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 3fsx_1_E DATA FIRST_RESID 5 DATA SEQUENCE TGAAGIGLAT LAADGSVLDT WFPAPELTES GTSATSRLAV SDVPVELAAL DATA SEQUENCE IGRDDDRRTE TIAVRTVIGS LDDVAADPYD AYLRLHLLSH RLVAPHGLNA DATA SEQUENCE GGLFGVLTNV VWTNHGPCAI DGFEAVRARL RRRGPVTVYG VDKFPRMVDY DATA SEQUENCE VVPTGVRIAD ADRVRLGAHL APGTTVMHEG FVNYNAGTLG ASMVEGRISA DATA SEQUENCE GVVVGDGSDV GGGASIMXXX XXXXXXVISI GKRCLLGANS GLGISLGDDC DATA SEQUENCE VVEAGLYVTA GTRVTMPDSN SVKARELSGS SNLLFRRNSV SGAVEVLAR 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.696 174.700 -0.007 0.000 1.109 5 T CA 0.000 62.098 62.100 -0.003 0.000 1.349 5 T CB 0.000 68.869 68.868 0.001 0.000 0.612 6 G N 0.995 109.786 108.800 -0.014 0.000 3.016 6 G HA2 0.982 4.942 3.960 -0.000 0.000 0.270 6 G HA3 0.982 4.942 3.960 -0.000 0.000 0.270 6 G C -1.169 173.710 174.900 -0.036 0.000 1.352 6 G CA -0.532 44.555 45.100 -0.022 0.000 1.060 6 G HN 1.126 nan 8.290 nan 0.000 0.538 7 A N -1.831 120.956 122.820 -0.054 0.000 2.594 7 A HA 0.940 5.260 4.320 -0.000 0.000 0.295 7 A C -0.608 176.911 177.584 -0.109 0.000 1.071 7 A CA 0.063 52.050 52.037 -0.084 0.000 0.685 7 A CB 1.480 20.419 19.000 -0.101 0.000 1.285 7 A HN 2.190 nan 8.150 nan 0.000 0.405 8 A N -0.116 122.624 122.820 -0.133 0.000 2.515 8 A HA 0.996 5.316 4.320 -0.000 0.000 0.296 8 A C -0.169 177.292 177.584 -0.206 0.000 1.094 8 A CA -0.192 51.760 52.037 -0.143 0.000 0.718 8 A CB 1.827 20.775 19.000 -0.087 0.000 1.307 8 A HN 2.457 nan 8.150 nan 0.000 0.408 9 G N 0.051 108.725 108.800 -0.210 0.000 2.742 9 G HA2 0.545 4.505 3.960 -0.000 0.000 0.296 9 G HA3 0.545 4.505 3.960 -0.000 0.000 0.296 9 G C -1.218 173.742 174.900 0.099 0.000 1.436 9 G CA -0.552 44.460 45.100 -0.146 0.000 0.928 9 G HN 0.682 nan 8.290 nan 0.000 0.520 10 I N 1.266 121.887 120.570 0.085 0.000 2.395 10 I HA 0.558 4.728 4.170 -0.000 0.000 0.289 10 I C 0.858 177.003 176.117 0.047 0.000 1.023 10 I CA -0.128 61.210 61.300 0.064 0.000 1.350 10 I CB 1.596 39.578 38.000 -0.030 0.000 1.409 10 I HN 0.573 nan 8.210 nan 0.000 0.507 11 G N 6.034 114.775 108.800 -0.098 0.000 2.667 11 G HA2 0.593 4.553 3.960 -0.000 0.000 0.298 11 G HA3 0.593 4.553 3.960 -0.000 0.000 0.298 11 G C -1.854 172.829 174.900 -0.362 0.000 1.377 11 G CA -0.531 44.253 45.100 -0.526 0.000 0.964 11 G HN 0.352 nan 8.290 nan 0.000 0.493 12 L N 2.057 123.085 121.223 -0.326 0.000 2.262 12 L HA 0.780 5.120 4.340 -0.000 0.000 0.288 12 L C 0.453 177.275 176.870 -0.081 0.000 1.035 12 L CA -0.582 54.192 54.840 -0.110 0.000 0.820 12 L CB 0.657 42.744 42.059 0.047 0.000 1.204 12 L HN 0.733 nan 8.230 nan 0.000 0.424 13 A N 2.996 125.786 122.820 -0.049 0.000 2.325 13 A HA 0.828 5.148 4.320 -0.000 0.000 0.333 13 A C -0.348 177.248 177.584 0.019 0.000 1.155 13 A CA -0.474 51.560 52.037 -0.005 0.000 0.814 13 A CB 0.856 19.951 19.000 0.158 0.000 1.206 13 A HN 0.623 nan 8.150 nan 0.000 0.482 14 T N 2.936 117.485 114.554 -0.009 0.000 2.772 14 T HA 0.520 4.870 4.350 -0.000 0.000 0.288 14 T C -0.269 174.411 174.700 -0.033 0.000 0.994 14 T CA -0.109 61.987 62.100 -0.007 0.000 0.951 14 T CB 0.160 69.026 68.868 -0.002 0.000 0.933 14 T HN 0.446 nan 8.240 nan 0.000 0.447 15 L N 2.303 123.519 121.223 -0.012 0.000 2.343 15 L HA 0.774 5.114 4.340 -0.000 0.000 0.275 15 L C 0.884 177.736 176.870 -0.031 0.000 1.056 15 L CA -1.205 53.621 54.840 -0.023 0.000 0.804 15 L CB 0.924 42.989 42.059 0.010 0.000 1.203 15 L HN 0.633 nan 8.230 nan 0.000 0.440 16 A N 1.675 124.468 122.820 -0.045 0.000 2.267 16 A HA 0.577 4.897 4.320 -0.000 0.000 0.271 16 A C 1.220 178.788 177.584 -0.026 0.000 1.131 16 A CA 0.389 52.401 52.037 -0.041 0.000 0.818 16 A CB 0.354 19.321 19.000 -0.055 0.000 1.118 16 A HN 0.920 nan 8.150 nan 0.000 0.501 17 A N -0.343 122.463 122.820 -0.024 0.000 2.019 17 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 17 A C 1.266 178.841 177.584 -0.016 0.000 1.164 17 A CA 2.031 54.057 52.037 -0.018 0.000 0.644 17 A CB -0.577 18.413 19.000 -0.018 0.000 0.805 17 A HN 0.842 nan 8.150 nan 0.000 0.449 18 D N -3.066 117.322 120.400 -0.021 0.000 2.349 18 D HA 0.325 4.965 4.640 -0.000 0.000 0.214 18 D C 1.137 177.428 176.300 -0.015 0.000 1.063 18 D CA 0.981 54.971 54.000 -0.018 0.000 0.847 18 D CB -0.166 40.621 40.800 -0.021 0.000 0.933 18 D HN 0.657 nan 8.370 nan 0.000 0.513 19 G N 0.541 109.332 108.800 -0.015 0.000 2.313 19 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.215 19 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.215 19 G C 0.464 175.351 174.900 -0.022 0.000 1.023 19 G CA 0.127 45.222 45.100 -0.007 0.000 0.626 19 G HN 0.779 nan 8.290 nan 0.000 0.503 20 S N 0.213 115.887 115.700 -0.043 0.000 2.558 20 S HA 0.402 4.872 4.470 -0.000 0.000 0.287 20 S C 0.372 174.912 174.600 -0.100 0.000 1.321 20 S CA 0.193 58.349 58.200 -0.072 0.000 1.048 20 S CB 1.908 65.062 63.200 -0.077 0.000 0.844 20 S HN 1.186 nan 8.310 nan 0.000 0.512 21 V N 4.595 124.413 119.914 -0.160 0.000 2.385 21 V HA 0.156 4.276 4.120 -0.000 0.000 0.269 21 V C 1.140 177.134 176.094 -0.166 0.000 1.043 21 V CA -0.385 61.782 62.300 -0.221 0.000 0.906 21 V CB 0.328 31.850 31.823 -0.501 0.000 0.995 21 V HN 0.916 nan 8.190 nan 0.000 0.467 22 L N 3.045 124.181 121.223 -0.144 0.000 2.049 22 L HA 0.164 4.504 4.340 -0.000 0.000 0.203 22 L C 0.835 177.652 176.870 -0.089 0.000 1.074 22 L CA 1.002 55.756 54.840 -0.143 0.000 0.749 22 L CB -0.042 41.897 42.059 -0.200 0.000 0.907 22 L HN 0.825 nan 8.230 nan 0.000 0.439 23 D N -2.041 118.246 120.400 -0.188 0.000 2.626 23 D HA 0.318 4.957 4.640 -0.000 0.000 0.278 23 D C -0.979 174.981 176.300 -0.566 0.000 1.211 23 D CA -0.393 53.282 54.000 -0.542 0.000 0.903 23 D CB 2.115 42.919 40.800 0.007 0.000 1.408 23 D HN -0.229 nan 8.370 nan 0.000 0.454 24 T N 0.277 114.304 114.554 -0.879 0.000 2.971 24 T HA 0.398 4.748 4.350 -0.000 0.000 0.304 24 T C -1.669 172.970 174.700 -0.102 0.000 1.038 24 T CA -0.558 61.303 62.100 -0.399 0.000 1.007 24 T CB 1.121 69.745 68.868 -0.406 0.000 1.055 24 T HN 0.480 nan 8.240 nan 0.000 0.451 25 W N 4.981 126.166 121.300 -0.192 0.000 2.376 25 W HA 0.720 5.380 4.660 -0.000 0.000 0.312 25 W C -2.165 174.176 176.519 -0.297 0.000 1.060 25 W CA -2.100 55.304 57.345 0.098 0.000 1.221 25 W CB 0.440 30.039 29.460 0.233 0.000 1.281 25 W HN 0.551 nan 8.180 nan 0.000 0.456 26 F N 9.015 128.659 119.950 -0.509 0.000 2.382 26 F HA 0.307 4.834 4.527 -0.000 0.000 0.361 26 F C -1.406 174.042 175.800 -0.586 0.000 1.109 26 F CA -2.126 55.503 58.000 -0.619 0.000 1.031 26 F CB 1.524 40.163 39.000 -0.601 0.000 1.234 26 F HN 0.221 nan 8.300 nan 0.000 0.445 27 P HA -0.070 nan 4.420 nan 0.000 0.217 27 P C 0.482 177.730 177.300 -0.086 0.000 1.151 27 P CA 0.863 63.738 63.100 -0.375 0.000 0.828 27 P CB 0.426 31.804 31.700 -0.537 0.000 0.788 28 A N -0.651 122.087 122.820 -0.136 0.000 3.113 28 A HA 0.377 4.697 4.320 -0.000 0.000 0.307 28 A C -2.219 175.268 177.584 -0.161 0.000 1.025 28 A CA -1.243 50.730 52.037 -0.107 0.000 1.012 28 A CB -0.612 18.344 19.000 -0.073 0.000 1.085 28 A HN 0.087 nan 8.150 nan 0.000 0.519 29 P HA 0.226 nan 4.420 nan 0.000 0.269 29 P C -0.499 176.678 177.300 -0.206 0.000 1.215 29 P CA 0.425 63.347 63.100 -0.297 0.000 0.780 29 P CB 0.802 32.270 31.700 -0.387 0.000 0.898 30 E N 1.653 121.753 120.200 -0.166 0.000 2.383 30 E HA 0.468 4.818 4.350 -0.000 0.000 0.275 30 E C -1.125 175.424 176.600 -0.086 0.000 0.918 30 E CA -1.050 55.289 56.400 -0.102 0.000 0.764 30 E CB 1.134 30.788 29.700 -0.076 0.000 1.252 30 E HN 0.238 nan 8.360 nan 0.000 0.449 31 L N 1.787 122.978 121.223 -0.052 0.000 2.395 31 L HA 0.509 4.849 4.340 -0.000 0.000 0.269 31 L C 0.332 177.180 176.870 -0.036 0.000 1.133 31 L CA -0.207 54.609 54.840 -0.040 0.000 0.812 31 L CB 1.280 43.328 42.059 -0.019 0.000 1.125 31 L HN 0.872 nan 8.230 nan 0.000 0.452 32 T N -1.916 112.618 114.554 -0.034 0.000 2.843 32 T HA 0.352 4.702 4.350 -0.000 0.000 0.302 32 T C -0.694 173.993 174.700 -0.021 0.000 1.232 32 T CA -1.135 60.948 62.100 -0.028 0.000 1.009 32 T CB 1.535 70.382 68.868 -0.036 0.000 1.254 32 T HN 0.657 nan 8.240 nan 0.000 0.504 33 E N 1.392 121.582 120.200 -0.017 0.000 2.438 33 E HA 0.382 4.732 4.350 -0.000 0.000 0.261 33 E C 0.551 177.144 176.600 -0.013 0.000 1.103 33 E CA -0.662 55.731 56.400 -0.012 0.000 0.959 33 E CB 0.181 29.875 29.700 -0.010 0.000 0.958 33 E HN 0.821 nan 8.360 nan 0.000 0.447 34 S N 0.805 116.500 115.700 -0.009 0.000 2.580 34 S HA 0.466 4.936 4.470 -0.000 0.000 0.261 34 S C 0.698 175.293 174.600 -0.008 0.000 1.366 34 S CA -0.107 58.088 58.200 -0.007 0.000 0.996 34 S CB 0.779 63.977 63.200 -0.003 0.000 0.902 34 S HN 1.025 nan 8.310 nan 0.000 0.566 35 G N -0.396 108.400 108.800 -0.007 0.000 2.513 35 G HA2 0.393 4.353 3.960 -0.000 0.000 0.182 35 G HA3 0.393 4.353 3.960 -0.000 0.000 0.182 35 G C -1.081 173.816 174.900 -0.005 0.000 1.190 35 G CA -0.237 44.859 45.100 -0.007 0.000 0.987 35 G HN 0.902 nan 8.290 nan 0.000 0.479 36 T N 1.021 115.572 114.554 -0.006 0.000 2.829 36 T HA 0.644 4.994 4.350 -0.000 0.000 0.280 36 T C -0.068 174.630 174.700 -0.003 0.000 0.999 36 T CA -0.062 62.037 62.100 -0.003 0.000 0.983 36 T CB 1.336 70.203 68.868 -0.002 0.000 0.968 36 T HN 0.542 nan 8.240 nan 0.000 0.446 37 S N 2.460 118.163 115.700 0.004 0.000 2.499 37 S HA 0.717 5.187 4.470 -0.000 0.000 0.275 37 S C -0.143 174.464 174.600 0.012 0.000 1.257 37 S CA -0.574 57.632 58.200 0.009 0.000 1.050 37 S CB 0.587 63.798 63.200 0.019 0.000 0.937 37 S HN 0.954 nan 8.310 nan 0.000 0.490 38 A N 2.936 125.760 122.820 0.008 0.000 2.590 38 A HA 0.631 4.951 4.320 -0.000 0.000 0.294 38 A C -0.798 176.775 177.584 -0.019 0.000 1.046 38 A CA -0.850 51.188 52.037 0.001 0.000 0.684 38 A CB 1.078 20.072 19.000 -0.009 0.000 1.279 38 A HN 0.514 nan 8.150 nan 0.000 0.415 39 T N 2.518 117.043 114.554 -0.049 0.000 2.809 39 T HA 0.563 4.913 4.350 -0.000 0.000 0.296 39 T C 0.204 174.810 174.700 -0.157 0.000 1.015 39 T CA 0.142 62.152 62.100 -0.150 0.000 0.954 39 T CB 0.740 69.381 68.868 -0.378 0.000 0.950 39 T HN 1.195 nan 8.240 nan 0.000 0.450 40 S N 3.368 118.996 115.700 -0.120 0.000 2.537 40 S HA 0.481 4.951 4.470 -0.000 0.000 0.275 40 S C 0.114 174.638 174.600 -0.127 0.000 1.272 40 S CA -1.082 57.059 58.200 -0.099 0.000 1.050 40 S CB 0.953 64.115 63.200 -0.063 0.000 0.961 40 S HN 0.748 nan 8.310 nan 0.000 0.496 41 R N 2.524 122.960 120.500 -0.106 0.000 2.438 41 R HA 0.475 4.815 4.340 -0.000 0.000 0.287 41 R C -1.079 175.182 176.300 -0.064 0.000 1.077 41 R CA -0.402 55.642 56.100 -0.094 0.000 1.034 41 R CB 0.161 30.422 30.300 -0.066 0.000 0.993 41 R HN 0.761 nan 8.270 nan 0.000 0.459 42 L N 4.082 125.270 121.223 -0.059 0.000 2.309 42 L HA 0.550 4.890 4.340 -0.000 0.000 0.282 42 L C 0.440 177.290 176.870 -0.033 0.000 1.036 42 L CA -0.812 54.002 54.840 -0.044 0.000 0.806 42 L CB 1.761 43.792 42.059 -0.045 0.000 1.220 42 L HN 0.862 nan 8.230 nan 0.000 0.429 43 A N 2.111 124.915 122.820 -0.026 0.000 2.280 43 A HA 0.355 4.675 4.320 -0.000 0.000 0.268 43 A C 1.183 178.756 177.584 -0.019 0.000 1.111 43 A CA -0.004 52.022 52.037 -0.020 0.000 0.814 43 A CB 0.577 19.567 19.000 -0.016 0.000 1.093 43 A HN 0.747 nan 8.150 nan 0.000 0.498 44 V N -1.148 118.757 119.914 -0.014 0.000 2.970 44 V HA -0.088 4.032 4.120 -0.000 0.000 0.260 44 V C 1.922 178.008 176.094 -0.013 0.000 1.100 44 V CA 1.992 64.284 62.300 -0.013 0.000 1.122 44 V CB -1.330 30.487 31.823 -0.009 0.000 0.721 44 V HN 1.097 nan 8.190 nan 0.000 0.483 45 S N 0.035 115.727 115.700 -0.013 0.000 2.507 45 S HA -0.143 4.327 4.470 -0.000 0.000 0.235 45 S C 1.116 175.707 174.600 -0.015 0.000 0.988 45 S CA 1.449 59.641 58.200 -0.012 0.000 0.944 45 S CB -0.499 62.695 63.200 -0.011 0.000 0.762 45 S HN 0.642 nan 8.310 nan 0.000 0.526 46 D N 0.295 120.683 120.400 -0.019 0.000 2.398 46 D HA 0.262 4.902 4.640 -0.000 0.000 0.210 46 D C -0.495 175.788 176.300 -0.027 0.000 1.094 46 D CA 0.048 54.034 54.000 -0.023 0.000 0.839 46 D CB 0.981 41.766 40.800 -0.026 0.000 0.963 46 D HN 0.277 nan 8.370 nan 0.000 0.506 47 V N 2.126 122.025 119.914 -0.026 0.000 2.427 47 V HA 0.367 4.487 4.120 -0.000 0.000 0.286 47 V C -2.019 174.060 176.094 -0.026 0.000 1.034 47 V CA -1.893 60.389 62.300 -0.030 0.000 0.893 47 V CB 1.252 33.058 31.823 -0.027 0.000 0.982 47 V HN -0.065 nan 8.190 nan 0.000 0.452 48 P HA 0.015 nan 4.420 nan 0.000 0.266 48 P C 1.135 178.427 177.300 -0.014 0.000 1.193 48 P CA -0.036 63.048 63.100 -0.026 0.000 0.770 48 P CB 0.522 32.198 31.700 -0.040 0.000 0.836 49 V N 0.736 120.647 119.914 -0.005 0.000 2.380 49 V HA -0.295 3.825 4.120 -0.000 0.000 0.251 49 V C 1.649 177.751 176.094 0.013 0.000 1.063 49 V CA 1.928 64.231 62.300 0.004 0.000 1.055 49 V CB -1.409 30.418 31.823 0.007 0.000 0.657 49 V HN 0.362 nan 8.190 nan 0.000 0.455 50 E N 1.009 121.219 120.200 0.016 0.000 2.072 50 E HA -0.029 4.321 4.350 -0.000 0.000 0.191 50 E C 2.136 178.765 176.600 0.049 0.000 0.985 50 E CA 1.722 58.146 56.400 0.039 0.000 0.801 50 E CB -0.438 29.293 29.700 0.050 0.000 0.750 50 E HN 0.649 nan 8.360 nan 0.000 0.452 51 L N -0.061 121.170 121.223 0.013 0.000 2.131 51 L HA 0.028 4.368 4.340 -0.000 0.000 0.206 51 L C 2.452 179.334 176.870 0.020 0.000 1.087 51 L CA 0.696 55.544 54.840 0.013 0.000 0.767 51 L CB -0.705 41.321 42.059 -0.054 0.000 0.917 51 L HN 0.130 nan 8.230 nan 0.000 0.441 52 A N 1.029 123.853 122.820 0.007 0.000 1.929 52 A HA -0.315 4.005 4.320 -0.000 0.000 0.221 52 A C 2.316 179.911 177.584 0.019 0.000 1.211 52 A CA 2.414 54.456 52.037 0.008 0.000 0.657 52 A CB -0.758 18.244 19.000 0.004 0.000 0.827 52 A HN 0.440 nan 8.150 nan 0.000 0.462 53 A N -1.438 121.399 122.820 0.028 0.000 2.238 53 A HA 0.449 4.768 4.320 -0.000 0.000 0.208 53 A C 1.526 179.134 177.584 0.040 0.000 1.177 53 A CA 0.657 52.712 52.037 0.030 0.000 0.804 53 A CB -0.375 18.643 19.000 0.030 0.000 0.823 53 A HN 0.483 nan 8.150 nan 0.000 0.482 54 L N -0.923 120.331 121.223 0.052 0.000 2.693 54 L HA 0.365 4.705 4.340 -0.000 0.000 0.235 54 L C -0.022 176.878 176.870 0.050 0.000 1.127 54 L CA -0.139 54.739 54.840 0.062 0.000 0.914 54 L CB 0.018 42.141 42.059 0.105 0.000 1.193 54 L HN 0.176 nan 8.230 nan 0.000 0.502 55 I N 0.867 121.459 120.570 0.036 0.000 2.441 55 I HA 0.505 4.675 4.170 -0.000 0.000 0.287 55 I C 0.710 176.839 176.117 0.020 0.000 1.049 55 I CA 0.158 61.473 61.300 0.025 0.000 1.381 55 I CB 1.043 39.051 38.000 0.014 0.000 1.409 55 I HN 0.095 nan 8.210 nan 0.000 0.523 56 G N 5.168 113.979 108.800 0.019 0.000 2.338 56 G HA2 0.304 4.264 3.960 -0.000 0.000 0.295 56 G HA3 0.304 4.264 3.960 -0.000 0.000 0.295 56 G C -1.437 173.471 174.900 0.013 0.000 1.461 56 G CA -1.033 44.075 45.100 0.015 0.000 0.817 56 G HN 0.436 nan 8.290 nan 0.000 0.556 57 R N -0.053 120.453 120.500 0.009 0.000 2.500 57 R HA 0.477 4.817 4.340 -0.000 0.000 0.275 57 R C -1.054 175.250 176.300 0.006 0.000 1.051 57 R CA -0.612 55.492 56.100 0.006 0.000 1.088 57 R CB 1.288 31.589 30.300 0.001 0.000 1.063 57 R HN 0.471 nan 8.270 nan 0.000 0.511 58 D N 1.169 121.572 120.400 0.004 0.000 2.440 58 D HA 0.084 4.724 4.640 -0.000 0.000 0.239 58 D C -0.424 175.870 176.300 -0.010 0.000 1.084 58 D CA -0.393 53.609 54.000 0.002 0.000 0.843 58 D CB 1.280 42.087 40.800 0.012 0.000 1.097 58 D HN 0.378 nan 8.370 nan 0.000 0.531 59 D N 2.409 122.800 120.400 -0.015 0.000 2.347 59 D HA -0.057 4.583 4.640 -0.000 0.000 0.213 59 D C 0.788 177.065 176.300 -0.038 0.000 0.985 59 D CA 0.408 54.394 54.000 -0.023 0.000 0.879 59 D CB 0.620 41.407 40.800 -0.020 0.000 0.919 59 D HN 0.497 nan 8.370 nan 0.000 0.526 60 D N 0.537 120.909 120.400 -0.047 0.000 2.144 60 D HA 0.004 4.644 4.640 -0.000 0.000 0.207 60 D C 1.885 178.136 176.300 -0.082 0.000 0.970 60 D CA 0.520 54.473 54.000 -0.078 0.000 0.853 60 D CB 0.026 40.763 40.800 -0.104 0.000 1.007 60 D HN 0.124 nan 8.370 nan 0.000 0.469 61 R N 0.318 120.785 120.500 -0.056 0.000 2.276 61 R HA 0.146 4.486 4.340 -0.000 0.000 0.203 61 R C 0.271 176.555 176.300 -0.027 0.000 1.017 61 R CA -0.000 56.078 56.100 -0.036 0.000 1.010 61 R CB 0.204 30.502 30.300 -0.005 0.000 0.900 61 R HN -0.006 nan 8.270 nan 0.000 0.469 62 R N 0.795 121.278 120.500 -0.029 0.000 3.516 62 R HA -0.136 4.204 4.340 -0.000 0.000 0.271 62 R C -0.440 175.850 176.300 -0.017 0.000 1.098 62 R CA 1.447 57.533 56.100 -0.023 0.000 0.732 62 R CB -2.730 27.554 30.300 -0.027 0.000 1.152 62 R HN 0.434 nan 8.270 nan 0.000 0.455 63 T N -2.764 111.783 114.554 -0.012 0.000 2.945 63 T HA 0.615 4.965 4.350 -0.000 0.000 0.286 63 T C -0.111 174.588 174.700 -0.002 0.000 1.025 63 T CA -0.944 61.151 62.100 -0.009 0.000 1.039 63 T CB 3.041 71.904 68.868 -0.007 0.000 1.068 63 T HN 0.253 nan 8.240 nan 0.000 0.497 64 E N 0.319 120.520 120.200 0.001 0.000 2.246 64 E HA 0.449 4.799 4.350 -0.000 0.000 0.266 64 E C -1.281 175.328 176.600 0.014 0.000 0.880 64 E CA -0.675 55.730 56.400 0.008 0.000 0.762 64 E CB 1.618 31.323 29.700 0.008 0.000 1.180 64 E HN 0.662 nan 8.360 nan 0.000 0.416 65 T N 5.876 120.441 114.554 0.019 0.000 2.738 65 T HA 0.421 4.771 4.350 -0.000 0.000 0.298 65 T C 0.078 174.790 174.700 0.020 0.000 0.962 65 T CA -0.469 61.647 62.100 0.025 0.000 0.972 65 T CB -0.251 68.639 68.868 0.036 0.000 0.928 65 T HN 0.459 nan 8.240 nan 0.000 0.474 66 I N 0.045 120.625 120.570 0.018 0.000 2.797 66 I HA 0.923 5.093 4.170 -0.000 0.000 0.307 66 I C -0.056 176.050 176.117 -0.017 0.000 1.033 66 I CA -1.718 59.584 61.300 0.003 0.000 1.071 66 I CB 1.667 39.670 38.000 0.006 0.000 1.255 66 I HN 0.500 nan 8.210 nan 0.000 0.445 67 A N 4.283 127.083 122.820 -0.033 0.000 2.328 67 A HA 0.663 4.983 4.320 -0.000 0.000 0.284 67 A C -0.102 177.434 177.584 -0.081 0.000 1.160 67 A CA -0.371 51.630 52.037 -0.060 0.000 0.818 67 A CB 0.552 19.521 19.000 -0.052 0.000 1.087 67 A HN 1.010 nan 8.150 nan 0.000 0.504 68 V N 0.667 120.512 119.914 -0.114 0.000 3.001 68 V HA 0.855 4.975 4.120 -0.000 0.000 0.314 68 V C -0.343 175.703 176.094 -0.080 0.000 1.099 68 V CA -1.169 61.047 62.300 -0.140 0.000 0.989 68 V CB 1.771 33.429 31.823 -0.275 0.000 1.040 68 V HN 1.027 nan 8.190 nan 0.000 0.434 69 R N 1.268 121.726 120.500 -0.070 0.000 2.393 69 R HA 0.695 5.034 4.340 -0.000 0.000 0.315 69 R C -0.955 175.338 176.300 -0.012 0.000 0.952 69 R CA -0.128 55.965 56.100 -0.011 0.000 0.842 69 R CB 1.779 32.063 30.300 -0.027 0.000 1.163 69 R HN 0.949 nan 8.270 nan 0.000 0.450 70 T N 3.878 118.470 114.554 0.063 0.000 2.779 70 T HA 0.354 4.704 4.350 -0.000 0.000 0.280 70 T C -0.885 173.794 174.700 -0.035 0.000 0.987 70 T CA -0.466 61.654 62.100 0.034 0.000 0.966 70 T CB 1.547 70.519 68.868 0.172 0.000 0.933 70 T HN 0.290 nan 8.240 nan 0.000 0.442 71 V N 5.143 125.039 119.914 -0.029 0.000 2.417 71 V HA 0.499 4.619 4.120 -0.000 0.000 0.291 71 V C -0.178 175.899 176.094 -0.028 0.000 1.024 71 V CA -0.822 61.453 62.300 -0.040 0.000 0.861 71 V CB 1.523 33.328 31.823 -0.030 0.000 0.985 71 V HN 0.788 nan 8.190 nan 0.000 0.436 72 I N 3.724 124.268 120.570 -0.043 0.000 2.339 72 I HA 0.355 4.525 4.170 -0.000 0.000 0.290 72 I C 1.517 177.622 176.117 -0.020 0.000 0.994 72 I CA -0.160 61.125 61.300 -0.024 0.000 1.191 72 I CB 1.699 39.680 38.000 -0.032 0.000 1.343 72 I HN 0.738 nan 8.210 nan 0.000 0.458 73 G N 3.658 112.453 108.800 -0.008 0.000 2.421 73 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.217 73 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.217 73 G C 0.593 175.491 174.900 -0.004 0.000 1.143 73 G CA 0.454 45.551 45.100 -0.006 0.000 0.784 73 G HN 0.504 nan 8.290 nan 0.000 0.541 74 S N -1.342 114.358 115.700 -0.000 0.000 2.626 74 S HA 0.349 4.819 4.470 -0.000 0.000 0.275 74 S C 0.743 175.347 174.600 0.006 0.000 1.175 74 S CA -0.713 57.489 58.200 0.003 0.000 0.982 74 S CB 1.032 64.236 63.200 0.007 0.000 1.093 74 S HN 0.090 nan 8.310 nan 0.000 0.472 75 L N 2.368 123.594 121.223 0.005 0.000 2.265 75 L HA -0.072 4.268 4.340 -0.000 0.000 0.215 75 L C 1.429 178.311 176.870 0.020 0.000 1.117 75 L CA 0.972 55.818 54.840 0.010 0.000 0.782 75 L CB -0.202 41.863 42.059 0.010 0.000 0.914 75 L HN 0.635 nan 8.230 nan 0.000 0.441 76 D N -0.320 120.092 120.400 0.020 0.000 2.312 76 D HA -0.051 4.589 4.640 -0.000 0.000 0.211 76 D C 0.478 176.795 176.300 0.028 0.000 0.964 76 D CA 0.673 54.688 54.000 0.025 0.000 0.877 76 D CB -0.077 40.736 40.800 0.022 0.000 0.924 76 D HN 0.354 nan 8.370 nan 0.000 0.515 77 D N 0.114 120.529 120.400 0.024 0.000 2.377 77 D HA 0.109 4.749 4.640 -0.000 0.000 0.245 77 D C 0.054 176.373 176.300 0.033 0.000 1.196 77 D CA -0.450 53.566 54.000 0.027 0.000 0.962 77 D CB 1.562 42.376 40.800 0.023 0.000 1.127 77 D HN -0.233 nan 8.370 nan 0.000 0.471 78 V N 0.318 120.253 119.914 0.035 0.000 2.539 78 V HA 0.516 4.636 4.120 -0.000 0.000 0.292 78 V C -0.221 175.897 176.094 0.040 0.000 1.045 78 V CA -0.776 61.549 62.300 0.041 0.000 0.945 78 V CB 1.186 33.035 31.823 0.044 0.000 0.993 78 V HN 0.678 nan 8.190 nan 0.000 0.464 79 A N 5.231 128.075 122.820 0.041 0.000 2.580 79 A HA 0.407 4.727 4.320 -0.000 0.000 0.244 79 A C 1.425 179.036 177.584 0.045 0.000 1.045 79 A CA 0.670 52.732 52.037 0.043 0.000 0.761 79 A CB 0.083 19.103 19.000 0.034 0.000 0.962 79 A HN 1.780 nan 8.150 nan 0.000 0.512 80 A N 2.474 125.327 122.820 0.056 0.000 2.014 80 A HA 0.320 4.640 4.320 -0.000 0.000 0.218 80 A C 0.700 178.321 177.584 0.062 0.000 1.163 80 A CA 1.684 53.756 52.037 0.058 0.000 0.652 80 A CB -0.356 18.684 19.000 0.066 0.000 0.808 80 A HN 1.135 nan 8.150 nan 0.000 0.449 81 D N -5.702 114.742 120.400 0.073 0.000 2.769 81 D HA 0.268 4.908 4.640 -0.000 0.000 0.309 81 D C -2.863 173.467 176.300 0.050 0.000 1.315 81 D CA -0.983 53.052 54.000 0.060 0.000 0.780 81 D CB 0.064 40.936 40.800 0.121 0.000 1.312 81 D HN -0.202 nan 8.370 nan 0.000 0.437 82 P HA -0.103 nan 4.420 nan 0.000 0.216 82 P C 0.897 178.301 177.300 0.173 0.000 1.150 82 P CA 1.454 64.552 63.100 -0.003 0.000 0.837 82 P CB -0.126 31.483 31.700 -0.151 0.000 0.786 83 Y N -0.282 120.155 120.300 0.227 0.000 2.145 83 Y HA -0.207 4.343 4.550 -0.000 0.000 0.286 83 Y C 2.456 178.563 175.900 0.346 0.000 1.145 83 Y CA 1.402 59.683 58.100 0.302 0.000 1.148 83 Y CB -1.545 37.045 38.460 0.217 0.000 0.981 83 Y HN 0.017 nan 8.280 nan 0.000 0.507 84 D N 0.343 120.967 120.400 0.372 0.000 2.106 84 D HA -0.241 4.399 4.640 -0.000 0.000 0.191 84 D C 2.288 178.683 176.300 0.159 0.000 0.997 84 D CA 1.621 55.741 54.000 0.200 0.000 0.834 84 D CB -0.229 40.655 40.800 0.139 0.000 0.956 84 D HN 0.311 nan 8.370 nan 0.000 0.448 85 A N -0.270 122.633 122.820 0.137 0.000 1.873 85 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 85 A C 2.345 179.962 177.584 0.054 0.000 1.193 85 A CA 1.647 53.702 52.037 0.030 0.000 0.629 85 A CB -1.393 17.559 19.000 -0.080 0.000 0.826 85 A HN 0.420 nan 8.150 nan 0.000 0.447 86 Y N -1.149 119.270 120.300 0.198 0.000 2.224 86 Y HA -0.137 4.413 4.550 -0.000 0.000 0.289 86 Y C 2.237 178.443 175.900 0.509 0.000 1.146 86 Y CA 1.466 59.782 58.100 0.360 0.000 1.182 86 Y CB -0.210 38.513 38.460 0.438 0.000 0.983 86 Y HN 0.353 nan 8.280 nan 0.000 0.524 87 L N 0.467 121.929 121.223 0.398 0.000 2.141 87 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 87 L C 2.057 178.923 176.870 -0.007 0.000 1.094 87 L CA 1.570 56.320 54.840 -0.149 0.000 0.763 87 L CB -0.407 41.291 42.059 -0.600 0.000 0.908 87 L HN 0.063 nan 8.230 nan 0.000 0.437 88 R N -0.962 119.569 120.500 0.053 0.000 2.090 88 R HA -0.044 4.296 4.340 -0.000 0.000 0.228 88 R C 2.213 178.562 176.300 0.081 0.000 1.110 88 R CA 1.343 57.470 56.100 0.045 0.000 0.973 88 R CB -0.492 29.828 30.300 0.032 0.000 0.869 88 R HN 0.362 nan 8.270 nan 0.000 0.440 89 L N -0.229 121.048 121.223 0.091 0.000 2.017 89 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 89 L C 2.240 179.168 176.870 0.097 0.000 1.073 89 L CA 1.566 56.437 54.840 0.052 0.000 0.745 89 L CB -0.607 41.409 42.059 -0.071 0.000 0.894 89 L HN 0.227 nan 8.230 nan 0.000 0.432 90 H N -0.310 118.852 119.070 0.152 0.000 2.353 90 H HA -0.141 4.415 4.556 -0.000 0.000 0.300 90 H C 2.291 177.737 175.328 0.197 0.000 1.090 90 H CA 1.351 57.553 56.048 0.257 0.000 1.327 90 H CB -0.175 29.745 29.762 0.264 0.000 1.383 90 H HN 0.157 nan 8.280 nan 0.000 0.508 91 L N -0.251 121.083 121.223 0.185 0.000 2.079 91 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 91 L C 2.010 178.969 176.870 0.150 0.000 1.081 91 L CA 0.991 55.893 54.840 0.103 0.000 0.752 91 L CB -0.265 41.816 42.059 0.036 0.000 0.896 91 L HN 0.301 nan 8.230 nan 0.000 0.433 92 L N -1.737 119.576 121.223 0.150 0.000 2.102 92 L HA -0.096 4.244 4.340 -0.000 0.000 0.202 92 L C 2.613 179.568 176.870 0.141 0.000 1.076 92 L CA 0.789 55.728 54.840 0.166 0.000 0.761 92 L CB -0.288 41.846 42.059 0.125 0.000 0.921 92 L HN 0.104 nan 8.230 nan 0.000 0.444 93 S N -1.546 114.219 115.700 0.108 0.000 2.423 93 S HA -0.140 4.330 4.470 -0.000 0.000 0.231 93 S C 1.663 176.254 174.600 -0.015 0.000 1.014 93 S CA 0.704 58.918 58.200 0.025 0.000 0.965 93 S CB -0.364 62.838 63.200 0.004 0.000 0.785 93 S HN 0.423 nan 8.310 nan 0.000 0.495 94 H N 0.895 119.981 119.070 0.027 0.000 2.556 94 H HA 0.171 4.727 4.556 -0.000 0.000 0.268 94 H C 0.386 175.690 175.328 -0.040 0.000 0.996 94 H CA 0.413 56.476 56.048 0.024 0.000 1.157 94 H CB 0.152 29.961 29.762 0.078 0.000 1.355 94 H HN 0.296 nan 8.280 nan 0.000 0.597 95 R N -0.586 119.903 120.500 -0.018 0.000 3.875 95 R HA -0.194 4.146 4.340 -0.000 0.000 0.321 95 R C 1.012 177.360 176.300 0.081 0.000 1.196 95 R CA 0.338 56.367 56.100 -0.118 0.000 0.868 95 R CB -1.986 28.143 30.300 -0.284 0.000 1.333 95 R HN 0.323 nan 8.270 nan 0.000 0.522 96 L N -0.178 121.117 121.223 0.120 0.000 2.240 96 L HA 0.055 4.395 4.340 -0.000 0.000 0.211 96 L C 0.674 177.603 176.870 0.097 0.000 1.106 96 L CA 0.865 55.763 54.840 0.096 0.000 0.793 96 L CB 0.399 42.501 42.059 0.072 0.000 0.927 96 L HN -0.022 nan 8.230 nan 0.000 0.446 97 V N -0.383 119.610 119.914 0.133 0.000 2.638 97 V HA 0.554 4.674 4.120 -0.000 0.000 0.306 97 V C -0.031 176.164 176.094 0.168 0.000 1.052 97 V CA -0.936 61.432 62.300 0.113 0.000 0.885 97 V CB 1.702 33.567 31.823 0.071 0.000 0.999 97 V HN 0.089 nan 8.190 nan 0.000 0.424 98 A N 6.338 129.190 122.820 0.053 0.000 2.322 98 A HA 0.810 5.130 4.320 -0.000 0.000 0.269 98 A C -2.543 174.934 177.584 -0.179 0.000 1.094 98 A CA -1.598 50.313 52.037 -0.209 0.000 0.807 98 A CB 0.091 18.968 19.000 -0.204 0.000 1.047 98 A HN 0.644 nan 8.150 nan 0.000 0.487 99 P HA 0.019 nan 4.420 nan 0.000 0.261 99 P C -0.050 177.172 177.300 -0.129 0.000 1.173 99 P CA 1.049 64.004 63.100 -0.242 0.000 0.760 99 P CB -0.007 31.538 31.700 -0.259 0.000 0.783 100 H N 0.619 119.665 119.070 -0.040 0.000 3.642 100 H HA -0.143 4.413 4.556 -0.000 0.000 0.185 100 H C 1.517 176.836 175.328 -0.016 0.000 0.992 100 H CA 1.397 57.431 56.048 -0.025 0.000 1.216 100 H CB -2.056 27.684 29.762 -0.037 0.000 1.055 100 H HN 0.652 nan 8.280 nan 0.000 0.351 101 G N 0.651 109.479 108.800 0.048 0.000 2.598 101 G HA2 0.273 4.233 3.960 -0.000 0.000 0.215 101 G HA3 0.273 4.233 3.960 -0.000 0.000 0.215 101 G C 0.736 175.656 174.900 0.034 0.000 1.131 101 G CA 1.021 46.144 45.100 0.037 0.000 0.785 101 G HN 0.324 nan 8.290 nan 0.000 0.539 102 L N -3.916 117.325 121.223 0.029 0.000 2.415 102 L HA 0.565 4.905 4.340 -0.000 0.000 0.256 102 L C -0.881 176.011 176.870 0.037 0.000 1.010 102 L CA -1.725 53.133 54.840 0.030 0.000 0.826 102 L CB 1.086 43.159 42.059 0.024 0.000 1.405 102 L HN -0.258 nan 8.230 nan 0.000 0.410 103 N N 1.277 120.002 118.700 0.042 0.000 2.416 103 N HA 0.324 5.064 4.740 -0.000 0.000 0.271 103 N C 0.056 175.600 175.510 0.057 0.000 1.245 103 N CA 0.661 53.743 53.050 0.053 0.000 0.940 103 N CB 1.421 39.937 38.487 0.048 0.000 1.175 103 N HN 0.926 nan 8.380 nan 0.000 0.483 104 A N 2.705 125.567 122.820 0.070 0.000 2.610 104 A HA 0.356 4.676 4.320 -0.000 0.000 0.286 104 A C 0.941 178.610 177.584 0.141 0.000 1.306 104 A CA -0.409 51.690 52.037 0.103 0.000 0.942 104 A CB -0.312 18.770 19.000 0.136 0.000 1.112 104 A HN 0.557 nan 8.150 nan 0.000 0.527 105 G N -1.513 107.353 108.800 0.110 0.000 2.432 105 G HA2 0.476 4.436 3.960 -0.000 0.000 0.257 105 G HA3 0.476 4.436 3.960 -0.000 0.000 0.257 105 G C 1.079 176.047 174.900 0.114 0.000 1.238 105 G CA 0.270 45.439 45.100 0.115 0.000 0.838 105 G HN 1.481 nan 8.290 nan 0.000 0.547 106 G N 0.746 109.629 108.800 0.139 0.000 2.225 106 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.267 106 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.267 106 G C 1.114 176.092 174.900 0.130 0.000 1.024 106 G CA 0.590 45.774 45.100 0.140 0.000 0.784 106 G HN 0.652 nan 8.290 nan 0.000 0.507 107 L N -1.558 119.746 121.223 0.135 0.000 2.156 107 L HA 0.107 4.447 4.340 -0.000 0.000 0.208 107 L C 2.481 179.392 176.870 0.067 0.000 1.095 107 L CA 1.145 56.013 54.840 0.046 0.000 0.770 107 L CB -0.385 41.659 42.059 -0.025 0.000 0.914 107 L HN 0.322 nan 8.230 nan 0.000 0.439 108 F N 1.130 121.128 119.950 0.081 0.000 2.154 108 F HA -0.204 4.323 4.527 -0.000 0.000 0.301 108 F C 2.147 177.957 175.800 0.016 0.000 1.087 108 F CA 1.673 59.723 58.000 0.083 0.000 1.274 108 F CB -0.349 38.744 39.000 0.155 0.000 1.009 108 F HN -0.000 nan 8.300 nan 0.000 0.485 109 G N -1.063 107.797 108.800 0.101 0.000 2.430 109 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.216 109 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.216 109 G C 1.617 176.477 174.900 -0.066 0.000 1.146 109 G CA 0.868 45.974 45.100 0.010 0.000 0.793 109 G HN 0.315 nan 8.290 nan 0.000 0.537 110 V N 0.960 120.839 119.914 -0.059 0.000 2.446 110 V HA 0.166 4.286 4.120 -0.000 0.000 0.244 110 V C 1.513 177.530 176.094 -0.128 0.000 1.039 110 V CA 0.388 62.645 62.300 -0.071 0.000 1.045 110 V CB -0.411 31.386 31.823 -0.043 0.000 0.681 110 V HN 0.165 nan 8.190 nan 0.000 0.459 111 L N 0.744 121.845 121.223 -0.202 0.000 2.426 111 L HA 0.175 4.515 4.340 -0.000 0.000 0.271 111 L C 0.458 177.183 176.870 -0.241 0.000 1.169 111 L CA 0.254 54.938 54.840 -0.260 0.000 0.836 111 L CB 0.521 42.290 42.059 -0.483 0.000 1.112 111 L HN 0.156 nan 8.230 nan 0.000 0.465 112 T N 2.302 116.758 114.554 -0.164 0.000 2.856 112 T HA 0.072 4.422 4.350 -0.000 0.000 0.292 112 T C 0.186 174.791 174.700 -0.158 0.000 0.980 112 T CA -0.428 61.579 62.100 -0.154 0.000 1.091 112 T CB 0.449 69.243 68.868 -0.122 0.000 0.936 112 T HN 0.539 nan 8.240 nan 0.000 0.503 113 N N 2.578 121.177 118.700 -0.168 0.000 2.452 113 N HA 0.278 5.018 4.740 -0.000 0.000 0.266 113 N C -0.951 174.449 175.510 -0.184 0.000 1.175 113 N CA -0.257 52.714 53.050 -0.132 0.000 0.945 113 N CB 0.478 38.897 38.487 -0.114 0.000 1.063 113 N HN 0.213 nan 8.380 nan 0.000 0.472 114 V N 3.501 123.263 119.914 -0.253 0.000 2.769 114 V HA 0.283 4.403 4.120 -0.000 0.000 0.312 114 V C -0.095 175.586 176.094 -0.689 0.000 1.061 114 V CA -0.857 61.104 62.300 -0.565 0.000 0.931 114 V CB 2.063 33.299 31.823 -0.977 0.000 1.010 114 V HN 0.344 nan 8.190 nan 0.000 0.433 115 V N 3.001 122.532 119.914 -0.637 0.000 2.368 115 V HA 0.230 4.350 4.120 -0.000 0.000 0.266 115 V C -0.708 175.065 176.094 -0.535 0.000 1.045 115 V CA -0.431 61.524 62.300 -0.575 0.000 0.899 115 V CB 0.343 31.712 31.823 -0.757 0.000 1.006 115 V HN 0.853 nan 8.190 nan 0.000 0.470 116 W N 4.159 125.441 121.300 -0.030 0.000 2.358 116 W HA 0.552 5.212 4.660 -0.000 0.000 0.307 116 W C 0.828 177.349 176.519 0.002 0.000 1.203 116 W CA -0.335 57.056 57.345 0.076 0.000 1.279 116 W CB 1.000 30.576 29.460 0.193 0.000 1.264 116 W HN 0.651 nan 8.180 nan 0.000 0.474 117 T N -1.014 113.642 114.554 0.170 0.000 2.888 117 T HA 0.222 4.572 4.350 -0.000 0.000 0.288 117 T C 0.892 175.525 174.700 -0.111 0.000 1.063 117 T CA -0.918 61.128 62.100 -0.091 0.000 1.010 117 T CB 1.396 70.311 68.868 0.077 0.000 1.214 117 T HN 0.446 nan 8.240 nan 0.000 0.533 118 N N -0.221 118.310 118.700 -0.281 0.000 2.521 118 N HA -0.084 4.656 4.740 -0.000 0.000 0.188 118 N C 0.751 176.156 175.510 -0.175 0.000 1.146 118 N CA 0.545 53.511 53.050 -0.139 0.000 0.893 118 N CB -0.554 37.817 38.487 -0.194 0.000 0.975 118 N HN 0.743 nan 8.380 nan 0.000 0.451 119 H N -0.733 118.348 119.070 0.020 0.000 2.652 119 H HA 0.335 4.891 4.556 -0.000 0.000 0.274 119 H C 0.929 176.287 175.328 0.050 0.000 1.021 119 H CA 0.520 56.587 56.048 0.032 0.000 1.187 119 H CB 0.933 30.705 29.762 0.017 0.000 1.505 119 H HN 0.426 nan 8.280 nan 0.000 0.530 120 G N 1.783 110.684 108.800 0.169 0.000 2.408 120 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.682 120 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.682 120 G C -3.042 171.943 174.900 0.142 0.000 1.303 120 G CA -1.229 43.964 45.100 0.156 0.000 0.966 120 G HN -0.108 nan 8.290 nan 0.000 0.560 121 P HA 0.495 nan 4.420 nan 0.000 0.271 121 P C -0.149 177.079 177.300 -0.121 0.000 1.216 121 P CA -0.094 62.938 63.100 -0.112 0.000 0.776 121 P CB 0.880 32.495 31.700 -0.142 0.000 0.881 122 C N 1.827 120.998 119.300 -0.214 0.000 2.898 122 C HA 0.724 5.184 4.460 -0.000 0.000 0.304 122 C C 0.627 175.517 174.990 -0.167 0.000 1.237 122 C CA -0.563 58.401 59.018 -0.090 0.000 1.529 122 C CB 1.696 29.511 27.740 0.126 0.000 2.021 122 C HN 0.675 nan 8.230 nan 0.000 0.474 123 A N 1.862 124.638 122.820 -0.074 0.000 2.425 123 A HA 0.452 4.772 4.320 -0.000 0.000 0.242 123 A C 1.209 178.755 177.584 -0.062 0.000 1.077 123 A CA -0.112 51.874 52.037 -0.086 0.000 0.781 123 A CB 0.134 19.108 19.000 -0.044 0.000 1.020 123 A HN 0.809 nan 8.150 nan 0.000 0.494 124 I N 0.163 120.674 120.570 -0.098 0.000 2.252 124 I HA -0.109 4.061 4.170 -0.000 0.000 0.245 124 I C 0.178 176.307 176.117 0.020 0.000 1.102 124 I CA 0.934 62.195 61.300 -0.065 0.000 1.385 124 I CB -0.920 37.034 38.000 -0.076 0.000 1.064 124 I HN 0.518 nan 8.210 nan 0.000 0.414 125 D N 1.958 122.358 120.400 0.000 0.000 2.412 125 D HA 0.208 4.848 4.640 -0.000 0.000 0.257 125 D C 1.128 177.448 176.300 0.033 0.000 1.217 125 D CA 1.019 55.025 54.000 0.011 0.000 0.897 125 D CB 0.417 41.211 40.800 -0.009 0.000 1.132 125 D HN 0.477 nan 8.370 nan 0.000 0.493 126 G N 2.861 111.685 108.800 0.041 0.000 2.198 126 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.257 126 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.257 126 G C 0.669 175.592 174.900 0.038 0.000 1.042 126 G CA 0.241 45.355 45.100 0.023 0.000 0.791 126 G HN 0.550 nan 8.290 nan 0.000 0.502 127 F N 0.446 120.365 119.950 -0.051 0.000 2.206 127 F HA 0.046 4.573 4.527 -0.000 0.000 0.298 127 F C 2.293 178.062 175.800 -0.052 0.000 1.090 127 F CA 1.817 59.783 58.000 -0.058 0.000 1.323 127 F CB 0.231 39.195 39.000 -0.059 0.000 1.028 127 F HN 0.227 nan 8.300 nan 0.000 0.492 128 E N 0.642 120.778 120.200 -0.107 0.000 2.150 128 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 128 E C 2.346 178.787 176.600 -0.266 0.000 0.985 128 E CA 1.070 57.353 56.400 -0.196 0.000 0.814 128 E CB -0.710 28.971 29.700 -0.032 0.000 0.752 128 E HN 0.512 nan 8.360 nan 0.000 0.466 129 A N 0.918 123.622 122.820 -0.193 0.000 1.929 129 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 129 A C 2.604 180.044 177.584 -0.239 0.000 1.176 129 A CA 0.955 52.888 52.037 -0.173 0.000 0.628 129 A CB -0.601 18.335 19.000 -0.107 0.000 0.816 129 A HN 0.117 nan 8.150 nan 0.000 0.444 130 V N 0.408 120.144 119.914 -0.297 0.000 2.282 130 V HA -0.311 3.809 4.120 -0.000 0.000 0.249 130 V C 2.697 178.512 176.094 -0.465 0.000 1.057 130 V CA 2.465 64.566 62.300 -0.331 0.000 1.032 130 V CB -0.755 30.897 31.823 -0.285 0.000 0.645 130 V HN 0.692 nan 8.190 nan 0.000 0.447 131 R N 0.034 120.072 120.500 -0.771 0.000 2.096 131 R HA -0.226 4.114 4.340 -0.000 0.000 0.240 131 R C 2.277 178.367 176.300 -0.351 0.000 1.139 131 R CA 2.020 57.718 56.100 -0.670 0.000 0.952 131 R CB -0.520 29.326 30.300 -0.758 0.000 0.854 131 R HN 0.496 nan 8.270 nan 0.000 0.436 132 A N 1.063 123.716 122.820 -0.277 0.000 1.902 132 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 132 A C 2.229 179.715 177.584 -0.163 0.000 1.181 132 A CA 1.340 53.271 52.037 -0.176 0.000 0.623 132 A CB -0.486 18.433 19.000 -0.134 0.000 0.818 132 A HN 0.361 nan 8.150 nan 0.000 0.443 133 R N -0.831 119.560 120.500 -0.182 0.000 2.096 133 R HA -0.048 4.292 4.340 -0.000 0.000 0.235 133 R C 2.016 178.209 176.300 -0.179 0.000 1.127 133 R CA 1.457 57.464 56.100 -0.155 0.000 0.968 133 R CB -0.435 29.777 30.300 -0.147 0.000 0.861 133 R HN 0.537 nan 8.270 nan 0.000 0.440 134 L N -0.247 120.819 121.223 -0.262 0.000 2.109 134 L HA -0.080 4.260 4.340 -0.000 0.000 0.207 134 L C 2.455 179.157 176.870 -0.280 0.000 1.086 134 L CA 0.905 55.518 54.840 -0.379 0.000 0.760 134 L CB -0.315 41.357 42.059 -0.644 0.000 0.910 134 L HN 0.087 nan 8.230 nan 0.000 0.437 135 R N 0.116 120.503 120.500 -0.189 0.000 2.226 135 R HA -0.206 4.134 4.340 -0.000 0.000 0.246 135 R C 2.272 178.541 176.300 -0.051 0.000 1.161 135 R CA 1.205 57.254 56.100 -0.084 0.000 0.997 135 R CB -0.253 30.006 30.300 -0.069 0.000 0.870 135 R HN 0.351 nan 8.270 nan 0.000 0.465 136 R N -0.254 120.203 120.500 -0.071 0.000 2.193 136 R HA -0.104 4.236 4.340 -0.000 0.000 0.229 136 R C 2.051 178.342 176.300 -0.016 0.000 1.110 136 R CA 1.268 57.342 56.100 -0.042 0.000 0.988 136 R CB 0.015 30.284 30.300 -0.051 0.000 0.871 136 R HN 0.219 nan 8.270 nan 0.000 0.458 137 R N -0.913 119.582 120.500 -0.009 0.000 2.112 137 R HA 0.204 4.544 4.340 -0.000 0.000 0.216 137 R C 0.797 177.161 176.300 0.107 0.000 1.080 137 R CA 0.673 56.810 56.100 0.062 0.000 0.996 137 R CB 0.543 30.916 30.300 0.120 0.000 0.902 137 R HN 0.237 nan 8.270 nan 0.000 0.449 138 G N -0.037 108.835 108.800 0.121 0.000 2.341 138 G HA2 0.063 4.023 3.960 -0.000 0.000 0.293 138 G HA3 0.063 4.023 3.960 -0.000 0.000 0.293 138 G C -2.919 172.070 174.900 0.148 0.000 1.298 138 G CA -1.351 43.814 45.100 0.108 0.000 0.868 138 G HN -0.258 nan 8.290 nan 0.000 0.540 139 P HA 0.192 nan 4.420 nan 0.000 0.266 139 P C -0.054 177.347 177.300 0.169 0.000 1.162 139 P CA 0.074 63.228 63.100 0.090 0.000 0.758 139 P CB 0.454 32.186 31.700 0.053 0.000 0.774 140 V N 4.113 124.096 119.914 0.116 0.000 2.384 140 V HA 0.325 4.445 4.120 -0.000 0.000 0.287 140 V C 0.343 176.484 176.094 0.079 0.000 1.020 140 V CA -0.104 62.283 62.300 0.144 0.000 0.850 140 V CB 1.626 33.497 31.823 0.079 0.000 0.987 140 V HN 0.460 nan 8.190 nan 0.000 0.436 141 T N 4.424 118.988 114.554 0.016 0.000 2.786 141 T HA 0.472 4.822 4.350 -0.000 0.000 0.283 141 T C -0.300 174.257 174.700 -0.237 0.000 0.992 141 T CA -0.354 61.688 62.100 -0.098 0.000 0.954 141 T CB 1.571 70.355 68.868 -0.140 0.000 0.934 141 T HN 0.324 nan 8.240 nan 0.000 0.440 142 V N 5.217 125.062 119.914 -0.115 0.000 2.348 142 V HA 0.217 4.337 4.120 -0.000 0.000 0.270 142 V C 0.354 176.433 176.094 -0.026 0.000 1.037 142 V CA -0.391 61.845 62.300 -0.108 0.000 0.872 142 V CB 0.290 32.087 31.823 -0.044 0.000 1.002 142 V HN 0.959 nan 8.190 nan 0.000 0.464 143 Y N 3.684 124.069 120.300 0.142 0.000 2.184 143 Y HA 0.255 4.805 4.550 -0.000 0.000 0.290 143 Y C 1.584 177.570 175.900 0.144 0.000 1.129 143 Y CA 0.684 58.865 58.100 0.135 0.000 1.144 143 Y CB 0.323 38.873 38.460 0.150 0.000 0.995 143 Y HN 0.693 nan 8.280 nan 0.000 0.513 144 G N -1.200 107.830 108.800 0.384 0.000 2.608 144 G HA2 0.477 4.437 3.960 -0.000 0.000 0.291 144 G HA3 0.477 4.437 3.960 -0.000 0.000 0.291 144 G C -2.180 172.920 174.900 0.335 0.000 1.425 144 G CA -0.608 44.681 45.100 0.315 0.000 0.787 144 G HN -0.261 nan 8.290 nan 0.000 0.484 145 V N 1.580 121.638 119.914 0.239 0.000 2.357 145 V HA 0.622 4.742 4.120 -0.000 0.000 0.281 145 V C -1.045 175.180 176.094 0.218 0.000 1.015 145 V CA -0.392 61.991 62.300 0.138 0.000 0.827 145 V CB 1.027 32.854 31.823 0.008 0.000 1.018 145 V HN 0.787 nan 8.190 nan 0.000 0.432 146 D N 2.188 122.799 120.400 0.353 0.000 2.639 146 D HA 0.379 5.019 4.640 -0.000 0.000 0.271 146 D C 0.478 177.013 176.300 0.393 0.000 1.254 146 D CA -0.651 53.575 54.000 0.377 0.000 0.810 146 D CB 2.409 43.462 40.800 0.422 0.000 1.351 146 D HN 0.215 nan 8.370 nan 0.000 0.427 147 K N -0.070 120.455 120.400 0.209 0.000 2.305 147 K HA 0.165 4.485 4.320 -0.000 0.000 0.199 147 K C 0.017 176.423 176.600 -0.323 0.000 1.047 147 K CA 0.684 56.904 56.287 -0.112 0.000 0.976 147 K CB 0.220 32.498 32.500 -0.370 0.000 0.765 147 K HN 0.172 nan 8.250 nan 0.000 0.474 148 F N 1.799 121.855 119.950 0.178 0.000 2.426 148 F HA 0.304 4.831 4.527 -0.000 0.000 0.348 148 F C -1.935 173.777 175.800 -0.145 0.000 1.124 148 F CA -2.838 55.163 58.000 0.002 0.000 1.008 148 F CB 1.183 40.180 39.000 -0.006 0.000 1.139 148 F HN -0.123 nan 8.300 nan 0.000 0.452 149 P HA 0.381 nan 4.420 nan 0.000 0.332 149 P C -0.980 176.142 177.300 -0.296 0.000 1.298 149 P CA -0.785 61.844 63.100 -0.785 0.000 0.755 149 P CB 1.028 32.082 31.700 -1.076 0.000 1.465 150 R N 0.022 120.384 120.500 -0.231 0.000 2.221 150 R HA 0.314 4.654 4.340 -0.000 0.000 0.327 150 R C 1.552 177.865 176.300 0.022 0.000 1.033 150 R CA -0.350 55.690 56.100 -0.101 0.000 0.887 150 R CB 0.577 30.787 30.300 -0.150 0.000 1.057 150 R HN 0.491 nan 8.270 nan 0.000 0.455 151 M N 3.641 123.234 119.600 -0.012 0.000 2.108 151 M HA -0.215 4.265 4.480 -0.000 0.000 0.257 151 M C 1.568 177.905 176.300 0.062 0.000 1.071 151 M CA 2.203 57.513 55.300 0.017 0.000 1.093 151 M CB 0.057 32.630 32.600 -0.045 0.000 1.345 151 M HN 0.559 nan 8.290 nan 0.000 0.403 152 V N -2.574 117.329 119.914 -0.018 0.000 3.078 152 V HA -0.130 3.990 4.120 -0.000 0.000 0.265 152 V C 0.827 176.860 176.094 -0.101 0.000 1.122 152 V CA 1.712 63.978 62.300 -0.056 0.000 1.141 152 V CB -1.132 30.638 31.823 -0.088 0.000 0.735 152 V HN 0.359 nan 8.190 nan 0.000 0.498 153 D N -1.125 119.203 120.400 -0.120 0.000 2.328 153 D HA 0.125 4.765 4.640 -0.000 0.000 0.226 153 D C 1.095 176.964 176.300 -0.718 0.000 1.066 153 D CA 0.747 54.526 54.000 -0.368 0.000 0.861 153 D CB 0.223 40.799 40.800 -0.373 0.000 0.912 153 D HN 0.683 nan 8.370 nan 0.000 0.521 154 Y N -1.110 119.112 120.300 -0.129 0.000 2.723 154 Y HA 0.231 4.781 4.550 -0.000 0.000 0.272 154 Y C 0.481 176.499 175.900 0.197 0.000 1.142 154 Y CA -0.282 57.826 58.100 0.013 0.000 1.217 154 Y CB 1.380 39.942 38.460 0.171 0.000 1.391 154 Y HN -0.212 nan 8.280 nan 0.000 0.479 155 V N 0.706 120.740 119.914 0.201 0.000 2.891 155 V HA 0.586 4.706 4.120 -0.000 0.000 0.304 155 V C -1.848 174.226 176.094 -0.033 0.000 1.171 155 V CA -0.830 61.515 62.300 0.074 0.000 0.943 155 V CB 2.164 33.910 31.823 -0.128 0.000 1.037 155 V HN -0.216 nan 8.190 nan 0.000 0.427 156 V N 8.103 127.987 119.914 -0.049 0.000 2.275 156 V HA 0.440 4.560 4.120 -0.000 0.000 0.272 156 V C -2.096 173.949 176.094 -0.081 0.000 1.028 156 V CA -1.430 60.832 62.300 -0.064 0.000 0.810 156 V CB 1.033 32.827 31.823 -0.049 0.000 1.043 156 V HN 0.894 nan 8.190 nan 0.000 0.453 157 P HA 0.139 nan 4.420 nan 0.000 0.266 157 P C 0.500 177.757 177.300 -0.072 0.000 1.195 157 P CA 0.168 63.202 63.100 -0.110 0.000 0.768 157 P CB 0.244 31.868 31.700 -0.127 0.000 0.838 158 T N -1.503 113.018 114.554 -0.055 0.000 2.856 158 T HA 0.387 4.737 4.350 -0.000 0.000 0.306 158 T C 1.166 175.841 174.700 -0.041 0.000 1.062 158 T CA 0.120 62.197 62.100 -0.038 0.000 1.083 158 T CB 0.245 69.100 68.868 -0.023 0.000 0.984 158 T HN 0.861 nan 8.240 nan 0.000 0.542 159 G N -0.060 108.721 108.800 -0.032 0.000 2.143 159 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.248 159 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.248 159 G C -0.058 174.822 174.900 -0.035 0.000 0.991 159 G CA -0.003 45.080 45.100 -0.029 0.000 0.689 159 G HN 1.176 nan 8.290 nan 0.000 0.522 160 V N 0.089 119.978 119.914 -0.041 0.000 2.709 160 V HA 0.684 4.804 4.120 -0.000 0.000 0.308 160 V C 0.268 176.334 176.094 -0.047 0.000 1.062 160 V CA -1.055 61.217 62.300 -0.048 0.000 0.901 160 V CB 1.938 33.724 31.823 -0.062 0.000 1.003 160 V HN 0.344 nan 8.190 nan 0.000 0.425 161 R N 3.839 124.310 120.500 -0.047 0.000 2.589 161 R HA 0.783 5.123 4.340 -0.000 0.000 0.293 161 R C -1.331 174.928 176.300 -0.068 0.000 0.963 161 R CA -0.665 55.403 56.100 -0.052 0.000 0.905 161 R CB 2.179 32.454 30.300 -0.042 0.000 1.144 161 R HN 0.609 nan 8.270 nan 0.000 0.459 162 I N 1.838 122.358 120.570 -0.084 0.000 2.497 162 I HA 0.221 4.391 4.170 -0.000 0.000 0.284 162 I C 0.557 176.589 176.117 -0.142 0.000 1.060 162 I CA -0.339 60.898 61.300 -0.106 0.000 1.071 162 I CB 2.082 40.023 38.000 -0.098 0.000 1.216 162 I HN 0.759 nan 8.210 nan 0.000 0.442 163 A N 3.720 126.410 122.820 -0.217 0.000 1.935 163 A HA 0.007 4.327 4.320 -0.000 0.000 0.214 163 A C 0.663 178.022 177.584 -0.376 0.000 1.178 163 A CA 1.175 52.996 52.037 -0.360 0.000 0.640 163 A CB -0.006 18.603 19.000 -0.652 0.000 0.825 163 A HN 0.691 nan 8.150 nan 0.000 0.447 164 D N -1.358 118.865 120.400 -0.294 0.000 2.473 164 D HA 0.562 5.202 4.640 -0.000 0.000 0.253 164 D C 0.355 176.595 176.300 -0.100 0.000 1.233 164 D CA 0.182 54.088 54.000 -0.157 0.000 0.908 164 D CB 1.409 42.153 40.800 -0.093 0.000 1.170 164 D HN 0.043 nan 8.370 nan 0.000 0.558 165 A N 3.390 126.151 122.820 -0.098 0.000 2.206 165 A HA -0.030 4.290 4.320 -0.000 0.000 0.211 165 A C 1.390 178.929 177.584 -0.076 0.000 1.158 165 A CA 0.411 52.392 52.037 -0.093 0.000 0.761 165 A CB -0.020 18.914 19.000 -0.109 0.000 0.801 165 A HN 0.498 nan 8.150 nan 0.000 0.473 166 D N 0.242 120.606 120.400 -0.059 0.000 2.309 166 D HA -0.098 4.542 4.640 -0.000 0.000 0.212 166 D C 1.445 177.770 176.300 0.043 0.000 0.968 166 D CA 0.764 54.749 54.000 -0.025 0.000 0.882 166 D CB -0.042 40.757 40.800 -0.002 0.000 0.918 166 D HN 0.337 nan 8.370 nan 0.000 0.503 167 R N 0.092 120.624 120.500 0.053 0.000 2.427 167 R HA 0.198 4.538 4.340 -0.000 0.000 0.262 167 R C -0.258 176.088 176.300 0.077 0.000 0.943 167 R CA -0.039 56.168 56.100 0.178 0.000 1.081 167 R CB 1.252 31.651 30.300 0.164 0.000 1.166 167 R HN -0.014 nan 8.270 nan 0.000 0.534 168 V N 1.982 121.878 119.914 -0.030 0.000 2.407 168 V HA 0.323 4.443 4.120 -0.000 0.000 0.291 168 V C 0.309 176.342 176.094 -0.103 0.000 1.018 168 V CA -0.855 61.359 62.300 -0.143 0.000 0.842 168 V CB 2.302 34.046 31.823 -0.133 0.000 0.996 168 V HN 0.074 nan 8.190 nan 0.000 0.426 169 R N 2.673 123.089 120.500 -0.140 0.000 2.490 169 R HA 0.329 4.669 4.340 -0.000 0.000 0.280 169 R C -0.262 176.007 176.300 -0.051 0.000 1.077 169 R CA -0.786 55.285 56.100 -0.048 0.000 1.065 169 R CB 0.783 31.078 30.300 -0.007 0.000 1.003 169 R HN 0.546 nan 8.270 nan 0.000 0.470 170 L N 2.490 123.684 121.223 -0.048 0.000 2.640 170 L HA -0.017 4.323 4.340 -0.000 0.000 0.280 170 L C 1.138 177.989 176.870 -0.032 0.000 1.229 170 L CA 2.118 56.899 54.840 -0.099 0.000 0.919 170 L CB 0.248 42.150 42.059 -0.261 0.000 1.168 170 L HN 0.954 nan 8.230 nan 0.000 0.496 171 G N 2.750 111.535 108.800 -0.025 0.000 2.195 171 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.224 171 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.224 171 G C 0.350 175.275 174.900 0.040 0.000 0.990 171 G CA 0.108 45.239 45.100 0.051 0.000 0.639 171 G HN 1.272 nan 8.290 nan 0.000 0.514 172 A N 0.815 123.622 122.820 -0.023 0.000 2.401 172 A HA 0.591 4.911 4.320 -0.000 0.000 0.259 172 A C 0.104 177.693 177.584 0.008 0.000 1.103 172 A CA 0.056 52.060 52.037 -0.054 0.000 0.789 172 A CB 0.284 19.200 19.000 -0.141 0.000 1.035 172 A HN 0.864 nan 8.150 nan 0.000 0.491 173 H N 3.700 122.722 119.070 -0.079 0.000 2.595 173 H HA 0.497 5.053 4.556 -0.000 0.000 0.313 173 H C -1.664 173.629 175.328 -0.059 0.000 1.023 173 H CA -0.556 55.461 56.048 -0.051 0.000 1.218 173 H CB 0.513 30.251 29.762 -0.040 0.000 1.403 173 H HN 0.537 nan 8.280 nan 0.000 0.477 174 L N 5.319 126.458 121.223 -0.140 0.000 2.324 174 L HA 0.457 4.797 4.340 -0.000 0.000 0.274 174 L C 0.631 177.432 176.870 -0.114 0.000 1.012 174 L CA -0.922 53.874 54.840 -0.073 0.000 0.859 174 L CB 1.258 43.268 42.059 -0.082 0.000 1.224 174 L HN 0.565 nan 8.230 nan 0.000 0.429 175 A N 4.650 127.452 122.820 -0.030 0.000 2.483 175 A HA 0.427 4.747 4.320 -0.000 0.000 0.238 175 A C -2.220 175.345 177.584 -0.031 0.000 1.070 175 A CA -0.932 51.092 52.037 -0.023 0.000 0.770 175 A CB -0.413 18.628 19.000 0.068 0.000 1.008 175 A HN 0.429 nan 8.150 nan 0.000 0.497 176 P HA 0.155 nan 4.420 nan 0.000 0.260 176 P C 0.926 178.217 177.300 -0.015 0.000 1.172 176 P CA 2.237 65.322 63.100 -0.025 0.000 0.760 176 P CB 0.306 31.996 31.700 -0.017 0.000 0.773 177 G N 1.475 110.264 108.800 -0.018 0.000 2.159 177 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.227 177 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.227 177 G C 0.222 175.112 174.900 -0.015 0.000 0.986 177 G CA -0.246 44.846 45.100 -0.013 0.000 0.651 177 G HN 0.564 nan 8.290 nan 0.000 0.523 178 T N 1.780 116.321 114.554 -0.022 0.000 2.832 178 T HA 0.543 4.893 4.350 -0.000 0.000 0.296 178 T C 0.182 174.864 174.700 -0.030 0.000 0.968 178 T CA 0.690 62.775 62.100 -0.024 0.000 1.107 178 T CB 1.412 70.263 68.868 -0.028 0.000 0.916 178 T HN 0.163 nan 8.240 nan 0.000 0.517 179 T N 3.466 118.004 114.554 -0.027 0.000 2.786 179 T HA 0.443 4.793 4.350 -0.000 0.000 0.283 179 T C -0.241 174.438 174.700 -0.035 0.000 0.992 179 T CA -0.503 61.578 62.100 -0.030 0.000 0.954 179 T CB 0.818 69.675 68.868 -0.019 0.000 0.934 179 T HN 0.317 nan 8.240 nan 0.000 0.440 180 V N 5.776 125.659 119.914 -0.052 0.000 2.350 180 V HA 0.417 4.537 4.120 -0.000 0.000 0.276 180 V C 0.211 176.263 176.094 -0.069 0.000 1.028 180 V CA -0.824 61.443 62.300 -0.056 0.000 0.860 180 V CB 1.037 32.816 31.823 -0.072 0.000 0.990 180 V HN 0.774 nan 8.190 nan 0.000 0.453 181 M N 2.528 122.109 119.600 -0.032 0.000 2.369 181 M HA 0.384 4.864 4.480 -0.000 0.000 0.291 181 M C 1.517 177.802 176.300 -0.025 0.000 1.178 181 M CA -0.321 54.970 55.300 -0.016 0.000 0.996 181 M CB 0.302 32.953 32.600 0.086 0.000 1.472 181 M HN 0.689 nan 8.290 nan 0.000 0.496 182 H N -0.119 118.957 119.070 0.011 0.000 2.394 182 H HA -0.180 4.376 4.556 -0.000 0.000 0.297 182 H C 1.495 176.840 175.328 0.029 0.000 1.113 182 H CA 2.082 58.140 56.048 0.017 0.000 1.277 182 H CB -0.056 29.713 29.762 0.011 0.000 1.370 182 H HN 0.566 nan 8.280 nan 0.000 0.506 183 E N 0.844 121.138 120.200 0.158 0.000 2.400 183 E HA 0.099 4.449 4.350 -0.000 0.000 0.195 183 E C 1.173 177.832 176.600 0.098 0.000 1.012 183 E CA 0.339 56.803 56.400 0.107 0.000 0.875 183 E CB -0.028 29.721 29.700 0.081 0.000 0.859 183 E HN 0.442 nan 8.360 nan 0.000 0.498 184 G N 0.330 109.179 108.800 0.081 0.000 2.630 184 G HA2 0.226 4.186 3.960 -0.000 0.000 0.236 184 G HA3 0.226 4.186 3.960 -0.000 0.000 0.236 184 G C -0.782 174.208 174.900 0.149 0.000 1.248 184 G CA 0.056 45.200 45.100 0.073 0.000 0.844 184 G HN 0.199 nan 8.290 nan 0.000 0.588 185 F N 0.950 120.882 119.950 -0.030 0.000 2.622 185 F HA 0.515 5.042 4.527 -0.000 0.000 0.318 185 F C -1.249 174.522 175.800 -0.049 0.000 1.135 185 F CA -1.018 56.959 58.000 -0.037 0.000 1.015 185 F CB 1.720 40.701 39.000 -0.031 0.000 1.275 185 F HN 0.445 nan 8.300 nan 0.000 0.457 186 V N 5.814 125.100 119.914 -1.046 0.000 2.483 186 V HA 0.395 4.515 4.120 -0.000 0.000 0.297 186 V C -0.246 175.167 176.094 -1.135 0.000 1.027 186 V CA -0.800 60.968 62.300 -0.885 0.000 0.855 186 V CB 1.312 32.893 31.823 -0.405 0.000 0.995 186 V HN 0.844 nan 8.190 nan 0.000 0.424 187 N N 2.229 120.360 118.700 -0.949 0.000 2.364 187 N HA 0.291 5.031 4.740 -0.000 0.000 0.264 187 N C -0.388 174.886 175.510 -0.393 0.000 1.263 187 N CA -0.393 52.299 53.050 -0.596 0.000 0.959 187 N CB 0.711 38.986 38.487 -0.354 0.000 1.204 187 N HN 0.664 nan 8.380 nan 0.000 0.550 188 Y N -0.072 120.039 120.300 -0.313 0.000 2.357 188 Y HA 0.195 4.745 4.550 -0.000 0.000 0.340 188 Y C 0.817 176.600 175.900 -0.195 0.000 1.260 188 Y CA -0.803 57.152 58.100 -0.241 0.000 1.425 188 Y CB 0.087 38.389 38.460 -0.263 0.000 1.326 188 Y HN 0.703 nan 8.280 nan 0.000 0.580 189 N N 0.018 118.708 118.700 -0.016 0.000 2.727 189 N HA -0.185 4.555 4.740 -0.000 0.000 0.249 189 N C -1.480 173.871 175.510 -0.265 0.000 1.048 189 N CA 0.904 53.869 53.050 -0.142 0.000 0.714 189 N CB -1.244 37.151 38.487 -0.153 0.000 0.959 189 N HN 1.242 nan 8.380 nan 0.000 0.544 190 A N -1.639 121.063 122.820 -0.197 0.000 2.610 190 A HA 0.939 5.259 4.320 -0.000 0.000 0.291 190 A C 0.665 178.178 177.584 -0.117 0.000 1.086 190 A CA 0.297 52.222 52.037 -0.186 0.000 0.677 190 A CB 1.230 20.084 19.000 -0.242 0.000 1.278 190 A HN 1.275 nan 8.150 nan 0.000 0.414 191 G N -0.899 107.844 108.800 -0.095 0.000 2.347 191 G HA2 0.590 4.550 3.960 -0.000 0.000 0.224 191 G HA3 0.590 4.550 3.960 -0.000 0.000 0.224 191 G C -0.329 174.566 174.900 -0.008 0.000 1.318 191 G CA 0.753 45.832 45.100 -0.036 0.000 1.016 191 G HN 2.223 nan 8.290 nan 0.000 0.469 192 T N -0.945 113.651 114.554 0.071 0.000 2.908 192 T HA 0.706 5.056 4.350 -0.000 0.000 0.290 192 T C 0.977 175.750 174.700 0.123 0.000 1.034 192 T CA -0.525 61.608 62.100 0.056 0.000 1.010 192 T CB 1.862 70.749 68.868 0.032 0.000 1.068 192 T HN 0.706 nan 8.240 nan 0.000 0.481 193 L N 0.604 121.864 121.223 0.061 0.000 2.556 193 L HA 0.446 4.786 4.340 -0.000 0.000 0.226 193 L C 1.423 178.336 176.870 0.071 0.000 1.089 193 L CA 0.002 54.890 54.840 0.081 0.000 0.864 193 L CB -0.243 41.826 42.059 0.017 0.000 1.067 193 L HN 0.929 nan 8.230 nan 0.000 0.477 194 G N -0.404 108.422 108.800 0.043 0.000 3.247 194 G HA2 0.621 4.581 3.960 -0.000 0.000 0.199 194 G HA3 0.621 4.581 3.960 -0.000 0.000 0.199 194 G C -1.152 173.758 174.900 0.017 0.000 1.172 194 G CA 0.028 45.144 45.100 0.027 0.000 0.844 194 G HN -0.003 nan 8.290 nan 0.000 0.619 195 A N 0.233 123.058 122.820 0.008 0.000 2.415 195 A HA 0.670 4.990 4.320 -0.000 0.000 0.309 195 A C 0.091 177.675 177.584 -0.001 0.000 1.356 195 A CA 0.021 52.059 52.037 0.001 0.000 0.998 195 A CB -0.215 18.785 19.000 -0.000 0.000 1.145 195 A HN 0.530 nan 8.150 nan 0.000 0.545 196 S N 1.481 117.179 115.700 -0.004 0.000 2.536 196 S HA 0.615 5.085 4.470 -0.000 0.000 0.298 196 S C -0.438 174.157 174.600 -0.009 0.000 1.083 196 S CA -0.510 57.686 58.200 -0.006 0.000 0.995 196 S CB 1.403 64.598 63.200 -0.008 0.000 1.058 196 S HN 0.764 nan 8.310 nan 0.000 0.488 197 M N 3.587 123.183 119.600 -0.007 0.000 2.084 197 M HA 0.460 4.940 4.480 -0.000 0.000 0.351 197 M C -1.597 174.699 176.300 -0.008 0.000 1.240 197 M CA -0.349 54.947 55.300 -0.006 0.000 1.083 197 M CB 0.291 32.890 32.600 -0.001 0.000 1.593 197 M HN 0.325 nan 8.290 nan 0.000 0.463 198 V N 6.680 126.588 119.914 -0.011 0.000 2.350 198 V HA 0.402 4.522 4.120 -0.000 0.000 0.285 198 V C 0.070 176.166 176.094 0.003 0.000 1.014 198 V CA -0.327 61.966 62.300 -0.011 0.000 0.831 198 V CB 0.960 32.766 31.823 -0.028 0.000 1.000 198 V HN 0.931 nan 8.190 nan 0.000 0.433 199 E N 2.885 123.094 120.200 0.014 0.000 2.676 199 E HA 0.319 4.669 4.350 -0.000 0.000 0.225 199 E C 0.736 177.360 176.600 0.040 0.000 0.944 199 E CA 0.064 56.484 56.400 0.033 0.000 1.156 199 E CB 1.980 31.699 29.700 0.031 0.000 1.117 199 E HN 0.767 nan 8.360 nan 0.000 0.523 200 G N 0.878 109.698 108.800 0.034 0.000 3.176 200 G HA2 0.540 4.500 3.960 -0.000 0.000 0.272 200 G HA3 0.540 4.500 3.960 -0.000 0.000 0.272 200 G C -0.910 174.033 174.900 0.072 0.000 1.349 200 G CA -0.839 44.286 45.100 0.041 0.000 0.953 200 G HN -0.111 nan 8.290 nan 0.000 0.559 201 R N 0.018 120.570 120.500 0.086 0.000 2.246 201 R HA 0.376 4.716 4.340 -0.000 0.000 0.332 201 R C -0.655 175.717 176.300 0.121 0.000 0.974 201 R CA -0.375 55.833 56.100 0.180 0.000 0.837 201 R CB 1.524 31.941 30.300 0.195 0.000 1.145 201 R HN 0.289 nan 8.270 nan 0.000 0.467 202 I N 2.941 123.554 120.570 0.071 0.000 2.287 202 I HA 0.096 4.266 4.170 -0.000 0.000 0.290 202 I C 0.306 176.405 176.117 -0.030 0.000 1.069 202 I CA -0.153 61.132 61.300 -0.025 0.000 1.237 202 I CB 1.068 39.006 38.000 -0.103 0.000 1.418 202 I HN 0.559 nan 8.210 nan 0.000 0.481 203 S N 4.266 119.976 115.700 0.018 0.000 2.572 203 S HA 0.214 4.684 4.470 -0.000 0.000 0.267 203 S C 0.723 175.240 174.600 -0.139 0.000 1.361 203 S CA -0.723 57.476 58.200 -0.001 0.000 1.009 203 S CB 0.630 63.823 63.200 -0.011 0.000 0.888 203 S HN 0.728 nan 8.310 nan 0.000 0.553 204 A N 0.752 123.430 122.820 -0.237 0.000 2.540 204 A HA 0.464 4.784 4.320 -0.000 0.000 0.239 204 A C 1.580 178.996 177.584 -0.280 0.000 1.061 204 A CA 0.268 52.030 52.037 -0.457 0.000 0.758 204 A CB -1.157 17.400 19.000 -0.737 0.000 0.991 204 A HN 1.904 nan 8.150 nan 0.000 0.502 205 G N 0.746 109.376 108.800 -0.283 0.000 2.199 205 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.254 205 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.254 205 G C 0.248 175.169 174.900 0.035 0.000 0.982 205 G CA 0.201 45.241 45.100 -0.099 0.000 0.632 205 G HN 1.447 nan 8.290 nan 0.000 0.529 206 V N 1.099 120.975 119.914 -0.063 0.000 2.465 206 V HA 0.611 4.731 4.120 -0.000 0.000 0.279 206 V C 0.462 176.531 176.094 -0.042 0.000 1.045 206 V CA -0.505 61.775 62.300 -0.033 0.000 0.938 206 V CB 1.732 33.524 31.823 -0.051 0.000 0.986 206 V HN 0.267 nan 8.190 nan 0.000 0.467 207 V N 5.592 125.495 119.914 -0.017 0.000 2.540 207 V HA 0.535 4.655 4.120 -0.000 0.000 0.302 207 V C -0.446 175.629 176.094 -0.030 0.000 1.035 207 V CA -0.549 61.733 62.300 -0.030 0.000 0.873 207 V CB 2.208 34.025 31.823 -0.012 0.000 0.992 207 V HN 0.583 nan 8.190 nan 0.000 0.428 208 V N 3.614 123.509 119.914 -0.031 0.000 2.483 208 V HA 0.658 4.778 4.120 -0.000 0.000 0.297 208 V C 0.706 176.791 176.094 -0.014 0.000 1.027 208 V CA -0.417 61.869 62.300 -0.024 0.000 0.855 208 V CB 1.698 33.506 31.823 -0.026 0.000 0.995 208 V HN 0.963 nan 8.190 nan 0.000 0.424 209 G N 2.044 110.838 108.800 -0.011 0.000 2.606 209 G HA2 0.292 4.252 3.960 -0.000 0.000 0.252 209 G HA3 0.292 4.252 3.960 -0.000 0.000 0.252 209 G C -0.224 174.676 174.900 0.000 0.000 1.206 209 G CA -0.254 44.843 45.100 -0.005 0.000 0.861 209 G HN 0.721 nan 8.290 nan 0.000 0.561 210 D N -0.428 119.974 120.400 0.005 0.000 2.658 210 D HA 0.275 4.915 4.640 -0.000 0.000 0.230 210 D C 1.571 177.873 176.300 0.003 0.000 1.118 210 D CA 1.964 55.968 54.000 0.007 0.000 0.848 210 D CB 0.261 41.066 40.800 0.008 0.000 1.160 210 D HN 1.025 nan 8.370 nan 0.000 0.497 211 G N 2.374 111.175 108.800 0.002 0.000 2.179 211 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.260 211 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.260 211 G C 0.332 175.232 174.900 -0.000 0.000 0.977 211 G CA 0.450 45.551 45.100 0.001 0.000 0.641 211 G HN 0.607 nan 8.290 nan 0.000 0.533 212 S N 1.100 116.799 115.700 -0.002 0.000 2.525 212 S HA 0.602 5.071 4.470 -0.000 0.000 0.278 212 S C -0.575 174.021 174.600 -0.006 0.000 1.234 212 S CA -0.546 57.652 58.200 -0.004 0.000 1.058 212 S CB 1.619 64.816 63.200 -0.006 0.000 0.983 212 S HN 0.317 nan 8.310 nan 0.000 0.495 213 D N 1.440 121.837 120.400 -0.006 0.000 2.498 213 D HA 0.451 5.091 4.640 -0.000 0.000 0.247 213 D C -0.895 175.399 176.300 -0.010 0.000 1.070 213 D CA -0.356 53.640 54.000 -0.006 0.000 0.842 213 D CB 1.879 42.677 40.800 -0.003 0.000 1.361 213 D HN 0.186 nan 8.370 nan 0.000 0.484 214 V N 1.542 121.449 119.914 -0.011 0.000 2.357 214 V HA 0.569 4.689 4.120 -0.000 0.000 0.284 214 V C 1.047 177.137 176.094 -0.007 0.000 1.018 214 V CA -0.809 61.482 62.300 -0.015 0.000 0.841 214 V CB 1.400 33.213 31.823 -0.016 0.000 0.991 214 V HN 0.605 nan 8.190 nan 0.000 0.437 215 G N 3.120 111.913 108.800 -0.011 0.000 2.606 215 G HA2 0.443 4.403 3.960 -0.000 0.000 0.252 215 G HA3 0.443 4.403 3.960 -0.000 0.000 0.252 215 G C 0.603 175.505 174.900 0.003 0.000 1.206 215 G CA -0.004 45.093 45.100 -0.004 0.000 0.861 215 G HN 1.072 nan 8.290 nan 0.000 0.561 216 G N -1.278 107.529 108.800 0.011 0.000 2.225 216 G HA2 0.495 4.455 3.960 -0.000 0.000 0.245 216 G HA3 0.495 4.455 3.960 -0.000 0.000 0.245 216 G C 1.306 176.216 174.900 0.016 0.000 1.249 216 G CA 0.746 45.858 45.100 0.019 0.000 0.919 216 G HN 1.999 nan 8.290 nan 0.000 0.486 217 G N 1.042 109.857 108.800 0.024 0.000 2.189 217 G HA2 0.090 4.050 3.960 -0.000 0.000 0.267 217 G HA3 0.090 4.050 3.960 -0.000 0.000 0.267 217 G C 0.857 175.764 174.900 0.012 0.000 0.975 217 G CA 0.756 45.869 45.100 0.022 0.000 0.644 217 G HN 1.989 nan 8.290 nan 0.000 0.537 218 A N -0.214 122.603 122.820 -0.005 0.000 2.448 218 A HA 0.665 4.985 4.320 -0.000 0.000 0.239 218 A C 0.870 178.435 177.584 -0.032 0.000 1.080 218 A CA 1.263 53.275 52.037 -0.041 0.000 0.779 218 A CB 0.594 19.561 19.000 -0.054 0.000 1.026 218 A HN 1.971 nan 8.150 nan 0.000 0.499 219 S N 1.292 116.941 115.700 -0.084 0.000 2.779 219 S HA 0.569 5.039 4.470 -0.000 0.000 0.293 219 S C -0.896 173.658 174.600 -0.077 0.000 1.150 219 S CA -0.599 57.585 58.200 -0.026 0.000 1.057 219 S CB 0.119 63.370 63.200 0.084 0.000 1.021 219 S HN 0.523 nan 8.310 nan 0.000 0.485 220 I N 5.640 126.193 120.570 -0.029 0.000 2.307 220 I HA 0.408 4.578 4.170 -0.000 0.000 0.289 220 I C 0.588 176.704 176.117 -0.003 0.000 1.021 220 I CA -0.434 60.838 61.300 -0.046 0.000 1.224 220 I CB 1.117 39.089 38.000 -0.047 0.000 1.376 220 I HN 0.875 nan 8.210 nan 0.000 0.470 232 I N 3.548 124.100 120.570 -0.030 0.000 2.498 232 I HA 0.848 5.018 4.170 -0.000 0.000 0.301 232 I C 0.441 176.538 176.117 -0.033 0.000 0.984 232 I CA 0.031 61.310 61.300 -0.036 0.000 1.204 232 I CB 2.210 40.188 38.000 -0.035 0.000 1.362 232 I HN 1.157 nan 8.210 nan 0.000 0.471 233 S N 6.517 122.194 115.700 -0.038 0.000 2.618 233 S HA 0.690 5.160 4.470 -0.000 0.000 0.277 233 S C -1.201 173.380 174.600 -0.031 0.000 1.138 233 S CA -0.803 57.377 58.200 -0.033 0.000 0.844 233 S CB 2.351 65.528 63.200 -0.038 0.000 1.127 233 S HN 0.327 nan 8.310 nan 0.000 0.474 234 I N 1.908 122.463 120.570 -0.026 0.000 2.533 234 I HA 0.500 4.670 4.170 -0.000 0.000 0.290 234 I C 1.181 177.290 176.117 -0.013 0.000 1.056 234 I CA -0.318 60.970 61.300 -0.020 0.000 1.057 234 I CB 1.170 39.156 38.000 -0.024 0.000 1.240 234 I HN 1.036 nan 8.210 nan 0.000 0.423 235 G N 6.116 114.912 108.800 -0.006 0.000 2.481 235 G HA2 0.228 4.188 3.960 -0.000 0.000 0.251 235 G HA3 0.228 4.188 3.960 -0.000 0.000 0.251 235 G C 0.033 174.931 174.900 -0.002 0.000 1.492 235 G CA -0.420 44.677 45.100 -0.004 0.000 1.060 235 G HN 0.573 nan 8.290 nan 0.000 0.553 236 K N -0.545 119.855 120.400 -0.000 0.000 2.098 236 K HA 0.449 4.769 4.320 -0.000 0.000 0.257 236 K C 0.180 176.782 176.600 0.003 0.000 0.999 236 K CA -0.513 55.774 56.287 0.001 0.000 0.924 236 K CB 1.037 33.538 32.500 0.001 0.000 1.028 236 K HN 0.475 nan 8.250 nan 0.000 0.466 237 R N -1.043 119.458 120.500 0.002 0.000 3.641 237 R HA -0.197 4.143 4.340 -0.000 0.000 0.286 237 R C -0.578 175.725 176.300 0.005 0.000 1.153 237 R CA 0.185 56.286 56.100 0.003 0.000 0.775 237 R CB -2.713 27.588 30.300 0.003 0.000 1.215 237 R HN 0.559 nan 8.270 nan 0.000 0.474 238 C N 0.177 119.480 119.300 0.005 0.000 2.443 238 C HA 0.650 5.110 4.460 -0.000 0.000 0.369 238 C C 0.578 175.571 174.990 0.005 0.000 1.241 238 C CA -0.622 58.402 59.018 0.009 0.000 2.413 238 C CB 0.928 28.672 27.740 0.008 0.000 2.451 238 C HN 0.409 nan 8.230 nan 0.000 0.595 239 L N 2.464 123.693 121.223 0.010 0.000 2.439 239 L HA 0.632 4.972 4.340 -0.000 0.000 0.270 239 L C -1.204 175.667 176.870 0.002 0.000 0.972 239 L CA -0.009 54.834 54.840 0.005 0.000 0.836 239 L CB 0.949 43.012 42.059 0.007 0.000 1.255 239 L HN 0.574 nan 8.230 nan 0.000 0.404 240 L N 5.143 126.359 121.223 -0.012 0.000 2.298 240 L HA 0.623 4.963 4.340 -0.000 0.000 0.284 240 L C 0.913 177.768 176.870 -0.024 0.000 1.013 240 L CA -0.802 54.021 54.840 -0.028 0.000 0.824 240 L CB 1.507 43.534 42.059 -0.054 0.000 1.221 240 L HN 0.749 nan 8.230 nan 0.000 0.418 241 G N 2.049 110.837 108.800 -0.020 0.000 2.630 241 G HA2 0.325 4.285 3.960 -0.000 0.000 0.236 241 G HA3 0.325 4.285 3.960 -0.000 0.000 0.236 241 G C 0.375 175.264 174.900 -0.019 0.000 1.248 241 G CA -0.151 44.941 45.100 -0.013 0.000 0.844 241 G HN 0.809 nan 8.290 nan 0.000 0.588 242 A N 1.312 124.127 122.820 -0.008 0.000 2.540 242 A HA 0.342 4.662 4.320 -0.000 0.000 0.239 242 A C 1.197 178.777 177.584 -0.006 0.000 1.061 242 A CA 0.534 52.569 52.037 -0.005 0.000 0.758 242 A CB -0.171 18.830 19.000 0.002 0.000 0.991 242 A HN 1.190 nan 8.150 nan 0.000 0.502 243 N N -0.617 118.080 118.700 -0.005 0.000 2.800 243 N HA -0.177 4.563 4.740 -0.000 0.000 0.250 243 N C 0.368 175.869 175.510 -0.014 0.000 1.078 243 N CA 1.387 54.440 53.050 0.005 0.000 0.804 243 N CB -2.079 36.419 38.487 0.018 0.000 1.135 243 N HN 1.117 nan 8.380 nan 0.000 0.565 244 S N -1.258 114.404 115.700 -0.063 0.000 2.661 244 S HA 0.769 5.239 4.470 -0.000 0.000 0.265 244 S C 0.730 175.126 174.600 -0.340 0.000 1.225 244 S CA 0.064 58.178 58.200 -0.143 0.000 0.986 244 S CB 2.224 65.344 63.200 -0.133 0.000 1.008 244 S HN 0.502 nan 8.310 nan 0.000 0.565 245 G N -0.644 107.735 108.800 -0.702 0.000 2.719 245 G HA2 0.567 4.527 3.960 -0.000 0.000 0.298 245 G HA3 0.567 4.527 3.960 -0.000 0.000 0.298 245 G C -2.062 172.200 174.900 -1.063 0.000 1.411 245 G CA -0.649 43.510 45.100 -1.568 0.000 0.991 245 G HN 0.715 nan 8.290 nan 0.000 0.509 246 L N 1.889 122.720 121.223 -0.653 0.000 2.381 246 L HA 0.803 5.143 4.340 -0.000 0.000 0.274 246 L C 0.690 177.476 176.870 -0.140 0.000 0.988 246 L CA -0.329 54.313 54.840 -0.329 0.000 0.824 246 L CB 2.125 44.039 42.059 -0.242 0.000 1.263 246 L HN 0.682 nan 8.230 nan 0.000 0.410 247 G N 5.561 114.317 108.800 -0.073 0.000 3.735 247 G HA2 0.380 4.340 3.960 -0.000 0.000 0.283 247 G HA3 0.380 4.340 3.960 -0.000 0.000 0.283 247 G C -0.147 174.727 174.900 -0.044 0.000 1.007 247 G CA 0.275 45.375 45.100 0.001 0.000 0.821 247 G HN 0.630 nan 8.290 nan 0.000 0.505 248 I N -3.551 116.964 120.570 -0.091 0.000 2.994 248 I HA 0.695 4.865 4.170 -0.000 0.000 0.306 248 I C -0.591 175.481 176.117 -0.076 0.000 1.195 248 I CA -1.020 60.233 61.300 -0.078 0.000 1.001 248 I CB 2.020 39.967 38.000 -0.090 0.000 1.244 248 I HN -0.221 nan 8.210 nan 0.000 0.437 249 S N 3.966 119.638 115.700 -0.047 0.000 2.564 249 S HA 0.546 5.016 4.470 -0.000 0.000 0.278 249 S C -0.233 174.356 174.600 -0.019 0.000 1.333 249 S CA -0.459 57.720 58.200 -0.036 0.000 1.048 249 S CB 0.523 63.706 63.200 -0.028 0.000 0.900 249 S HN 0.377 nan 8.310 nan 0.000 0.505 250 L N 2.315 123.530 121.223 -0.013 0.000 2.334 250 L HA 0.543 4.883 4.340 -0.000 0.000 0.276 250 L C 1.240 178.120 176.870 0.018 0.000 1.014 250 L CA -0.734 54.119 54.840 0.022 0.000 0.815 250 L CB 1.342 43.416 42.059 0.024 0.000 1.268 250 L HN 0.806 nan 8.230 nan 0.000 0.428 251 G N 1.256 110.074 108.800 0.030 0.000 2.935 251 G HA2 0.075 4.035 3.960 -0.000 0.000 0.157 251 G HA3 0.075 4.035 3.960 -0.000 0.000 0.157 251 G C -0.444 174.465 174.900 0.015 0.000 1.712 251 G CA -0.272 44.838 45.100 0.017 0.000 1.071 251 G HN 0.544 nan 8.290 nan 0.000 0.539 252 D N 0.496 120.903 120.400 0.012 0.000 2.229 252 D HA 0.286 4.926 4.640 -0.000 0.000 0.249 252 D C -0.220 176.087 176.300 0.013 0.000 1.027 252 D CA -0.151 53.855 54.000 0.010 0.000 0.923 252 D CB 1.070 41.872 40.800 0.004 0.000 1.174 252 D HN 0.413 nan 8.370 nan 0.000 0.443 253 D N -0.047 120.360 120.400 0.011 0.000 2.723 253 D HA -0.173 4.467 4.640 -0.000 0.000 0.236 253 D C -0.422 175.889 176.300 0.018 0.000 1.138 253 D CA 0.533 54.539 54.000 0.010 0.000 0.676 253 D CB -1.331 39.471 40.800 0.003 0.000 1.069 253 D HN 0.243 nan 8.370 nan 0.000 0.430 254 C N 0.128 119.448 119.300 0.034 0.000 2.364 254 C HA 0.659 5.119 4.460 -0.000 0.000 0.356 254 C C 0.747 175.777 174.990 0.068 0.000 1.201 254 C CA -0.555 58.503 59.018 0.066 0.000 2.227 254 C CB 1.948 29.753 27.740 0.109 0.000 2.387 254 C HN 0.165 nan 8.230 nan 0.000 0.546 255 V N 2.789 122.761 119.914 0.097 0.000 2.686 255 V HA 0.465 4.584 4.120 -0.000 0.000 0.306 255 V C -0.655 175.532 176.094 0.154 0.000 1.065 255 V CA -0.415 61.936 62.300 0.085 0.000 0.894 255 V CB 1.869 33.719 31.823 0.045 0.000 1.004 255 V HN 0.658 nan 8.190 nan 0.000 0.424 256 V N 4.565 124.538 119.914 0.099 0.000 2.357 256 V HA 0.356 4.476 4.120 -0.000 0.000 0.284 256 V C 0.321 176.441 176.094 0.043 0.000 1.018 256 V CA -0.651 61.703 62.300 0.090 0.000 0.841 256 V CB 1.576 33.386 31.823 -0.022 0.000 0.991 256 V HN 1.054 nan 8.190 nan 0.000 0.437 257 E N 4.783 125.019 120.200 0.061 0.000 2.404 257 E HA 0.467 4.817 4.350 -0.000 0.000 0.261 257 E C 0.310 176.917 176.600 0.013 0.000 1.074 257 E CA -0.348 56.073 56.400 0.034 0.000 0.917 257 E CB 1.047 30.771 29.700 0.039 0.000 0.965 257 E HN 0.786 nan 8.360 nan 0.000 0.433 258 A N 2.318 125.143 122.820 0.008 0.000 2.567 258 A HA 0.347 4.667 4.320 -0.000 0.000 0.240 258 A C 1.324 178.912 177.584 0.008 0.000 1.053 258 A CA 0.600 52.638 52.037 0.003 0.000 0.755 258 A CB -0.959 18.044 19.000 0.005 0.000 0.978 258 A HN 1.380 nan 8.150 nan 0.000 0.507 259 G N 0.495 109.298 108.800 0.005 0.000 2.176 259 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.253 259 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.253 259 G C -0.020 174.900 174.900 0.033 0.000 0.979 259 G CA 0.435 45.547 45.100 0.021 0.000 0.641 259 G HN 1.779 nan 8.290 nan 0.000 0.530 260 L N 0.691 121.923 121.223 0.015 0.000 2.272 260 L HA 0.779 5.119 4.340 -0.000 0.000 0.289 260 L C -0.445 176.420 176.870 -0.009 0.000 1.032 260 L CA -1.915 52.942 54.840 0.029 0.000 0.810 260 L CB 0.903 42.981 42.059 0.033 0.000 1.205 260 L HN 0.162 nan 8.230 nan 0.000 0.422 261 Y N 4.683 124.969 120.300 -0.023 0.000 2.404 261 Y HA 0.502 5.052 4.550 -0.000 0.000 0.344 261 Y C -0.386 175.474 175.900 -0.067 0.000 0.970 261 Y CA -0.448 57.625 58.100 -0.045 0.000 1.180 261 Y CB 1.212 39.651 38.460 -0.035 0.000 1.138 261 Y HN 0.398 nan 8.280 nan 0.000 0.510 262 V N 6.076 125.966 119.914 -0.042 0.000 2.318 262 V HA 0.199 4.319 4.120 -0.000 0.000 0.271 262 V C 0.200 176.311 176.094 0.028 0.000 1.030 262 V CA -0.587 61.672 62.300 -0.067 0.000 0.844 262 V CB 0.824 32.425 31.823 -0.371 0.000 1.015 262 V HN 0.859 nan 8.190 nan 0.000 0.460 263 T N 2.106 116.718 114.554 0.097 0.000 2.902 263 T HA 0.575 4.925 4.350 -0.000 0.000 0.280 263 T C 1.432 176.137 174.700 0.009 0.000 0.992 263 T CA 0.025 62.172 62.100 0.078 0.000 1.015 263 T CB 1.857 70.753 68.868 0.045 0.000 1.044 263 T HN 0.612 nan 8.240 nan 0.000 0.520 264 A N 1.085 123.907 122.820 0.003 0.000 1.986 264 A HA 0.127 4.447 4.320 -0.000 0.000 0.220 264 A C 2.247 179.833 177.584 0.003 0.000 1.171 264 A CA 1.666 53.699 52.037 -0.006 0.000 0.640 264 A CB -1.398 17.599 19.000 -0.006 0.000 0.811 264 A HN 1.119 nan 8.150 nan 0.000 0.451 265 G N -1.646 107.157 108.800 0.004 0.000 3.042 265 G HA2 0.263 4.223 3.960 -0.000 0.000 0.212 265 G HA3 0.263 4.223 3.960 -0.000 0.000 0.212 265 G C 0.501 175.409 174.900 0.013 0.000 1.166 265 G CA 0.495 45.599 45.100 0.006 0.000 0.767 265 G HN 0.341 nan 8.290 nan 0.000 0.546 266 T N 1.272 115.837 114.554 0.019 0.000 2.871 266 T HA 0.116 4.466 4.350 -0.000 0.000 0.296 266 T C 0.491 175.217 174.700 0.042 0.000 0.998 266 T CA 0.059 62.177 62.100 0.031 0.000 1.162 266 T CB 0.914 69.805 68.868 0.039 0.000 0.947 266 T HN 0.290 nan 8.240 nan 0.000 0.536 267 R N 3.337 123.861 120.500 0.040 0.000 2.216 267 R HA 0.406 4.746 4.340 -0.000 0.000 0.332 267 R C -0.277 176.059 176.300 0.060 0.000 1.056 267 R CA -0.569 55.557 56.100 0.044 0.000 0.901 267 R CB 0.235 30.553 30.300 0.030 0.000 1.039 267 R HN 0.543 nan 8.270 nan 0.000 0.456 268 V N 1.702 121.664 119.914 0.080 0.000 2.483 268 V HA 0.476 4.596 4.120 -0.000 0.000 0.295 268 V C -0.143 175.985 176.094 0.055 0.000 1.035 268 V CA -0.582 61.776 62.300 0.097 0.000 0.896 268 V CB 1.789 33.723 31.823 0.186 0.000 0.986 268 V HN 0.662 nan 8.190 nan 0.000 0.447 269 T N 8.319 122.896 114.554 0.038 0.000 2.856 269 T HA 0.537 4.887 4.350 -0.000 0.000 0.292 269 T C 0.212 174.908 174.700 -0.006 0.000 0.980 269 T CA -0.321 61.788 62.100 0.015 0.000 1.091 269 T CB 0.823 69.697 68.868 0.011 0.000 0.936 269 T HN 0.888 nan 8.240 nan 0.000 0.503 270 M N 3.002 122.593 119.600 -0.014 0.000 2.679 270 M HA 0.481 4.961 4.480 -0.000 0.000 0.287 270 M C -2.057 174.224 176.300 -0.031 0.000 1.202 270 M CA -2.420 52.859 55.300 -0.034 0.000 0.911 270 M CB 0.025 32.604 32.600 -0.036 0.000 1.556 270 M HN 0.111 nan 8.290 nan 0.000 0.511 271 P HA -0.184 nan 4.420 nan 0.000 0.215 271 P C 0.742 178.028 177.300 -0.023 0.000 1.157 271 P CA 1.720 64.800 63.100 -0.033 0.000 0.868 271 P CB -0.290 31.387 31.700 -0.038 0.000 0.788 272 D N -1.447 118.941 120.400 -0.021 0.000 2.354 272 D HA -0.110 4.530 4.640 -0.000 0.000 0.216 272 D C 0.343 176.637 176.300 -0.011 0.000 0.970 272 D CA 1.323 55.314 54.000 -0.015 0.000 0.905 272 D CB -0.295 40.497 40.800 -0.013 0.000 0.903 272 D HN 0.095 nan 8.370 nan 0.000 0.508 273 S N -1.248 114.445 115.700 -0.011 0.000 2.089 273 S HA -0.196 4.274 4.470 -0.000 0.000 0.251 273 S C 0.301 174.899 174.600 -0.003 0.000 1.211 273 S CA 0.486 58.683 58.200 -0.006 0.000 1.307 273 S CB -1.848 61.349 63.200 -0.005 0.000 1.617 273 S HN 0.485 nan 8.310 nan 0.000 0.596 274 N N 2.314 121.012 118.700 -0.003 0.000 2.371 274 N HA 0.478 5.218 4.740 -0.000 0.000 0.243 274 N C -0.121 175.392 175.510 0.004 0.000 1.287 274 N CA 1.006 54.057 53.050 0.001 0.000 0.911 274 N CB 0.592 39.079 38.487 -0.000 0.000 1.142 274 N HN 0.596 nan 8.380 nan 0.000 0.451 275 S N -0.491 115.214 115.700 0.009 0.000 2.568 275 S HA 0.809 5.279 4.470 -0.000 0.000 0.293 275 S C -0.693 173.918 174.600 0.020 0.000 1.089 275 S CA -0.751 57.459 58.200 0.017 0.000 0.945 275 S CB 1.114 64.326 63.200 0.019 0.000 1.077 275 S HN 0.583 nan 8.310 nan 0.000 0.485 276 V N -1.630 118.302 119.914 0.029 0.000 3.147 276 V HA 0.663 4.782 4.120 -0.000 0.000 0.306 276 V C -1.004 175.116 176.094 0.042 0.000 1.209 276 V CA -1.357 60.961 62.300 0.031 0.000 1.023 276 V CB 1.557 33.399 31.823 0.031 0.000 1.059 276 V HN 0.911 nan 8.190 nan 0.000 0.435 277 K N 1.529 121.951 120.400 0.036 0.000 2.414 277 K HA 0.383 4.703 4.320 -0.000 0.000 0.272 277 K C 1.394 178.028 176.600 0.056 0.000 0.993 277 K CA 0.528 56.838 56.287 0.039 0.000 0.964 277 K CB 1.245 33.761 32.500 0.025 0.000 0.925 277 K HN 1.074 nan 8.250 nan 0.000 0.487 278 A N 3.517 126.374 122.820 0.062 0.000 1.972 278 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 278 A C 2.064 179.681 177.584 0.055 0.000 1.169 278 A CA 1.715 53.803 52.037 0.084 0.000 0.635 278 A CB -0.408 18.607 19.000 0.024 0.000 0.810 278 A HN 0.856 nan 8.150 nan 0.000 0.446 279 R N 0.295 120.811 120.500 0.027 0.000 2.159 279 R HA -0.157 4.183 4.340 -0.000 0.000 0.237 279 R C 1.279 177.594 176.300 0.025 0.000 1.131 279 R CA 1.810 57.919 56.100 0.016 0.000 0.982 279 R CB -0.587 29.717 30.300 0.007 0.000 0.868 279 R HN 0.600 nan 8.270 nan 0.000 0.453 280 E N 0.775 120.996 120.200 0.035 0.000 2.418 280 E HA -0.040 4.310 4.350 -0.000 0.000 0.197 280 E C 1.449 178.075 176.600 0.044 0.000 1.026 280 E CA 0.645 57.065 56.400 0.033 0.000 0.862 280 E CB 0.100 29.817 29.700 0.030 0.000 0.799 280 E HN 0.452 nan 8.360 nan 0.000 0.518 281 L N 0.372 121.638 121.223 0.072 0.000 2.693 281 L HA 0.132 4.472 4.340 -0.000 0.000 0.235 281 L C 0.966 177.895 176.870 0.098 0.000 1.127 281 L CA -0.407 54.493 54.840 0.100 0.000 0.914 281 L CB 0.536 42.703 42.059 0.179 0.000 1.193 281 L HN -0.107 nan 8.230 nan 0.000 0.502 282 S N 0.703 116.440 115.700 0.060 0.000 2.784 282 S HA 0.128 4.598 4.470 -0.000 0.000 0.322 282 S C 1.415 176.033 174.600 0.030 0.000 1.234 282 S CA 1.091 59.310 58.200 0.032 0.000 1.064 282 S CB 0.078 63.282 63.200 0.007 0.000 0.787 282 S HN 0.699 nan 8.310 nan 0.000 0.506 283 G N 3.639 112.457 108.800 0.030 0.000 2.199 283 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.254 283 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.254 283 G C 0.364 175.282 174.900 0.029 0.000 0.982 283 G CA 0.268 45.379 45.100 0.019 0.000 0.632 283 G HN 0.949 nan 8.290 nan 0.000 0.529 284 S N 0.232 115.960 115.700 0.047 0.000 2.587 284 S HA 0.585 5.055 4.470 -0.000 0.000 0.260 284 S C 0.665 175.288 174.600 0.039 0.000 1.353 284 S CA 0.565 58.788 58.200 0.039 0.000 0.995 284 S CB 1.264 64.488 63.200 0.040 0.000 0.912 284 S HN 0.651 nan 8.310 nan 0.000 0.568 285 S N 0.639 116.351 115.700 0.019 0.000 2.648 285 S HA 0.451 4.921 4.470 -0.000 0.000 0.305 285 S C -0.034 174.565 174.600 -0.000 0.000 1.094 285 S CA -1.115 57.093 58.200 0.014 0.000 0.983 285 S CB 0.989 64.192 63.200 0.006 0.000 1.101 285 S HN 0.790 nan 8.310 nan 0.000 0.514 286 N N -0.009 118.690 118.700 -0.002 0.000 2.740 286 N HA -0.157 4.583 4.740 -0.000 0.000 0.248 286 N C -1.148 174.333 175.510 -0.048 0.000 1.062 286 N CA 0.228 53.267 53.050 -0.019 0.000 0.704 286 N CB -1.445 37.029 38.487 -0.022 0.000 0.968 286 N HN 0.401 nan 8.380 nan 0.000 0.547 287 L N 0.529 121.723 121.223 -0.048 0.000 2.309 287 L HA 0.562 4.902 4.340 -0.000 0.000 0.282 287 L C 0.092 176.870 176.870 -0.153 0.000 1.036 287 L CA -0.832 53.910 54.840 -0.163 0.000 0.806 287 L CB 1.500 43.436 42.059 -0.205 0.000 1.220 287 L HN 0.175 nan 8.230 nan 0.000 0.429 288 L N 3.168 124.247 121.223 -0.241 0.000 2.305 288 L HA 0.516 4.856 4.340 -0.000 0.000 0.284 288 L C -1.112 175.579 176.870 -0.297 0.000 1.013 288 L CA -0.146 54.605 54.840 -0.148 0.000 0.819 288 L CB 0.979 42.991 42.059 -0.078 0.000 1.227 288 L HN 0.285 nan 8.230 nan 0.000 0.417 289 F N 5.028 124.969 119.950 -0.014 0.000 2.408 289 F HA 0.633 5.160 4.527 -0.000 0.000 0.344 289 F C 0.411 176.204 175.800 -0.011 0.000 1.112 289 F CA -0.314 57.679 58.000 -0.012 0.000 1.096 289 F CB 1.163 40.154 39.000 -0.016 0.000 1.129 289 F HN 0.475 nan 8.300 nan 0.000 0.486 290 R N 1.542 122.129 120.500 0.144 0.000 2.734 290 R HA 0.604 4.944 4.340 -0.000 0.000 0.271 290 R C -1.523 174.825 176.300 0.080 0.000 1.021 290 R CA -1.280 54.876 56.100 0.094 0.000 0.893 290 R CB 1.670 31.998 30.300 0.046 0.000 1.244 290 R HN 0.612 nan 8.270 nan 0.000 0.464 291 R N 1.702 122.238 120.500 0.061 0.000 2.207 291 R HA 0.147 4.487 4.340 -0.000 0.000 0.334 291 R C -0.547 175.772 176.300 0.032 0.000 1.013 291 R CA -0.554 55.575 56.100 0.048 0.000 0.858 291 R CB 0.793 31.120 30.300 0.045 0.000 1.094 291 R HN 0.645 nan 8.270 nan 0.000 0.457 292 N N 2.107 120.822 118.700 0.027 0.000 2.411 292 N HA -0.105 4.635 4.740 -0.000 0.000 0.265 292 N C 0.606 176.126 175.510 0.016 0.000 1.266 292 N CA 0.553 53.613 53.050 0.017 0.000 0.889 292 N CB 0.997 39.492 38.487 0.013 0.000 1.069 292 N HN 0.740 nan 8.380 nan 0.000 0.476 293 S N 2.231 117.939 115.700 0.013 0.000 2.607 293 S HA -0.004 4.466 4.470 -0.000 0.000 0.224 293 S C 1.421 176.027 174.600 0.010 0.000 0.969 293 S CA 0.280 58.488 58.200 0.012 0.000 0.927 293 S CB 0.223 63.429 63.200 0.011 0.000 0.772 293 S HN 0.348 nan 8.310 nan 0.000 0.533 294 V N 1.617 121.536 119.914 0.009 0.000 2.743 294 V HA 0.089 4.209 4.120 -0.000 0.000 0.237 294 V C 2.676 178.775 176.094 0.007 0.000 1.113 294 V CA 1.129 63.433 62.300 0.007 0.000 1.141 294 V CB -0.290 31.535 31.823 0.005 0.000 0.873 294 V HN 0.693 nan 8.190 nan 0.000 0.486 295 S N 0.403 116.108 115.700 0.008 0.000 2.528 295 S HA 0.197 4.667 4.470 -0.000 0.000 0.219 295 S C 1.805 176.412 174.600 0.011 0.000 0.985 295 S CA 0.906 59.111 58.200 0.009 0.000 0.914 295 S CB 0.380 63.584 63.200 0.008 0.000 0.776 295 S HN 1.198 nan 8.310 nan 0.000 0.526 296 G N 1.215 110.024 108.800 0.014 0.000 2.196 296 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.268 296 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.268 296 G C 0.332 175.246 174.900 0.023 0.000 0.975 296 G CA 0.174 45.285 45.100 0.018 0.000 0.648 296 G HN 1.395 nan 8.290 nan 0.000 0.538 297 A N 0.068 122.901 122.820 0.022 0.000 2.477 297 A HA 0.593 4.913 4.320 -0.000 0.000 0.246 297 A C 0.774 178.380 177.584 0.038 0.000 1.078 297 A CA 0.337 52.390 52.037 0.026 0.000 0.770 297 A CB 0.750 19.762 19.000 0.020 0.000 1.011 297 A HN 1.154 nan 8.150 nan 0.000 0.494 298 V N 3.701 123.646 119.914 0.051 0.000 2.479 298 V HA 0.133 4.253 4.120 -0.000 0.000 0.281 298 V C 0.446 176.587 176.094 0.078 0.000 1.031 298 V CA 0.470 62.817 62.300 0.078 0.000 1.038 298 V CB 0.035 31.916 31.823 0.096 0.000 0.981 298 V HN 0.954 nan 8.190 nan 0.000 0.478 299 E N 2.815 123.058 120.200 0.073 0.000 2.256 299 E HA 0.645 4.995 4.350 -0.000 0.000 0.267 299 E C -1.292 175.293 176.600 -0.025 0.000 0.892 299 E CA -0.643 55.771 56.400 0.023 0.000 0.775 299 E CB 2.849 32.547 29.700 -0.002 0.000 1.207 299 E HN 0.456 nan 8.360 nan 0.000 0.420 300 V N 4.129 123.971 119.914 -0.121 0.000 2.555 300 V HA 0.508 4.628 4.120 -0.000 0.000 0.302 300 V C -1.571 174.369 176.094 -0.256 0.000 1.038 300 V CA -0.521 61.559 62.300 -0.367 0.000 0.887 300 V CB 1.057 32.551 31.823 -0.549 0.000 0.991 300 V HN 0.448 nan 8.190 nan 0.000 0.434 301 L N 5.512 126.568 121.223 -0.277 0.000 2.341 301 L HA 0.819 5.159 4.340 -0.000 0.000 0.267 301 L C 0.277 177.043 176.870 -0.173 0.000 1.009 301 L CA -0.463 54.274 54.840 -0.172 0.000 0.819 301 L CB 1.764 43.754 42.059 -0.115 0.000 1.323 301 L HN 0.722 nan 8.230 nan 0.000 0.425 302 A N 2.133 124.884 122.820 -0.115 0.000 2.415 302 A HA 0.510 4.830 4.320 -0.000 0.000 0.309 302 A C 0.513 178.056 177.584 -0.068 0.000 1.356 302 A CA -0.462 51.522 52.037 -0.090 0.000 0.998 302 A CB -0.406 18.554 19.000 -0.066 0.000 1.145 302 A HN 0.735 nan 8.150 nan 0.000 0.545 303 R N 0.000 120.461 120.500 -0.066 0.000 2.786 303 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 303 R CA 0.000 56.073 56.100 -0.045 0.000 0.921 303 R CB 0.000 30.278 30.300 -0.036 0.000 0.687 303 R HN 0.000 nan 8.270 nan 0.000 0.535