059 0.000 3.487 6 K HA 0.131 4.451 4.320 -0.000 0.000 0.121 6 K C -3.115 173.524 176.600 0.064 0.000 0.968 6 K CA -0.547 55.792 56.287 0.087 0.000 0.907 6 K CB -0.733 31.842 32.500 0.126 0.000 0.678 6 K HN 0.549 nan 8.250 nan 0.000 0.367 7 P HA 0.226 nan 4.420 nan 0.000 0.276 7 P C 0.138 177.451 177.300 0.022 0.000 1.252 7 P CA -0.506 62.612 63.100 0.030 0.000 0.802 7 P CB 1.252 32.964 31.700 0.020 0.000 1.035 8 R N -0.469 120.040 120.500 0.014 0.000 2.117 8 R HA -0.039 4.301 4.340 -0.000 0.000 0.243 8 R C 0.524 176.819 176.300 -0.008 0.000 1.143 8 R CA 1.125 57.225 56.100 0.000 0.000 0.968 8 R CB -0.891 29.408 30.300 -0.002 0.000 0.863 8 R HN 0.590 nan 8.270 nan 0.000 0.444 9 T N 1.852 116.405 114.554 -0.002 0.000 2.902 9 T HA -0.076 4.274 4.350 -0.000 0.000 0.317 9 T C -1.392 173.303 174.700 -0.008 0.000 1.064 9 T CA -0.476 61.621 62.100 -0.004 0.000 1.130 9 T CB 0.667 69.536 68.868 0.002 0.000 1.073 9 T HN 0.254 nan 8.240 nan 0.000 0.524 10 P HA 0.101 nan 4.420 nan 0.000 0.229 10 P C 1.400 178.696 177.300 -0.006 0.000 1.160 10 P CA 0.211 63.302 63.100 -0.015 0.000 0.855 10 P CB 0.241 31.928 31.700 -0.022 0.000 0.898 11 K N 2.046 122.444 120.400 -0.004 0.000 1.974 11 K HA -0.226 4.094 4.320 -0.000 0.000 0.233 11 K C 1.378 177.980 176.600 0.003 0.000 1.017 11 K CA 1.857 58.144 56.287 -0.000 0.000 1.030 11 K CB -1.870 30.631 32.500 0.001 0.000 0.728 11 K HN 0.095 nan 8.250 nan 0.000 0.455 12 Q N 1.319 121.123 119.800 0.006 0.000 1.733 12 Q HA -0.150 4.190 4.340 -0.000 0.000 0.097 12 Q C 0.298 176.305 176.000 0.013 0.000 0.678 12 Q CA 1.313 57.122 55.803 0.010 0.000 1.072 12 Q CB -0.473 28.272 28.738 0.012 0.000 1.425 12 Q HN 0.583 nan 8.270 nan 0.000 0.299 13 K N -3.229 117.177 120.400 0.011 0.000 1.730 13 K HA -0.038 4.282 4.320 -0.000 0.000 0.106 13 K C 1.086 177.692 176.600 0.009 0.000 2.380 13 K CA -0.367 55.928 56.287 0.013 0.000 1.129 13 K CB -0.881 31.628 32.500 0.016 0.000 2.650 13 K HN 0.114 nan 8.250 nan 0.000 0.393 14 L N 2.298 123.524 121.223 0.004 0.000 2.103 14 L HA -0.258 4.081 4.340 -0.000 0.000 0.215 14 L C 1.410 178.283 176.870 0.005 0.000 1.080 14 L CA 2.383 57.224 54.840 0.001 0.000 0.764 14 L CB -0.499 41.558 42.059 -0.002 0.000 0.890 14 L HN 0.418 nan 8.230 nan 0.000 0.435 15 D N -1.244 119.160 120.400 0.007 0.000 2.269 15 D HA -0.022 4.618 4.640 -0.000 0.000 0.220 15 D C 0.635 176.943 176.300 0.012 0.000 0.962 15 D CA 0.444 54.449 54.000 0.008 0.000 0.884 15 D CB -0.128 40.677 40.800 0.007 0.000 1.023 15 D HN 0.228 nan 8.370 nan 0.000 0.484 16 E N 1.592 121.800 120.200 0.014 0.000 2.180 16 E HA 0.152 4.502 4.350 -0.000 0.000 0.283 16 E C -0.104 176.509 176.600 0.021 0.000 1.061 16 E CA -0.271 56.139 56.400 0.018 0.000 0.861 16 E CB 0.756 30.467 29.700 0.018 0.000 1.056 16 E HN 0.002 nan 8.360 nan 0.000 0.407 17 S N 4.572 120.287 115.700 0.025 0.000 2.945 17 S HA -0.010 4.460 4.470 -0.000 0.000 0.344 17 S C 0.075 174.696 174.600 0.035 0.000 1.066 17 S CA -0.127 58.091 58.200 0.030 0.000 1.721 17 S CB -0.524 62.697 63.200 0.035 0.000 1.330 17 S HN 0.304 nan 8.310 nan 0.000 0.623 18 M N 3.910 123.527 119.600 0.028 0.000 2.326 18 M HA 0.499 4.979 4.480 -0.000 0.000 0.292 18 M C -0.583 175.723 176.300 0.010 0.000 1.081 18 M CA -1.068 54.249 55.300 0.028 0.000 0.919 18 M CB 1.549 34.167 32.600 0.031 0.000 1.634 18 M HN 0.352 nan 8.290 nan 0.000 0.451 19 I N 1.797 122.360 120.570 -0.013 0.000 2.532 19 I HA 0.531 4.701 4.170 -0.000 0.000 0.292 19 I C 0.789 176.888 176.117 -0.030 0.000 1.014 19 I CA -0.496 60.763 61.300 -0.070 0.000 1.340 19 I CB 1.343 39.203 38.000 -0.233 0.000 1.422 19 I HN 0.804 nan 8.210 nan 0.000 0.528 20 A N 4.651 127.486 122.820 0.025 0.000 2.322 20 A HA 0.774 5.094 4.320 -0.000 0.000 0.269 20 A C -0.097 177.556 177.584 0.115 0.000 1.094 20 A CA -0.196 51.951 52.037 0.184 0.000 0.807 20 A CB 0.716 19.912 19.000 0.326 0.000 1.047 20 A HN 0.958 nan 8.150 nan 0.000 0.487 21 A N 0.317 123.198 122.820 0.102 0.000 2.589 21 A HA 0.656 4.975 4.320 -0.000 0.000 0.296 21 A C -0.923 176.420 177.584 -0.401 0.000 1.062 21 A CA 0.120 52.115 52.037 -0.071 0.000 0.686 21 A CB 1.249 20.428 19.000 0.297 0.000 1.282 21 A HN 2.278 nan 8.150 nan 0.000 0.404 22 V N -1.217 118.341 119.914 -0.593 0.000 2.655 22 V HA 0.879 4.999 4.120 -0.000 0.000 0.301 22 V C -0.141 175.521 176.094 -0.718 0.000 1.082 22 V CA -0.233 61.383 62.300 -1.140 0.000 0.899 22 V CB 0.904 32.297 31.823 -0.717 0.000 1.014 22 V HN 2.131 nan 8.190 nan 0.000 0.429 23 A N 5.383 127.998 122.820 -0.342 0.000 2.276 23 A HA 0.979 5.299 4.320 -0.000 0.000 0.316 23 A C -0.666 176.979 177.584 0.103 0.000 1.229 23 A CA -0.458 51.692 52.037 0.188 0.000 0.851 23 A CB 0.605 19.959 19.000 0.590 0.000 1.165 23 A HN 1.477 nan 8.150 nan 0.000 0.513 24 Y N 0.619 121.032 120.300 0.188 0.000 2.857 24 Y HA 0.757 5.307 4.550 -0.000 0.000 0.318 24 Y C 0.355 176.296 175.900 0.069 0.000 1.313 24 Y CA -1.368 56.811 58.100 0.132 0.000 1.117 24 Y CB 0.755 39.297 38.460 0.138 0.000 1.344 24 Y HN 0.728 nan 8.280 nan 0.000 0.525 25 N N -1.975 116.909 118.700 0.305 0.000 2.512 25 N HA 0.021 4.761 4.740 -0.000 0.000 0.295 25 N C 0.252 175.847 175.510 0.142 0.000 0.782 25 N CA 0.396 53.536 53.050 0.150 0.000 1.097 25 N CB 0.508 38.904 38.487 -0.151 0.000 2.295 25 N HN 0.631 nan 8.380 nan 0.000 1.297 26 K N -1.465 118.982 120.400 0.079 0.000 1.130 26 K HA 0.055 4.375 4.320 -0.000 0.000 0.075 26 K C -0.197 176.421 176.600 0.028 0.000 2.356 26 K CA 0.421 56.740 56.287 0.053 0.000 0.970 26 K CB -0.349 32.180 32.500 0.047 0.000 2.609 26 K HN 0.143 nan 8.250 nan 0.000 0.319 27 E N 0.812 121.015 120.200 0.004 0.000 2.340 27 E HA 0.091 4.441 4.350 -0.000 0.000 0.198 27 E C -0.463 176.130 176.600 -0.012 0.000 0.961 27 E CA 0.488 56.875 56.400 -0.021 0.000 0.905 27 E CB 0.557 30.215 29.700 -0.070 0.000 0.884 27 E HN 0.362 nan 8.360 nan 0.000 0.491 28 N N 0.212 118.919 118.700 0.012 0.000 2.452 28 N HA 0.176 4.916 4.740 -0.000 0.000 0.277 28 N C -0.749 174.850 175.510 0.147 0.000 1.078 28 N CA -0.435 52.649 53.050 0.056 0.000 0.947 28 N CB 1.071 39.552 38.487 -0.010 0.000 1.655 28 N HN -0.178 nan 8.380 nan 0.000 0.490 29 N N 0.615 119.416 118.700 0.168 0.000 2.241 29 N HA 0.104 4.844 4.740 -0.000 0.000 0.238 29 N C 0.059 175.660 175.510 0.152 0.000 1.244 29 N CA -0.041 53.112 53.050 0.173 0.000 0.880 29 N CB 1.420 40.004 38.487 0.162 0.000 1.179 29 N HN 0.338 nan 8.380 nan 0.000 0.513 30 V N 1.498 121.585 119.914 0.289 0.000 3.289 30 V HA -0.203 3.917 4.120 -0.000 0.000 0.267 30 V C 0.918 177.279 176.094 0.445 0.000 1.484 30 V CA 0.697 63.230 62.300 0.389 0.000 1.484 30 V CB 0.104 32.186 31.823 0.432 0.000 1.018 30 V HN 0.215 nan 8.190 nan 0.000 0.530 31 S N 2.846 118.774 115.700 0.380 0.000 2.513 31 S HA 0.629 5.099 4.470 -0.000 0.000 0.276 31 S C -0.397 174.581 174.600 0.629 0.000 1.254 31 S CA -0.311 58.090 58.200 0.336 0.000 1.053 31 S CB 0.326 63.628 63.200 0.171 0.000 0.958 31 S HN 0.452 nan 8.310 nan 0.000 0.491 32 F N 0.713 120.684 119.950 0.035 0.000 2.732 32 F HA 0.853 5.380 4.527 -0.000 0.000 0.394 32 F C 0.268 176.081 175.800 0.021 0.000 1.194 32 F CA -1.461 56.553 58.000 0.024 0.000 1.127 32 F CB 1.198 40.212 39.000 0.023 0.000 1.470 32 F HN 0.595 nan 8.300 nan 0.000 0.505 33 A N 1.641 124.605 122.820 0.239 0.000 1.320 33 A HA 0.449 4.769 4.320 -0.000 0.000 0.218 33 A C -1.802 175.832 177.584 0.083 0.000 0.940 33 A CA -0.720 51.392 52.037 0.126 0.000 0.663 33 A CB -0.352 18.700 19.000 0.087 0.000 0.547 33 A HN 0.867 nan 8.150 nan 0.000 0.322 34 L N -0.319 120.951 121.223 0.079 0.000 2.461 34 L HA 0.900 5.240 4.340 -0.000 0.000 0.242 34 L C -0.254 176.659 176.870 0.072 0.000 1.143 34 L CA -0.515 54.366 54.840 0.068 0.000 0.984 34 L CB 0.393 42.501 42.059 0.080 0.000 1.573 34 L HN 0.584 nan 8.230 nan 0.000 0.404 35 D N 0.807 121.260 120.400 0.088 0.000 2.343 35 D HA 0.105 4.745 4.640 -0.000 0.000 0.255 35 D C 0.756 177.139 176.300 0.137 0.000 1.187 35 D CA -0.118 53.939 54.000 0.096 0.000 0.875 35 D CB 1.284 42.138 40.800 0.090 0.000 1.136 35 D HN 0.699 nan 8.370 nan 0.000 0.469 36 R N 4.899 125.464 120.500 0.108 0.000 2.089 36 R HA -0.172 4.168 4.340 -0.000 0.000 0.222 36 R C 1.963 178.373 176.300 0.183 0.000 1.151 36 R CA 1.395 57.574 56.100 0.131 0.000 0.908 36 R CB -0.482 29.866 30.300 0.079 0.000 0.813 36 R HN 0.658 nan 8.270 nan 0.000 0.440 37 K N 0.032 120.505 120.400 0.122 0.000 2.097 37 K HA -0.327 3.993 4.320 -0.000 0.000 0.217 37 K C 1.787 178.456 176.600 0.115 0.000 0.806 37 K CA 3.067 59.416 56.287 0.102 0.000 1.017 37 K CB -0.952 31.592 32.500 0.072 0.000 0.803 37 K HN 0.388 nan 8.250 nan 0.000 0.628 38 A N 0.036 122.919 122.820 0.106 0.000 1.978 38 A HA -0.155 4.165 4.320 -0.000 0.000 0.220 38 A C 2.090 179.727 177.584 0.087 0.000 1.170 38 A CA 1.792 53.874 52.037 0.076 0.000 0.636 38 A CB -0.775 18.268 19.000 0.071 0.000 0.810 38 A HN 0.633 nan 8.150 nan 0.000 0.448 39 F N 1.026 121.012 119.950 0.060 0.000 2.060 39 F HA -0.152 4.375 4.527 -0.000 0.000 0.295 39 F C 1.725 177.587 175.800 0.102 0.000 1.120 39 F CA 2.040 60.095 58.000 0.091 0.000 1.205 39 F CB -0.181 38.887 39.000 0.115 0.000 0.986 39 F HN 0.211 nan 8.300 nan 0.000 0.470 40 D N 0.101 120.733 120.400 0.387 0.000 2.271 40 D HA -0.214 4.426 4.640 -0.000 0.000 0.207 40 D C 2.181 178.543 176.300 0.103 0.000 0.983 40 D CA 0.966 55.132 54.000 0.277 0.000 0.878 40 D CB -0.467 40.458 40.800 0.209 0.000 0.920 40 D HN 0.356 nan 8.370 nan 0.000 0.479 41 R N 0.010 120.534 120.500 0.041 0.000 2.240 41 R HA 0.130 4.470 4.340 -0.000 0.000 0.203 41 R C 1.372 177.613 176.300 -0.098 0.000 1.011 41 R CA 0.995 57.083 56.100 -0.019 0.000 1.007 41 R CB 0.265 30.558 30.300 -0.011 0.000 0.911 41 R HN 0.115 nan 8.270 nan 0.000 0.468 42 A N 0.004 122.714 122.820 -0.184 0.000 2.074 42 A HA 0.064 4.384 4.320 -0.000 0.000 0.200 42 A C 1.350 178.752 177.584 -0.304 0.000 1.335 42 A CA -0.377 51.495 52.037 -0.275 0.000 0.922 42 A CB -0.362 18.421 19.000 -0.362 0.000 0.972 42 A HN 0.368 nan 8.150 nan 0.000 0.475 43 F N 1.302 120.922 119.950 -0.550 0.000 2.529 43 F HA -0.027 4.500 4.527 -0.000 0.000 0.297 43 F C 1.791 177.483 175.800 -0.180 0.000 1.114 43 F CA 1.193 58.945 58.000 -0.415 0.000 1.467 43 F CB -0.208 38.572 39.000 -0.366 0.000 1.096 43 F HN 0.190 nan 8.300 nan 0.000 0.586 44 R N -0.608 119.687 120.500 -0.341 0.000 2.210 44 R HA -0.038 4.302 4.340 -0.000 0.000 0.203 44 R C 1.916 178.046 176.300 -0.284 0.000 1.010 44 R CA 0.728 56.630 56.100 -0.331 0.000 1.008 44 R CB 0.143 30.349 30.300 -0.157 0.000 0.923 44 R HN 0.320 nan 8.270 nan 0.000 0.469 45 Q N -0.081 119.568 119.800 -0.251 0.000 2.159 45 Q HA -0.029 4.311 4.340 -0.000 0.000 0.194 45 Q C 1.832 177.717 176.000 -0.192 0.000 0.968 45 Q CA 1.070 56.757 55.803 -0.193 0.000 0.837 45 Q CB -0.365 28.267 28.738 -0.176 0.000 0.920 45 Q HN 0.324 nan 8.270 nan 0.000 0.485 46 Q N 0.979 120.661 119.800 -0.197 0.000 2.062 46 Q HA 0.031 4.371 4.340 -0.000 0.000 0.196 46 Q C 0.692 176.616 176.000 -0.127 0.000 0.967 46 Q CA 0.812 56.544 55.803 -0.119 0.000 0.832 46 Q CB 0.171 28.868 28.738 -0.069 0.000 0.899 46 Q HN 0.317 nan 8.270 nan 0.000 0.442 47 S N -0.759 114.777 115.700 -0.274 0.000 3.381 47 S HA -0.264 4.206 4.470 -0.000 0.000 0.636 47 S C 1.236 175.916 174.600 0.134 0.000 2.614 47 S CA 1.287 59.230 58.200 -0.428 0.000 2.810 47 S CB -1.217 61.735 63.200 -0.414 0.000 0.331 47 S HN 0.702 nan 8.310 nan 0.000 1.788 48 T N -0.892 113.788 114.554 0.208 0.000 2.822 48 T HA -0.057 4.293 4.350 -0.000 0.000 0.270 48 T C 1.291 176.074 174.700 0.138 0.000 1.064 48 T CA 2.283 64.510 62.100 0.211 0.000 1.131 48 T CB -1.230 67.728 68.868 0.150 0.000 0.858 48 T HN 1.642 nan 8.240 nan 0.000 0.483 49 T N -1.248 113.355 114.554 0.081 0.000 3.268 49 T HA 0.627 4.977 4.350 -0.000 0.000 0.258 49 T C 0.306 175.044 174.700 0.063 0.000 0.966 49 T CA -0.441 61.700 62.100 0.068 0.000 0.952 49 T CB 0.296 69.184 68.868 0.032 0.000 1.132 49 T HN 0.524 nan 8.240 nan 0.000 0.536 50 G N 1.244 110.101 108.800 0.096 0.000 2.542 50 G HA2 0.678 4.638 3.960 -0.000 0.000 0.311 50 G HA3 0.678 4.638 3.960 -0.000 0.000 0.311 50 G C -1.108 173.894 174.900 0.171 0.000 1.298 50 G CA -1.020 44.135 45.100 0.092 0.000 0.973 50 G HN 0.503 nan 8.290 nan 0.000 0.487 51 L N 1.114 122.454 121.223 0.194 0.000 2.346 51 L HA 0.748 5.088 4.340 -0.000 0.000 0.274 51 L C -0.735 176.365 176.870 0.383 0.000 1.007 51 L CA -0.735 54.257 54.840 0.252 0.000 0.818 51 L CB 1.963 44.135 42.059 0.187 0.000 1.284 51 L HN 0.487 nan 8.230 nan 0.000 0.424 52 F N -0.265 119.742 119.950 0.095 0.000 3.456 52 F HA 0.445 4.972 4.527 -0.000 0.000 0.329 52 F C -1.173 174.631 175.800 0.007 0.000 1.251 52 F CA -0.747 57.280 58.000 0.046 0.000 0.964 52 F CB 1.277 40.303 39.000 0.043 0.000 1.587 52 F HN 0.363 nan 8.300 nan 0.000 0.522 53 D N 2.482 122.731 120.400 -0.252 0.000 2.233 53 D HA 0.338 4.978 4.640 -0.000 0.000 0.240 53 D C 0.078 176.275 176.300 -0.172 0.000 1.074 53 D CA 0.037 53.858 54.000 -0.299 0.000 0.838 53 D CB 1.597 42.078 40.800 -0.532 0.000 1.124 53 D HN 0.241 nan 8.370 nan 0.000 0.475 54 I N 2.150 122.589 120.570 -0.219 0.000 3.184 54 I HA -0.020 4.150 4.170 -0.000 0.000 0.311 54 I C 0.353 176.229 176.117 -0.401 0.000 1.243 54 I CA 0.149 61.266 61.300 -0.306 0.000 1.393 54 I CB -1.232 36.620 38.000 -0.247 0.000 1.471 54 I HN 0.077 nan 8.210 nan 0.000 0.540 55 T N 2.092 116.476 114.554 -0.284 0.000 4.219 55 T HA 0.175 4.525 4.350 -0.000 0.000 0.263 55 T C 0.941 175.510 174.700 -0.219 0.000 1.217 55 T CA -0.109 61.840 62.100 -0.252 0.000 1.145 55 T CB -0.317 68.446 68.868 -0.175 0.000 1.298 55 T HN 0.048 nan 8.240 nan 0.000 0.999 56 V N 1.291 121.035 119.914 -0.283 0.000 3.503 56 V HA 0.073 4.193 4.120 -0.000 0.000 0.300 56 V C 1.166 177.165 176.094 -0.159 0.000 1.099 56 V CA -0.838 61.325 62.300 -0.229 0.000 1.117 56 V CB 0.537 32.195 31.823 -0.276 0.000 1.122 56 V HN 0.643 nan 8.190 nan 0.000 0.476 57 E N 0.597 120.727 120.200 -0.115 0.000 1.881 57 E HA 0.382 4.732 4.350 -0.000 0.000 0.264 57 E C 0.712 177.262 176.600 -0.083 0.000 1.243 57 E CA 0.744 57.096 56.400 -0.081 0.000 0.965 57 E CB -0.569 29.100 29.700 -0.052 0.000 1.055 57 E HN 0.884 nan 8.360 nan 0.000 0.412 58 G N 2.960 111.705 108.800 -0.091 0.000 2.893 58 G HA2 0.053 4.013 3.960 -0.000 0.000 0.160 58 G HA3 0.053 4.013 3.960 -0.000 0.000 0.160 58 G C 0.275 175.111 174.900 -0.108 0.000 2.432 58 G CA -0.262 44.787 45.100 -0.085 0.000 1.388 58 G HN 0.994 nan 8.290 nan 0.000 0.415 59 G N -0.557 108.152 108.800 -0.152 0.000 2.146 59 G HA2 0.589 4.549 3.960 -0.000 0.000 0.261 59 G HA3 0.589 4.549 3.960 -0.000 0.000 0.261 59 G C -0.557 174.187 174.900 -0.261 0.000 1.745 59 G CA 0.854 45.842 45.100 -0.185 0.000 0.905 59 G HN 0.811 nan 8.290 nan 0.000 0.746 60 E N -0.025 119.933 120.200 -0.403 0.000 1.920 60 E HA 0.002 4.351 4.350 -0.000 0.000 0.250 60 E C 0.747 176.892 176.600 -0.758 0.000 1.075 60 E CA 0.245 56.234 56.400 -0.685 0.000 1.683 60 E CB 0.245 29.193 29.700 -1.254 0.000 3.768 60 E HN 0.913 nan 8.360 nan 0.000 0.959 61 T N 2.029 116.163 114.554 -0.700 0.000 3.852 61 T HA -0.237 4.113 4.350 -0.000 0.000 0.361 61 T C 0.077 174.579 174.700 -0.330 0.000 0.759 61 T CA 0.988 62.813 62.100 -0.460 0.000 1.899 61 T CB -2.075 66.616 68.868 -0.294 0.000 1.822 61 T HN 0.163 nan 8.240 nan 0.000 0.778 62 F N 1.356 121.221 119.950 -0.141 0.000 2.586 62 F HA 0.332 4.859 4.527 -0.000 0.000 0.335 62 F C -1.440 174.297 175.800 -0.105 0.000 1.210 62 F CA -1.736 56.196 58.000 -0.113 0.000 1.359 62 F CB 0.228 39.165 39.000 -0.105 0.000 1.142 62 F HN 0.003 nan 8.300 nan 0.000 0.606 63 P HA 0.468 nan 4.420 nan 0.000 0.301 63 P C -1.430 175.942 177.300 0.120 0.000 1.420 63 P CA -0.177 62.983 63.100 0.099 0.000 1.006 63 P CB 1.830 33.574 31.700 0.072 0.000 0.982 64 A N 4.026 126.941 122.820 0.159 0.000 2.726 64 A HA 0.930 5.250 4.320 -0.000 0.000 0.248 64 A C -1.585 176.195 177.584 0.327 0.000 1.249 64 A CA -0.712 51.450 52.037 0.208 0.000 0.846 64 A CB 0.859 20.006 19.000 0.245 0.000 1.391 64 A HN 0.471 nan 8.150 nan 0.000 0.497 65 L N -0.250 121.236 121.223 0.439 0.000 2.710 65 L HA 0.411 4.751 4.340 -0.000 0.000 0.262 65 L C -0.906 176.169 176.870 0.343 0.000 0.940 65 L CA -0.222 54.870 54.840 0.420 0.000 0.944 65 L CB 1.332 43.581 42.059 0.317 0.000 1.348 65 L HN 0.519 nan 8.230 nan 0.000 0.425 66 V N 4.698 124.705 119.914 0.156 0.000 2.678 66 V HA -0.084 4.036 4.120 -0.000 0.000 0.304 66 V C 1.355 177.431 176.094 -0.030 0.000 1.086 66 V CA 0.493 62.644 62.300 -0.248 0.000 1.246 66 V CB 0.215 31.888 31.823 -0.249 0.000 0.861 66 V HN 0.864 nan 8.190 nan 0.000 0.491 67 K N 3.632 124.001 120.400 -0.051 0.000 2.141 67 K HA 0.481 4.801 4.320 -0.000 0.000 0.202 67 K C 0.443 177.035 176.600 -0.014 0.000 1.045 67 K CA 1.127 57.443 56.287 0.048 0.000 0.971 67 K CB 0.457 33.068 32.500 0.185 0.000 0.795 67 K HN 0.952 nan 8.250 nan 0.000 0.459 68 A N 0.074 122.839 122.820 -0.092 0.000 2.530 68 A HA 0.501 4.821 4.320 -0.000 0.000 0.297 68 A C -1.658 175.811 177.584 -0.191 0.000 1.059 68 A CA -0.794 51.187 52.037 -0.093 0.000 0.782 68 A CB 1.306 20.283 19.000 -0.039 0.000 1.301 68 A HN -0.091 nan 8.150 nan 0.000 0.394 69 V N 3.082 122.869 119.914 -0.211 0.000 2.398 69 V HA 0.510 4.630 4.120 -0.000 0.000 0.286 69 V C -0.451 175.559 176.094 -0.140 0.000 1.026 69 V CA -0.522 61.612 62.300 -0.277 0.000 0.868 69 V CB 1.610 33.160 31.823 -0.455 0.000 0.982 69 V HN 0.820 nan 8.190 nan 0.000 0.443 70 Q N 5.513 125.243 119.800 -0.116 0.000 2.413 70 Q HA 0.429 4.769 4.340 -0.000 0.000 0.258 70 Q C -0.161 175.816 176.000 -0.038 0.000 1.037 70 Q CA -0.521 55.254 55.803 -0.047 0.000 0.764 70 Q CB 1.899 30.629 28.738 -0.014 0.000 1.217 70 Q HN 0.848 nan 8.270 nan 0.000 0.490 71 M N -0.229 119.356 119.600 -0.024 0.000 1.855 71 M HA 0.400 4.880 4.480 -0.000 0.000 0.221 71 M C 0.102 176.403 176.300 0.001 0.000 1.275 71 M CA -0.280 55.016 55.300 -0.007 0.000 0.937 71 M CB -0.234 32.379 32.600 0.021 0.000 1.279 71 M HN 0.216 nan 8.290 nan 0.000 0.490 72 D N 0.671 121.076 120.400 0.008 0.000 2.317 72 D HA 0.315 4.955 4.640 -0.000 0.000 0.234 72 D C -0.569 175.736 176.300 0.009 0.000 1.112 72 D CA -0.229 53.774 54.000 0.006 0.000 0.840 72 D CB 0.778 41.582 40.800 0.007 0.000 1.078 72 D HN 0.462 nan 8.370 nan 0.000 0.486 73 K N 2.545 122.949 120.400 0.006 0.000 2.170 73 K HA 0.087 4.407 4.320 -0.000 0.000 0.241 73 K C 1.123 177.727 176.600 0.007 0.000 1.071 73 K CA -0.298 55.993 56.287 0.006 0.000 0.822 73 K CB 0.391 32.893 32.500 0.003 0.000 1.097 73 K HN 0.545 nan 8.250 nan 0.000 0.522 74 R N 0.492 120.996 120.500 0.007 0.000 3.853 74 R HA -0.270 4.070 4.340 -0.000 0.000 0.440 74 R C -0.808 175.499 176.300 0.010 0.000 0.241 74 R CA 2.180 58.285 56.100 0.007 0.000 1.395 74 R CB -1.063 29.240 30.300 0.005 0.000 0.984 74 R HN 0.826 nan 8.270 nan 0.000 0.570 75 K N 4.069 124.475 120.400 0.010 0.000 2.166 75 K HA -0.110 4.210 4.320 -0.000 0.000 0.258 75 K C -0.424 176.186 176.600 0.017 0.000 1.207 75 K CA 1.166 57.461 56.287 0.013 0.000 1.227 75 K CB -0.493 32.014 32.500 0.012 0.000 0.872 75 K HN 0.454 nan 8.250 nan 0.000 0.426 76 R N 1.619 122.132 120.500 0.020 0.000 2.614 76 R HA 0.081 4.421 4.340 -0.000 0.000 0.335 76 R C -0.619 175.701 176.300 0.033 0.000 0.859 76 R CA 0.573 56.689 56.100 0.027 0.000 1.123 76 R CB -0.249 30.069 30.300 0.030 0.000 0.887 76 R HN 0.656 nan 8.270 nan 0.000 0.407 77 A N 4.309 127.149 122.820 0.034 0.000 2.528 77 A HA 0.388 4.708 4.320 -0.000 0.000 0.306 77 A C -2.813 174.789 177.584 0.030 0.000 1.042 77 A CA -1.400 50.660 52.037 0.038 0.000 0.950 77 A CB 1.437 20.455 19.000 0.030 0.000 1.374 77 A HN 0.528 nan 8.150 nan 0.000 0.387 78 P HA 0.260 nan 4.420 nan 0.000 0.269 78 P C 0.545 177.832 177.300 -0.020 0.000 1.217 78 P CA -0.075 63.028 63.100 0.005 0.000 0.783 78 P CB 0.819 32.542 31.700 0.038 0.000 0.898 79 I N 0.066 120.604 120.570 -0.053 0.000 5.251 79 I HA 0.132 4.302 4.170 -0.000 0.000 0.340 79 I C -0.802 175.309 176.117 -0.010 0.000 1.201 79 I CA 0.617 61.897 61.300 -0.032 0.000 1.500 79 I CB 0.157 38.153 38.000 -0.006 0.000 1.636 79 I HN 0.370 nan 8.210 nan 0.000 0.561 80 H N 1.603 120.567 119.070 -0.176 0.000 3.240 80 H HA 0.595 5.151 4.556 -0.000 0.000 0.326 80 H C -1.617 173.557 175.328 -0.256 0.000 1.015 80 H CA -0.330 55.602 56.048 -0.193 0.000 1.504 80 H CB 1.262 30.944 29.762 -0.134 0.000 1.754 80 H HN -0.174 nan 8.280 nan 0.000 0.505 81 V N 4.207 123.712 119.914 -0.681 0.000 2.539 81 V HA 0.319 4.439 4.120 -0.000 0.000 0.292 81 V C -0.118 175.525 176.094 -0.752 0.000 1.045 81 V CA -0.664 61.197 62.300 -0.733 0.000 0.945 81 V CB 1.582 32.919 31.823 -0.811 0.000 0.993 81 V HN 0.758 nan 8.190 nan 0.000 0.464 82 D N 2.809 122.811 120.400 -0.664 0.000 2.217 82 D HA 0.632 5.272 4.640 -0.000 0.000 0.243 82 D C -0.868 175.142 176.300 -0.485 0.000 1.054 82 D CA 0.095 53.775 54.000 -0.533 0.000 0.838 82 D CB 1.430 42.076 40.800 -0.256 0.000 1.162 82 D HN 0.291 nan 8.370 nan 0.000 0.472 83 F N 1.317 121.138 119.950 -0.215 0.000 2.522 83 F HA 0.349 4.876 4.527 -0.000 0.000 0.324 83 F C -0.443 175.460 175.800 0.171 0.000 1.077 83 F CA -1.069 56.964 58.000 0.055 0.000 0.944 83 F CB 1.308 40.389 39.000 0.136 0.000 1.175 83 F HN 0.188 nan 8.300 nan 0.000 0.468 84 Y N 4.634 125.144 120.300 0.352 0.000 2.478 84 Y HA 0.407 4.957 4.550 -0.000 0.000 0.329 84 Y C -0.327 175.742 175.900 0.282 0.000 0.967 84 Y CA -1.808 56.504 58.100 0.354 0.000 1.255 84 Y CB 0.376 39.002 38.460 0.276 0.000 1.103 84 Y HN 0.386 nan 8.280 nan 0.000 0.497 85 M N 5.675 125.185 119.600 -0.150 0.000 2.274 85 M HA -0.048 4.432 4.480 -0.000 0.000 0.377 85 M C -0.193 175.954 176.300 -0.255 0.000 1.428 85 M CA 0.543 55.752 55.300 -0.153 0.000 0.907 85 M CB -0.330 32.154 32.600 -0.194 0.000 1.974 85 M HN 0.269 nan 8.290 nan 0.000 0.479 86 V N 6.290 126.184 119.914 -0.034 0.000 2.421 86 V HA -0.014 4.106 4.120 -0.000 0.000 0.271 86 V C 1.620 177.726 176.094 0.020 0.000 1.031 86 V CA 0.106 62.424 62.300 0.031 0.000 1.032 86 V CB 0.068 31.956 31.823 0.109 0.000 1.009 86 V HN 0.949 nan 8.190 nan 0.000 0.477 87 T N 3.818 118.387 114.554 0.026 0.000 2.520 87 T HA -0.183 4.167 4.350 -0.000 0.000 0.258 87 T C 1.035 175.851 174.700 0.193 0.000 1.125 87 T CA 2.785 64.926 62.100 0.068 0.000 1.206 87 T CB -0.182 68.740 68.868 0.090 0.000 0.864 87 T HN 0.976 nan 8.240 nan 0.000 0.400 88 Y N -1.890 118.428 120.300 0.029 0.000 3.090 88 Y HA 0.096 4.646 4.550 -0.000 0.000 0.356 88 Y C 0.997 176.918 175.900 0.036 0.000 0.921 88 Y CA 0.860 58.978 58.100 0.029 0.000 0.883 88 Y CB -0.458 38.012 38.460 0.017 0.000 1.315 88 Y HN 0.257 nan 8.280 nan 0.000 0.495 89 G N 0.387 109.077 108.800 -0.183 0.000 2.619 89 G HA2 0.290 4.250 3.960 -0.000 0.000 0.201 89 G HA3 0.290 4.250 3.960 -0.000 0.000 0.201 89 G C -0.334 174.519 174.900 -0.079 0.000 1.188 89 G CA 0.053 44.998 45.100 -0.258 0.000 0.663 89 G HN 0.075 nan 8.290 nan 0.000 0.757 90 E N 1.424 121.618 120.200 -0.011 0.000 2.155 90 E HA 0.316 4.665 4.350 -0.000 0.000 0.264 90 E C -1.679 174.982 176.600 0.101 0.000 0.886 90 E CA -1.457 54.962 56.400 0.031 0.000 0.752 90 E CB 3.067 32.778 29.700 0.019 0.000 1.133 90 E HN 0.232 nan 8.360 nan 0.000 0.414 91 P HA 0.115 nan 4.420 nan 0.000 0.200 91 P C 0.889 178.238 177.300 0.083 0.000 1.109 91 P CA 0.874 64.133 63.100 0.265 0.000 0.908 91 P CB 0.866 32.740 31.700 0.291 0.000 0.746 92 V N -4.889 115.024 119.914 -0.002 0.000 4.177 92 V HA 0.341 4.461 4.120 -0.000 0.000 0.162 92 V C 0.345 176.413 176.094 -0.042 0.000 1.439 92 V CA -0.264 61.997 62.300 -0.064 0.000 0.986 92 V CB 0.556 32.276 31.823 -0.172 0.000 1.049 92 V HN 0.142 nan 8.190 nan 0.000 0.594 93 E N -0.904 119.274 120.200 -0.036 0.000 2.090 93 E HA 0.793 5.143 4.350 -0.000 0.000 0.221 93 E C -1.861 174.745 176.600 0.010 0.000 1.323 93 E CA -0.300 56.091 56.400 -0.014 0.000 0.934 93 E CB 2.749 32.432 29.700 -0.028 0.000 1.828 93 E HN 0.187 nan 8.360 nan 0.000 0.519 94 V N 1.120 121.043 119.914 0.015 0.000 2.863 94 V HA 0.114 4.234 4.120 -0.000 0.000 0.259 94 V C -1.605 174.507 176.094 0.031 0.000 1.683 94 V CA -0.650 61.671 62.300 0.034 0.000 0.892 94 V CB 1.980 33.831 31.823 0.046 0.000 1.222 94 V HN 0.591 nan 8.190 nan 0.000 0.469 95 S N 3.919 119.642 115.700 0.038 0.000 2.430 95 S HA 0.687 5.157 4.470 -0.000 0.000 0.289 95 S C -0.342 174.279 174.600 0.036 0.000 1.143 95 S CA -0.469 57.752 58.200 0.036 0.000 1.067 95 S CB 1.356 64.581 63.200 0.041 0.000 0.964 95 S HN 0.519 nan 8.310 nan 0.000 0.485 96 V N 6.638 126.569 119.914 0.028 0.000 2.483 96 V HA 0.379 4.499 4.120 -0.000 0.000 0.297 96 V C -2.258 173.848 176.094 0.019 0.000 1.027 96 V CA -2.236 60.073 62.300 0.016 0.000 0.855 96 V CB 1.897 33.725 31.823 0.009 0.000 0.995 96 V HN 0.627 nan 8.190 nan 0.000 0.424 97 P HA 0.033 nan 4.420 nan 0.000 0.264 97 P C 0.255 177.581 177.300 0.043 0.000 1.229 97 P CA 0.702 63.823 63.100 0.035 0.000 0.780 97 P CB 1.177 32.889 31.700 0.020 0.000 0.808 98 V N 5.119 125.073 119.914 0.067 0.000 3.672 98 V HA -0.030 4.090 4.120 -0.000 0.000 0.301 98 V C -0.101 176.104 176.094 0.186 0.000 1.123 98 V CA 0.915 63.263 62.300 0.080 0.000 1.210 98 V CB -0.160 31.692 31.823 0.049 0.000 1.089 98 V HN 0.682 nan 8.190 nan 0.000 0.491 99 H N -0.017 119.033 119.070 -0.034 0.000 3.079 99 H HA 0.523 5.079 4.556 -0.000 0.000 0.356 99 H C -0.694 174.611 175.328 -0.038 0.000 1.221 99 H CA -0.162 55.861 56.048 -0.042 0.000 1.185 99 H CB 1.947 31.690 29.762 -0.032 0.000 1.882 99 H HN 0.752 nan 8.280 nan 0.000 0.543 100 T N 2.132 116.546 114.554 -0.235 0.000 2.885 100 T HA 0.672 5.022 4.350 -0.000 0.000 0.285 100 T C -0.666 173.949 174.700 -0.142 0.000 1.019 100 T CA -0.172 61.839 62.100 -0.149 0.000 1.010 100 T CB 0.936 69.713 68.868 -0.151 0.000 1.022 100 T HN 0.767 nan 8.240 nan 0.000 0.466 101 T N -0.845 113.669 114.554 -0.065 0.000 2.731 101 T HA 0.776 5.126 4.350 -0.000 0.000 0.300 101 T C 0.078 174.762 174.700 -0.028 0.000 1.283 101 T CA -0.162 61.913 62.100 -0.041 0.000 1.005 101 T CB 1.039 69.905 68.868 -0.005 0.000 1.420 101 T HN 1.413 nan 8.240 nan 0.000 0.503 102 G N 0.686 109.475 108.800 -0.019 0.000 2.757 102 G HA2 0.198 4.158 3.960 -0.000 0.000 0.686 102 G HA3 0.198 4.158 3.960 -0.000 0.000 0.686 102 G C -0.575 174.313 174.900 -0.019 0.000 1.452 102 G CA -0.053 45.038 45.100 -0.014 0.000 0.922 102 G HN 0.993 nan 8.290 nan 0.000 0.588 103 R N 0.326 120.817 120.500 -0.015 0.000 2.546 103 R HA 0.790 5.130 4.340 -0.000 0.000 0.266 103 R C 1.055 177.347 176.300 -0.014 0.000 1.086 103 R CA 0.242 56.332 56.100 -0.016 0.000 1.160 103 R CB 0.745 31.038 30.300 -0.012 0.000 1.138 103 R HN 1.563 nan 8.270 nan 0.000 0.567 104 S N 0.626 116.318 115.700 -0.013 0.000 2.681 104 S HA 0.298 4.768 4.470 -0.000 0.000 0.299 104 S C -0.232 174.364 174.600 -0.007 0.000 1.113 104 S CA -0.792 57.402 58.200 -0.010 0.000 1.013 104 S CB 1.729 64.923 63.200 -0.011 0.000 1.076 104 S HN 0.557 nan 8.310 nan 0.000 0.534 105 Q N 0.420 120.217 119.800 -0.004 0.000 2.217 105 Q HA 0.415 4.755 4.340 -0.000 0.000 0.226 105 Q C 0.953 176.952 176.000 -0.002 0.000 0.875 105 Q CA 0.427 56.228 55.803 -0.003 0.000 0.974 105 Q CB 0.432 29.169 28.738 -0.002 0.000 1.079 105 Q HN 0.964 nan 8.270 nan 0.000 0.463 106 G N -1.074 107.725 108.800 -0.002 0.000 3.155 106 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.193 106 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.193 106 G C 0.751 175.650 174.900 -0.003 0.000 1.215 106 G CA -0.269 44.830 45.100 -0.001 0.000 0.917 106 G HN 0.262 nan 8.290 nan 0.000 0.756 107 E N 0.303 120.499 120.200 -0.006 0.000 2.502 107 E HA 0.190 4.540 4.350 -0.000 0.000 0.194 107 E C 1.646 178.242 176.600 -0.006 0.000 1.062 107 E CA 0.394 56.789 56.400 -0.008 0.000 0.867 107 E CB 0.288 29.981 29.700 -0.012 0.000 0.888 107 E HN 0.197 nan 8.360 nan 0.000 0.510 108 V N -0.037 119.874 119.914 -0.005 0.000 3.612 108 V HA 0.035 4.155 4.120 -0.000 0.000 0.268 108 V C 1.660 177.752 176.094 -0.003 0.000 1.365 108 V CA 0.266 62.563 62.300 -0.004 0.000 1.044 108 V CB 0.318 32.138 31.823 -0.004 0.000 0.820 108 V HN 0.175 nan 8.190 nan 0.000 0.444 109 Q N 1.068 120.867 119.800 -0.002 0.000 1.994 109 Q HA 0.125 4.465 4.340 -0.000 0.000 0.198 109 Q C 1.750 177.749 176.000 -0.001 0.000 0.976 109 Q CA 1.571 57.373 55.803 -0.001 0.000 0.828 109 Q CB 0.007 28.745 28.738 0.000 0.000 0.894 109 Q HN 0.638 nan 8.270 nan 0.000 0.432 110 G N -0.785 108.014 108.800 -0.001 0.000 4.541 110 G HA2 0.080 4.040 3.960 -0.000 0.000 0.221 110 G HA3 0.080 4.040 3.960 -0.000 0.000 0.221 110 G C -0.057 174.843 174.900 -0.000 0.000 0.774 110 G CA -0.280 44.819 45.100 -0.000 0.000 1.044 110 G HN 0.430 nan 8.290 nan 0.000 0.768 111 G N -0.304 108.496 108.800 -0.000 0.000 2.511 111 G HA2 0.755 4.715 3.960 -0.000 0.000 0.316 111 G HA3 0.755 4.715 3.960 -0.000 0.000 0.316 111 G C -0.852 174.046 174.900 -0.003 0.000 1.210 111 G CA -0.602 44.498 45.100 0.000 0.000 0.969 111 G HN 0.956 nan 8.290 nan 0.000 0.492 112 L N -0.277 120.944 121.223 -0.004 0.000 2.370 112 L HA 0.786 5.126 4.340 -0.000 0.000 0.266 112 L C -0.725 176.137 176.870 -0.013 0.000 1.002 112 L CA -0.947 53.888 54.840 -0.009 0.000 0.818 112 L CB 2.358 44.412 42.059 -0.008 0.000 1.325 112 L HN 0.365 nan 8.230 nan 0.000 0.418 113 V N 3.073 122.974 119.914 -0.021 0.000 2.513 113 V HA 0.643 4.763 4.120 -0.000 0.000 0.299 113 V C -0.614 175.455 176.094 -0.042 0.000 1.035 113 V CA -0.562 61.721 62.300 -0.029 0.000 0.889 113 V CB 1.375 33.177 31.823 -0.036 0.000 0.988 113 V HN 0.890 nan 8.190 nan 0.000 0.440 114 D N 2.518 122.891 120.400 -0.044 0.000 2.531 114 D HA 0.514 5.154 4.640 -0.000 0.000 0.244 114 D C -1.239 175.012 176.300 -0.082 0.000 1.090 114 D CA -0.625 53.340 54.000 -0.059 0.000 0.989 114 D CB 2.675 43.462 40.800 -0.022 0.000 1.433 114 D HN 0.463 nan 8.370 nan 0.000 0.492 115 I N 2.691 123.177 120.570 -0.140 0.000 2.412 115 I HA 0.118 4.288 4.170 -0.000 0.000 0.279 115 I C 1.559 177.631 176.117 -0.074 0.000 1.063 115 I CA -0.658 60.549 61.300 -0.156 0.000 1.193 115 I CB 1.602 39.438 38.000 -0.274 0.000 1.370 115 I HN 0.192 nan 8.210 nan 0.000 0.479 116 V N 5.309 125.219 119.914 -0.007 0.000 2.636 116 V HA -0.189 3.931 4.120 -0.000 0.000 0.258 116 V C 1.128 177.279 176.094 0.095 0.000 1.092 116 V CA 1.510 63.834 62.300 0.040 0.000 1.110 116 V CB -0.636 31.182 31.823 -0.008 0.000 0.685 116 V HN 0.737 nan 8.190 nan 0.000 0.481 117 V N -3.973 115.997 119.914 0.093 0.000 2.462 117 V HA 0.476 4.596 4.120 -0.000 0.000 0.257 117 V C 0.940 177.123 176.094 0.147 0.000 0.944 117 V CA -0.860 61.513 62.300 0.120 0.000 0.903 117 V CB 0.043 31.901 31.823 0.060 0.000 1.128 117 V HN 0.317 nan 8.190 nan 0.000 0.486 118 H N 1.847 120.925 119.070 0.014 0.000 2.710 118 H HA -0.256 4.300 4.556 -0.000 0.000 0.252 118 H C 1.343 176.692 175.328 0.035 0.000 1.043 118 H CA 2.986 59.050 56.048 0.027 0.000 1.324 118 H CB -0.359 29.416 29.762 0.022 0.000 1.780 118 H HN 0.818 nan 8.280 nan 0.000 0.894 119 N N 0.138 118.948 118.700 0.184 0.000 2.467 119 N HA 0.221 4.961 4.740 -0.000 0.000 0.262 119 N C -1.067 174.487 175.510 0.073 0.000 1.234 119 N CA -0.188 52.922 53.050 0.100 0.000 0.952 119 N CB 0.480 39.015 38.487 0.080 0.000 1.158 119 N HN 0.298 nan 8.380 nan 0.000 0.463 120 L N 2.253 123.507 121.223 0.051 0.000 2.482 120 L HA 0.274 4.614 4.340 -0.000 0.000 0.269 120 L C -0.974 175.913 176.870 0.030 0.000 0.967 120 L CA -0.552 54.311 54.840 0.039 0.000 0.851 120 L CB 1.622 43.702 42.059 0.035 0.000 1.242 120 L HN 0.737 nan 8.230 nan 0.000 0.404 121 Q N 4.578 124.393 119.800 0.025 0.000 2.260 121 Q HA 0.635 4.975 4.340 -0.000 0.000 0.242 121 Q C -1.048 174.961 176.000 0.015 0.000 0.932 121 Q CA -0.584 55.231 55.803 0.020 0.000 0.891 121 Q CB 1.702 30.450 28.738 0.015 0.000 1.222 121 Q HN 0.658 nan 8.270 nan 0.000 0.453 122 I N 0.447 121.025 120.570 0.013 0.000 2.468 122 I HA 0.357 4.527 4.170 -0.000 0.000 0.285 122 I C -0.587 175.533 176.117 0.005 0.000 1.039 122 I CA -1.342 59.964 61.300 0.010 0.000 1.074 122 I CB 1.595 39.602 38.000 0.012 0.000 1.228 122 I HN 0.245 nan 8.210 nan 0.000 0.436 123 V N 6.046 125.960 119.914 0.000 0.000 2.540 123 V HA 0.324 4.444 4.120 -0.000 0.000 0.297 123 V C 1.100 177.193 176.094 -0.001 0.000 1.024 123 V CA 0.951 63.248 62.300 -0.005 0.000 1.105 123 V CB 0.500 32.319 31.823 -0.007 0.000 0.938 123 V HN 1.210 nan 8.190 nan 0.000 0.482 124 A N 5.913 128.733 122.820 -0.001 0.000 2.331 124 A HA -0.072 4.247 4.320 -0.000 0.000 0.274 124 A C -1.067 176.520 177.584 0.005 0.000 1.395 124 A CA 0.080 52.117 52.037 0.001 0.000 0.721 124 A CB -1.344 17.654 19.000 -0.003 0.000 1.160 124 A HN 0.687 nan 8.150 nan 0.000 0.345 125 P HA 0.217 nan 4.420 nan 0.000 0.201 125 P C 0.965 178.272 177.300 0.012 0.000 0.995 125 P CA 1.857 64.968 63.100 0.019 0.000 0.866 125 P CB 0.081 31.803 31.700 0.036 0.000 0.652 126 G N -1.018 107.789 108.800 0.012 0.000 3.265 126 G HA2 0.207 4.167 3.960 -0.000 0.000 0.236 126 G HA3 0.207 4.167 3.960 -0.000 0.000 0.236 126 G C -3.227 171.674 174.900 0.002 0.000 3.888 126 G CA -0.606 44.495 45.100 0.001 0.000 0.423 126 G HN 0.028 nan 8.290 nan 0.000 0.303 127 P HA -0.134 nan 4.420 nan 0.000 0.261 127 P C 1.302 178.610 177.300 0.013 0.000 1.133 127 P CA 1.315 64.395 63.100 -0.033 0.000 0.756 127 P CB 0.347 31.952 31.700 -0.159 0.000 0.726 128 R N 2.861 123.402 120.500 0.069 0.000 4.173 128 R HA -0.354 3.986 4.340 -0.000 0.000 0.377 128 R C 0.581 176.927 176.300 0.077 0.000 0.803 128 R CA 2.305 58.467 56.100 0.103 0.000 1.804 128 R CB -1.764 28.630 30.300 0.156 0.000 2.329 128 R HN 0.428 nan 8.270 nan 0.000 0.479 129 R N 1.145 121.677 120.500 0.054 0.000 2.317 129 R HA 0.324 4.664 4.340 -0.000 0.000 0.208 129 R C 0.294 176.617 176.300 0.038 0.000 0.914 129 R CA 0.048 56.173 56.100 0.042 0.000 1.060 129 R CB 0.255 30.573 30.300 0.030 0.000 1.015 129 R HN 0.153 nan 8.270 nan 0.000 0.498 130 I N 3.913 124.511 120.570 0.046 0.000 3.739 130 I HA -0.120 4.050 4.170 -0.000 0.000 0.306 130 I C -1.945 174.195 176.117 0.038 0.000 1.232 130 I CA -0.599 60.729 61.300 0.047 0.000 1.554 130 I CB -1.500 36.541 38.000 0.070 0.000 1.520 130 I HN -0.160 nan 8.210 nan 0.000 0.609 131 P HA -0.105 nan 4.420 nan 0.000 0.263 131 P C 0.655 177.961 177.300 0.009 0.000 1.162 131 P CA 0.423 63.531 63.100 0.013 0.000 0.758 131 P CB 0.309 32.014 31.700 0.009 0.000 0.773 132 Q N 1.561 121.357 119.800 -0.006 0.000 2.194 132 Q HA 0.194 4.534 4.340 -0.000 0.000 0.214 132 Q C 0.102 176.068 176.000 -0.057 0.000 0.838 132 Q CA -0.199 55.592 55.803 -0.020 0.000 0.972 132 Q CB 0.442 29.169 28.738 -0.019 0.000 1.131 132 Q HN 0.606 nan 8.270 nan 0.000 0.498 133 E N -0.085 120.080 120.200 -0.058 0.000 2.331 133 E HA 0.585 4.935 4.350 -0.000 0.000 0.263 133 E C -1.919 174.648 176.600 -0.054 0.000 1.224 133 E CA -1.002 55.338 56.400 -0.099 0.000 0.898 133 E CB 1.004 30.603 29.700 -0.168 0.000 1.591 133 E HN 0.055 nan 8.360 nan 0.000 0.463 134 L N 0.479 121.672 121.223 -0.050 0.000 3.055 134 L HA 0.443 4.783 4.340 -0.000 0.000 0.261 134 L C -2.089 174.810 176.870 0.049 0.000 0.939 134 L CA -0.335 54.507 54.840 0.002 0.000 1.091 134 L CB 1.790 43.855 42.059 0.011 0.000 1.690 134 L HN 0.585 nan 8.230 nan 0.000 0.520 135 V N 5.413 125.360 119.914 0.055 0.000 2.465 135 V HA 0.668 4.788 4.120 -0.000 0.000 0.279 135 V C 0.131 176.256 176.094 0.053 0.000 1.045 135 V CA -0.373 61.981 62.300 0.089 0.000 0.938 135 V CB 1.643 33.512 31.823 0.078 0.000 0.986 135 V HN 0.566 nan 8.190 nan 0.000 0.467 136 V N 3.414 123.355 119.914 0.046 0.000 2.994 136 V HA 0.423 4.543 4.120 -0.000 0.000 0.318 136 V C -0.130 175.968 176.094 0.007 0.000 1.085 136 V CA -0.653 61.659 62.300 0.021 0.000 0.998 136 V CB 2.263 34.095 31.823 0.015 0.000 1.063 136 V HN 1.002 nan 8.190 nan 0.000 0.447 137 D N -0.053 120.349 120.400 0.004 0.000 2.411 137 D HA 0.481 5.121 4.640 -0.000 0.000 0.251 137 D C 0.483 176.778 176.300 -0.009 0.000 1.201 137 D CA 0.473 54.471 54.000 -0.002 0.000 0.996 137 D CB 1.750 42.550 40.800 0.001 0.000 1.101 137 D HN 0.350 nan 8.370 nan 0.000 0.504 138 V N -3.419 116.489 119.914 -0.011 0.000 3.154 138 V HA 0.089 4.209 4.120 -0.000 0.000 0.221 138 V C 1.816 177.905 176.094 -0.008 0.000 1.504 138 V CA 0.599 62.890 62.300 -0.013 0.000 1.243 138 V CB -0.539 31.269 31.823 -0.025 0.000 1.115 138 V HN 0.570 nan 8.190 nan 0.000 0.481 139 T N 3.058 117.607 114.554 -0.008 0.000 2.527 139 T HA -0.365 3.985 4.350 -0.000 0.000 0.258 139 T C 1.759 176.457 174.700 -0.003 0.000 1.175 139 T CA 3.863 65.959 62.100 -0.006 0.000 1.168 139 T CB -0.723 68.142 68.868 -0.005 0.000 0.860 139 T HN 0.899 nan 8.240 nan 0.000 0.429 140 K N 1.277 121.676 120.400 -0.002 0.000 2.066 140 K HA -0.220 4.099 4.320 -0.000 0.000 0.221 140 K C 1.227 177.827 176.600 0.000 0.000 1.056 140 K CA 1.475 57.761 56.287 -0.001 0.000 0.950 140 K CB -1.026 31.475 32.500 0.000 0.000 0.726 140 K HN 0.379 nan 8.250 nan 0.000 0.456 141 M N 1.851 121.453 119.600 0.003 0.000 2.233 141 M HA -0.051 4.429 4.480 -0.000 0.000 0.307 141 M C 0.509 176.812 176.300 0.005 0.000 1.026 141 M CA 0.564 55.868 55.300 0.007 0.000 1.109 141 M CB -0.021 32.587 32.600 0.012 0.000 1.463 141 M HN 0.329 nan 8.290 nan 0.000 0.436 142 N N 0.742 119.447 118.700 0.009 0.000 3.539 142 N HA 0.532 5.272 4.740 -0.000 0.000 0.329 142 N C -1.014 174.505 175.510 0.015 0.000 1.510 142 N CA -0.442 52.612 53.050 0.008 0.000 0.654 142 N CB 0.002 38.492 38.487 0.005 0.000 2.690 142 N HN 0.441 nan 8.380 nan 0.000 0.567 143 I N -0.925 119.655 120.570 0.016 0.000 2.396 143 I HA 0.539 4.709 4.170 -0.000 0.000 0.292 143 I C 1.215 177.356 176.117 0.040 0.000 0.999 143 I CA -0.824 60.490 61.300 0.023 0.000 1.310 143 I CB 0.327 38.337 38.000 0.016 0.000 1.404 143 I HN 0.686 nan 8.210 nan 0.000 0.496 144 G N 2.726 111.564 108.800 0.063 0.000 2.323 144 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.292 144 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.292 144 G C -0.409 174.580 174.900 0.148 0.000 1.040 144 G CA 0.061 45.232 45.100 0.118 0.000 0.942 144 G HN 0.773 nan 8.290 nan 0.000 0.506 145 D N -0.054 120.431 120.400 0.142 0.000 2.441 145 D HA 0.377 5.017 4.640 -0.000 0.000 0.231 145 D C 1.035 177.456 176.300 0.201 0.000 1.073 145 D CA -0.304 53.762 54.000 0.110 0.000 0.850 145 D CB 0.334 41.162 40.800 0.046 0.000 1.062 145 D HN 0.604 nan 8.370 nan 0.000 0.524 146 H N 1.474 120.543 119.070 -0.003 0.000 2.408 146 H HA 0.481 5.037 4.556 -0.000 0.000 0.352 146 H C 0.132 175.459 175.328 -0.002 0.000 1.607 146 H CA -0.806 55.241 56.048 -0.002 0.000 1.445 146 H CB 1.636 31.398 29.762 0.001 0.000 1.664 146 H HN 0.208 nan 8.280 nan 0.000 0.605 147 I N 1.321 121.980 120.570 0.149 0.000 2.685 147 I HA 0.081 4.251 4.170 -0.000 0.000 0.289 147 I C -0.444 175.711 176.117 0.065 0.000 1.292 147 I CA -0.470 60.874 61.300 0.074 0.000 1.050 147 I CB 1.725 39.750 38.000 0.041 0.000 1.301 147 I HN 0.682 nan 8.210 nan 0.000 0.425 148 T N 0.934 115.520 114.554 0.052 0.000 2.861 148 T HA 0.663 5.013 4.350 -0.000 0.000 0.287 148 T C 1.178 175.895 174.700 0.028 0.000 1.003 148 T CA -0.019 62.106 62.100 0.042 0.000 0.977 148 T CB 2.309 71.206 68.868 0.048 0.000 0.996 148 T HN 0.786 nan 8.240 nan 0.000 0.448 149 A N 3.202 126.036 122.820 0.024 0.000 1.933 149 A HA -0.274 4.046 4.320 -0.000 0.000 0.252 149 A C 2.425 180.019 177.584 0.017 0.000 2.192 149 A CA 3.176 55.224 52.037 0.019 0.000 0.766 149 A CB -1.961 17.049 19.000 0.017 0.000 0.834 149 A HN 1.532 nan 8.150 nan 0.000 0.553 150 G N -1.252 107.558 108.800 0.017 0.000 2.469 150 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.219 150 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.219 150 G C 1.093 176.001 174.900 0.013 0.000 1.150 150 G CA 1.605 46.713 45.100 0.013 0.000 0.763 150 G HN 0.623 nan 8.290 nan 0.000 0.561 151 D N 0.157 120.566 120.400 0.015 0.000 2.137 151 D HA 0.019 4.659 4.640 -0.000 0.000 0.202 151 D C 0.835 177.143 176.300 0.014 0.000 0.970 151 D CA -0.061 53.948 54.000 0.014 0.000 0.837 151 D CB -0.092 40.718 40.800 0.016 0.000 0.981 151 D HN 0.178 nan 8.370 nan 0.000 0.475 152 I N 2.262 122.842 120.570 0.016 0.000 3.015 152 I HA -0.152 4.018 4.170 -0.000 0.000 0.309 152 I C 1.019 177.144 176.117 0.014 0.000 1.229 152 I CA 0.221 61.531 61.300 0.016 0.000 1.430 152 I CB -0.035 37.976 38.000 0.018 0.000 1.347 152 I HN -0.129 nan 8.210 nan 0.000 0.544 153 K N 6.441 126.850 120.400 0.014 0.000 2.140 153 K HA 0.624 4.944 4.320 -0.000 0.000 0.237 153 K C -0.496 176.111 176.600 0.012 0.000 1.045 153 K CA -0.496 55.799 56.287 0.013 0.000 0.896 153 K CB 0.464 32.971 32.500 0.012 0.000 1.122 153 K HN 0.456 nan 8.250 nan 0.000 0.503 154 L N 1.972 123.201 121.223 0.010 0.000 2.752 154 L HA 0.165 4.505 4.340 -0.000 0.000 0.257 154 L C -2.356 174.519 176.870 0.008 0.000 0.968 154 L CA -1.291 53.554 54.840 0.009 0.000 0.953 154 L CB 2.043 44.107 42.059 0.008 0.000 1.286 154 L HN 0.424 nan 8.230 nan 0.000 0.443 155 P HA 0.101 nan 4.420 nan 0.000 0.266 155 P C -0.402 176.902 177.300 0.007 0.000 1.419 155 P CA 0.282 63.386 63.100 0.008 0.000 1.112 155 P CB 0.526 32.230 31.700 0.008 0.000 1.438 156 E N 1.703 121.907 120.200 0.006 0.000 6.993 156 E HA -0.165 4.184 4.350 -0.000 0.000 0.276 156 E C 0.923 177.524 176.600 0.002 0.000 1.113 156 E CA 0.773 57.176 56.400 0.004 0.000 1.400 156 E CB -1.251 28.452 29.700 0.005 0.000 0.936 156 E HN 0.857 nan 8.360 nan 0.000 0.285 157 G N 1.963 110.763 108.800 0.001 0.000 4.933 157 G HA2 -0.439 3.521 3.960 -0.000 0.000 0.285 157 G HA3 -0.439 3.521 3.960 -0.000 0.000 0.285 157 G C 0.346 175.246 174.900 -0.000 0.000 1.596 157 G CA 0.229 45.328 45.100 -0.002 0.000 1.081 157 G HN 1.577 nan 8.290 nan 0.000 0.710 158 C N 2.009 121.310 119.300 0.001 0.000 0.676 158 C HA 0.330 4.790 4.460 -0.000 0.000 0.540 158 C C 1.228 176.220 174.990 0.004 0.000 1.215 158 C CA 0.594 59.614 59.018 0.004 0.000 2.005 158 C CB -2.298 25.446 27.740 0.007 0.000 3.532 158 C HN 1.700 nan 8.230 nan 0.000 0.561 159 T N 2.215 116.770 114.554 0.003 0.000 2.910 159 T HA 0.454 4.804 4.350 -0.000 0.000 0.323 159 T C 0.011 174.713 174.700 0.004 0.000 1.091 159 T CA -0.703 61.399 62.100 0.003 0.000 0.960 159 T CB 0.321 69.189 68.868 0.000 0.000 1.024 159 T HN 0.661 nan 8.240 nan 0.000 0.509 160 L N 2.769 123.996 121.223 0.006 0.000 2.877 160 L HA -0.076 4.264 4.340 -0.000 0.000 0.287 160 L C 1.768 178.642 176.870 0.006 0.000 1.112 160 L CA -0.175 54.670 54.840 0.008 0.000 0.986 160 L CB 0.108 42.173 42.059 0.009 0.000 1.384 160 L HN 0.906 nan 8.230 nan 0.000 0.460 161 A N 3.795 126.618 122.820 0.006 0.000 2.216 161 A HA 0.148 4.468 4.320 -0.000 0.000 0.214 161 A C 1.205 178.791 177.584 0.004 0.000 1.160 161 A CA 0.999 53.038 52.037 0.003 0.000 0.725 161 A CB -0.294 18.707 19.000 0.001 0.000 0.784 161 A HN 0.753 nan 8.150 nan 0.000 0.472 162 A N -0.075 122.749 122.820 0.007 0.000 2.302 162 A HA 0.440 4.760 4.320 -0.000 0.000 0.285 162 A C -0.093 177.496 177.584 0.009 0.000 1.105 162 A CA -0.445 51.598 52.037 0.009 0.000 0.816 162 A CB 0.211 19.219 19.000 0.013 0.000 1.067 162 A HN 0.289 nan 8.150 nan 0.000 0.489 163 D N 1.460 121.865 120.400 0.009 0.000 2.348 163 D HA 0.193 4.833 4.640 -0.000 0.000 0.253 163 D C -1.679 174.628 176.300 0.012 0.000 1.161 163 D CA -1.456 52.550 54.000 0.009 0.000 0.876 163 D CB 1.174 41.979 40.800 0.009 0.000 1.160 163 D HN 0.104 nan 8.370 nan 0.000 0.459 164 P HA -0.116 nan 4.420 nan 0.000 0.223 164 P C 0.198 177.509 177.300 0.018 0.000 1.140 164 P CA 1.060 64.168 63.100 0.014 0.000 0.783 164 P CB 0.251 31.958 31.700 0.011 0.000 0.759 165 E N -1.365 118.847 120.200 0.020 0.000 2.476 165 E HA 0.083 4.433 4.350 -0.000 0.000 0.196 165 E C 0.241 176.861 176.600 0.032 0.000 1.029 165 E CA -0.473 55.943 56.400 0.027 0.000 0.896 165 E CB -0.044 29.670 29.700 0.024 0.000 1.012 165 E HN 0.154 nan 8.360 nan 0.000 0.475 166 L N 1.781 123.019 121.223 0.025 0.000 2.410 166 L HA 0.106 4.446 4.340 -0.000 0.000 0.273 166 L C -0.145 176.740 176.870 0.025 0.000 1.144 166 L CA 0.255 55.108 54.840 0.022 0.000 0.863 166 L CB 0.842 42.910 42.059 0.017 0.000 1.140 166 L HN -0.197 nan 8.230 nan 0.000 0.463 167 T N 5.044 119.607 114.554 0.014 0.000 2.817 167 T HA 0.149 4.498 4.350 -0.000 0.000 0.295 167 T C 1.167 175.866 174.700 -0.002 0.000 0.958 167 T CA -0.279 61.820 62.100 -0.002 0.000 1.157 167 T CB 0.852 69.674 68.868 -0.076 0.000 0.898 167 T HN 0.548 nan 8.240 nan 0.000 0.536 168 V N 3.494 123.413 119.914 0.009 0.000 3.570 168 V HA 0.182 4.302 4.120 -0.000 0.000 0.257 168 V C 0.235 176.328 176.094 -0.001 0.000 1.272 168 V CA 0.207 62.514 62.300 0.010 0.000 1.079 168 V CB 0.480 32.313 31.823 0.017 0.000 0.829 168 V HN 0.833 nan 8.190 nan 0.000 0.454 169 V N -2.602 117.309 119.914 -0.005 0.000 3.108 169 V HA 0.774 4.894 4.120 -0.000 0.000 0.287 169 V C -0.962 175.129 176.094 -0.005 0.000 1.436 169 V CA -0.529 61.762 62.300 -0.016 0.000 1.001 169 V CB 1.459 33.271 31.823 -0.018 0.000 1.141 169 V HN -0.048 nan 8.190 nan 0.000 0.443 170 S N 1.560 117.250 115.700 -0.016 0.000 2.584 170 S HA 0.496 4.966 4.470 -0.000 0.000 0.282 170 S C -0.859 173.741 174.600 -0.001 0.000 1.138 170 S CA -0.374 57.829 58.200 0.005 0.000 0.987 170 S CB 1.465 64.644 63.200 -0.034 0.000 1.137 170 S HN 1.381 nan 8.310 nan 0.000 0.457 171 V N 5.957 125.878 119.914 0.012 0.000 2.557 171 V HA 0.107 4.227 4.120 -0.000 0.000 0.301 171 V C 0.757 176.858 176.094 0.011 0.000 1.026 171 V CA 0.432 62.735 62.300 0.004 0.000 1.137 171 V CB 0.123 31.950 31.823 0.008 0.000 0.917 171 V HN 0.779 nan 8.190 nan 0.000 0.484 172 L N 8.291 129.514 121.223 0.001 0.000 2.399 172 L HA 0.501 4.841 4.340 -0.000 0.000 0.266 172 L C -1.925 174.949 176.870 0.007 0.000 1.114 172 L CA -1.662 53.179 54.840 0.003 0.000 0.804 172 L CB 2.219 44.275 42.059 -0.004 0.000 1.146 172 L HN 0.479 nan 8.230 nan 0.000 0.451 173 P HA 0.288 nan 4.420 nan 0.000 0.290 173 P C -2.620 174.684 177.300 0.006 0.000 1.275 173 P CA -1.681 61.425 63.100 0.010 0.000 0.841 173 P CB 0.629 32.338 31.700 0.014 0.000 1.042 174 P HA -0.111 nan 4.420 nan 0.000 0.272 174 P C -0.557 176.745 177.300 0.003 0.000 1.210 174 P CA 0.408 63.509 63.100 0.002 0.000 0.789 174 P CB 0.392 32.093 31.700 0.002 0.000 0.849 175 R N 0.000 120.501 120.500 0.002 0.000 2.786 175 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 175 R CA 0.000 56.101 56.100 0.002 0.000 0.921 175 R CB 0.000 30.301 30.300 0.002 0.000 0.687 175 R HN 0.000 nan 8.270 nan 0.000 0.535