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 2zjp_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 0.000 176.273 176.300 -0.045 0.000 1.140 1 M CA 0.000 55.372 55.300 0.120 0.000 0.988 1 M CB 0.000 32.689 32.600 0.149 0.000 1.302 2 E N 2.130 122.312 120.200 -0.031 0.000 3.265 2 E HA 0.019 4.369 4.350 -0.000 0.000 0.262 2 E C 0.126 176.677 176.600 -0.082 0.000 1.480 2 E CA -0.170 56.186 56.400 -0.072 0.000 1.548 2 E CB -0.156 29.519 29.700 -0.041 0.000 1.330 2 E HN 0.399 nan 8.360 nan 0.000 0.431 3 L N 0.328 121.470 121.223 -0.136 0.000 2.584 3 L HA -0.018 4.322 4.340 -0.000 0.000 0.272 3 L C 0.983 177.790 176.870 -0.104 0.000 1.195 3 L CA 0.704 55.456 54.840 -0.147 0.000 0.920 3 L CB 0.620 42.492 42.059 -0.312 0.000 1.173 3 L HN 0.077 nan 8.230 nan 0.000 0.489 4 T N 2.409 116.942 114.554 -0.036 0.000 3.401 4 T HA 0.525 4.875 4.350 -0.000 0.000 0.225 4 T C 1.111 175.839 174.700 0.047 0.000 0.961 4 T CA 0.295 62.393 62.100 -0.004 0.000 1.429 4 T CB -0.772 68.094 68.868 -0.003 0.000 1.213 4 T HN 0.930 nan 8.240 nan 0.000 0.440 5 A N 2.601 125.449 122.820 0.047 0.000 2.325 5 A HA 0.417 4.737 4.320 -0.000 0.000 0.283 5 A C 0.740 178.393 177.584 0.116 0.000 1.211 5 A CA 0.790 52.864 52.037 0.062 0.000 0.850 5 A CB -0.238 18.789 19.000 0.045 0.000 1.122 5 A HN 0.985 nan 8.150 nan 0.000 0.515 6 K N -2.219 118.234 120.400 0.088 0.000 3.351 6 K HA 0.130 4.450 4.320 -0.000 0.000 0.110 6 K C -3.219 173.397 176.600 0.028 0.000 0.911 6 K CA -0.586 55.755 56.287 0.090 0.000 0.974 6 K CB -0.495 32.050 32.500 0.075 0.000 0.631 6 K HN 0.542 nan 8.250 nan 0.000 0.348 7 P HA 0.340 nan 4.420 nan 0.000 0.301 7 P C -0.089 177.221 177.300 0.016 0.000 1.309 7 P CA -0.587 62.521 63.100 0.013 0.000 0.782 7 P CB 1.194 32.902 31.700 0.013 0.000 1.282 8 R N -1.245 119.260 120.500 0.007 0.000 2.240 8 R HA 0.089 4.429 4.340 -0.000 0.000 0.203 8 R C 0.333 176.638 176.300 0.009 0.000 1.011 8 R CA 0.850 56.954 56.100 0.006 0.000 1.007 8 R CB -0.469 29.829 30.300 -0.003 0.000 0.911 8 R HN 0.558 nan 8.270 nan 0.000 0.468 9 T N 1.169 115.729 114.554 0.010 0.000 2.727 9 T HA 0.215 4.565 4.350 -0.000 0.000 0.298 9 T C -1.850 172.861 174.700 0.018 0.000 0.942 9 T CA -1.515 60.592 62.100 0.011 0.000 0.997 9 T CB 1.730 70.603 68.868 0.008 0.000 0.917 9 T HN 0.023 nan 8.240 nan 0.000 0.487 10 P HA 0.229 nan 4.420 nan 0.000 0.261 10 P C 0.988 178.301 177.300 0.021 0.000 1.352 10 P CA -0.237 62.878 63.100 0.025 0.000 0.891 10 P CB 0.506 32.224 31.700 0.030 0.000 1.383 11 K N 1.782 122.191 120.400 0.016 0.000 2.074 11 K HA -0.159 4.160 4.320 -0.000 0.000 0.209 11 K C 1.406 178.016 176.600 0.016 0.000 1.048 11 K CA 1.562 57.858 56.287 0.014 0.000 0.926 11 K CB -0.786 31.721 32.500 0.011 0.000 0.713 11 K HN 0.184 nan 8.250 nan 0.000 0.444 12 Q N 0.339 120.149 119.800 0.017 0.000 2.945 12 Q HA 0.062 4.402 4.340 -0.000 0.000 0.323 12 Q C -0.160 175.852 176.000 0.021 0.000 1.188 12 Q CA 0.198 56.011 55.803 0.017 0.000 0.929 12 Q CB -0.011 28.736 28.738 0.016 0.000 1.531 12 Q HN 0.454 nan 8.270 nan 0.000 0.444 13 K N -3.004 117.409 120.400 0.022 0.000 1.580 13 K HA -0.038 4.282 4.320 -0.000 0.000 0.094 13 K C 0.977 177.593 176.600 0.026 0.000 2.352 13 K CA -0.270 56.033 56.287 0.026 0.000 1.084 13 K CB -0.781 31.737 32.500 0.030 0.000 2.614 13 K HN 0.061 nan 8.250 nan 0.000 0.379 14 L N 2.418 123.656 121.223 0.025 0.000 2.013 14 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 14 L C 1.824 178.708 176.870 0.023 0.000 1.073 14 L CA 2.111 56.966 54.840 0.025 0.000 0.753 14 L CB -0.735 41.337 42.059 0.021 0.000 0.890 14 L HN 0.334 nan 8.230 nan 0.000 0.432 15 D N -0.346 120.066 120.400 0.020 0.000 2.091 15 D HA -0.073 4.567 4.640 -0.000 0.000 0.199 15 D C 0.695 177.007 176.300 0.021 0.000 0.980 15 D CA 1.000 55.011 54.000 0.019 0.000 0.831 15 D CB -0.089 40.720 40.800 0.016 0.000 0.987 15 D HN 0.293 nan 8.370 nan 0.000 0.460 16 E N 1.054 121.267 120.200 0.021 0.000 2.316 16 E HA 0.102 4.452 4.350 -0.000 0.000 0.275 16 E C -0.087 176.529 176.600 0.028 0.000 1.029 16 E CA -0.209 56.205 56.400 0.023 0.000 0.871 16 E CB 0.874 30.586 29.700 0.021 0.000 1.022 16 E HN -0.012 nan 8.360 nan 0.000 0.418 17 S N 4.689 120.407 115.700 0.030 0.000 3.068 17 S HA -0.014 4.456 4.470 -0.000 0.000 0.358 17 S C 0.045 174.671 174.600 0.043 0.000 1.007 17 S CA 0.036 58.259 58.200 0.038 0.000 1.853 17 S CB -0.576 62.648 63.200 0.039 0.000 1.250 17 S HN 0.339 nan 8.310 nan 0.000 0.639 18 M N 3.577 123.203 119.600 0.043 0.000 2.365 18 M HA 0.438 4.918 4.480 -0.000 0.000 0.287 18 M C -0.551 175.772 176.300 0.038 0.000 1.154 18 M CA -0.738 54.588 55.300 0.044 0.000 0.941 18 M CB 1.671 34.292 32.600 0.035 0.000 1.704 18 M HN 0.281 nan 8.290 nan 0.000 0.479 19 I N 1.571 122.160 120.570 0.031 0.000 3.468 19 I HA 0.702 4.872 4.170 -0.000 0.000 0.276 19 I C 0.634 176.747 176.117 -0.007 0.000 1.182 19 I CA -0.538 60.755 61.300 -0.012 0.000 0.881 19 I CB 0.593 38.529 38.000 -0.107 0.000 1.609 19 I HN 0.823 nan 8.210 nan 0.000 0.780 20 A N 0.783 123.591 122.820 -0.020 0.000 2.599 20 A HA 0.752 5.072 4.320 -0.000 0.000 0.281 20 A C -0.509 177.116 177.584 0.070 0.000 1.137 20 A CA -0.270 51.804 52.037 0.062 0.000 0.767 20 A CB 0.755 19.826 19.000 0.119 0.000 1.266 20 A HN 0.839 nan 8.150 nan 0.000 0.420 21 A N 1.172 124.025 122.820 0.055 0.000 2.468 21 A HA 0.981 5.301 4.320 -0.000 0.000 0.270 21 A C -0.348 177.403 177.584 0.279 0.000 1.217 21 A CA -0.172 51.892 52.037 0.045 0.000 0.908 21 A CB 1.338 20.417 19.000 0.132 0.000 1.423 21 A HN 2.119 nan 8.150 nan 0.000 0.459 22 V N -3.597 116.520 119.914 0.338 0.000 2.739 22 V HA 0.731 4.851 4.120 -0.000 0.000 0.293 22 V C -0.320 176.029 176.094 0.426 0.000 1.199 22 V CA -0.242 62.320 62.300 0.436 0.000 0.931 22 V CB 0.374 32.424 31.823 0.378 0.000 1.052 22 V HN 1.899 nan 8.190 nan 0.000 0.441 23 A N 4.570 127.698 122.820 0.514 0.000 2.269 23 A HA 1.162 5.482 4.320 -0.000 0.000 0.327 23 A C -0.576 177.127 177.584 0.199 0.000 1.112 23 A CA -0.137 52.058 52.037 0.263 0.000 0.865 23 A CB 1.477 20.704 19.000 0.380 0.000 1.227 23 A HN 2.369 nan 8.150 nan 0.000 0.498 24 Y N -3.022 117.378 120.300 0.166 0.000 3.074 24 Y HA 0.406 4.956 4.550 -0.000 0.000 0.399 24 Y C -0.365 175.510 175.900 -0.040 0.000 1.285 24 Y CA -0.620 57.522 58.100 0.070 0.000 1.129 24 Y CB -0.005 38.520 38.460 0.108 0.000 2.167 24 Y HN 0.718 nan 8.280 nan 0.000 0.412 25 N N -0.632 118.303 118.700 0.392 0.000 2.425 25 N HA 0.115 4.855 4.740 -0.000 0.000 0.317 25 N C 0.106 175.780 175.510 0.272 0.000 0.662 25 N CA 0.267 53.441 53.050 0.206 0.000 0.791 25 N CB 0.655 39.063 38.487 -0.132 0.000 2.252 25 N HN 0.875 nan 8.380 nan 0.000 1.331 26 K N -1.163 119.320 120.400 0.138 0.000 1.827 26 K HA 0.172 4.491 4.320 -0.000 0.000 0.124 26 K C -0.378 176.240 176.600 0.030 0.000 2.052 26 K CA 0.038 56.372 56.287 0.079 0.000 0.965 26 K CB -0.214 32.333 32.500 0.078 0.000 2.147 26 K HN 0.134 nan 8.250 nan 0.000 0.370 27 E N 1.479 121.689 120.200 0.017 0.000 3.018 27 E HA 0.137 4.487 4.350 -0.000 0.000 0.293 27 E C -0.588 176.005 176.600 -0.012 0.000 0.886 27 E CA -0.357 56.034 56.400 -0.015 0.000 1.132 27 E CB 0.024 29.694 29.700 -0.050 0.000 2.610 27 E HN 0.347 nan 8.360 nan 0.000 0.572 28 N N 2.530 121.211 118.700 -0.031 0.000 2.430 28 N HA 0.083 4.823 4.740 -0.000 0.000 0.265 28 N C -0.688 174.842 175.510 0.033 0.000 1.100 28 N CA 0.080 53.120 53.050 -0.018 0.000 0.961 28 N CB 0.418 38.880 38.487 -0.042 0.000 1.075 28 N HN 0.137 nan 8.380 nan 0.000 0.478 29 N N 1.361 120.077 118.700 0.027 0.000 2.458 29 N HA 0.072 4.812 4.740 -0.000 0.000 0.274 29 N C -0.350 175.134 175.510 -0.043 0.000 1.242 29 N CA -0.311 52.786 53.050 0.079 0.000 0.904 29 N CB 0.607 39.115 38.487 0.035 0.000 1.206 29 N HN 0.319 nan 8.380 nan 0.000 0.510 30 V N 1.321 121.136 119.914 -0.165 0.000 2.644 30 V HA -0.134 3.986 4.120 -0.000 0.000 0.303 30 V C 1.282 176.979 176.094 -0.661 0.000 1.058 30 V CA 0.387 62.439 62.300 -0.414 0.000 1.228 30 V CB -0.020 31.482 31.823 -0.534 0.000 0.861 30 V HN 0.339 nan 8.190 nan 0.000 0.484 31 S N 5.014 120.476 115.700 -0.397 0.000 2.560 31 S HA 0.462 4.932 4.470 -0.000 0.000 0.284 31 S C -0.514 173.859 174.600 -0.379 0.000 1.327 31 S CA -0.059 57.993 58.200 -0.247 0.000 1.055 31 S CB 0.047 63.186 63.200 -0.103 0.000 0.868 31 S HN 0.437 nan 8.310 nan 0.000 0.506 32 F N 1.214 121.194 119.950 0.049 0.000 2.876 32 F HA 0.784 5.311 4.527 -0.000 0.000 0.358 32 F C 0.055 175.861 175.800 0.010 0.000 1.209 32 F CA -0.727 57.275 58.000 0.004 0.000 1.051 32 F CB 1.677 40.646 39.000 -0.052 0.000 1.474 32 F HN 0.672 nan 8.300 nan 0.000 0.521 33 A N 1.846 124.812 122.820 0.244 0.000 1.476 33 A HA 0.451 4.771 4.320 -0.000 0.000 0.244 33 A C -1.554 176.046 177.584 0.026 0.000 1.127 33 A CA -0.724 51.377 52.037 0.105 0.000 0.900 33 A CB -0.732 18.327 19.000 0.098 0.000 0.969 33 A HN 0.660 nan 8.150 nan 0.000 0.390 34 L N -0.590 120.613 121.223 -0.034 0.000 2.569 34 L HA 0.842 5.182 4.340 -0.000 0.000 0.247 34 L C 0.480 177.356 176.870 0.010 0.000 1.135 34 L CA -0.558 54.252 54.840 -0.049 0.000 0.812 34 L CB 0.180 42.186 42.059 -0.089 0.000 1.431 34 L HN 0.508 nan 8.230 nan 0.000 0.499 35 D N -0.464 119.961 120.400 0.042 0.000 2.341 35 D HA 0.108 4.748 4.640 -0.000 0.000 0.245 35 D C 0.681 177.048 176.300 0.112 0.000 1.106 35 D CA -0.278 53.763 54.000 0.068 0.000 0.905 35 D CB 1.447 42.287 40.800 0.067 0.000 1.202 35 D HN 0.683 nan 8.370 nan 0.000 0.426 36 R N 3.167 123.725 120.500 0.097 0.000 2.277 36 R HA -0.175 4.165 4.340 -0.000 0.000 0.199 36 R C 2.034 178.430 176.300 0.160 0.000 1.020 36 R CA 1.507 57.682 56.100 0.124 0.000 0.911 36 R CB -0.365 29.987 30.300 0.087 0.000 0.725 36 R HN 0.551 nan 8.270 nan 0.000 0.483 37 K N -0.062 120.405 120.400 0.111 0.000 2.159 37 K HA -0.321 3.999 4.320 -0.000 0.000 0.217 37 K C 1.781 178.440 176.600 0.098 0.000 1.048 37 K CA 2.320 58.661 56.287 0.090 0.000 0.941 37 K CB -0.437 32.099 32.500 0.061 0.000 0.738 37 K HN 0.460 nan 8.250 nan 0.000 0.469 38 A N 0.963 123.854 122.820 0.118 0.000 1.844 38 A HA -0.229 4.091 4.320 -0.000 0.000 0.214 38 A C 1.974 179.650 177.584 0.153 0.000 1.217 38 A CA 1.810 53.922 52.037 0.126 0.000 0.644 38 A CB -1.366 17.723 19.000 0.148 0.000 0.850 38 A HN 0.575 nan 8.150 nan 0.000 0.456 39 F N 1.467 121.474 119.950 0.094 0.000 2.176 39 F HA -0.316 4.211 4.527 -0.000 0.000 0.301 39 F C 1.645 177.512 175.800 0.111 0.000 1.071 39 F CA 2.359 60.434 58.000 0.126 0.000 1.289 39 F CB -0.389 38.696 39.000 0.141 0.000 1.028 39 F HN 0.361 nan 8.300 nan 0.000 0.494 40 D N 0.211 120.713 120.400 0.170 0.000 2.106 40 D HA -0.243 4.397 4.640 -0.000 0.000 0.194 40 D C 2.255 178.513 176.300 -0.070 0.000 0.988 40 D CA 1.873 55.916 54.000 0.071 0.000 0.845 40 D CB -0.752 40.117 40.800 0.115 0.000 0.990 40 D HN 0.295 nan 8.370 nan 0.000 0.448 41 R N 0.472 120.949 120.500 -0.039 0.000 2.341 41 R HA -0.024 4.316 4.340 -0.000 0.000 0.213 41 R C 1.442 177.654 176.300 -0.147 0.000 1.082 41 R CA 1.030 57.084 56.100 -0.076 0.000 1.017 41 R CB 0.031 30.307 30.300 -0.039 0.000 0.860 41 R HN 0.199 nan 8.270 nan 0.000 0.473 42 A N 0.395 123.100 122.820 -0.193 0.000 1.919 42 A HA -0.006 4.314 4.320 -0.000 0.000 0.211 42 A C 1.660 179.028 177.584 -0.359 0.000 1.310 42 A CA 0.161 52.034 52.037 -0.275 0.000 0.651 42 A CB -0.732 18.155 19.000 -0.188 0.000 0.996 42 A HN 0.405 nan 8.150 nan 0.000 0.479 43 F N 1.633 121.147 119.950 -0.726 0.000 2.192 43 F HA -0.198 4.329 4.527 -0.000 0.000 0.301 43 F C 2.153 177.715 175.800 -0.398 0.000 1.079 43 F CA 1.857 59.442 58.000 -0.692 0.000 1.303 43 F CB -0.411 37.861 39.000 -1.213 0.000 1.024 43 F HN 0.278 nan 8.300 nan 0.000 0.494 44 R N 0.262 120.440 120.500 -0.536 0.000 2.154 44 R HA -0.265 4.075 4.340 -0.000 0.000 0.236 44 R C 2.238 178.249 176.300 -0.482 0.000 1.121 44 R CA 2.422 58.235 56.100 -0.479 0.000 0.915 44 R CB -0.539 29.607 30.300 -0.256 0.000 0.856 44 R HN 0.336 nan 8.270 nan 0.000 0.431 45 Q N 0.589 120.180 119.800 -0.348 0.000 1.579 45 Q HA -0.228 4.112 4.340 -0.000 0.000 0.490 45 Q C 2.098 177.920 176.000 -0.297 0.000 0.970 45 Q CA 1.763 57.403 55.803 -0.272 0.000 0.898 45 Q CB -1.031 27.574 28.738 -0.221 0.000 0.936 45 Q HN 0.542 nan 8.270 nan 0.000 0.385 46 Q N 0.753 120.398 119.800 -0.258 0.000 2.268 46 Q HA -0.213 4.127 4.340 -0.000 0.000 0.213 46 Q C 1.093 176.961 176.000 -0.220 0.000 0.995 46 Q CA 1.160 56.848 55.803 -0.191 0.000 0.901 46 Q CB -0.218 28.436 28.738 -0.140 0.000 0.921 46 Q HN 0.445 nan 8.270 nan 0.000 0.421 47 S N -0.820 114.606 115.700 -0.456 0.000 3.160 47 S HA -0.234 4.236 4.470 -0.000 0.000 0.634 47 S C 0.566 175.166 174.600 0.001 0.000 2.861 47 S CA 1.335 59.152 58.200 -0.637 0.000 3.097 47 S CB -0.970 61.971 63.200 -0.430 0.000 0.331 47 S HN 0.675 nan 8.310 nan 0.000 1.767 48 T N -0.069 114.605 114.554 0.200 0.000 3.802 48 T HA 0.434 4.784 4.350 -0.000 0.000 0.243 48 T C 0.719 175.480 174.700 0.102 0.000 0.934 48 T CA 0.729 62.961 62.100 0.220 0.000 0.931 48 T CB -1.300 67.687 68.868 0.199 0.000 1.167 48 T HN 1.226 nan 8.240 nan 0.000 0.655 49 T N -2.793 111.801 114.554 0.066 0.000 3.941 49 T HA 0.442 4.792 4.350 -0.000 0.000 0.320 49 T C 0.367 175.092 174.700 0.041 0.000 0.912 49 T CA -0.462 61.666 62.100 0.046 0.000 0.989 49 T CB 0.145 69.025 68.868 0.019 0.000 1.177 49 T HN 0.555 nan 8.240 nan 0.000 0.507 50 G N 2.423 111.260 108.800 0.062 0.000 2.782 50 G HA2 0.589 4.549 3.960 -0.000 0.000 0.280 50 G HA3 0.589 4.549 3.960 -0.000 0.000 0.280 50 G C -0.459 174.526 174.900 0.142 0.000 1.526 50 G CA -0.981 44.162 45.100 0.072 0.000 1.083 50 G HN 0.567 nan 8.290 nan 0.000 0.552 51 L N 0.807 122.128 121.223 0.163 0.000 2.360 51 L HA 0.769 5.109 4.340 -0.000 0.000 0.276 51 L C -0.402 176.652 176.870 0.307 0.000 1.121 51 L CA -0.750 54.219 54.840 0.214 0.000 0.845 51 L CB 0.585 42.737 42.059 0.155 0.000 1.143 51 L HN 0.272 nan 8.230 nan 0.000 0.452 52 F N 1.198 121.228 119.950 0.134 0.000 2.613 52 F HA 0.498 5.025 4.527 -0.000 0.000 0.342 52 F C -0.173 175.674 175.800 0.078 0.000 1.066 52 F CA -1.268 56.794 58.000 0.102 0.000 1.002 52 F CB 1.373 40.446 39.000 0.122 0.000 1.319 52 F HN 0.515 nan 8.300 nan 0.000 0.495 53 D N 2.968 122.870 120.400 -0.829 0.000 2.434 53 D HA 0.185 4.825 4.640 -0.000 0.000 0.252 53 D C -0.055 176.016 176.300 -0.382 0.000 1.185 53 D CA 0.999 54.629 54.000 -0.616 0.000 0.886 53 D CB 0.284 40.580 40.800 -0.839 0.000 1.148 53 D HN 0.328 nan 8.370 nan 0.000 0.483 54 I N 1.924 122.353 120.570 -0.236 0.000 2.905 54 I HA 0.020 4.190 4.170 -0.000 0.000 0.297 54 I C 0.055 175.991 176.117 -0.303 0.000 1.358 54 I CA -0.266 60.879 61.300 -0.258 0.000 0.975 54 I CB 0.472 38.337 38.000 -0.225 0.000 1.857 54 I HN 0.049 nan 8.210 nan 0.000 0.612 55 T N 3.090 117.476 114.554 -0.279 0.000 3.781 55 T HA 0.180 4.530 4.350 -0.000 0.000 0.286 55 T C 0.725 175.279 174.700 -0.243 0.000 1.277 55 T CA -0.181 61.755 62.100 -0.274 0.000 1.136 55 T CB -0.277 68.471 68.868 -0.201 0.000 1.202 55 T HN 0.082 nan 8.240 nan 0.000 0.884 56 V N 2.374 122.122 119.914 -0.278 0.000 3.083 56 V HA -0.049 4.071 4.120 -0.000 0.000 0.303 56 V C 1.189 177.211 176.094 -0.119 0.000 1.151 56 V CA -0.368 61.832 62.300 -0.167 0.000 1.275 56 V CB 0.142 31.936 31.823 -0.049 0.000 0.950 56 V HN 0.754 nan 8.190 nan 0.000 0.506 57 E N 2.051 122.211 120.200 -0.067 0.000 2.729 57 E HA 0.191 4.541 4.350 -0.000 0.000 0.246 57 E C 1.093 177.662 176.600 -0.052 0.000 0.984 57 E CA 0.927 57.296 56.400 -0.050 0.000 0.951 57 E CB -0.453 29.233 29.700 -0.024 0.000 0.914 57 E HN 1.009 nan 8.360 nan 0.000 0.509 58 G N 2.764 111.528 108.800 -0.059 0.000 2.545 58 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.195 58 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.195 58 G C 0.527 175.384 174.900 -0.071 0.000 1.009 58 G CA -0.226 44.841 45.100 -0.054 0.000 0.703 58 G HN 1.454 nan 8.290 nan 0.000 0.479 59 G N -0.014 108.722 108.800 -0.106 0.000 2.830 59 G HA2 0.326 4.286 3.960 -0.000 0.000 0.298 59 G HA3 0.326 4.286 3.960 -0.000 0.000 0.298 59 G C -0.383 174.419 174.900 -0.163 0.000 1.031 59 G CA 0.476 45.503 45.100 -0.121 0.000 1.179 59 G HN 1.185 nan 8.290 nan 0.000 0.527 60 E N 0.589 120.619 120.200 -0.284 0.000 4.172 60 E HA 0.148 4.498 4.350 -0.000 0.000 0.197 60 E C 0.409 176.567 176.600 -0.736 0.000 1.088 60 E CA -0.512 55.610 56.400 -0.463 0.000 1.461 60 E CB 0.412 29.745 29.700 -0.612 0.000 1.180 60 E HN 0.481 nan 8.360 nan 0.000 0.419 61 T N 1.507 115.856 114.554 -0.341 0.000 2.656 61 T HA -0.106 4.244 4.350 -0.000 0.000 0.258 61 T C -0.220 174.504 174.700 0.041 0.000 1.020 61 T CA 1.085 63.061 62.100 -0.207 0.000 1.191 61 T CB -0.255 68.556 68.868 -0.095 0.000 1.004 61 T HN 0.172 nan 8.240 nan 0.000 0.498 62 F N 5.153 125.066 119.950 -0.062 0.000 2.551 62 F HA 0.397 4.924 4.527 -0.000 0.000 0.316 62 F C -2.018 173.758 175.800 -0.038 0.000 1.089 62 F CA -2.959 55.020 58.000 -0.035 0.000 0.915 62 F CB 2.791 41.786 39.000 -0.008 0.000 1.186 62 F HN 0.300 nan 8.300 nan 0.000 0.456 63 P HA 0.409 nan 4.420 nan 0.000 0.293 63 P C -1.426 175.928 177.300 0.091 0.000 1.300 63 P CA -0.014 63.148 63.100 0.104 0.000 0.792 63 P CB 1.879 33.626 31.700 0.078 0.000 0.925 64 A N 3.657 126.559 122.820 0.135 0.000 2.569 64 A HA 0.761 5.080 4.320 -0.000 0.000 0.290 64 A C -1.896 175.811 177.584 0.205 0.000 1.136 64 A CA -0.695 51.435 52.037 0.156 0.000 0.710 64 A CB 1.461 20.604 19.000 0.238 0.000 1.303 64 A HN 0.486 nan 8.150 nan 0.000 0.413 65 L N 0.913 122.245 121.223 0.182 0.000 2.406 65 L HA 0.524 4.864 4.340 -0.000 0.000 0.272 65 L C -0.676 176.251 176.870 0.095 0.000 0.980 65 L CA -0.365 54.571 54.840 0.161 0.000 0.831 65 L CB 1.864 44.020 42.059 0.161 0.000 1.253 65 L HN 0.521 nan 8.230 nan 0.000 0.406 66 V N 5.335 125.244 119.914 -0.010 0.000 2.486 66 V HA -0.042 4.078 4.120 -0.000 0.000 0.290 66 V C 1.089 177.130 176.094 -0.088 0.000 0.991 66 V CA 0.251 62.432 62.300 -0.198 0.000 1.142 66 V CB -0.053 31.696 31.823 -0.123 0.000 0.926 66 V HN 0.846 nan 8.190 nan 0.000 0.472 67 K N 5.344 125.673 120.400 -0.118 0.000 2.189 67 K HA 0.504 4.824 4.320 -0.000 0.000 0.218 67 K C 0.620 177.174 176.600 -0.077 0.000 1.031 67 K CA 0.923 57.178 56.287 -0.053 0.000 0.962 67 K CB 0.026 32.517 32.500 -0.015 0.000 1.005 67 K HN 0.733 nan 8.250 nan 0.000 0.459 68 A N 0.994 123.765 122.820 -0.082 0.000 2.319 68 A HA 0.608 4.928 4.320 -0.000 0.000 0.310 68 A C -1.405 176.105 177.584 -0.124 0.000 1.152 68 A CA -0.735 51.261 52.037 -0.068 0.000 0.783 68 A CB 1.369 20.369 19.000 0.001 0.000 1.184 68 A HN 0.105 nan 8.150 nan 0.000 0.474 69 V N 3.170 122.989 119.914 -0.157 0.000 2.409 69 V HA 0.395 4.515 4.120 -0.000 0.000 0.291 69 V C -0.541 175.509 176.094 -0.073 0.000 1.020 69 V CA -0.641 61.544 62.300 -0.191 0.000 0.848 69 V CB 1.491 33.123 31.823 -0.318 0.000 0.990 69 V HN 0.848 nan 8.190 nan 0.000 0.430 70 Q N 5.752 125.541 119.800 -0.018 0.000 2.466 70 Q HA 0.433 4.773 4.340 -0.000 0.000 0.242 70 Q C -0.260 175.761 176.000 0.035 0.000 1.046 70 Q CA -0.420 55.402 55.803 0.032 0.000 0.841 70 Q CB 1.762 30.545 28.738 0.075 0.000 1.193 70 Q HN 0.858 nan 8.270 nan 0.000 0.508 71 M N -0.460 119.158 119.600 0.029 0.000 2.227 71 M HA 0.430 4.910 4.480 -0.000 0.000 0.316 71 M C 0.001 176.323 176.300 0.037 0.000 1.144 71 M CA -0.472 54.852 55.300 0.040 0.000 1.121 71 M CB 0.321 32.953 32.600 0.054 0.000 1.440 71 M HN 0.139 nan 8.290 nan 0.000 0.473 72 D N 1.606 122.028 120.400 0.037 0.000 2.345 72 D HA 0.257 4.897 4.640 -0.000 0.000 0.247 72 D C -0.446 175.870 176.300 0.026 0.000 1.108 72 D CA 0.083 54.101 54.000 0.030 0.000 0.894 72 D CB 0.923 41.740 40.800 0.029 0.000 1.203 72 D HN 0.506 nan 8.370 nan 0.000 0.430 73 K N 2.160 122.572 120.400 0.020 0.000 2.155 73 K HA 0.373 4.693 4.320 -0.000 0.000 0.237 73 K C 1.037 177.646 176.600 0.016 0.000 1.040 73 K CA -0.698 55.599 56.287 0.017 0.000 0.912 73 K CB 0.855 33.362 32.500 0.013 0.000 1.137 73 K HN 0.428 nan 8.250 nan 0.000 0.498 74 R N -0.658 119.850 120.500 0.013 0.000 3.793 74 R HA -0.255 4.085 4.340 -0.000 0.000 0.318 74 R C -0.530 175.779 176.300 0.015 0.000 0.729 74 R CA 1.877 57.985 56.100 0.013 0.000 1.731 74 R CB -1.126 29.181 30.300 0.012 0.000 1.879 74 R HN 0.557 nan 8.270 nan 0.000 0.498 75 K N 0.603 121.015 120.400 0.019 0.000 2.463 75 K HA 0.355 4.675 4.320 -0.000 0.000 0.255 75 K C 0.172 176.789 176.600 0.029 0.000 0.942 75 K CA -0.661 55.640 56.287 0.023 0.000 0.814 75 K CB 1.611 34.125 32.500 0.024 0.000 1.122 75 K HN 0.078 nan 8.250 nan 0.000 0.425 76 R N 0.847 121.365 120.500 0.030 0.000 2.355 76 R HA -0.061 4.279 4.340 -0.000 0.000 0.219 76 R C 0.708 177.038 176.300 0.051 0.000 1.107 76 R CA 0.511 56.633 56.100 0.037 0.000 1.021 76 R CB -0.358 29.961 30.300 0.033 0.000 0.852 76 R HN 0.546 nan 8.270 nan 0.000 0.475 77 A N 2.508 125.359 122.820 0.051 0.000 2.386 77 A HA 0.321 4.641 4.320 -0.000 0.000 0.248 77 A C -2.156 175.469 177.584 0.069 0.000 1.082 77 A CA -1.240 50.836 52.037 0.065 0.000 0.789 77 A CB 0.232 19.266 19.000 0.057 0.000 1.025 77 A HN -0.053 nan 8.150 nan 0.000 0.490 78 P HA 0.513 nan 4.420 nan 0.000 0.284 78 P C 0.478 177.805 177.300 0.045 0.000 1.287 78 P CA -0.514 62.629 63.100 0.072 0.000 0.824 78 P CB 1.176 32.946 31.700 0.117 0.000 1.180 79 I N -1.724 118.863 120.570 0.028 0.000 4.547 79 I HA 0.270 4.440 4.170 -0.000 0.000 0.303 79 I C -0.472 175.683 176.117 0.063 0.000 1.188 79 I CA 0.303 61.628 61.300 0.041 0.000 1.320 79 I CB 0.570 38.603 38.000 0.055 0.000 1.495 79 I HN 0.263 nan 8.210 nan 0.000 0.462 80 H N 0.733 119.763 119.070 -0.067 0.000 2.806 80 H HA 0.721 5.277 4.556 -0.000 0.000 0.367 80 H C -1.544 173.704 175.328 -0.133 0.000 1.136 80 H CA -0.550 55.453 56.048 -0.076 0.000 1.178 80 H CB 2.029 31.776 29.762 -0.025 0.000 1.718 80 H HN -0.104 nan 8.280 nan 0.000 0.540 81 V N 3.222 122.661 119.914 -0.792 0.000 2.962 81 V HA 0.358 4.478 4.120 -0.000 0.000 0.313 81 V C -0.902 174.863 176.094 -0.547 0.000 1.099 81 V CA -0.977 60.947 62.300 -0.626 0.000 0.971 81 V CB 2.193 33.558 31.823 -0.764 0.000 1.028 81 V HN 0.802 nan 8.190 nan 0.000 0.430 82 D N 2.067 122.270 120.400 -0.328 0.000 2.462 82 D HA 0.519 5.159 4.640 -0.000 0.000 0.245 82 D C -0.972 175.260 176.300 -0.114 0.000 1.122 82 D CA -0.026 53.913 54.000 -0.102 0.000 0.864 82 D CB 1.235 42.042 40.800 0.010 0.000 1.098 82 D HN 0.241 nan 8.370 nan 0.000 0.541 83 F N 1.636 121.515 119.950 -0.120 0.000 2.411 83 F HA 0.234 4.761 4.527 0.000 0.000 0.350 83 F C 0.147 175.840 175.800 -0.179 0.000 1.114 83 F CA -0.764 57.188 58.000 -0.080 0.000 1.135 83 F CB 0.752 39.732 39.000 -0.033 0.000 1.120 83 F HN 0.237 nan 8.300 nan 0.000 0.495 84 Y N 5.500 125.757 120.300 -0.072 0.000 2.721 84 Y HA 0.373 4.923 4.550 -0.000 0.000 0.328 84 Y C -0.114 175.787 175.900 0.000 0.000 1.003 84 Y CA -1.591 56.416 58.100 -0.155 0.000 1.275 84 Y CB 0.160 38.561 38.460 -0.099 0.000 1.097 84 Y HN 0.425 nan 8.280 nan 0.000 0.514 85 M N 4.460 123.850 119.600 -0.350 0.000 2.175 85 M HA -0.098 4.382 4.480 -0.000 0.000 0.355 85 M C 0.473 176.618 176.300 -0.257 0.000 1.102 85 M CA 0.781 55.946 55.300 -0.226 0.000 0.886 85 M CB -0.101 32.368 32.600 -0.219 0.000 1.730 85 M HN 0.361 nan 8.290 nan 0.000 0.475 86 V N 4.689 124.561 119.914 -0.070 0.000 3.747 86 V HA -0.013 4.107 4.120 -0.000 0.000 0.299 86 V C 1.268 177.338 176.094 -0.040 0.000 1.103 86 V CA 0.501 62.794 62.300 -0.012 0.000 1.154 86 V CB 0.311 32.161 31.823 0.045 0.000 1.127 86 V HN 1.055 nan 8.190 nan 0.000 0.482 87 T N -1.933 112.643 114.554 0.037 0.000 3.426 87 T HA 0.240 4.590 4.350 -0.000 0.000 0.195 87 T C 0.228 175.041 174.700 0.190 0.000 0.963 87 T CA 1.080 63.222 62.100 0.070 0.000 1.154 87 T CB 0.336 69.260 68.868 0.095 0.000 1.377 87 T HN 0.731 nan 8.240 nan 0.000 0.342 88 Y N -0.576 119.729 120.300 0.010 0.000 2.695 88 Y HA 0.199 4.749 4.550 -0.000 0.000 0.199 88 Y C 1.353 177.264 175.900 0.018 0.000 0.932 88 Y CA 0.733 58.840 58.100 0.010 0.000 1.554 88 Y CB -0.309 38.153 38.460 0.004 0.000 1.262 88 Y HN 0.307 nan 8.280 nan 0.000 0.379 89 G N -0.010 108.875 108.800 0.141 0.000 3.104 89 G HA2 0.418 4.378 3.960 -0.000 0.000 0.237 89 G HA3 0.418 4.378 3.960 -0.000 0.000 0.237 89 G C -0.545 174.390 174.900 0.058 0.000 1.035 89 G CA 0.308 45.426 45.100 0.029 0.000 0.844 89 G HN 0.064 nan 8.290 nan 0.000 0.531 90 E N -0.099 120.157 120.200 0.094 0.000 2.531 90 E HA 0.150 4.500 4.350 -0.000 0.000 0.323 90 E C -2.296 174.377 176.600 0.122 0.000 0.908 90 E CA -0.897 55.557 56.400 0.090 0.000 0.792 90 E CB 2.996 32.745 29.700 0.082 0.000 1.360 90 E HN 0.055 nan 8.360 nan 0.000 0.394 91 P HA 0.042 nan 4.420 nan 0.000 0.216 91 P C 0.802 178.267 177.300 0.275 0.000 1.151 91 P CA 1.350 64.581 63.100 0.218 0.000 0.863 91 P CB 1.039 32.855 31.700 0.194 0.000 0.790 92 V N -4.706 115.299 119.914 0.152 0.000 7.245 92 V HA 0.229 4.349 4.120 -0.000 0.000 0.049 92 V C -1.258 174.863 176.094 0.045 0.000 0.768 92 V CA -0.726 61.621 62.300 0.078 0.000 0.501 92 V CB -0.281 31.538 31.823 -0.006 0.000 0.931 92 V HN 0.005 nan 8.190 nan 0.000 0.747 93 E N -0.351 119.862 120.200 0.021 0.000 2.331 93 E HA 0.771 5.121 4.350 -0.000 0.000 0.275 93 E C -1.595 175.018 176.600 0.022 0.000 0.895 93 E CA -0.502 55.909 56.400 0.019 0.000 0.753 93 E CB 3.137 32.840 29.700 0.005 0.000 1.216 93 E HN 0.551 nan 8.360 nan 0.000 0.434 94 V N 0.683 120.615 119.914 0.030 0.000 3.166 94 V HA 0.509 4.629 4.120 -0.000 0.000 0.317 94 V C -0.413 175.700 176.094 0.032 0.000 1.136 94 V CA -0.852 61.469 62.300 0.036 0.000 1.035 94 V CB 2.170 34.020 31.823 0.044 0.000 1.110 94 V HN 0.612 nan 8.190 nan 0.000 0.450 95 S N 0.842 116.565 115.700 0.039 0.000 2.566 95 S HA 0.574 5.044 4.470 -0.000 0.000 0.324 95 S C -0.639 173.988 174.600 0.044 0.000 1.081 95 S CA -0.413 57.812 58.200 0.041 0.000 1.105 95 S CB 1.266 64.494 63.200 0.047 0.000 0.981 95 S HN 0.440 nan 8.310 nan 0.000 0.464 96 V N 6.507 126.445 119.914 0.040 0.000 2.347 96 V HA 0.409 4.529 4.120 -0.000 0.000 0.280 96 V C -1.943 174.186 176.094 0.059 0.000 1.021 96 V CA -2.078 60.246 62.300 0.040 0.000 0.847 96 V CB 1.206 33.044 31.823 0.026 0.000 0.990 96 V HN 0.602 nan 8.190 nan 0.000 0.444 97 P HA 0.203 nan 4.420 nan 0.000 0.272 97 P C -0.598 176.800 177.300 0.162 0.000 1.240 97 P CA -0.019 63.150 63.100 0.116 0.000 0.791 97 P CB 1.290 33.072 31.700 0.136 0.000 0.978 98 V N 1.660 121.653 119.914 0.132 0.000 2.713 98 V HA 0.359 4.479 4.120 -0.000 0.000 0.307 98 V C 0.286 176.486 176.094 0.177 0.000 1.052 98 V CA -0.107 62.274 62.300 0.135 0.000 0.967 98 V CB 0.948 32.788 31.823 0.028 0.000 1.019 98 V HN 0.689 nan 8.190 nan 0.000 0.459 99 H N 0.288 119.329 119.070 -0.048 0.000 3.971 99 H HA 0.825 5.381 4.556 -0.000 0.000 0.370 99 H C -0.547 174.751 175.328 -0.049 0.000 1.647 99 H CA -0.327 55.689 56.048 -0.053 0.000 1.211 99 H CB 1.660 31.398 29.762 -0.041 0.000 1.343 99 H HN 0.697 nan 8.280 nan 0.000 0.748 100 T N -0.052 114.579 114.554 0.128 0.000 2.927 100 T HA 0.511 4.861 4.350 -0.000 0.000 0.350 100 T C -1.598 173.126 174.700 0.040 0.000 1.746 100 T CA -0.515 61.612 62.100 0.046 0.000 1.081 100 T CB 1.218 70.087 68.868 0.002 0.000 1.551 100 T HN 0.893 nan 8.240 nan 0.000 0.489 101 T N -1.102 113.464 114.554 0.020 0.000 2.853 101 T HA 0.800 5.150 4.350 -0.000 0.000 0.311 101 T C 0.185 174.887 174.700 0.004 0.000 1.307 101 T CA -0.120 61.988 62.100 0.012 0.000 1.019 101 T CB 1.474 70.347 68.868 0.009 0.000 1.264 101 T HN 1.927 nan 8.240 nan 0.000 0.497 102 G N 0.974 109.775 108.800 0.002 0.000 2.797 102 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.686 102 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.686 102 G C -0.386 174.513 174.900 -0.001 0.000 1.452 102 G CA -0.364 44.736 45.100 -0.001 0.000 0.986 102 G HN 1.032 nan 8.290 nan 0.000 0.595 103 R N 1.269 121.768 120.500 -0.002 0.000 2.522 103 R HA 0.386 4.726 4.340 -0.000 0.000 0.284 103 R C 0.944 177.243 176.300 -0.002 0.000 1.032 103 R CA 0.320 56.418 56.100 -0.003 0.000 1.049 103 R CB 0.112 30.410 30.300 -0.003 0.000 0.956 103 R HN 0.609 nan 8.270 nan 0.000 0.422 104 S N 3.321 119.020 115.700 -0.002 0.000 2.585 104 S HA 0.018 4.488 4.470 -0.000 0.000 0.273 104 S C 0.041 174.641 174.600 0.000 0.000 1.339 104 S CA -0.464 57.736 58.200 -0.000 0.000 1.028 104 S CB 1.251 64.451 63.200 -0.001 0.000 0.906 104 S HN 0.629 nan 8.310 nan 0.000 0.528 105 Q N 1.005 120.806 119.800 0.002 0.000 3.122 105 Q HA 0.357 4.697 4.340 -0.000 0.000 0.360 105 Q C 0.892 176.894 176.000 0.003 0.000 1.300 105 Q CA -0.328 55.475 55.803 0.001 0.000 0.982 105 Q CB 0.101 28.839 28.738 0.001 0.000 1.534 105 Q HN 0.972 nan 8.270 nan 0.000 0.474 106 G N -0.101 108.701 108.800 0.003 0.000 3.842 106 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.153 106 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.153 106 G C 0.698 175.600 174.900 0.004 0.000 1.165 106 G CA -0.192 44.911 45.100 0.005 0.000 0.819 106 G HN 0.343 nan 8.290 nan 0.000 0.717 107 E N 0.440 120.641 120.200 0.001 0.000 2.021 107 E HA 0.011 4.361 4.350 -0.000 0.000 0.189 107 E C 2.345 178.944 176.600 -0.001 0.000 0.980 107 E CA 1.361 57.760 56.400 -0.001 0.000 0.803 107 E CB 0.110 29.808 29.700 -0.003 0.000 0.766 107 E HN 0.129 nan 8.360 nan 0.000 0.449 108 V N 1.471 121.385 119.914 -0.001 0.000 2.809 108 V HA -0.193 3.927 4.120 -0.000 0.000 0.256 108 V C 2.167 178.260 176.094 -0.000 0.000 1.080 108 V CA 1.375 63.675 62.300 -0.001 0.000 1.102 108 V CB -0.488 31.335 31.823 -0.001 0.000 0.705 108 V HN 0.290 nan 8.190 nan 0.000 0.475 109 Q N 0.627 120.427 119.800 0.000 0.000 2.061 109 Q HA -0.080 4.260 4.340 -0.000 0.000 0.204 109 Q C 1.893 177.893 176.000 0.001 0.000 0.984 109 Q CA 1.720 57.523 55.803 0.001 0.000 0.846 109 Q CB -0.165 28.574 28.738 0.001 0.000 0.902 109 Q HN 0.706 nan 8.270 nan 0.000 0.421 110 G N -1.386 107.415 108.800 0.002 0.000 4.511 110 G HA2 0.191 4.151 3.960 -0.000 0.000 0.220 110 G HA3 0.191 4.151 3.960 -0.000 0.000 0.220 110 G C -0.080 174.823 174.900 0.004 0.000 0.733 110 G CA -0.170 44.931 45.100 0.002 0.000 0.897 110 G HN 0.534 nan 8.290 nan 0.000 0.691 111 G N -0.729 108.073 108.800 0.004 0.000 2.782 111 G HA2 0.715 4.674 3.960 -0.000 0.000 0.304 111 G HA3 0.715 4.674 3.960 -0.000 0.000 0.304 111 G C -1.983 172.919 174.900 0.003 0.000 1.315 111 G CA -0.635 44.468 45.100 0.005 0.000 0.791 111 G HN 0.825 nan 8.290 nan 0.000 0.519 112 L N -0.182 121.043 121.223 0.003 0.000 2.341 112 L HA 0.816 5.156 4.340 -0.000 0.000 0.267 112 L C -0.294 176.576 176.870 -0.000 0.000 1.009 112 L CA -0.935 53.904 54.840 -0.001 0.000 0.819 112 L CB 2.196 44.253 42.059 -0.004 0.000 1.323 112 L HN 0.396 nan 8.230 nan 0.000 0.425 113 V N 2.258 122.168 119.914 -0.006 0.000 2.567 113 V HA 0.474 4.594 4.120 -0.000 0.000 0.289 113 V C -0.757 175.325 176.094 -0.021 0.000 1.049 113 V CA -0.450 61.846 62.300 -0.008 0.000 0.969 113 V CB 1.402 33.219 31.823 -0.010 0.000 0.995 113 V HN 0.805 nan 8.190 nan 0.000 0.471 114 D N 2.263 122.648 120.400 -0.025 0.000 2.787 114 D HA 0.444 5.084 4.640 -0.000 0.000 0.246 114 D C -0.559 175.705 176.300 -0.060 0.000 1.150 114 D CA -0.494 53.481 54.000 -0.041 0.000 0.864 114 D CB 1.586 42.370 40.800 -0.027 0.000 1.481 114 D HN 0.438 nan 8.370 nan 0.000 0.509 115 I N 4.641 125.152 120.570 -0.098 0.000 2.311 115 I HA 0.049 4.219 4.170 -0.000 0.000 0.297 115 I C 1.504 177.581 176.117 -0.066 0.000 1.131 115 I CA -0.466 60.759 61.300 -0.125 0.000 1.289 115 I CB 0.923 38.759 38.000 -0.273 0.000 1.446 115 I HN 0.329 nan 8.210 nan 0.000 0.524 116 V N 6.460 126.351 119.914 -0.038 0.000 2.453 116 V HA -0.170 3.950 4.120 -0.000 0.000 0.252 116 V C 0.879 177.003 176.094 0.051 0.000 1.068 116 V CA 1.247 63.542 62.300 -0.008 0.000 1.070 116 V CB -0.559 31.236 31.823 -0.047 0.000 0.664 116 V HN 0.711 nan 8.190 nan 0.000 0.461 117 V N -3.718 116.228 119.914 0.052 0.000 2.462 117 V HA 0.535 4.655 4.120 -0.000 0.000 0.288 117 V C 0.655 176.819 176.094 0.117 0.000 1.020 117 V CA -0.909 61.455 62.300 0.106 0.000 0.857 117 V CB 0.969 32.823 31.823 0.053 0.000 1.013 117 V HN 0.234 nan 8.190 nan 0.000 0.431 118 H N 3.303 122.362 119.070 -0.019 0.000 2.610 118 H HA -0.045 4.511 4.556 -0.000 0.000 0.298 118 H C 1.321 176.645 175.328 -0.007 0.000 1.035 118 H CA 2.674 58.707 56.048 -0.024 0.000 1.123 118 H CB -0.154 29.590 29.762 -0.030 0.000 1.447 118 H HN 0.842 nan 8.280 nan 0.000 0.659 119 N N 0.856 119.651 118.700 0.158 0.000 2.497 119 N HA 0.111 4.851 4.740 -0.000 0.000 0.271 119 N C -0.974 174.577 175.510 0.068 0.000 1.142 119 N CA -0.061 53.045 53.050 0.092 0.000 0.965 119 N CB 0.358 38.892 38.487 0.077 0.000 1.077 119 N HN 0.307 nan 8.380 nan 0.000 0.462 120 L N 2.220 123.477 121.223 0.056 0.000 2.346 120 L HA 0.427 4.767 4.340 -0.000 0.000 0.274 120 L C -0.625 176.266 176.870 0.035 0.000 1.007 120 L CA -0.790 54.074 54.840 0.041 0.000 0.818 120 L CB 1.639 43.719 42.059 0.036 0.000 1.284 120 L HN 0.657 nan 8.230 nan 0.000 0.424 121 Q N 4.683 124.500 119.800 0.028 0.000 2.309 121 Q HA 0.612 4.952 4.340 -0.000 0.000 0.264 121 Q C -1.188 174.824 176.000 0.020 0.000 1.008 121 Q CA -0.709 55.109 55.803 0.024 0.000 0.853 121 Q CB 2.143 30.894 28.738 0.021 0.000 1.314 121 Q HN 0.697 nan 8.270 nan 0.000 0.448 122 I N -0.674 119.907 120.570 0.020 0.000 3.067 122 I HA 0.648 4.818 4.170 -0.000 0.000 0.312 122 I C -0.846 175.281 176.117 0.017 0.000 1.073 122 I CA -1.312 59.998 61.300 0.017 0.000 1.016 122 I CB 1.852 39.861 38.000 0.016 0.000 1.227 122 I HN 0.290 nan 8.210 nan 0.000 0.456 123 V N 2.761 122.685 119.914 0.016 0.000 2.481 123 V HA 0.574 4.694 4.120 -0.000 0.000 0.286 123 V C 0.572 176.677 176.094 0.019 0.000 1.042 123 V CA 0.092 62.402 62.300 0.017 0.000 0.928 123 V CB 1.016 32.848 31.823 0.015 0.000 0.986 123 V HN 1.184 nan 8.190 nan 0.000 0.462 124 A N 6.358 129.192 122.820 0.023 0.000 1.679 124 A HA -0.092 4.228 4.320 -0.000 0.000 0.221 124 A C -1.286 176.313 177.584 0.025 0.000 1.286 124 A CA 0.475 52.529 52.037 0.027 0.000 0.693 124 A CB -0.956 18.058 19.000 0.024 0.000 1.179 124 A HN 0.725 nan 8.150 nan 0.000 0.226 125 P HA 0.281 nan 4.420 nan 0.000 0.209 125 P C 0.909 178.221 177.300 0.020 0.000 1.203 125 P CA 1.640 64.756 63.100 0.026 0.000 0.916 125 P CB -0.003 31.718 31.700 0.036 0.000 0.763 126 G N 0.501 109.316 108.800 0.025 0.000 2.594 126 G HA2 0.036 3.996 3.960 -0.000 0.000 0.422 126 G HA3 0.036 3.996 3.960 -0.000 0.000 0.422 126 G C -3.301 171.605 174.900 0.009 0.000 1.190 126 G CA -0.878 44.229 45.100 0.012 0.000 1.234 126 G HN 0.017 nan 8.290 nan 0.000 0.584 127 P HA 0.197 nan 4.420 nan 0.000 0.266 127 P C 1.045 178.333 177.300 -0.019 0.000 1.186 127 P CA 1.069 64.177 63.100 0.012 0.000 0.767 127 P CB 0.445 32.155 31.700 0.016 0.000 0.820 128 R N 0.636 121.134 120.500 -0.004 0.000 3.789 128 R HA -0.242 4.098 4.340 -0.000 0.000 0.414 128 R C -0.483 175.813 176.300 -0.007 0.000 0.593 128 R CA 1.214 57.306 56.100 -0.013 0.000 1.562 128 R CB -1.563 28.706 30.300 -0.050 0.000 2.091 128 R HN 0.461 nan 8.270 nan 0.000 0.382 129 R N 0.623 121.119 120.500 -0.007 0.000 2.734 129 R HA 0.444 4.784 4.340 -0.000 0.000 0.268 129 R C -1.382 174.919 176.300 0.002 0.000 1.785 129 R CA -0.524 55.573 56.100 -0.005 0.000 1.461 129 R CB 1.166 31.458 30.300 -0.014 0.000 1.308 129 R HN 0.086 nan 8.270 nan 0.000 0.586 130 I N 2.404 122.980 120.570 0.010 0.000 2.411 130 I HA 0.324 4.494 4.170 -0.000 0.000 0.284 130 I C -2.161 173.960 176.117 0.006 0.000 1.012 130 I CA -2.439 58.870 61.300 0.015 0.000 1.119 130 I CB 1.446 39.464 38.000 0.031 0.000 1.261 130 I HN 0.187 nan 8.210 nan 0.000 0.448 131 P HA -0.005 nan 4.420 nan 0.000 0.261 131 P C 0.034 177.324 177.300 -0.017 0.000 1.173 131 P CA -0.064 63.026 63.100 -0.017 0.000 0.760 131 P CB 0.354 32.042 31.700 -0.020 0.000 0.783 132 Q N 2.206 121.987 119.800 -0.032 0.000 2.280 132 Q HA 0.123 4.463 4.340 -0.000 0.000 0.201 132 Q C 0.257 176.223 176.000 -0.058 0.000 0.890 132 Q CA -0.066 55.716 55.803 -0.036 0.000 0.947 132 Q CB 0.221 28.934 28.738 -0.041 0.000 1.081 132 Q HN 0.666 nan 8.270 nan 0.000 0.502 133 E N -0.242 119.909 120.200 -0.082 0.000 2.221 133 E HA 0.579 4.929 4.350 -0.000 0.000 0.242 133 E C -1.536 174.974 176.600 -0.149 0.000 1.218 133 E CA -1.168 55.133 56.400 -0.166 0.000 0.912 133 E CB 1.054 30.574 29.700 -0.301 0.000 1.771 133 E HN 0.016 nan 8.360 nan 0.000 0.490 134 L N 0.952 122.020 121.223 -0.258 0.000 3.535 134 L HA 0.258 4.598 4.340 -0.000 0.000 0.231 134 L C -2.032 174.766 176.870 -0.120 0.000 0.986 134 L CA -0.171 54.594 54.840 -0.125 0.000 1.318 134 L CB 1.496 43.542 42.059 -0.020 0.000 1.793 134 L HN 0.523 nan 8.230 nan 0.000 0.685 135 V N 4.388 124.228 119.914 -0.123 0.000 2.461 135 V HA 0.643 4.763 4.120 -0.000 0.000 0.275 135 V C 0.005 176.092 176.094 -0.010 0.000 1.047 135 V CA -0.346 61.922 62.300 -0.054 0.000 0.955 135 V CB 1.523 33.307 31.823 -0.066 0.000 0.988 135 V HN 0.411 nan 8.190 nan 0.000 0.471 136 V N 3.507 123.431 119.914 0.018 0.000 2.709 136 V HA 0.364 4.484 4.120 -0.000 0.000 0.308 136 V C -0.154 175.946 176.094 0.011 0.000 1.062 136 V CA -0.866 61.441 62.300 0.012 0.000 0.901 136 V CB 2.070 33.903 31.823 0.016 0.000 1.003 136 V HN 0.887 nan 8.190 nan 0.000 0.425 137 D N 2.142 122.546 120.400 0.006 0.000 2.419 137 D HA 0.172 4.812 4.640 -0.000 0.000 0.236 137 D C 0.688 176.992 176.300 0.006 0.000 1.165 137 D CA 0.927 54.930 54.000 0.005 0.000 0.882 137 D CB 1.756 42.557 40.800 0.003 0.000 1.201 137 D HN 0.480 nan 8.370 nan 0.000 0.443 138 V N -1.033 118.884 119.914 0.005 0.000 3.180 138 V HA 0.021 4.141 4.120 -0.000 0.000 0.246 138 V C 2.015 178.112 176.094 0.005 0.000 1.545 138 V CA 0.533 62.836 62.300 0.005 0.000 1.138 138 V CB -0.556 31.267 31.823 0.001 0.000 0.978 138 V HN 0.525 nan 8.190 nan 0.000 0.437 139 T N 3.143 117.699 114.554 0.003 0.000 2.481 139 T HA -0.352 3.998 4.350 -0.000 0.000 0.252 139 T C 1.769 176.470 174.700 0.003 0.000 1.242 139 T CA 3.630 65.731 62.100 0.002 0.000 1.170 139 T CB -0.712 68.157 68.868 0.001 0.000 0.860 139 T HN 0.876 nan 8.240 nan 0.000 0.422 140 K N 1.213 121.615 120.400 0.003 0.000 2.184 140 K HA -0.195 4.125 4.320 -0.000 0.000 0.210 140 K C 0.947 177.550 176.600 0.004 0.000 1.048 140 K CA 1.344 57.633 56.287 0.003 0.000 0.931 140 K CB -0.904 31.598 32.500 0.003 0.000 0.718 140 K HN 0.392 nan 8.250 nan 0.000 0.465 141 M N 2.130 121.735 119.600 0.008 0.000 2.252 141 M HA 0.034 4.514 4.480 -0.000 0.000 0.348 141 M C 0.500 176.806 176.300 0.010 0.000 1.334 141 M CA 0.128 55.436 55.300 0.013 0.000 1.071 141 M CB 0.450 33.063 32.600 0.023 0.000 1.763 141 M HN 0.220 nan 8.290 nan 0.000 0.452 142 N N 3.178 121.884 118.700 0.009 0.000 2.137 142 N HA 0.416 5.156 4.740 -0.000 0.000 0.170 142 N C 0.055 175.572 175.510 0.011 0.000 1.308 142 N CA 0.100 53.154 53.050 0.005 0.000 1.065 142 N CB 0.358 38.844 38.487 -0.002 0.000 1.282 142 N HN 0.514 nan 8.380 nan 0.000 0.393 143 I N 0.728 121.301 120.570 0.005 0.000 2.802 143 I HA 0.413 4.583 4.170 -0.000 0.000 0.307 143 I C 0.338 176.460 176.117 0.008 0.000 1.232 143 I CA -0.280 61.026 61.300 0.010 0.000 1.060 143 I CB 0.616 38.618 38.000 0.004 0.000 1.866 143 I HN 0.618 nan 8.210 nan 0.000 0.568 144 G N 1.321 110.138 108.800 0.028 0.000 2.161 144 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.140 144 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.140 144 G C -0.580 174.279 174.900 -0.068 0.000 1.040 144 G CA -0.841 44.264 45.100 0.010 0.000 0.735 144 G HN 0.370 nan 8.290 nan 0.000 0.496 145 D N 1.375 121.794 120.400 0.032 0.000 2.352 145 D HA 0.343 4.983 4.640 -0.000 0.000 0.245 145 D C 0.340 176.743 176.300 0.172 0.000 1.224 145 D CA 0.270 54.287 54.000 0.029 0.000 0.879 145 D CB 0.016 40.832 40.800 0.027 0.000 1.057 145 D HN 0.569 nan 8.370 nan 0.000 0.491 146 H N 2.999 122.068 119.070 -0.001 0.000 2.690 146 H HA 0.199 4.755 4.556 -0.000 0.000 0.289 146 H C 0.184 175.512 175.328 -0.000 0.000 1.089 146 H CA -1.084 54.964 56.048 -0.000 0.000 1.299 146 H CB 0.933 30.696 29.762 0.001 0.000 1.405 146 H HN 0.180 nan 8.280 nan 0.000 0.463 147 I N 3.829 124.465 120.570 0.110 0.000 2.441 147 I HA 0.034 4.204 4.170 -0.000 0.000 0.287 147 I C 1.191 177.335 176.117 0.045 0.000 1.049 147 I CA -0.072 61.263 61.300 0.058 0.000 1.381 147 I CB 0.810 38.831 38.000 0.034 0.000 1.409 147 I HN 0.610 nan 8.210 nan 0.000 0.523 148 T N 1.828 116.406 114.554 0.039 0.000 2.926 148 T HA 0.652 5.002 4.350 -0.000 0.000 0.289 148 T C 1.068 175.780 174.700 0.021 0.000 1.054 148 T CA -0.220 61.898 62.100 0.029 0.000 1.015 148 T CB 1.843 70.731 68.868 0.033 0.000 1.167 148 T HN 0.522 nan 8.240 nan 0.000 0.526 149 A N 0.602 123.433 122.820 0.017 0.000 1.978 149 A HA 0.143 4.463 4.320 -0.000 0.000 0.220 149 A C 2.320 179.912 177.584 0.014 0.000 1.170 149 A CA 1.860 53.906 52.037 0.015 0.000 0.636 149 A CB -1.684 17.324 19.000 0.014 0.000 0.810 149 A HN 1.281 nan 8.150 nan 0.000 0.448 150 G N -1.185 107.625 108.800 0.015 0.000 2.615 150 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.213 150 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.213 150 G C 0.671 175.579 174.900 0.012 0.000 1.135 150 G CA 1.251 46.359 45.100 0.013 0.000 0.772 150 G HN 0.544 nan 8.290 nan 0.000 0.542 151 D N -0.219 120.188 120.400 0.013 0.000 3.194 151 D HA 0.100 4.740 4.640 -0.000 0.000 0.290 151 D C 1.248 177.553 176.300 0.008 0.000 1.280 151 D CA -0.443 53.564 54.000 0.011 0.000 1.058 151 D CB -0.160 40.649 40.800 0.014 0.000 1.241 151 D HN 0.180 nan 8.370 nan 0.000 0.421 152 I N 2.983 123.559 120.570 0.009 0.000 3.114 152 I HA -0.163 4.007 4.170 -0.000 0.000 0.320 152 I C 0.529 176.649 176.117 0.004 0.000 1.230 152 I CA 0.388 61.692 61.300 0.007 0.000 1.440 152 I CB 0.140 38.146 38.000 0.009 0.000 1.334 152 I HN -0.130 nan 8.210 nan 0.000 0.532 153 K N 7.829 128.229 120.400 0.000 0.000 2.401 153 K HA 0.321 4.641 4.320 -0.000 0.000 0.278 153 K C -0.376 176.222 176.600 -0.004 0.000 1.018 153 K CA -0.139 56.147 56.287 -0.002 0.000 0.981 153 K CB 0.637 33.135 32.500 -0.005 0.000 0.933 153 K HN 0.491 nan 8.250 nan 0.000 0.477 154 L N 4.643 125.865 121.223 -0.003 0.000 2.309 154 L HA 0.250 4.590 4.340 -0.000 0.000 0.282 154 L C -1.428 175.438 176.870 -0.006 0.000 1.036 154 L CA -2.021 52.817 54.840 -0.003 0.000 0.806 154 L CB 1.276 43.335 42.059 0.000 0.000 1.220 154 L HN 0.389 nan 8.230 nan 0.000 0.429 155 P HA -0.075 nan 4.420 nan 0.000 0.235 155 P C -0.098 177.197 177.300 -0.008 0.000 1.670 155 P CA 0.186 63.279 63.100 -0.011 0.000 1.017 155 P CB -0.131 31.561 31.700 -0.014 0.000 1.945 156 E N 0.530 120.726 120.200 -0.007 0.000 2.708 156 E HA -0.204 4.146 4.350 -0.000 0.000 0.150 156 E C 0.812 177.409 176.600 -0.004 0.000 1.853 156 E CA 0.543 56.939 56.400 -0.006 0.000 0.643 156 E CB -1.281 28.414 29.700 -0.008 0.000 1.078 156 E HN 0.697 nan 8.360 nan 0.000 0.345 157 G N 1.391 110.190 108.800 -0.002 0.000 2.882 157 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.198 157 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.198 157 G C 0.361 175.263 174.900 0.002 0.000 1.977 157 G CA -0.320 44.780 45.100 -0.000 0.000 1.541 157 G HN 0.940 nan 8.290 nan 0.000 0.567 158 C N 3.221 122.523 119.300 0.003 0.000 1.703 158 C HA 0.417 4.877 4.460 -0.000 0.000 0.427 158 C C 1.416 176.410 174.990 0.007 0.000 1.521 158 C CA 1.076 60.097 59.018 0.006 0.000 1.551 158 C CB -1.535 26.208 27.740 0.004 0.000 2.825 158 C HN 1.204 nan 8.230 nan 0.000 0.568 159 T N 2.402 116.962 114.554 0.009 0.000 2.888 159 T HA 0.641 4.991 4.350 -0.000 0.000 0.284 159 T C -0.533 174.174 174.700 0.011 0.000 1.017 159 T CA -0.963 61.143 62.100 0.010 0.000 1.022 159 T CB 0.851 69.725 68.868 0.010 0.000 1.013 159 T HN 0.487 nan 8.240 nan 0.000 0.465 160 L N 2.683 123.912 121.223 0.011 0.000 2.360 160 L HA 0.460 4.800 4.340 -0.000 0.000 0.276 160 L C 1.554 178.431 176.870 0.012 0.000 1.121 160 L CA -0.611 54.236 54.840 0.012 0.000 0.845 160 L CB 0.703 42.769 42.059 0.011 0.000 1.143 160 L HN 1.031 nan 8.230 nan 0.000 0.452 161 A N 3.466 126.294 122.820 0.013 0.000 1.878 161 A HA 0.287 4.607 4.320 -0.000 0.000 0.213 161 A C 1.241 178.832 177.584 0.012 0.000 1.192 161 A CA 0.784 52.828 52.037 0.013 0.000 0.619 161 A CB -0.138 18.869 19.000 0.013 0.000 0.837 161 A HN 0.718 nan 8.150 nan 0.000 0.446 162 A N 0.460 123.288 122.820 0.013 0.000 2.386 162 A HA 0.382 4.702 4.320 -0.000 0.000 0.248 162 A C 0.036 177.627 177.584 0.012 0.000 1.082 162 A CA -0.310 51.734 52.037 0.013 0.000 0.789 162 A CB -0.044 18.964 19.000 0.014 0.000 1.025 162 A HN 0.431 nan 8.150 nan 0.000 0.490 163 D N 1.213 121.620 120.400 0.011 0.000 2.548 163 D HA 0.015 4.655 4.640 -0.000 0.000 0.231 163 D C -1.335 174.973 176.300 0.013 0.000 1.142 163 D CA -0.786 53.221 54.000 0.011 0.000 0.866 163 D CB 0.848 41.654 40.800 0.011 0.000 1.190 163 D HN 0.169 nan 8.370 nan 0.000 0.469 164 P HA -0.107 nan 4.420 nan 0.000 0.215 164 P C 0.406 177.716 177.300 0.017 0.000 1.157 164 P CA 1.261 64.369 63.100 0.014 0.000 0.868 164 P CB 0.202 31.910 31.700 0.013 0.000 0.788 165 E N -1.093 119.118 120.200 0.019 0.000 2.465 165 E HA 0.060 4.410 4.350 -0.000 0.000 0.191 165 E C 0.173 176.789 176.600 0.027 0.000 1.053 165 E CA -0.429 55.986 56.400 0.025 0.000 0.869 165 E CB -0.268 29.448 29.700 0.026 0.000 0.977 165 E HN 0.120 nan 8.360 nan 0.000 0.483 166 L N 2.078 123.312 121.223 0.019 0.000 2.462 166 L HA 0.031 4.371 4.340 -0.000 0.000 0.272 166 L C -0.072 176.803 176.870 0.010 0.000 1.166 166 L CA 0.502 55.350 54.840 0.013 0.000 0.880 166 L CB 0.730 42.795 42.059 0.010 0.000 1.142 166 L HN -0.168 nan 8.230 nan 0.000 0.473 167 T N 5.070 119.621 114.554 -0.005 0.000 2.853 167 T HA 0.132 4.482 4.350 -0.000 0.000 0.298 167 T C 1.296 175.981 174.700 -0.025 0.000 0.978 167 T CA -0.388 61.698 62.100 -0.024 0.000 1.152 167 T CB 1.006 69.809 68.868 -0.107 0.000 0.914 167 T HN 0.510 nan 8.240 nan 0.000 0.539 168 V N 3.469 123.375 119.914 -0.013 0.000 2.949 168 V HA 0.133 4.253 4.120 -0.000 0.000 0.245 168 V C 0.684 176.760 176.094 -0.029 0.000 1.086 168 V CA 0.558 62.851 62.300 -0.011 0.000 1.097 168 V CB 0.328 32.151 31.823 -0.000 0.000 0.762 168 V HN 0.827 nan 8.190 nan 0.000 0.470 169 V N -3.140 116.755 119.914 -0.032 0.000 3.178 169 V HA 0.889 5.009 4.120 -0.000 0.000 0.302 169 V C -1.024 175.047 176.094 -0.038 0.000 1.262 169 V CA -0.430 61.845 62.300 -0.041 0.000 1.030 169 V CB 2.009 33.814 31.823 -0.030 0.000 1.074 169 V HN -0.009 nan 8.190 nan 0.000 0.438 170 S N 1.288 116.965 115.700 -0.039 0.000 2.605 170 S HA 0.517 4.987 4.470 -0.000 0.000 0.279 170 S C -0.972 173.640 174.600 0.021 0.000 1.166 170 S CA -0.352 57.848 58.200 0.000 0.000 0.975 170 S CB 1.512 64.605 63.200 -0.178 0.000 1.111 170 S HN 1.535 nan 8.310 nan 0.000 0.465 171 V N 6.375 126.323 119.914 0.056 0.000 2.400 171 V HA 0.155 4.275 4.120 -0.000 0.000 0.263 171 V C 0.547 176.666 176.094 0.041 0.000 1.026 171 V CA 0.134 62.455 62.300 0.035 0.000 1.077 171 V CB -0.520 31.323 31.823 0.033 0.000 1.054 171 V HN 0.728 nan 8.190 nan 0.000 0.477 172 L N 8.934 130.170 121.223 0.022 0.000 2.410 172 L HA 0.272 4.611 4.340 -0.000 0.000 0.273 172 L C -1.353 175.530 176.870 0.021 0.000 1.152 172 L CA -1.409 53.444 54.840 0.022 0.000 0.855 172 L CB 1.008 43.072 42.059 0.008 0.000 1.129 172 L HN 0.423 nan 8.230 nan 0.000 0.463 173 P HA 0.113 nan 4.420 nan 0.000 0.272 173 P C -2.526 174.782 177.300 0.012 0.000 1.248 173 P CA -0.907 62.204 63.100 0.018 0.000 0.799 173 P CB -0.498 31.214 31.700 0.021 0.000 0.997 174 P HA 0.109 nan 4.420 nan 0.000 0.293 174 P C -0.729 176.575 177.300 0.006 0.000 1.298 174 P CA -0.241 62.862 63.100 0.006 0.000 0.757 174 P CB 0.473 32.176 31.700 0.005 0.000 1.262 175 R N 0.000 120.503 120.500 0.004 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 0.004 0.000 0.921 175 R CB 0.000 30.303 30.300 0.004 0.000 0.687 175 R HN 0.000 nan 8.270 nan 0.000 0.535