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 2xfp_1_A DATA FIRST_RESID 3 DATA SEQUENCE NKCDVVVVGG GISGMAAAKL LHDSGLNVVV LEARDRVGGR TYTLRNQKVK DATA SEQUENCE YVDLGGSYVG PTQNRILRLA KELGLETYKV NEVERLIHHV KGKSYPFRGP DATA SEQUENCE FPPVWNPITY LDHNNFWRTM DDMGREIPSD APWKAPLAEE WDNMTMKELL DATA SEQUENCE DKLCWTESAK QLATLFVNLC VTAETHEVSA LWFLWYVKQC GGTTRIISTT DATA SEQUENCE NGGQERKFVG GSGQVSERIM DLLGDRVKLE RPVIYIDQTR ENVLVETLNH DATA SEQUENCE EMYEAKYVIS AIPPTLGMKI HFNPPLPMMR NQMITRVPLG SVIKCIVYYK DATA SEQUENCE EPFWRKKDYC GTMIIDGEEA PVAYTLDDTK PEGNYAAIMG FILAHKARKL DATA SEQUENCE ARLTKEERLK KLCELYAKVL GSLEALEPVH YEEKNWCEEQ YSGGCYTTYF DATA SEQUENCE PPGILTQYGR VLRQPVDRIY FAGTETATHW SGYMEGAVEA GERAAREILH DATA SEQUENCE AMGKIPEDEI WQSEPESVDV PAQPITTTFL ERHLPSVPGL LRLIGLTTI 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.508 175.510 -0.004 0.000 1.280 3 N CA 0.000 52.985 53.050 -0.108 0.000 0.885 3 N CB 0.000 38.266 38.487 -0.368 0.000 1.341 4 K N 2.007 122.418 120.400 0.018 0.000 2.156 4 K HA 0.578 4.898 4.320 0.000 0.000 0.271 4 K C 0.040 176.677 176.600 0.062 0.000 0.995 4 K CA -0.297 56.011 56.287 0.036 0.000 0.890 4 K CB 1.963 34.471 32.500 0.015 0.000 1.073 4 K HN 0.253 nan 8.250 nan 0.000 0.454 5 C N -1.052 118.290 119.300 0.070 0.000 3.336 5 C HA 0.395 4.855 4.460 0.000 0.000 0.339 5 C C 0.856 175.883 174.990 0.061 0.000 1.468 5 C CA -0.795 58.265 59.018 0.071 0.000 1.287 5 C CB 0.930 28.725 27.740 0.092 0.000 1.682 5 C HN 0.783 nan 8.230 nan 0.000 0.451 6 D N 0.254 120.694 120.400 0.066 0.000 2.120 6 D HA 0.116 4.756 4.640 0.000 0.000 0.202 6 D C 0.355 176.723 176.300 0.113 0.000 0.972 6 D CA 1.712 55.761 54.000 0.083 0.000 0.837 6 D CB 0.218 41.065 40.800 0.079 0.000 0.989 6 D HN 0.483 nan 8.370 nan 0.000 0.469 7 V N 1.203 121.173 119.914 0.093 0.000 2.733 7 V HA 0.245 4.365 4.120 0.000 0.000 0.306 7 V C -0.243 175.884 176.094 0.056 0.000 1.084 7 V CA -0.827 61.530 62.300 0.096 0.000 0.905 7 V CB 2.886 34.755 31.823 0.076 0.000 1.010 7 V HN -0.256 nan 8.190 nan 0.000 0.424 8 V N 5.164 125.106 119.914 0.047 0.000 2.439 8 V HA 0.464 4.584 4.120 0.000 0.000 0.282 8 V C -0.137 175.952 176.094 -0.009 0.000 1.039 8 V CA -0.424 61.875 62.300 -0.003 0.000 0.913 8 V CB 1.983 33.800 31.823 -0.010 0.000 0.983 8 V HN 0.631 nan 8.190 nan 0.000 0.460 9 V N 6.054 125.947 119.914 -0.035 0.000 2.370 9 V HA 0.369 4.489 4.120 0.000 0.000 0.283 9 V C -0.095 175.971 176.094 -0.047 0.000 1.023 9 V CA -0.557 61.727 62.300 -0.027 0.000 0.857 9 V CB 1.846 33.655 31.823 -0.023 0.000 0.985 9 V HN 0.589 nan 8.190 nan 0.000 0.443 10 V N 4.568 124.467 119.914 -0.025 0.000 2.348 10 V HA 0.841 4.961 4.120 0.000 0.000 0.270 10 V C 0.596 176.690 176.094 -0.000 0.000 1.037 10 V CA 0.381 62.665 62.300 -0.026 0.000 0.872 10 V CB 0.606 32.431 31.823 0.004 0.000 1.002 10 V HN 1.269 nan 8.190 nan 0.000 0.464 11 G N 3.649 112.436 108.800 -0.023 0.000 3.233 11 G HA2 0.199 4.159 3.960 0.000 0.000 0.686 11 G HA3 0.199 4.159 3.960 0.000 0.000 0.686 11 G C 0.067 174.963 174.900 -0.005 0.000 1.153 11 G CA -0.473 44.626 45.100 -0.002 0.000 0.853 11 G HN 1.235 nan 8.290 nan 0.000 0.582 12 G N 0.811 109.605 108.800 -0.009 0.000 4.291 12 G HA2 0.694 4.654 3.960 0.000 0.000 0.304 12 G HA3 0.694 4.654 3.960 0.000 0.000 0.304 12 G C 0.866 175.777 174.900 0.018 0.000 1.264 12 G CA 0.934 46.029 45.100 -0.007 0.000 1.039 12 G HN 1.315 nan 8.290 nan 0.000 0.578 13 G N -0.097 108.726 108.800 0.038 0.000 2.553 13 G HA2 0.337 4.297 3.960 0.000 0.000 0.278 13 G HA3 0.337 4.297 3.960 0.000 0.000 0.278 13 G C 1.185 176.109 174.900 0.039 0.000 1.349 13 G CA -0.730 44.402 45.100 0.054 0.000 1.037 13 G HN 0.146 nan 8.290 nan 0.000 0.508 14 I N -0.607 119.988 120.570 0.042 0.000 2.208 14 I HA -0.212 3.958 4.170 0.000 0.000 0.245 14 I C 3.014 179.151 176.117 0.033 0.000 1.097 14 I CA 1.629 62.946 61.300 0.028 0.000 1.363 14 I CB -0.061 37.960 38.000 0.034 0.000 1.051 14 I HN 0.471 nan 8.210 nan 0.000 0.413 15 S N 0.425 116.158 115.700 0.055 0.000 2.368 15 S HA -0.108 4.362 4.470 0.000 0.000 0.224 15 S C 2.098 176.723 174.600 0.041 0.000 1.029 15 S CA 1.512 59.748 58.200 0.060 0.000 0.988 15 S CB -0.529 62.726 63.200 0.092 0.000 0.838 15 S HN 0.570 nan 8.310 nan 0.000 0.462 16 G N 1.506 110.329 108.800 0.039 0.000 2.422 16 G HA2 -0.153 3.807 3.960 0.000 0.000 0.218 16 G HA3 -0.153 3.807 3.960 0.000 0.000 0.218 16 G C 1.446 176.347 174.900 0.001 0.000 1.146 16 G CA 0.911 46.023 45.100 0.020 0.000 0.769 16 G HN 0.403 nan 8.290 nan 0.000 0.547 17 M N 1.214 120.814 119.600 -0.002 0.000 2.132 17 M HA 0.093 4.573 4.480 0.000 0.000 0.263 17 M C 2.996 179.286 176.300 -0.016 0.000 1.065 17 M CA 1.234 56.523 55.300 -0.017 0.000 1.122 17 M CB -1.325 31.261 32.600 -0.023 0.000 1.365 17 M HN 0.304 nan 8.290 nan 0.000 0.411 18 A N 0.346 123.162 122.820 -0.006 0.000 1.902 18 A HA 0.033 4.353 4.320 0.000 0.000 0.217 18 A C 2.469 180.049 177.584 -0.008 0.000 1.181 18 A CA 2.062 54.095 52.037 -0.006 0.000 0.623 18 A CB -0.873 18.128 19.000 0.002 0.000 0.818 18 A HN 0.466 nan 8.150 nan 0.000 0.443 19 A N -0.048 122.769 122.820 -0.006 0.000 1.877 19 A HA 0.165 4.485 4.320 0.000 0.000 0.216 19 A C 2.534 180.111 177.584 -0.012 0.000 1.186 19 A CA 2.138 54.166 52.037 -0.016 0.000 0.620 19 A CB -1.119 17.873 19.000 -0.013 0.000 0.822 19 A HN 1.073 nan 8.150 nan 0.000 0.443 20 A N -0.168 122.647 122.820 -0.008 0.000 1.908 20 A HA -0.202 4.118 4.320 0.000 0.000 0.218 20 A C 2.140 179.736 177.584 0.020 0.000 1.181 20 A CA 2.162 54.198 52.037 -0.002 0.000 0.627 20 A CB -0.489 18.497 19.000 -0.022 0.000 0.818 20 A HN 0.589 nan 8.150 nan 0.000 0.445 21 K N -0.477 119.925 120.400 0.004 0.000 2.057 21 K HA -0.086 4.234 4.320 0.000 0.000 0.207 21 K C 1.985 178.621 176.600 0.059 0.000 1.049 21 K CA 1.479 57.782 56.287 0.026 0.000 0.931 21 K CB -0.312 32.187 32.500 -0.001 0.000 0.714 21 K HN 0.447 nan 8.250 nan 0.000 0.440 22 L N 1.046 122.281 121.223 0.021 0.000 2.017 22 L HA -0.176 4.164 4.340 0.000 0.000 0.208 22 L C 2.179 179.054 176.870 0.009 0.000 1.073 22 L CA 1.201 56.045 54.840 0.007 0.000 0.745 22 L CB -0.154 41.893 42.059 -0.020 0.000 0.894 22 L HN 0.264 nan 8.230 nan 0.000 0.432 23 L N -1.063 120.166 121.223 0.010 0.000 2.046 23 L HA -0.274 4.066 4.340 0.000 0.000 0.208 23 L C 2.590 179.482 176.870 0.036 0.000 1.077 23 L CA 1.529 56.371 54.840 0.003 0.000 0.747 23 L CB -0.760 41.300 42.059 0.002 0.000 0.896 23 L HN 0.425 nan 8.230 nan 0.000 0.432 24 H N 0.215 119.271 119.070 -0.023 0.000 2.321 24 H HA -0.202 4.354 4.556 0.000 0.000 0.300 24 H C 1.823 177.141 175.328 -0.016 0.000 1.087 24 H CA 2.060 58.098 56.048 -0.016 0.000 1.319 24 H CB 0.049 29.802 29.762 -0.015 0.000 1.379 24 H HN 0.219 nan 8.280 nan 0.000 0.501 25 D N -0.453 119.960 120.400 0.021 0.000 2.178 25 D HA -0.102 4.538 4.640 0.000 0.000 0.201 25 D C 1.822 178.079 176.300 -0.071 0.000 0.980 25 D CA 1.341 55.320 54.000 -0.036 0.000 0.842 25 D CB -0.253 40.560 40.800 0.023 0.000 0.948 25 D HN 0.346 nan 8.370 nan 0.000 0.472 26 S N -1.025 114.641 115.700 -0.057 0.000 2.603 26 S HA 0.261 4.731 4.470 0.000 0.000 0.220 26 S C 1.586 176.143 174.600 -0.072 0.000 0.967 26 S CA 0.552 58.719 58.200 -0.055 0.000 0.920 26 S CB 0.546 63.719 63.200 -0.045 0.000 0.773 26 S HN 0.450 nan 8.310 nan 0.000 0.529 27 G N 0.995 109.726 108.800 -0.114 0.000 2.157 27 G HA2 -0.205 3.755 3.960 0.000 0.000 0.239 27 G HA3 -0.205 3.755 3.960 0.000 0.000 0.239 27 G C -0.003 174.848 174.900 -0.082 0.000 0.982 27 G CA -0.243 44.788 45.100 -0.116 0.000 0.650 27 G HN 0.436 nan 8.290 nan 0.000 0.527 28 L N 0.274 121.463 121.223 -0.057 0.000 2.421 28 L HA 0.451 4.791 4.340 0.000 0.000 0.263 28 L C 0.147 177.025 176.870 0.013 0.000 1.122 28 L CA -1.030 53.803 54.840 -0.013 0.000 0.804 28 L CB 0.583 42.643 42.059 0.002 0.000 1.150 28 L HN -0.018 nan 8.230 nan 0.000 0.457 29 N N 1.636 120.358 118.700 0.037 0.000 2.439 29 N HA 0.322 5.062 4.740 0.000 0.000 0.249 29 N C -0.750 174.803 175.510 0.073 0.000 1.003 29 N CA -0.130 52.958 53.050 0.064 0.000 0.942 29 N CB 1.635 40.153 38.487 0.052 0.000 1.115 29 N HN 0.364 nan 8.380 nan 0.000 0.505 30 V N 0.124 120.092 119.914 0.090 0.000 2.815 30 V HA 0.753 4.873 4.120 0.000 0.000 0.314 30 V C -0.076 176.042 176.094 0.041 0.000 1.064 30 V CA -0.704 61.633 62.300 0.061 0.000 0.952 30 V CB 1.976 33.832 31.823 0.054 0.000 1.020 30 V HN 0.140 nan 8.190 nan 0.000 0.439 31 V N 3.204 123.124 119.914 0.009 0.000 2.735 31 V HA 0.571 4.691 4.120 0.000 0.000 0.310 31 V C -0.405 175.635 176.094 -0.091 0.000 1.061 31 V CA -0.548 61.729 62.300 -0.039 0.000 0.913 31 V CB 2.133 33.929 31.823 -0.046 0.000 1.005 31 V HN 0.838 nan 8.190 nan 0.000 0.428 32 V N 5.810 125.660 119.914 -0.107 0.000 2.384 32 V HA 0.466 4.586 4.120 0.000 0.000 0.287 32 V C -0.292 175.702 176.094 -0.165 0.000 1.020 32 V CA -0.455 61.779 62.300 -0.110 0.000 0.850 32 V CB 1.579 33.357 31.823 -0.075 0.000 0.987 32 V HN 0.611 nan 8.190 nan 0.000 0.436 33 L N 4.601 125.710 121.223 -0.190 0.000 2.262 33 L HA 0.595 4.935 4.340 0.000 0.000 0.288 33 L C -0.167 176.614 176.870 -0.149 0.000 1.035 33 L CA -0.376 54.331 54.840 -0.221 0.000 0.820 33 L CB 1.383 43.270 42.059 -0.287 0.000 1.204 33 L HN 0.614 nan 8.230 nan 0.000 0.424 34 E N 2.449 122.568 120.200 -0.136 0.000 2.158 34 E HA 0.480 4.830 4.350 0.000 0.000 0.271 34 E C 0.367 176.858 176.600 -0.182 0.000 0.911 34 E CA -0.334 55.990 56.400 -0.127 0.000 0.767 34 E CB 2.061 31.709 29.700 -0.086 0.000 1.120 34 E HN 0.549 nan 8.360 nan 0.000 0.405 35 A N 5.479 128.128 122.820 -0.285 0.000 1.933 35 A HA -0.048 4.272 4.320 0.000 0.000 0.218 35 A C 1.085 178.442 177.584 -0.379 0.000 1.175 35 A CA 1.008 52.748 52.037 -0.495 0.000 0.628 35 A CB -0.209 18.092 19.000 -1.165 0.000 0.814 35 A HN 0.606 nan 8.150 nan 0.000 0.444 36 R N -0.108 120.247 120.500 -0.242 0.000 2.580 36 R HA 0.235 4.575 4.340 0.000 0.000 0.267 36 R C 0.106 176.362 176.300 -0.073 0.000 1.125 36 R CA 0.140 56.172 56.100 -0.114 0.000 1.188 36 R CB 0.142 30.412 30.300 -0.049 0.000 1.155 36 R HN 0.449 nan 8.270 nan 0.000 0.586 37 D N 0.392 120.768 120.400 -0.041 0.000 2.323 37 D HA -0.038 4.602 4.640 0.000 0.000 0.239 37 D C -0.088 176.208 176.300 -0.007 0.000 1.129 37 D CA 0.107 54.093 54.000 -0.023 0.000 0.865 37 D CB -0.064 40.729 40.800 -0.011 0.000 0.913 37 D HN 0.432 nan 8.370 nan 0.000 0.517 38 R N -1.457 119.040 120.500 -0.006 0.000 2.734 38 R HA 0.560 4.900 4.340 0.000 0.000 0.271 38 R C -0.853 175.460 176.300 0.022 0.000 1.021 38 R CA -1.118 54.996 56.100 0.024 0.000 0.893 38 R CB 1.023 31.359 30.300 0.060 0.000 1.244 38 R HN -0.088 nan 8.270 nan 0.000 0.464 39 V N -1.449 118.485 119.914 0.034 0.000 3.134 39 V HA 0.854 4.974 4.120 0.000 0.000 0.313 39 V C 0.919 177.060 176.094 0.077 0.000 1.069 39 V CA 0.529 62.850 62.300 0.034 0.000 1.048 39 V CB 0.811 32.641 31.823 0.011 0.000 1.119 39 V HN 1.211 nan 8.190 nan 0.000 0.461 40 G N -0.334 108.511 108.800 0.075 0.000 2.391 40 G HA2 0.199 4.159 3.960 0.000 0.000 0.204 40 G HA3 0.199 4.159 3.960 0.000 0.000 0.204 40 G C 1.570 176.552 174.900 0.137 0.000 1.012 40 G CA 0.708 45.873 45.100 0.108 0.000 0.651 40 G HN 2.652 nan 8.290 nan 0.000 0.494 41 G N 0.571 109.465 108.800 0.157 0.000 2.574 41 G HA2 -0.375 3.585 3.960 0.000 0.000 0.301 41 G HA3 -0.375 3.585 3.960 0.000 0.000 0.301 41 G C 0.920 175.978 174.900 0.263 0.000 1.166 41 G CA 1.342 46.552 45.100 0.183 0.000 0.971 41 G HN 1.159 nan 8.290 nan 0.000 0.542 42 R N 1.789 122.351 120.500 0.104 0.000 2.339 42 R HA 0.171 4.511 4.340 0.000 0.000 0.199 42 R C 1.205 177.391 176.300 -0.190 0.000 1.018 42 R CA 1.184 57.158 56.100 -0.210 0.000 1.036 42 R CB -0.303 29.858 30.300 -0.232 0.000 0.899 42 R HN 0.733 nan 8.270 nan 0.000 0.473 43 T N -2.414 112.182 114.554 0.071 0.000 2.867 43 T HA 0.355 4.705 4.350 0.000 0.000 0.282 43 T C -0.909 174.010 174.700 0.366 0.000 1.000 43 T CA -0.627 61.564 62.100 0.152 0.000 1.042 43 T CB 1.618 70.546 68.868 0.099 0.000 0.973 43 T HN 0.102 nan 8.240 nan 0.000 0.465 44 Y N 1.059 121.505 120.300 0.243 0.000 2.313 44 Y HA 0.401 4.952 4.550 0.000 0.000 0.320 44 Y C -1.223 174.795 175.900 0.198 0.000 1.171 44 Y CA -0.931 57.319 58.100 0.250 0.000 1.093 44 Y CB 1.404 40.081 38.460 0.361 0.000 1.224 44 Y HN 0.879 nan 8.280 nan 0.000 0.421 45 T N 7.835 122.252 114.554 -0.229 0.000 2.781 45 T HA 0.381 4.731 4.350 0.000 0.000 0.305 45 T C -0.671 173.730 174.700 -0.499 0.000 1.001 45 T CA -0.382 61.567 62.100 -0.252 0.000 0.950 45 T CB 0.412 69.238 68.868 -0.071 0.000 0.955 45 T HN 0.578 nan 8.240 nan 0.000 0.471 46 L N 4.582 125.499 121.223 -0.511 0.000 2.331 46 L HA 0.574 4.914 4.340 0.000 0.000 0.278 46 L C -0.172 176.624 176.870 -0.123 0.000 1.106 46 L CA 0.015 54.633 54.840 -0.371 0.000 0.824 46 L CB 0.368 42.285 42.059 -0.237 0.000 1.142 46 L HN 0.454 nan 8.230 nan 0.000 0.443 47 R N 3.661 124.118 120.500 -0.071 0.000 2.437 47 R HA 0.628 4.968 4.340 0.000 0.000 0.310 47 R C -1.049 175.232 176.300 -0.031 0.000 0.955 47 R CA -0.543 55.540 56.100 -0.028 0.000 0.851 47 R CB 1.313 31.609 30.300 -0.007 0.000 1.161 47 R HN 0.906 nan 8.270 nan 0.000 0.446 48 N N -0.760 117.905 118.700 -0.057 0.000 3.106 48 N HA 0.096 4.836 4.740 0.000 0.000 0.253 48 N C -0.153 175.303 175.510 -0.090 0.000 1.506 48 N CA -0.864 52.150 53.050 -0.060 0.000 0.876 48 N CB 0.723 39.178 38.487 -0.053 0.000 1.452 48 N HN 0.134 nan 8.380 nan 0.000 0.542 49 Q N -0.338 119.415 119.800 -0.078 0.000 2.230 49 Q HA 0.095 4.435 4.340 0.000 0.000 0.202 49 Q C 0.610 176.564 176.000 -0.076 0.000 0.963 49 Q CA 1.010 56.780 55.803 -0.054 0.000 0.866 49 Q CB -0.040 28.676 28.738 -0.037 0.000 0.931 49 Q HN 0.526 nan 8.270 nan 0.000 0.452 50 K N 0.435 120.700 120.400 -0.225 0.000 2.217 50 K HA -0.030 4.290 4.320 0.000 0.000 0.202 50 K C 1.968 178.352 176.600 -0.359 0.000 1.051 50 K CA 0.953 57.004 56.287 -0.393 0.000 0.952 50 K CB 0.193 32.127 32.500 -0.943 0.000 0.736 50 K HN 0.253 nan 8.250 nan 0.000 0.453 51 V N -3.057 116.629 119.914 -0.380 0.000 3.645 51 V HA 0.238 4.358 4.120 0.000 0.000 0.275 51 V C 1.397 177.099 176.094 -0.653 0.000 1.356 51 V CA 0.588 62.620 62.300 -0.447 0.000 1.051 51 V CB 0.213 31.800 31.823 -0.393 0.000 0.828 51 V HN 0.269 nan 8.190 nan 0.000 0.441 52 K N 0.565 120.673 120.400 -0.487 0.000 10.883 52 K HA -0.306 4.014 4.320 0.000 0.000 0.526 52 K C 0.118 176.618 176.600 -0.167 0.000 0.382 52 K CA 2.445 58.483 56.287 -0.415 0.000 1.943 52 K CB -1.421 30.625 32.500 -0.757 0.000 0.766 52 K HN 0.934 nan 8.250 nan 0.000 1.214 53 Y N -1.882 118.269 120.300 -0.248 0.000 2.571 53 Y HA 0.730 5.280 4.550 0.000 0.000 0.341 53 Y C -1.226 174.630 175.900 -0.073 0.000 1.076 53 Y CA -0.674 57.343 58.100 -0.138 0.000 1.029 53 Y CB 2.025 40.423 38.460 -0.103 0.000 1.308 53 Y HN 0.027 nan 8.280 nan 0.000 0.461 54 V N 2.128 122.104 119.914 0.103 0.000 2.817 54 V HA 0.356 4.476 4.120 0.000 0.000 0.303 54 V C -1.676 174.475 176.094 0.094 0.000 1.151 54 V CA -0.638 61.720 62.300 0.097 0.000 0.929 54 V CB 1.970 33.871 31.823 0.130 0.000 1.030 54 V HN 0.923 nan 8.190 nan 0.000 0.427 55 D N 5.735 126.204 120.400 0.114 0.000 2.338 55 D HA 0.294 4.934 4.640 0.000 0.000 0.255 55 D C 0.917 177.293 176.300 0.127 0.000 1.237 55 D CA 0.196 54.247 54.000 0.086 0.000 0.883 55 D CB 1.817 42.639 40.800 0.036 0.000 1.087 55 D HN 0.532 nan 8.370 nan 0.000 0.485 56 L N 1.504 122.851 121.223 0.206 0.000 2.477 56 L HA 0.180 4.520 4.340 0.000 0.000 0.220 56 L C 1.604 178.873 176.870 0.665 0.000 1.106 56 L CA 0.158 55.228 54.840 0.384 0.000 0.851 56 L CB 0.236 42.530 42.059 0.392 0.000 0.994 56 L HN 0.319 nan 8.230 nan 0.000 0.462 57 G N -0.689 108.427 108.800 0.527 0.000 3.194 57 G HA2 0.421 4.381 3.960 0.000 0.000 0.160 57 G HA3 0.421 4.381 3.960 0.000 0.000 0.160 57 G C -0.092 174.818 174.900 0.017 0.000 1.267 57 G CA -0.007 45.186 45.100 0.155 0.000 0.962 57 G HN 0.121 nan 8.290 nan 0.000 0.612 58 G N -0.946 107.795 108.800 -0.099 0.000 2.414 58 G HA2 0.370 4.330 3.960 0.000 0.000 0.236 58 G HA3 0.370 4.330 3.960 0.000 0.000 0.236 58 G C 0.512 175.368 174.900 -0.074 0.000 1.293 58 G CA 0.874 45.919 45.100 -0.092 0.000 0.869 58 G HN 0.791 nan 8.290 nan 0.000 0.556 59 S N 0.926 116.512 115.700 -0.189 0.000 3.330 59 S HA 0.217 4.687 4.470 0.000 0.000 0.259 59 S C -0.010 174.315 174.600 -0.459 0.000 1.095 59 S CA -0.279 57.706 58.200 -0.358 0.000 0.841 59 S CB 0.036 62.827 63.200 -0.682 0.000 0.890 59 S HN 0.492 nan 8.310 nan 0.000 0.446 60 Y N 2.446 122.699 120.300 -0.079 0.000 2.320 60 Y HA 0.594 5.144 4.550 0.000 0.000 0.324 60 Y C 0.282 176.043 175.900 -0.231 0.000 1.190 60 Y CA -0.602 57.394 58.100 -0.173 0.000 1.215 60 Y CB 1.380 39.775 38.460 -0.108 0.000 1.221 60 Y HN 0.125 nan 8.280 nan 0.000 0.486 61 V N -0.693 119.097 119.914 -0.207 0.000 3.141 61 V HA 1.107 5.227 4.120 0.000 0.000 0.312 61 V C -0.299 175.606 176.094 -0.315 0.000 1.157 61 V CA -0.578 61.530 62.300 -0.319 0.000 1.041 61 V CB 1.642 33.209 31.823 -0.428 0.000 1.071 61 V HN 0.952 nan 8.190 nan 0.000 0.441 62 G N -0.234 108.329 108.800 -0.395 0.000 2.606 62 G HA2 0.707 4.667 3.960 0.000 0.000 0.300 62 G HA3 0.707 4.667 3.960 0.000 0.000 0.300 62 G C -3.431 171.303 174.900 -0.277 0.000 1.360 62 G CA -1.146 43.774 45.100 -0.301 0.000 0.783 62 G HN 0.718 nan 8.290 nan 0.000 0.484 63 P HA 0.113 nan 4.420 nan 0.000 0.265 63 P C 0.796 178.076 177.300 -0.034 0.000 1.187 63 P CA 1.975 65.027 63.100 -0.079 0.000 0.766 63 P CB 0.894 32.576 31.700 -0.030 0.000 0.820 64 T N -1.412 113.149 114.554 0.010 0.000 6.412 64 T HA -0.254 4.096 4.350 0.000 0.000 0.279 64 T C 0.235 174.933 174.700 -0.002 0.000 2.177 64 T CA 1.089 63.264 62.100 0.125 0.000 3.599 64 T CB -2.674 66.400 68.868 0.343 0.000 1.259 64 T HN 0.595 nan 8.240 nan 0.000 1.146 65 Q N 1.191 120.818 119.800 -0.289 0.000 3.207 65 Q HA 0.367 4.707 4.340 0.000 0.000 0.335 65 Q C 0.864 176.747 176.000 -0.195 0.000 1.374 65 Q CA -0.482 55.048 55.803 -0.454 0.000 1.023 65 Q CB 0.225 28.522 28.738 -0.735 0.000 1.576 65 Q HN 0.482 nan 8.270 nan 0.000 0.515 66 N N 0.780 119.438 118.700 -0.070 0.000 2.409 66 N HA -0.062 4.678 4.740 0.000 0.000 0.179 66 N C 1.190 176.697 175.510 -0.005 0.000 1.032 66 N CA 0.773 53.812 53.050 -0.020 0.000 0.898 66 N CB 0.293 38.796 38.487 0.026 0.000 0.971 66 N HN 0.382 nan 8.380 nan 0.000 0.441 67 R N 0.365 120.863 120.500 -0.003 0.000 2.062 67 R HA 0.047 4.387 4.340 0.000 0.000 0.229 67 R C 1.963 178.269 176.300 0.010 0.000 1.128 67 R CA 0.612 56.721 56.100 0.015 0.000 0.960 67 R CB -0.300 30.021 30.300 0.034 0.000 0.855 67 R HN 0.075 nan 8.270 nan 0.000 0.432 68 I N 1.217 121.787 120.570 -0.001 0.000 2.394 68 I HA -0.173 3.997 4.170 0.000 0.000 0.251 68 I C 1.770 177.944 176.117 0.095 0.000 1.136 68 I CA 1.322 62.648 61.300 0.042 0.000 1.425 68 I CB -0.024 38.010 38.000 0.058 0.000 1.079 68 I HN 0.097 nan 8.210 nan 0.000 0.425 69 L N 0.173 121.430 121.223 0.057 0.000 2.056 69 L HA -0.158 4.182 4.340 0.000 0.000 0.207 69 L C 2.735 179.645 176.870 0.066 0.000 1.078 69 L CA 1.233 56.126 54.840 0.089 0.000 0.749 69 L CB -0.813 41.254 42.059 0.013 0.000 0.901 69 L HN 0.259 nan 8.230 nan 0.000 0.433 70 R N 0.796 121.315 120.500 0.032 0.000 2.066 70 R HA -0.179 4.161 4.340 0.000 0.000 0.232 70 R C 2.309 178.614 176.300 0.008 0.000 1.131 70 R CA 1.628 57.740 56.100 0.020 0.000 0.955 70 R CB -0.693 29.616 30.300 0.016 0.000 0.851 70 R HN 0.241 nan 8.270 nan 0.000 0.432 71 L N 1.298 122.522 121.223 0.001 0.000 2.012 71 L HA -0.104 4.236 4.340 0.000 0.000 0.210 71 L C 2.450 179.284 176.870 -0.060 0.000 1.073 71 L CA 2.470 57.295 54.840 -0.025 0.000 0.748 71 L CB -0.875 41.169 42.059 -0.025 0.000 0.891 71 L HN 0.273 nan 8.230 nan 0.000 0.431 72 A N -0.901 121.875 122.820 -0.074 0.000 1.930 72 A HA -0.232 4.088 4.320 0.000 0.000 0.217 72 A C 2.447 179.978 177.584 -0.089 0.000 1.175 72 A CA 1.797 53.720 52.037 -0.190 0.000 0.627 72 A CB -0.600 18.208 19.000 -0.320 0.000 0.815 72 A HN 0.525 nan 8.150 nan 0.000 0.443 73 K N -0.135 120.262 120.400 -0.004 0.000 2.057 73 K HA -0.201 4.120 4.320 0.000 0.000 0.207 73 K C 2.064 178.655 176.600 -0.014 0.000 1.049 73 K CA 1.668 57.961 56.287 0.010 0.000 0.931 73 K CB -0.181 32.336 32.500 0.029 0.000 0.714 73 K HN 0.616 nan 8.250 nan 0.000 0.440 74 E N 0.570 120.758 120.200 -0.020 0.000 2.153 74 E HA -0.162 4.188 4.350 0.000 0.000 0.194 74 E C 1.642 178.222 176.600 -0.034 0.000 0.988 74 E CA 0.821 57.209 56.400 -0.020 0.000 0.811 74 E CB -0.001 29.689 29.700 -0.016 0.000 0.746 74 E HN 0.358 nan 8.360 nan 0.000 0.466 75 L N -0.395 120.793 121.223 -0.058 0.000 2.610 75 L HA 0.142 4.482 4.340 0.000 0.000 0.232 75 L C 1.437 178.263 176.870 -0.073 0.000 1.149 75 L CA 0.513 55.308 54.840 -0.075 0.000 0.872 75 L CB 0.025 42.016 42.059 -0.113 0.000 0.992 75 L HN 0.418 nan 8.230 nan 0.000 0.447 76 G N -0.086 108.681 108.800 -0.055 0.000 2.141 76 G HA2 -0.237 3.723 3.960 0.000 0.000 0.231 76 G HA3 -0.237 3.723 3.960 0.000 0.000 0.231 76 G C 0.154 175.028 174.900 -0.043 0.000 0.984 76 G CA -0.308 44.767 45.100 -0.041 0.000 0.660 76 G HN 0.205 nan 8.290 nan 0.000 0.525 77 L N 0.119 121.303 121.223 -0.064 0.000 2.421 77 L HA 0.698 5.038 4.340 0.000 0.000 0.263 77 L C 0.598 177.506 176.870 0.062 0.000 1.122 77 L CA -0.647 54.162 54.840 -0.051 0.000 0.804 77 L CB 0.966 42.890 42.059 -0.225 0.000 1.150 77 L HN 0.191 nan 8.230 nan 0.000 0.457 78 E N -0.067 120.214 120.200 0.136 0.000 2.312 78 E HA 0.435 4.785 4.350 0.000 0.000 0.267 78 E C -0.976 175.780 176.600 0.261 0.000 0.894 78 E CA -0.705 55.797 56.400 0.170 0.000 0.773 78 E CB 2.440 32.208 29.700 0.113 0.000 1.241 78 E HN 0.651 nan 8.360 nan 0.000 0.432 79 T N -1.306 113.343 114.554 0.158 0.000 2.948 79 T HA 0.626 4.976 4.350 0.000 0.000 0.285 79 T C -0.636 174.140 174.700 0.127 0.000 1.019 79 T CA -0.649 61.472 62.100 0.036 0.000 1.013 79 T CB 0.677 69.443 68.868 -0.171 0.000 1.117 79 T HN 0.536 nan 8.240 nan 0.000 0.533 80 Y N -1.608 118.681 120.300 -0.018 0.000 2.609 80 Y HA 0.742 5.292 4.550 0.000 0.000 0.342 80 Y C -0.807 175.089 175.900 -0.007 0.000 1.058 80 Y CA -1.560 56.544 58.100 0.005 0.000 1.055 80 Y CB 1.370 39.853 38.460 0.040 0.000 1.292 80 Y HN 0.620 nan 8.280 nan 0.000 0.476 81 K N 2.013 122.458 120.400 0.075 0.000 2.234 81 K HA 0.474 4.794 4.320 0.000 0.000 0.282 81 K C -0.860 175.767 176.600 0.045 0.000 1.039 81 K CA -0.847 55.428 56.287 -0.019 0.000 0.928 81 K CB 1.842 34.358 32.500 0.026 0.000 1.039 81 K HN 0.566 nan 8.250 nan 0.000 0.470 82 V N 3.101 122.985 119.914 -0.049 0.000 2.740 82 V HA -0.095 4.025 4.120 0.000 0.000 0.303 82 V C 0.529 176.660 176.094 0.062 0.000 1.054 82 V CA -0.225 62.100 62.300 0.042 0.000 1.106 82 V CB 0.516 32.333 31.823 -0.010 0.000 0.957 82 V HN 0.735 nan 8.190 nan 0.000 0.486 83 N N 3.631 122.394 118.700 0.106 0.000 2.440 83 N HA 0.010 4.750 4.740 0.000 0.000 0.265 83 N C 0.198 175.724 175.510 0.026 0.000 1.239 83 N CA 0.547 53.645 53.050 0.079 0.000 0.909 83 N CB 0.291 38.850 38.487 0.120 0.000 1.066 83 N HN 0.820 nan 8.380 nan 0.000 0.474 84 E N 2.899 123.103 120.200 0.007 0.000 3.191 84 E HA 0.122 4.472 4.350 0.000 0.000 0.192 84 E C 0.268 176.857 176.600 -0.017 0.000 0.972 84 E CA -0.080 56.304 56.400 -0.026 0.000 1.266 84 E CB 0.224 29.893 29.700 -0.052 0.000 1.076 84 E HN 0.448 nan 8.360 nan 0.000 0.462 85 V N 0.475 120.392 119.914 0.006 0.000 2.323 85 V HA -0.143 3.977 4.120 0.000 0.000 0.244 85 V C 0.858 176.952 176.094 -0.001 0.000 1.041 85 V CA 1.570 63.872 62.300 0.003 0.000 1.025 85 V CB -0.118 31.710 31.823 0.008 0.000 0.656 85 V HN 0.262 nan 8.190 nan 0.000 0.451 86 E N -0.760 119.449 120.200 0.014 0.000 2.561 86 E HA 0.430 4.780 4.350 0.000 0.000 0.254 86 E C 0.122 176.731 176.600 0.015 0.000 1.213 86 E CA -0.661 55.754 56.400 0.024 0.000 0.995 86 E CB 0.349 30.077 29.700 0.047 0.000 1.233 86 E HN 0.290 nan 8.360 nan 0.000 0.556 87 R N 0.199 120.732 120.500 0.055 0.000 2.539 87 R HA 0.298 4.638 4.340 0.000 0.000 0.275 87 R C -0.416 175.859 176.300 -0.042 0.000 1.077 87 R CA -0.585 55.525 56.100 0.016 0.000 1.097 87 R CB 0.176 30.552 30.300 0.126 0.000 1.018 87 R HN 0.199 nan 8.270 nan 0.000 0.483 88 L N 2.105 123.138 121.223 -0.316 0.000 2.468 88 L HA 0.394 4.734 4.340 0.000 0.000 0.254 88 L C 0.153 176.891 176.870 -0.221 0.000 1.171 88 L CA 0.168 54.743 54.840 -0.441 0.000 0.809 88 L CB 0.523 41.931 42.059 -1.085 0.000 1.155 88 L HN 0.456 nan 8.230 nan 0.000 0.473 89 I N -0.026 120.535 120.570 -0.014 0.000 2.498 89 I HA 0.264 4.434 4.170 0.000 0.000 0.290 89 I C -0.686 175.754 176.117 0.539 0.000 1.032 89 I CA -0.529 60.902 61.300 0.218 0.000 1.073 89 I CB 1.669 39.617 38.000 -0.087 0.000 1.251 89 I HN 0.535 nan 8.210 nan 0.000 0.426 90 H N 5.435 124.826 119.070 0.534 0.000 2.541 90 H HA 0.317 4.873 4.556 0.000 0.000 0.316 90 H C -1.359 174.201 175.328 0.386 0.000 1.043 90 H CA -0.663 55.623 56.048 0.396 0.000 1.232 90 H CB 0.915 30.799 29.762 0.204 0.000 1.406 90 H HN 0.621 nan 8.280 nan 0.000 0.469 91 H N 4.498 123.641 119.070 0.123 0.000 2.541 91 H HA 0.420 4.976 4.556 0.000 0.000 0.316 91 H C -1.504 173.782 175.328 -0.069 0.000 1.043 91 H CA -0.471 55.590 56.048 0.023 0.000 1.232 91 H CB 0.919 30.714 29.762 0.054 0.000 1.406 91 H HN 0.349 nan 8.280 nan 0.000 0.469 92 V N 6.085 125.801 119.914 -0.331 0.000 2.777 92 V HA 0.252 4.372 4.120 0.000 0.000 0.306 92 V C -0.742 175.268 176.094 -0.141 0.000 1.112 92 V CA -0.860 61.314 62.300 -0.211 0.000 0.917 92 V CB 1.483 33.100 31.823 -0.344 0.000 1.018 92 V HN 1.043 nan 8.190 nan 0.000 0.426 93 K N 4.737 125.093 120.400 -0.074 0.000 3.077 93 K HA -0.211 4.109 4.320 0.000 0.000 0.264 93 K C 0.928 177.475 176.600 -0.088 0.000 1.008 93 K CA 0.982 57.247 56.287 -0.036 0.000 0.740 93 K CB -1.589 30.913 32.500 0.002 0.000 1.273 93 K HN 2.026 nan 8.250 nan 0.000 0.477 94 G N -0.371 108.317 108.800 -0.187 0.000 2.159 94 G HA2 -0.333 3.627 3.960 0.000 0.000 0.256 94 G HA3 -0.333 3.627 3.960 0.000 0.000 0.256 94 G C -0.080 174.647 174.900 -0.287 0.000 0.977 94 G CA 1.000 46.027 45.100 -0.122 0.000 0.652 94 G HN 0.387 nan 8.290 nan 0.000 0.531 95 K N -0.101 119.968 120.400 -0.552 0.000 2.385 95 K HA 0.664 4.984 4.320 0.000 0.000 0.248 95 K C -0.679 175.566 176.600 -0.591 0.000 0.955 95 K CA -0.646 55.374 56.287 -0.445 0.000 0.816 95 K CB 1.994 34.287 32.500 -0.345 0.000 1.250 95 K HN 0.068 nan 8.250 nan 0.000 0.434 96 S N 1.262 116.737 115.700 -0.375 0.000 2.475 96 S HA 0.445 4.915 4.470 0.000 0.000 0.298 96 S C -1.336 172.975 174.600 -0.482 0.000 1.119 96 S CA -0.609 57.476 58.200 -0.191 0.000 1.085 96 S CB 0.283 63.504 63.200 0.036 0.000 1.028 96 S HN 0.355 nan 8.310 nan 0.000 0.489 97 Y N 3.047 123.433 120.300 0.144 0.000 2.338 97 Y HA 0.372 4.922 4.550 0.000 0.000 0.328 97 Y C -2.301 173.799 175.900 0.332 0.000 0.965 97 Y CA -2.392 55.833 58.100 0.207 0.000 1.208 97 Y CB 1.196 39.767 38.460 0.185 0.000 1.132 97 Y HN 0.436 nan 8.280 nan 0.000 0.469 98 P HA 0.311 nan 4.420 nan 0.000 0.275 98 P C -0.869 176.743 177.300 0.520 0.000 1.228 98 P CA 0.006 63.359 63.100 0.422 0.000 0.786 98 P CB 1.187 33.113 31.700 0.376 0.000 0.927 99 F N -0.999 119.074 119.950 0.205 0.000 2.817 99 F HA 0.698 5.226 4.527 0.000 0.000 0.317 99 F C -1.389 174.484 175.800 0.123 0.000 1.168 99 F CA -1.286 56.817 58.000 0.173 0.000 0.911 99 F CB 1.462 40.569 39.000 0.179 0.000 1.337 99 F HN 0.087 nan 8.300 nan 0.000 0.464 100 R N 0.997 121.572 120.500 0.125 0.000 2.744 100 R HA 0.761 5.101 4.340 0.000 0.000 0.279 100 R C -0.566 175.848 176.300 0.191 0.000 0.977 100 R CA -0.728 55.349 56.100 -0.037 0.000 0.906 100 R CB 1.951 32.257 30.300 0.011 0.000 1.197 100 R HN 1.491 nan 8.270 nan 0.000 0.463 101 G N 1.795 110.644 108.800 0.082 0.000 2.408 101 G HA2 -0.124 3.836 3.960 0.000 0.000 0.682 101 G HA3 -0.124 3.836 3.960 0.000 0.000 0.682 101 G C -2.380 172.572 174.900 0.087 0.000 1.303 101 G CA -0.991 44.175 45.100 0.111 0.000 0.966 101 G HN 0.398 nan 8.290 nan 0.000 0.560 102 P HA 0.202 nan 4.420 nan 0.000 0.219 102 P C 0.317 177.130 177.300 -0.811 0.000 1.150 102 P CA 1.158 63.986 63.100 -0.452 0.000 0.814 102 P CB 0.056 31.451 31.700 -0.508 0.000 0.787 103 F N -1.232 118.720 119.950 0.002 0.000 2.576 103 F HA 0.462 4.989 4.527 0.000 0.000 0.313 103 F C -2.327 173.282 175.800 -0.319 0.000 1.078 103 F CA -3.017 54.893 58.000 -0.151 0.000 0.921 103 F CB 0.778 39.650 39.000 -0.213 0.000 1.232 103 F HN -0.397 nan 8.300 nan 0.000 0.459 104 P HA 0.080 nan 4.420 nan 0.000 0.267 104 P C -2.491 174.647 177.300 -0.270 0.000 1.200 104 P CA -0.694 61.836 63.100 -0.950 0.000 0.772 104 P CB -0.202 30.962 31.700 -0.892 0.000 0.855 105 P HA 0.089 nan 4.420 nan 0.000 0.275 105 P C -0.956 176.232 177.300 -0.187 0.000 1.227 105 P CA 0.152 63.175 63.100 -0.128 0.000 0.781 105 P CB 0.597 32.253 31.700 -0.072 0.000 0.906 106 V N 3.366 123.133 119.914 -0.244 0.000 2.409 106 V HA 0.196 4.316 4.120 0.000 0.000 0.291 106 V C 0.423 176.387 176.094 -0.216 0.000 1.020 106 V CA -0.193 61.986 62.300 -0.202 0.000 0.848 106 V CB 1.445 33.089 31.823 -0.298 0.000 0.990 106 V HN 0.674 nan 8.190 nan 0.000 0.430 107 W N 1.291 122.580 121.300 -0.019 0.000 2.588 107 W HA 0.160 4.820 4.660 0.000 0.000 0.277 107 W C 1.461 177.975 176.519 -0.007 0.000 1.221 107 W CA -0.046 57.289 57.345 -0.017 0.000 1.355 107 W CB 0.262 29.709 29.460 -0.022 0.000 1.083 107 W HN 0.531 nan 8.180 nan 0.000 0.581 108 N N 1.927 120.748 118.700 0.202 0.000 2.411 108 N HA -0.051 4.689 4.740 0.000 0.000 0.265 108 N C -1.839 173.742 175.510 0.118 0.000 1.266 108 N CA -0.429 52.700 53.050 0.132 0.000 0.889 108 N CB 1.264 39.806 38.487 0.093 0.000 1.069 108 N HN -0.110 nan 8.380 nan 0.000 0.476 109 P HA -0.103 nan 4.420 nan 0.000 0.216 109 P C 1.534 178.907 177.300 0.122 0.000 1.150 109 P CA 0.757 63.916 63.100 0.098 0.000 0.837 109 P CB 0.327 32.062 31.700 0.058 0.000 0.786 110 I N -0.862 119.759 120.570 0.085 0.000 2.202 110 I HA -0.167 4.003 4.170 0.000 0.000 0.242 110 I C 1.937 178.100 176.117 0.076 0.000 1.091 110 I CA 1.901 63.239 61.300 0.063 0.000 1.368 110 I CB -1.943 36.089 38.000 0.052 0.000 1.058 110 I HN 0.026 nan 8.210 nan 0.000 0.410 111 T N 0.363 114.971 114.554 0.091 0.000 2.746 111 T HA -0.235 4.115 4.350 0.000 0.000 0.267 111 T C 1.877 176.624 174.700 0.079 0.000 1.039 111 T CA 1.366 63.528 62.100 0.102 0.000 1.142 111 T CB -0.610 68.295 68.868 0.063 0.000 0.866 111 T HN 0.310 nan 8.240 nan 0.000 0.444 112 Y N 1.930 122.201 120.300 -0.049 0.000 2.128 112 Y HA -0.153 4.397 4.550 0.000 0.000 0.284 112 Y C 2.040 177.929 175.900 -0.017 0.000 1.154 112 Y CA 1.267 59.322 58.100 -0.075 0.000 1.149 112 Y CB -0.505 37.892 38.460 -0.104 0.000 0.976 112 Y HN 0.109 nan 8.280 nan 0.000 0.505 113 L N -0.140 121.101 121.223 0.031 0.000 2.046 113 L HA -0.229 4.111 4.340 0.000 0.000 0.208 113 L C 2.191 178.978 176.870 -0.139 0.000 1.077 113 L CA 1.841 56.641 54.840 -0.066 0.000 0.747 113 L CB -0.686 41.367 42.059 -0.010 0.000 0.896 113 L HN 0.270 nan 8.230 nan 0.000 0.432 114 D N -0.879 119.485 120.400 -0.061 0.000 2.097 114 D HA -0.195 4.445 4.640 0.000 0.000 0.197 114 D C 2.180 178.415 176.300 -0.110 0.000 0.984 114 D CA 1.300 55.268 54.000 -0.052 0.000 0.826 114 D CB 0.062 40.879 40.800 0.027 0.000 0.973 114 D HN 0.309 nan 8.370 nan 0.000 0.460 115 H N -0.303 118.617 119.070 -0.250 0.000 2.326 115 H HA -0.098 4.458 4.556 0.000 0.000 0.301 115 H C 2.159 177.294 175.328 -0.321 0.000 1.081 115 H CA 1.129 56.994 56.048 -0.304 0.000 1.334 115 H CB -0.192 29.436 29.762 -0.223 0.000 1.385 115 H HN 0.286 nan 8.280 nan 0.000 0.504 116 N N 1.203 119.726 118.700 -0.294 0.000 2.061 116 N HA -0.198 4.542 4.740 0.000 0.000 0.193 116 N C 1.820 177.203 175.510 -0.211 0.000 1.030 116 N CA 1.059 53.919 53.050 -0.317 0.000 0.856 116 N CB -0.235 37.932 38.487 -0.533 0.000 1.023 116 N HN 0.407 nan 8.380 nan 0.000 0.424 117 N N -0.179 118.395 118.700 -0.210 0.000 2.188 117 N HA -0.175 4.565 4.740 0.000 0.000 0.184 117 N C 1.863 177.235 175.510 -0.231 0.000 1.018 117 N CA 0.659 53.597 53.050 -0.186 0.000 0.858 117 N CB -0.277 38.120 38.487 -0.152 0.000 0.989 117 N HN 0.230 nan 8.380 nan 0.000 0.426 118 F N 0.678 120.369 119.950 -0.431 0.000 2.075 118 F HA -0.098 4.429 4.527 0.000 0.000 0.297 118 F C 1.769 177.223 175.800 -0.576 0.000 1.113 118 F CA 1.623 59.266 58.000 -0.595 0.000 1.218 118 F CB -0.835 37.601 39.000 -0.940 0.000 0.984 118 F HN 0.071 nan 8.300 nan 0.000 0.472 119 W N 0.444 121.439 121.300 -0.507 0.000 2.381 119 W HA -0.079 4.581 4.660 0.000 0.000 0.301 119 W C 2.780 179.019 176.519 -0.467 0.000 1.205 119 W CA 1.157 58.144 57.345 -0.596 0.000 1.285 119 W CB -0.618 28.495 29.460 -0.578 0.000 1.133 119 W HN -0.086 nan 8.180 nan 0.000 0.521 120 R N 0.189 120.593 120.500 -0.160 0.000 2.083 120 R HA -0.162 4.178 4.340 0.000 0.000 0.237 120 R C 1.927 178.092 176.300 -0.225 0.000 1.137 120 R CA 2.262 58.262 56.100 -0.168 0.000 0.951 120 R CB -0.672 29.529 30.300 -0.163 0.000 0.851 120 R HN 0.022 nan 8.270 nan 0.000 0.434 121 T N 1.086 115.453 114.554 -0.311 0.000 2.857 121 T HA -0.062 4.288 4.350 0.000 0.000 0.266 121 T C 1.799 176.278 174.700 -0.367 0.000 1.048 121 T CA 1.145 63.063 62.100 -0.305 0.000 1.139 121 T CB -0.005 68.679 68.868 -0.307 0.000 0.874 121 T HN 0.167 nan 8.240 nan 0.000 0.455 122 M N 1.627 120.915 119.600 -0.520 0.000 2.080 122 M HA -0.104 4.376 4.480 0.000 0.000 0.260 122 M C 1.785 177.931 176.300 -0.255 0.000 1.068 122 M CA 1.514 56.557 55.300 -0.428 0.000 1.109 122 M CB -1.030 31.298 32.600 -0.453 0.000 1.342 122 M HN 0.179 nan 8.290 nan 0.000 0.405 123 D N 0.430 120.707 120.400 -0.205 0.000 2.149 123 D HA -0.112 4.528 4.640 0.000 0.000 0.201 123 D C 1.585 177.807 176.300 -0.130 0.000 0.972 123 D CA 0.956 54.868 54.000 -0.147 0.000 0.835 123 D CB -0.257 40.473 40.800 -0.117 0.000 0.966 123 D HN 0.286 nan 8.370 nan 0.000 0.476 124 D N 0.502 120.820 120.400 -0.136 0.000 2.092 124 D HA -0.127 4.513 4.640 0.000 0.000 0.193 124 D C 2.221 178.494 176.300 -0.045 0.000 0.994 124 D CA 0.812 54.758 54.000 -0.091 0.000 0.828 124 D CB -0.270 40.473 40.800 -0.095 0.000 0.963 124 D HN 0.232 nan 8.370 nan 0.000 0.450 125 M N 0.238 119.779 119.600 -0.099 0.000 2.108 125 M HA -0.085 4.395 4.480 0.000 0.000 0.261 125 M C 2.360 178.687 176.300 0.044 0.000 1.066 125 M CA 1.763 57.026 55.300 -0.062 0.000 1.107 125 M CB -0.572 31.715 32.600 -0.523 0.000 1.356 125 M HN 0.048 nan 8.290 nan 0.000 0.406 126 G N 0.189 108.951 108.800 -0.063 0.000 2.442 126 G HA2 -0.219 3.741 3.960 0.000 0.000 0.219 126 G HA3 -0.219 3.741 3.960 0.000 0.000 0.219 126 G C 1.615 176.504 174.900 -0.019 0.000 1.141 126 G CA 0.657 45.729 45.100 -0.047 0.000 0.763 126 G HN 0.418 nan 8.290 nan 0.000 0.554 127 R N 0.199 120.683 120.500 -0.027 0.000 2.285 127 R HA 0.000 4.340 4.340 0.000 0.000 0.213 127 R C 1.797 178.098 176.300 0.001 0.000 1.068 127 R CA 0.734 56.814 56.100 -0.032 0.000 1.004 127 R CB 0.043 30.318 30.300 -0.042 0.000 0.873 127 R HN 0.311 nan 8.270 nan 0.000 0.467 128 E N 0.282 120.526 120.200 0.073 0.000 2.481 128 E HA 0.036 4.386 4.350 0.000 0.000 0.195 128 E C 0.286 176.904 176.600 0.030 0.000 1.047 128 E CA 0.500 56.937 56.400 0.063 0.000 0.867 128 E CB 0.326 30.113 29.700 0.145 0.000 0.858 128 E HN 0.334 nan 8.360 nan 0.000 0.513 129 I N 2.934 123.540 120.570 0.061 0.000 2.330 129 I HA 0.189 4.359 4.170 0.000 0.000 0.286 129 I C -2.417 173.694 176.117 -0.009 0.000 1.025 129 I CA -2.386 58.946 61.300 0.053 0.000 1.197 129 I CB 1.440 39.539 38.000 0.165 0.000 1.358 129 I HN -0.341 nan 8.210 nan 0.000 0.467 130 P HA 0.081 nan 4.420 nan 0.000 0.264 130 P C 0.495 177.758 177.300 -0.062 0.000 1.193 130 P CA 0.230 63.252 63.100 -0.130 0.000 0.763 130 P CB 0.804 32.371 31.700 -0.222 0.000 0.810 131 S N 1.965 117.647 115.700 -0.031 0.000 2.399 131 S HA -0.155 4.315 4.470 0.000 0.000 0.231 131 S C 1.198 175.898 174.600 0.166 0.000 1.022 131 S CA 1.717 59.982 58.200 0.109 0.000 0.983 131 S CB -0.563 62.592 63.200 -0.075 0.000 0.803 131 S HN 0.674 nan 8.310 nan 0.000 0.480 132 D N 0.345 120.693 120.400 -0.086 0.000 2.339 132 D HA 0.316 4.956 4.640 0.000 0.000 0.217 132 D C 0.240 176.312 176.300 -0.380 0.000 1.050 132 D CA 0.225 54.127 54.000 -0.164 0.000 0.856 132 D CB 0.085 40.730 40.800 -0.259 0.000 0.922 132 D HN 0.250 nan 8.370 nan 0.000 0.518 133 A N 1.093 123.510 122.820 -0.672 0.000 3.330 133 A HA 0.341 4.661 4.320 0.000 0.000 0.256 133 A C -2.216 174.520 177.584 -1.415 0.000 1.185 133 A CA -0.741 50.401 52.037 -1.490 0.000 0.940 133 A CB 0.778 19.251 19.000 -0.879 0.000 1.397 133 A HN -0.092 nan 8.150 nan 0.000 0.678 134 P HA -0.155 nan 4.420 nan 0.000 0.220 134 P C 1.229 178.311 177.300 -0.363 0.000 1.148 134 P CA 1.336 64.104 63.100 -0.553 0.000 0.803 134 P CB -0.334 31.054 31.700 -0.521 0.000 0.782 135 W N 0.379 121.603 121.300 -0.126 0.000 2.721 135 W HA 0.107 4.767 4.660 0.000 0.000 0.245 135 W C 1.144 177.613 176.519 -0.083 0.000 1.276 135 W CA 0.363 57.654 57.345 -0.091 0.000 1.342 135 W CB -1.218 28.184 29.460 -0.096 0.000 1.135 135 W HN -0.211 nan 8.180 nan 0.000 0.654 136 K N 0.980 121.155 120.400 -0.375 0.000 2.404 136 K HA 0.272 4.592 4.320 0.000 0.000 0.194 136 K C 0.838 177.334 176.600 -0.174 0.000 1.023 136 K CA 0.411 56.577 56.287 -0.201 0.000 1.094 136 K CB -0.410 31.934 32.500 -0.259 0.000 0.841 136 K HN 0.175 nan 8.250 nan 0.000 0.523 137 A N 2.405 125.118 122.820 -0.179 0.000 2.520 137 A HA 0.129 4.449 4.320 0.000 0.000 0.235 137 A C -1.441 175.997 177.584 -0.243 0.000 1.065 137 A CA -0.730 51.192 52.037 -0.191 0.000 0.764 137 A CB 0.074 18.970 19.000 -0.173 0.000 1.002 137 A HN -0.052 nan 8.150 nan 0.000 0.502 138 P HA -0.075 nan 4.420 nan 0.000 0.216 138 P C 0.485 177.582 177.300 -0.338 0.000 1.150 138 P CA 1.155 64.105 63.100 -0.250 0.000 0.837 138 P CB 0.081 31.652 31.700 -0.214 0.000 0.786 139 L N -1.975 118.879 121.223 -0.616 0.000 2.984 139 L HA 0.344 4.685 4.340 0.000 0.000 0.246 139 L C 1.753 178.202 176.870 -0.702 0.000 1.268 139 L CA -0.352 54.043 54.840 -0.741 0.000 1.054 139 L CB -0.402 40.941 42.059 -1.194 0.000 1.393 139 L HN -0.096 nan 8.230 nan 0.000 0.532 140 A N 0.370 122.962 122.820 -0.379 0.000 1.892 140 A HA -0.219 4.101 4.320 0.000 0.000 0.218 140 A C 2.164 179.740 177.584 -0.013 0.000 1.188 140 A CA 1.725 53.686 52.037 -0.127 0.000 0.631 140 A CB -0.154 18.829 19.000 -0.029 0.000 0.822 140 A HN 0.510 nan 8.150 nan 0.000 0.447 141 E N -0.888 119.292 120.200 -0.034 0.000 2.031 141 E HA -0.244 4.106 4.350 0.000 0.000 0.193 141 E C 2.134 178.773 176.600 0.064 0.000 0.994 141 E CA 1.329 57.745 56.400 0.027 0.000 0.800 141 E CB -0.251 29.451 29.700 0.003 0.000 0.752 141 E HN 0.839 nan 8.360 nan 0.000 0.447 142 E N 0.099 120.309 120.200 0.016 0.000 2.097 142 E HA -0.213 4.137 4.350 0.000 0.000 0.196 142 E C 1.771 178.550 176.600 0.298 0.000 1.000 142 E CA 1.332 57.795 56.400 0.104 0.000 0.804 142 E CB -0.031 29.697 29.700 0.048 0.000 0.740 142 E HN 0.281 nan 8.360 nan 0.000 0.454 143 W N 0.903 122.244 121.300 0.070 0.000 2.436 143 W HA -0.016 4.644 4.660 0.000 0.000 0.284 143 W C 1.954 178.546 176.519 0.122 0.000 1.225 143 W CA 0.712 58.111 57.345 0.089 0.000 1.271 143 W CB -0.978 28.534 29.460 0.087 0.000 1.114 143 W HN 0.216 nan 8.180 nan 0.000 0.559 144 D N -0.344 120.263 120.400 0.344 0.000 2.269 144 D HA -0.119 4.521 4.640 0.000 0.000 0.208 144 D C 1.277 177.714 176.300 0.228 0.000 0.963 144 D CA 0.899 55.068 54.000 0.281 0.000 0.864 144 D CB -0.223 40.715 40.800 0.230 0.000 0.936 144 D HN -0.098 nan 8.370 nan 0.000 0.505 145 N N -0.222 118.595 118.700 0.195 0.000 2.398 145 N HA 0.086 4.826 4.740 0.000 0.000 0.188 145 N C 0.069 175.665 175.510 0.143 0.000 1.122 145 N CA 0.154 53.294 53.050 0.150 0.000 0.866 145 N CB 0.014 38.571 38.487 0.118 0.000 0.970 145 N HN 0.458 nan 8.380 nan 0.000 0.462 146 M N -1.450 118.251 119.600 0.168 0.000 2.602 146 M HA 0.499 4.979 4.480 0.000 0.000 0.312 146 M C 0.089 176.477 176.300 0.147 0.000 1.181 146 M CA -0.889 54.492 55.300 0.136 0.000 0.910 146 M CB 1.747 34.421 32.600 0.124 0.000 1.723 146 M HN -0.127 nan 8.290 nan 0.000 0.459 147 T N -0.907 113.717 114.554 0.115 0.000 2.816 147 T HA 0.260 4.610 4.350 0.000 0.000 0.282 147 T C 1.113 175.866 174.700 0.087 0.000 0.993 147 T CA -0.802 61.367 62.100 0.115 0.000 0.994 147 T CB 0.765 69.690 68.868 0.096 0.000 1.025 147 T HN 0.771 nan 8.240 nan 0.000 0.529 148 M N 0.216 119.857 119.600 0.069 0.000 2.202 148 M HA -0.037 4.443 4.480 0.000 0.000 0.262 148 M C 2.212 178.497 176.300 -0.025 0.000 1.063 148 M CA 1.609 56.913 55.300 0.006 0.000 1.097 148 M CB -1.332 31.201 32.600 -0.112 0.000 1.382 148 M HN 0.861 nan 8.290 nan 0.000 0.413 149 K N 0.448 120.838 120.400 -0.016 0.000 2.063 149 K HA -0.188 4.132 4.320 0.000 0.000 0.208 149 K C 1.717 178.304 176.600 -0.022 0.000 1.048 149 K CA 1.566 57.842 56.287 -0.019 0.000 0.928 149 K CB 0.033 32.552 32.500 0.031 0.000 0.713 149 K HN 0.393 nan 8.250 nan 0.000 0.442 150 E N 0.373 120.575 120.200 0.004 0.000 2.150 150 E HA -0.192 4.158 4.350 0.000 0.000 0.193 150 E C 1.985 178.577 176.600 -0.013 0.000 0.985 150 E CA 0.862 57.261 56.400 -0.003 0.000 0.814 150 E CB -0.034 29.681 29.700 0.025 0.000 0.752 150 E HN 0.210 nan 8.360 nan 0.000 0.466 151 L N 0.895 122.115 121.223 -0.005 0.000 2.056 151 L HA -0.125 4.215 4.340 0.000 0.000 0.207 151 L C 2.002 178.865 176.870 -0.012 0.000 1.078 151 L CA 1.389 56.219 54.840 -0.017 0.000 0.749 151 L CB -0.168 41.873 42.059 -0.031 0.000 0.901 151 L HN 0.089 nan 8.230 nan 0.000 0.433 152 L N -0.728 120.478 121.223 -0.028 0.000 2.046 152 L HA -0.198 4.142 4.340 0.000 0.000 0.208 152 L C 2.228 179.021 176.870 -0.128 0.000 1.077 152 L CA 1.234 56.017 54.840 -0.095 0.000 0.747 152 L CB -0.985 40.962 42.059 -0.187 0.000 0.896 152 L HN 0.270 nan 8.230 nan 0.000 0.432 153 D N 0.456 120.789 120.400 -0.111 0.000 2.123 153 D HA -0.173 4.467 4.640 0.000 0.000 0.196 153 D C 2.216 178.423 176.300 -0.156 0.000 0.992 153 D CA 1.301 55.219 54.000 -0.137 0.000 0.833 153 D CB -0.005 40.730 40.800 -0.108 0.000 0.954 153 D HN 0.283 nan 8.370 nan 0.000 0.455 154 K N -0.232 120.109 120.400 -0.098 0.000 2.116 154 K HA 0.078 4.398 4.320 0.000 0.000 0.203 154 K C 2.147 178.725 176.600 -0.037 0.000 1.052 154 K CA 0.421 56.660 56.287 -0.081 0.000 0.952 154 K CB 0.155 32.642 32.500 -0.021 0.000 0.729 154 K HN 0.133 nan 8.250 nan 0.000 0.446 155 L N 0.080 121.307 121.223 0.005 0.000 2.307 155 L HA 0.031 4.371 4.340 0.000 0.000 0.211 155 L C 0.534 177.499 176.870 0.158 0.000 1.099 155 L CA -0.041 54.866 54.840 0.112 0.000 0.816 155 L CB 0.348 42.487 42.059 0.133 0.000 0.952 155 L HN 0.095 nan 8.230 nan 0.000 0.455 156 C N -0.313 118.977 119.300 -0.017 0.000 2.239 156 C HA 0.157 4.617 4.460 0.000 0.000 0.325 156 C C 0.695 175.666 174.990 -0.031 0.000 1.231 156 C CA -0.880 58.094 59.018 -0.074 0.000 1.652 156 C CB -0.539 27.018 27.740 -0.304 0.000 2.284 156 C HN 0.471 nan 8.230 nan 0.000 0.499 157 W N 1.935 123.160 121.300 -0.125 0.000 3.290 157 W HA 0.148 4.808 4.660 0.000 0.000 0.287 157 W C 1.408 177.880 176.519 -0.077 0.000 1.288 157 W CA 0.026 57.321 57.345 -0.083 0.000 1.725 157 W CB -0.104 29.321 29.460 -0.058 0.000 1.103 157 W HN 0.670 nan 8.180 nan 0.000 0.670 158 T N -3.606 110.993 114.554 0.075 0.000 2.912 158 T HA 0.301 4.651 4.350 0.000 0.000 0.288 158 T C 0.870 175.533 174.700 -0.061 0.000 1.030 158 T CA -0.614 61.499 62.100 0.021 0.000 1.020 158 T CB 2.606 71.511 68.868 0.062 0.000 1.056 158 T HN -0.207 nan 8.240 nan 0.000 0.480 159 E N 1.023 121.200 120.200 -0.039 0.000 2.106 159 E HA -0.098 4.252 4.350 0.000 0.000 0.192 159 E C 2.150 178.715 176.600 -0.058 0.000 0.984 159 E CA 1.154 57.518 56.400 -0.060 0.000 0.806 159 E CB -0.420 29.261 29.700 -0.031 0.000 0.750 159 E HN 0.735 nan 8.360 nan 0.000 0.458 160 S N 0.604 116.308 115.700 0.007 0.000 2.365 160 S HA -0.213 4.257 4.470 0.000 0.000 0.225 160 S C 2.059 176.620 174.600 -0.066 0.000 1.039 160 S CA 1.661 59.915 58.200 0.090 0.000 1.033 160 S CB -0.080 63.269 63.200 0.248 0.000 0.887 160 S HN 0.316 nan 8.310 nan 0.000 0.447 161 A N 1.075 123.690 122.820 -0.341 0.000 1.897 161 A HA -0.011 4.309 4.320 0.000 0.000 0.215 161 A C 2.150 179.306 177.584 -0.712 0.000 1.181 161 A CA 1.707 53.195 52.037 -0.915 0.000 0.620 161 A CB -0.675 17.785 19.000 -0.900 0.000 0.821 161 A HN 0.645 nan 8.150 nan 0.000 0.443 162 K N -0.427 119.689 120.400 -0.473 0.000 2.057 162 K HA -0.208 4.112 4.320 0.000 0.000 0.207 162 K C 2.201 178.630 176.600 -0.284 0.000 1.049 162 K CA 1.736 57.776 56.287 -0.412 0.000 0.931 162 K CB -0.193 32.148 32.500 -0.265 0.000 0.714 162 K HN 0.611 nan 8.250 nan 0.000 0.440 163 Q N 0.262 119.962 119.800 -0.166 0.000 2.079 163 Q HA -0.157 4.183 4.340 0.000 0.000 0.200 163 Q C 2.098 178.094 176.000 -0.007 0.000 0.974 163 Q CA 1.247 57.020 55.803 -0.050 0.000 0.840 163 Q CB -0.057 28.693 28.738 0.021 0.000 0.898 163 Q HN 0.221 nan 8.270 nan 0.000 0.430 164 L N 0.392 121.596 121.223 -0.032 0.000 2.056 164 L HA -0.068 4.272 4.340 0.000 0.000 0.207 164 L C 2.111 179.027 176.870 0.076 0.000 1.078 164 L CA 1.901 56.795 54.840 0.091 0.000 0.749 164 L CB -0.751 41.391 42.059 0.138 0.000 0.901 164 L HN 0.128 nan 8.230 nan 0.000 0.433 165 A N -1.675 120.983 122.820 -0.271 0.000 1.933 165 A HA -0.206 4.114 4.320 0.000 0.000 0.218 165 A C 2.263 179.837 177.584 -0.016 0.000 1.175 165 A CA 2.274 54.102 52.037 -0.348 0.000 0.628 165 A CB -1.155 17.165 19.000 -1.132 0.000 0.814 165 A HN 0.495 nan 8.150 nan 0.000 0.444 166 T N 0.211 114.720 114.554 -0.075 0.000 2.708 166 T HA -0.105 4.245 4.350 0.000 0.000 0.266 166 T C 1.750 176.494 174.700 0.074 0.000 1.037 166 T CA 1.464 63.552 62.100 -0.020 0.000 1.146 166 T CB -0.303 68.546 68.868 -0.032 0.000 0.865 166 T HN 0.202 nan 8.240 nan 0.000 0.435 167 L N 0.516 121.825 121.223 0.144 0.000 2.042 167 L HA 0.040 4.380 4.340 0.000 0.000 0.210 167 L C 2.012 179.023 176.870 0.236 0.000 1.076 167 L CA 1.422 56.377 54.840 0.192 0.000 0.749 167 L CB -1.298 40.910 42.059 0.248 0.000 0.893 167 L HN 0.260 nan 8.230 nan 0.000 0.432 168 F N -0.470 119.589 119.950 0.181 0.000 2.095 168 F HA -0.260 4.267 4.527 0.000 0.000 0.298 168 F C 2.320 178.245 175.800 0.208 0.000 1.104 168 F CA 1.747 59.907 58.000 0.268 0.000 1.232 168 F CB -0.299 39.023 39.000 0.536 0.000 0.987 168 F HN -0.116 nan 8.300 nan 0.000 0.475 169 V N 0.985 121.016 119.914 0.193 0.000 2.295 169 V HA -0.357 3.763 4.120 0.000 0.000 0.246 169 V C 1.939 177.955 176.094 -0.129 0.000 1.049 169 V CA 2.506 64.684 62.300 -0.202 0.000 1.024 169 V CB -1.058 30.479 31.823 -0.476 0.000 0.648 169 V HN 0.419 nan 8.190 nan 0.000 0.447 170 N N 0.101 118.757 118.700 -0.073 0.000 2.149 170 N HA -0.202 4.538 4.740 0.000 0.000 0.188 170 N C 1.739 177.209 175.510 -0.066 0.000 1.019 170 N CA 1.291 54.298 53.050 -0.072 0.000 0.857 170 N CB -0.199 38.282 38.487 -0.010 0.000 0.997 170 N HN 0.357 nan 8.380 nan 0.000 0.426 171 L N 0.516 121.720 121.223 -0.032 0.000 2.179 171 L HA 0.034 4.374 4.340 0.000 0.000 0.208 171 L C 1.904 178.778 176.870 0.007 0.000 1.096 171 L CA 1.384 56.203 54.840 -0.035 0.000 0.779 171 L CB -0.426 41.573 42.059 -0.099 0.000 0.922 171 L HN 0.190 nan 8.230 nan 0.000 0.443 172 C N -1.349 117.934 119.300 -0.028 0.000 2.450 172 C HA 0.049 4.509 4.460 0.000 0.000 0.279 172 C C 2.078 177.194 174.990 0.210 0.000 1.335 172 C CA 0.813 59.885 59.018 0.090 0.000 1.749 172 C CB -0.462 27.291 27.740 0.023 0.000 1.963 172 C HN 0.566 nan 8.230 nan 0.000 0.501 173 V N -2.250 117.706 119.914 0.070 0.000 3.261 173 V HA 0.310 4.430 4.120 0.000 0.000 0.330 173 V C 0.681 176.669 176.094 -0.176 0.000 1.461 173 V CA 0.700 63.000 62.300 0.000 0.000 1.127 173 V CB -1.350 30.607 31.823 0.223 0.000 1.044 173 V HN 0.475 nan 8.190 nan 0.000 0.499 174 T N -1.564 112.800 114.554 -0.318 0.000 3.852 174 T HA -0.046 4.304 4.350 0.000 0.000 0.361 174 T C 0.110 174.660 174.700 -0.250 0.000 0.759 174 T CA 1.450 63.330 62.100 -0.367 0.000 1.899 174 T CB -2.530 65.980 68.868 -0.597 0.000 1.822 174 T HN 2.514 nan 8.240 nan 0.000 0.778 175 A N -0.359 122.307 122.820 -0.256 0.000 2.602 175 A HA 0.745 5.065 4.320 0.000 0.000 0.290 175 A C -0.561 176.826 177.584 -0.329 0.000 1.114 175 A CA -1.065 50.749 52.037 -0.371 0.000 0.683 175 A CB 1.192 19.741 19.000 -0.752 0.000 1.281 175 A HN 0.344 nan 8.150 nan 0.000 0.416 176 E N 0.388 120.341 120.200 -0.411 0.000 2.318 176 E HA 0.288 4.638 4.350 0.000 0.000 0.265 176 E C 1.207 177.515 176.600 -0.486 0.000 1.069 176 E CA 0.448 56.577 56.400 -0.452 0.000 0.893 176 E CB 1.009 30.254 29.700 -0.758 0.000 1.076 176 E HN 0.804 nan 8.360 nan 0.000 0.414 177 T N -1.400 112.944 114.554 -0.350 0.000 2.759 177 T HA -0.210 4.140 4.350 0.000 0.000 0.269 177 T C 1.417 176.010 174.700 -0.178 0.000 1.042 177 T CA 1.685 63.641 62.100 -0.240 0.000 1.140 177 T CB -0.399 68.380 68.868 -0.149 0.000 0.864 177 T HN 0.631 nan 8.240 nan 0.000 0.455 178 H N 0.357 119.382 119.070 -0.076 0.000 2.547 178 H HA 0.296 4.852 4.556 0.000 0.000 0.266 178 H C 1.431 176.739 175.328 -0.033 0.000 0.988 178 H CA 0.619 56.639 56.048 -0.045 0.000 1.147 178 H CB -0.142 29.592 29.762 -0.048 0.000 1.365 178 H HN 0.495 nan 8.280 nan 0.000 0.589 179 E N 1.283 121.301 120.200 -0.303 0.000 2.250 179 E HA 0.042 4.392 4.350 0.000 0.000 0.192 179 E C 0.757 177.333 176.600 -0.040 0.000 0.986 179 E CA 0.378 56.685 56.400 -0.154 0.000 0.849 179 E CB 0.871 30.322 29.700 -0.414 0.000 0.797 179 E HN 0.358 nan 8.360 nan 0.000 0.482 180 V N -0.818 119.063 119.914 -0.055 0.000 2.630 180 V HA 0.423 4.543 4.120 0.000 0.000 0.305 180 V C 0.000 176.262 176.094 0.280 0.000 1.046 180 V CA -1.134 61.255 62.300 0.149 0.000 0.934 180 V CB 1.810 33.775 31.823 0.236 0.000 1.003 180 V HN -0.014 nan 8.190 nan 0.000 0.451 181 S N 3.485 119.433 115.700 0.413 0.000 2.562 181 S HA 0.461 4.931 4.470 0.000 0.000 0.281 181 S C 1.422 176.300 174.600 0.464 0.000 1.333 181 S CA 0.188 58.636 58.200 0.413 0.000 1.052 181 S CB 1.019 64.496 63.200 0.460 0.000 0.884 181 S HN 1.768 nan 8.310 nan 0.000 0.506 182 A N 4.654 127.668 122.820 0.324 0.000 1.898 182 A HA -0.012 4.308 4.320 0.000 0.000 0.216 182 A C 2.031 179.801 177.584 0.311 0.000 1.181 182 A CA 1.548 53.747 52.037 0.271 0.000 0.620 182 A CB -0.956 18.118 19.000 0.122 0.000 0.819 182 A HN 0.973 nan 8.150 nan 0.000 0.442 183 L N -1.414 120.035 121.223 0.377 0.000 2.012 183 L HA -0.178 4.162 4.340 0.000 0.000 0.210 183 L C 2.231 179.340 176.870 0.397 0.000 1.073 183 L CA 2.597 57.688 54.840 0.419 0.000 0.748 183 L CB -0.737 41.570 42.059 0.414 0.000 0.891 183 L HN 0.674 nan 8.230 nan 0.000 0.431 184 W N -0.762 120.717 121.300 0.298 0.000 2.381 184 W HA -0.244 4.416 4.660 0.000 0.000 0.301 184 W C 2.299 179.104 176.519 0.476 0.000 1.205 184 W CA 1.631 59.173 57.345 0.329 0.000 1.285 184 W CB -0.640 28.998 29.460 0.297 0.000 1.133 184 W HN 0.279 nan 8.180 nan 0.000 0.521 185 F N 0.817 120.814 119.950 0.078 0.000 2.146 185 F HA -0.134 4.393 4.527 0.000 0.000 0.298 185 F C 2.073 177.804 175.800 -0.115 0.000 1.096 185 F CA 2.039 59.885 58.000 -0.257 0.000 1.275 185 F CB -0.681 38.353 39.000 0.057 0.000 1.008 185 F HN -0.178 nan 8.300 nan 0.000 0.480 186 L N -1.265 119.962 121.223 0.007 0.000 2.083 186 L HA -0.215 4.125 4.340 0.000 0.000 0.209 186 L C 2.302 179.095 176.870 -0.129 0.000 1.083 186 L CA 1.612 56.395 54.840 -0.095 0.000 0.752 186 L CB -1.002 41.030 42.059 -0.045 0.000 0.899 186 L HN 0.453 nan 8.230 nan 0.000 0.433 187 W N 0.103 121.273 121.300 -0.217 0.000 2.355 187 W HA -0.307 4.353 4.660 0.000 0.000 0.309 187 W C 2.621 178.931 176.519 -0.348 0.000 1.206 187 W CA 1.531 58.737 57.345 -0.232 0.000 1.284 187 W CB -0.621 28.737 29.460 -0.170 0.000 1.145 187 W HN 0.105 nan 8.180 nan 0.000 0.502 188 Y N 0.581 120.437 120.300 -0.740 0.000 2.165 188 Y HA -0.274 4.276 4.550 0.000 0.000 0.286 188 Y C 2.358 177.713 175.900 -0.909 0.000 1.155 188 Y CA 2.922 60.376 58.100 -1.077 0.000 1.164 188 Y CB -0.755 37.045 38.460 -1.099 0.000 0.978 188 Y HN -0.142 nan 8.280 nan 0.000 0.513 189 V N 1.022 120.525 119.914 -0.684 0.000 2.358 189 V HA -0.277 3.843 4.120 0.000 0.000 0.246 189 V C 2.481 178.251 176.094 -0.539 0.000 1.047 189 V CA 2.223 64.200 62.300 -0.539 0.000 1.035 189 V CB -0.645 30.954 31.823 -0.373 0.000 0.658 189 V HN 0.338 nan 8.190 nan 0.000 0.452 190 K N 1.048 121.145 120.400 -0.504 0.000 2.097 190 K HA -0.244 4.076 4.320 0.000 0.000 0.205 190 K C 2.117 178.377 176.600 -0.567 0.000 1.050 190 K CA 2.047 58.075 56.287 -0.432 0.000 0.938 190 K CB -0.076 32.235 32.500 -0.314 0.000 0.718 190 K HN 0.691 nan 8.250 nan 0.000 0.442 191 Q N -0.640 118.676 119.800 -0.806 0.000 2.472 191 Q HA -0.004 4.336 4.340 0.000 0.000 0.208 191 Q C 1.316 176.792 176.000 -0.875 0.000 0.958 191 Q CA 0.950 56.262 55.803 -0.818 0.000 0.932 191 Q CB -0.452 27.626 28.738 -1.100 0.000 1.007 191 Q HN 0.157 nan 8.270 nan 0.000 0.508 192 C N 0.113 118.763 119.300 -1.084 0.000 2.754 192 C HA 0.643 5.103 4.460 0.000 0.000 0.276 192 C C 1.544 175.803 174.990 -1.218 0.000 1.264 192 C CA 0.102 58.113 59.018 -1.679 0.000 1.700 192 C CB -0.859 25.906 27.740 -1.625 0.000 1.885 192 C HN 0.825 nan 8.230 nan 0.000 0.607 193 G N 0.105 108.498 108.800 -0.679 0.000 2.176 193 G HA2 0.279 4.239 3.960 0.000 0.000 0.232 193 G HA3 0.279 4.239 3.960 0.000 0.000 0.232 193 G C 0.484 175.218 174.900 -0.277 0.000 0.986 193 G CA 0.026 44.894 45.100 -0.387 0.000 0.643 193 G HN 1.662 nan 8.290 nan 0.000 0.522 194 G N -2.021 106.598 108.800 -0.302 0.000 2.566 194 G HA2 0.327 4.287 3.960 0.000 0.000 0.599 194 G HA3 0.327 4.287 3.960 0.000 0.000 0.599 194 G C 0.977 175.836 174.900 -0.067 0.000 1.292 194 G CA 1.006 46.003 45.100 -0.171 0.000 0.922 194 G HN 1.816 nan 8.290 nan 0.000 0.514 195 T N -3.081 111.487 114.554 0.022 0.000 2.737 195 T HA -0.060 4.290 4.350 0.000 0.000 0.265 195 T C 2.350 177.134 174.700 0.141 0.000 1.038 195 T CA 2.830 65.035 62.100 0.175 0.000 1.144 195 T CB -0.769 68.163 68.868 0.107 0.000 0.866 195 T HN 0.893 nan 8.240 nan 0.000 0.434 196 T N 1.413 115.998 114.554 0.051 0.000 2.708 196 T HA -0.052 4.298 4.350 0.000 0.000 0.266 196 T C 2.139 176.817 174.700 -0.038 0.000 1.037 196 T CA 1.611 63.695 62.100 -0.026 0.000 1.146 196 T CB -0.323 68.533 68.868 -0.020 0.000 0.865 196 T HN 0.317 nan 8.240 nan 0.000 0.435 197 R N 0.891 121.375 120.500 -0.026 0.000 2.081 197 R HA 0.141 4.482 4.340 0.000 0.000 0.235 197 R C 2.202 178.528 176.300 0.043 0.000 1.131 197 R CA 1.152 57.251 56.100 -0.001 0.000 0.960 197 R CB -0.818 29.457 30.300 -0.041 0.000 0.856 197 R HN 0.460 nan 8.270 nan 0.000 0.436 198 I N -0.543 120.023 120.570 -0.006 0.000 2.394 198 I HA -0.157 4.013 4.170 0.000 0.000 0.251 198 I C 1.332 177.493 176.117 0.074 0.000 1.136 198 I CA 0.985 62.309 61.300 0.039 0.000 1.425 198 I CB 0.132 38.105 38.000 -0.045 0.000 1.079 198 I HN 0.231 nan 8.210 nan 0.000 0.425 199 I N -0.344 120.256 120.570 0.048 0.000 3.645 199 I HA 0.067 4.237 4.170 0.000 0.000 0.300 199 I C 1.110 177.181 176.117 -0.077 0.000 1.260 199 I CA 0.432 61.724 61.300 -0.015 0.000 1.365 199 I CB 0.045 38.084 38.000 0.065 0.000 1.077 199 I HN -0.030 nan 8.210 nan 0.000 0.439 200 S N -0.332 115.323 115.700 -0.075 0.000 2.592 200 S HA 0.185 4.655 4.470 0.000 0.000 0.271 200 S C 1.228 175.788 174.600 -0.066 0.000 1.326 200 S CA -0.149 57.997 58.200 -0.091 0.000 1.024 200 S CB 1.387 64.533 63.200 -0.089 0.000 0.921 200 S HN 0.260 nan 8.310 nan 0.000 0.527 201 T N 1.950 116.459 114.554 -0.075 0.000 3.065 201 T HA 0.048 4.398 4.350 0.000 0.000 0.234 201 T C 0.600 175.250 174.700 -0.084 0.000 1.017 201 T CA 0.628 62.671 62.100 -0.096 0.000 1.292 201 T CB -0.273 68.536 68.868 -0.098 0.000 1.005 201 T HN 0.595 nan 8.240 nan 0.000 0.423 202 T N 3.478 117.989 114.554 -0.072 0.000 2.867 202 T HA 0.135 4.485 4.350 0.000 0.000 0.297 202 T C 0.699 175.368 174.700 -0.052 0.000 0.989 202 T CA 0.234 62.300 62.100 -0.058 0.000 1.159 202 T CB 0.040 68.879 68.868 -0.048 0.000 0.928 202 T HN 0.474 nan 8.240 nan 0.000 0.538 203 N N 0.652 119.325 118.700 -0.045 0.000 2.800 203 N HA -0.147 4.593 4.740 0.000 0.000 0.250 203 N C 0.167 175.665 175.510 -0.021 0.000 1.078 203 N CA 1.456 54.487 53.050 -0.031 0.000 0.804 203 N CB -1.068 37.405 38.487 -0.024 0.000 1.135 203 N HN 0.934 nan 8.380 nan 0.000 0.565 204 G N -3.042 105.738 108.800 -0.033 0.000 3.086 204 G HA2 0.573 4.533 3.960 0.000 0.000 0.282 204 G HA3 0.573 4.533 3.960 0.000 0.000 0.282 204 G C 1.014 175.894 174.900 -0.034 0.000 1.343 204 G CA 0.017 45.120 45.100 0.005 0.000 0.895 204 G HN 0.262 nan 8.290 nan 0.000 0.557 205 G N -0.913 107.909 108.800 0.037 0.000 2.462 205 G HA2 -0.035 3.925 3.960 0.000 0.000 0.220 205 G HA3 -0.035 3.925 3.960 0.000 0.000 0.220 205 G C 1.137 175.972 174.900 -0.108 0.000 1.121 205 G CA 0.973 46.008 45.100 -0.110 0.000 0.758 205 G HN 0.402 nan 8.290 nan 0.000 0.559 206 Q N -0.445 119.284 119.800 -0.117 0.000 2.201 206 Q HA 0.281 4.621 4.340 0.000 0.000 0.236 206 Q C 1.528 177.411 176.000 -0.195 0.000 0.857 206 Q CA -0.123 55.528 55.803 -0.254 0.000 1.025 206 Q CB 0.802 29.256 28.738 -0.473 0.000 1.124 206 Q HN 0.638 nan 8.270 nan 0.000 0.473 207 E N 0.336 120.455 120.200 -0.135 0.000 2.152 207 E HA -0.041 4.309 4.350 0.000 0.000 0.192 207 E C -0.032 176.490 176.600 -0.130 0.000 0.983 207 E CA 0.673 57.000 56.400 -0.122 0.000 0.818 207 E CB 0.463 30.095 29.700 -0.114 0.000 0.758 207 E HN 0.163 nan 8.360 nan 0.000 0.467 208 R N -0.707 119.699 120.500 -0.156 0.000 2.836 208 R HA 0.476 4.816 4.340 0.000 0.000 0.269 208 R C -1.046 175.042 176.300 -0.355 0.000 1.010 208 R CA -0.743 55.182 56.100 -0.290 0.000 0.930 208 R CB 1.980 32.081 30.300 -0.332 0.000 1.218 208 R HN -0.181 nan 8.270 nan 0.000 0.473 209 K N 0.501 120.516 120.400 -0.640 0.000 2.444 209 K HA 0.429 4.749 4.320 0.000 0.000 0.252 209 K C -1.161 175.108 176.600 -0.553 0.000 0.993 209 K CA -0.687 55.237 56.287 -0.604 0.000 0.847 209 K CB 1.590 33.801 32.500 -0.481 0.000 1.340 209 K HN 0.241 nan 8.250 nan 0.000 0.446 210 F N 1.072 120.958 119.950 -0.108 0.000 2.412 210 F HA 0.145 4.672 4.527 0.000 0.000 0.348 210 F C 0.484 176.343 175.800 0.098 0.000 1.102 210 F CA -0.937 57.050 58.000 -0.022 0.000 1.196 210 F CB 0.926 39.888 39.000 -0.064 0.000 1.144 210 F HN 0.012 nan 8.300 nan 0.000 0.541 211 V N 3.752 123.876 119.914 0.351 0.000 2.458 211 V HA 0.203 4.323 4.120 0.000 0.000 0.287 211 V C 0.926 176.920 176.094 -0.168 0.000 1.009 211 V CA 1.239 63.662 62.300 0.205 0.000 1.091 211 V CB 0.032 31.955 31.823 0.167 0.000 0.960 211 V HN 1.114 nan 8.190 nan 0.000 0.476 212 G N 3.317 111.599 108.800 -0.863 0.000 2.195 212 G HA2 0.158 4.118 3.960 0.000 0.000 0.246 212 G HA3 0.158 4.118 3.960 0.000 0.000 0.246 212 G C 0.750 175.118 174.900 -0.886 0.000 0.984 212 G CA -0.118 44.159 45.100 -1.370 0.000 0.633 212 G HN 2.407 nan 8.290 nan 0.000 0.525 213 G N -1.451 107.130 108.800 -0.365 0.000 2.674 213 G HA2 0.382 4.342 3.960 0.000 0.000 0.686 213 G HA3 0.382 4.342 3.960 0.000 0.000 0.686 213 G C 0.786 175.694 174.900 0.014 0.000 1.195 213 G CA 0.838 45.913 45.100 -0.042 0.000 0.776 213 G HN 1.866 nan 8.290 nan 0.000 0.654 214 S N 0.037 115.799 115.700 0.104 0.000 2.481 214 S HA 0.141 4.611 4.470 0.000 0.000 0.231 214 S C 2.511 177.097 174.600 -0.025 0.000 0.996 214 S CA 1.603 59.860 58.200 0.095 0.000 0.942 214 S CB 0.024 63.343 63.200 0.199 0.000 0.768 214 S HN 2.155 nan 8.310 nan 0.000 0.520 215 G N 1.440 110.240 108.800 0.000 0.000 2.479 215 G HA2 -0.179 3.781 3.960 0.000 0.000 0.220 215 G HA3 -0.179 3.781 3.960 0.000 0.000 0.220 215 G C 1.440 176.312 174.900 -0.047 0.000 1.115 215 G CA 0.622 45.729 45.100 0.011 0.000 0.757 215 G HN 0.636 nan 8.290 nan 0.000 0.560 216 Q N -0.190 119.547 119.800 -0.106 0.000 2.234 216 Q HA -0.064 4.276 4.340 0.000 0.000 0.206 216 Q C 2.723 178.622 176.000 -0.167 0.000 0.980 216 Q CA 0.968 56.687 55.803 -0.140 0.000 0.869 216 Q CB -0.191 28.436 28.738 -0.185 0.000 0.912 216 Q HN 0.436 nan 8.270 nan 0.000 0.436 217 V N 0.288 120.072 119.914 -0.217 0.000 2.233 217 V HA -0.289 3.831 4.120 0.000 0.000 0.247 217 V C 2.131 178.156 176.094 -0.115 0.000 1.050 217 V CA 2.161 64.335 62.300 -0.210 0.000 1.010 217 V CB -0.592 31.090 31.823 -0.235 0.000 0.637 217 V HN 0.296 nan 8.190 nan 0.000 0.444 218 S N -0.862 114.796 115.700 -0.070 0.000 2.402 218 S HA -0.176 4.294 4.470 0.000 0.000 0.229 218 S C 1.903 176.479 174.600 -0.041 0.000 1.021 218 S CA 1.343 59.520 58.200 -0.039 0.000 0.974 218 S CB -0.229 62.970 63.200 -0.001 0.000 0.800 218 S HN 0.681 nan 8.310 nan 0.000 0.484 219 E N 0.979 121.153 120.200 -0.043 0.000 2.072 219 E HA -0.045 4.305 4.350 0.000 0.000 0.191 219 E C 2.366 178.934 176.600 -0.054 0.000 0.985 219 E CA 0.734 57.112 56.400 -0.037 0.000 0.801 219 E CB -0.048 29.631 29.700 -0.035 0.000 0.750 219 E HN 0.341 nan 8.360 nan 0.000 0.452 220 R N 0.323 120.779 120.500 -0.073 0.000 2.092 220 R HA -0.053 4.287 4.340 0.000 0.000 0.231 220 R C 2.349 178.606 176.300 -0.071 0.000 1.119 220 R CA 0.902 56.958 56.100 -0.074 0.000 0.970 220 R CB -0.203 30.043 30.300 -0.091 0.000 0.864 220 R HN 0.217 nan 8.270 nan 0.000 0.440 221 I N 0.646 121.172 120.570 -0.073 0.000 2.252 221 I HA -0.287 3.883 4.170 0.000 0.000 0.245 221 I C 2.676 178.744 176.117 -0.082 0.000 1.102 221 I CA 1.092 62.347 61.300 -0.074 0.000 1.385 221 I CB -0.213 37.748 38.000 -0.066 0.000 1.064 221 I HN 0.200 nan 8.210 nan 0.000 0.414 222 M N 0.925 120.485 119.600 -0.066 0.000 2.144 222 M HA -0.293 4.187 4.480 0.000 0.000 0.260 222 M C 1.636 177.895 176.300 -0.068 0.000 1.067 222 M CA 2.037 57.298 55.300 -0.065 0.000 1.095 222 M CB -0.231 32.342 32.600 -0.044 0.000 1.365 222 M HN 0.172 nan 8.290 nan 0.000 0.406 223 D N 0.500 120.864 120.400 -0.060 0.000 2.097 223 D HA -0.141 4.499 4.640 0.000 0.000 0.195 223 D C 2.014 178.275 176.300 -0.066 0.000 0.989 223 D CA 1.434 55.402 54.000 -0.053 0.000 0.827 223 D CB -0.475 40.298 40.800 -0.045 0.000 0.966 223 D HN 0.433 nan 8.370 nan 0.000 0.456 224 L N 0.082 121.257 121.223 -0.081 0.000 2.131 224 L HA -0.098 4.242 4.340 0.000 0.000 0.210 224 L C 2.234 178.992 176.870 -0.187 0.000 1.092 224 L CA 0.602 55.383 54.840 -0.099 0.000 0.759 224 L CB -0.178 41.826 42.059 -0.092 0.000 0.903 224 L HN 0.026 nan 8.230 nan 0.000 0.435 225 L N -1.204 119.893 121.223 -0.210 0.000 2.529 225 L HA 0.184 4.524 4.340 0.000 0.000 0.223 225 L C 1.668 178.442 176.870 -0.159 0.000 1.113 225 L CA 0.282 54.943 54.840 -0.298 0.000 0.861 225 L CB -0.572 41.340 42.059 -0.245 0.000 1.012 225 L HN 0.398 nan 8.230 nan 0.000 0.461 226 G N 2.129 110.872 108.800 -0.095 0.000 2.634 226 G HA2 -0.457 3.503 3.960 0.000 0.000 0.309 226 G HA3 -0.457 3.503 3.960 0.000 0.000 0.309 226 G C 0.451 175.329 174.900 -0.036 0.000 1.265 226 G CA 0.640 45.711 45.100 -0.048 0.000 0.998 226 G HN 0.548 nan 8.290 nan 0.000 0.551 227 D N 0.684 121.074 120.400 -0.015 0.000 2.324 227 D HA 0.111 4.751 4.640 0.000 0.000 0.235 227 D C 1.989 178.289 176.300 0.001 0.000 1.095 227 D CA 0.503 54.501 54.000 -0.003 0.000 0.871 227 D CB -0.230 40.577 40.800 0.012 0.000 0.906 227 D HN 0.614 nan 8.370 nan 0.000 0.522 228 R N -0.158 120.332 120.500 -0.016 0.000 2.235 228 R HA 0.101 4.441 4.340 0.000 0.000 0.213 228 R C 0.186 176.464 176.300 -0.037 0.000 1.059 228 R CA 0.276 56.368 56.100 -0.013 0.000 0.997 228 R CB 0.272 30.557 30.300 -0.026 0.000 0.884 228 R HN 0.101 nan 8.270 nan 0.000 0.462 229 V N 2.974 122.860 119.914 -0.046 0.000 2.406 229 V HA 0.114 4.234 4.120 0.000 0.000 0.272 229 V C -0.074 175.992 176.094 -0.046 0.000 1.043 229 V CA -0.416 61.850 62.300 -0.056 0.000 0.915 229 V CB 1.305 33.095 31.823 -0.054 0.000 0.988 229 V HN 0.036 nan 8.190 nan 0.000 0.466 230 K N 6.581 126.940 120.400 -0.068 0.000 2.334 230 K HA 0.534 4.854 4.320 0.000 0.000 0.265 230 K C -0.625 175.937 176.600 -0.063 0.000 1.039 230 K CA -0.268 55.989 56.287 -0.051 0.000 0.920 230 K CB 1.693 34.149 32.500 -0.074 0.000 1.160 230 K HN 0.503 nan 8.250 nan 0.000 0.451 231 L N 1.349 122.548 121.223 -0.041 0.000 2.421 231 L HA 0.185 4.525 4.340 0.000 0.000 0.263 231 L C 0.756 177.596 176.870 -0.049 0.000 1.122 231 L CA -0.335 54.475 54.840 -0.050 0.000 0.804 231 L CB 0.217 42.257 42.059 -0.031 0.000 1.150 231 L HN 0.675 nan 8.230 nan 0.000 0.457 232 E N 0.194 120.351 120.200 -0.072 0.000 2.360 232 E HA -0.240 4.110 4.350 0.000 0.000 0.238 232 E C -0.488 176.068 176.600 -0.074 0.000 1.186 232 E CA 0.308 56.662 56.400 -0.075 0.000 0.719 232 E CB -0.898 28.780 29.700 -0.037 0.000 1.236 232 E HN 0.350 nan 8.360 nan 0.000 0.386 233 R N 0.234 120.673 120.500 -0.102 0.000 2.860 233 R HA 0.243 4.583 4.340 0.000 0.000 0.282 233 R C -2.657 173.560 176.300 -0.138 0.000 1.408 233 R CA -2.019 54.027 56.100 -0.091 0.000 1.636 233 R CB 0.547 30.791 30.300 -0.094 0.000 1.187 233 R HN 0.019 nan 8.270 nan 0.000 0.611 234 P HA 0.035 nan 4.420 nan 0.000 0.276 234 P C -0.361 176.897 177.300 -0.070 0.000 1.230 234 P CA -0.230 62.761 63.100 -0.182 0.000 0.776 234 P CB 1.011 32.612 31.700 -0.165 0.000 0.888 235 V N 5.306 125.191 119.914 -0.048 0.000 2.530 235 V HA 0.098 4.218 4.120 0.000 0.000 0.282 235 V C 1.675 177.784 176.094 0.025 0.000 1.048 235 V CA 0.265 62.556 62.300 -0.014 0.000 0.997 235 V CB 0.471 32.275 31.823 -0.030 0.000 0.987 235 V HN 0.536 nan 8.190 nan 0.000 0.477 236 I N 2.027 122.624 120.570 0.046 0.000 4.187 236 I HA 0.442 4.612 4.170 0.000 0.000 0.326 236 I C 0.026 176.234 176.117 0.151 0.000 1.302 236 I CA 0.166 61.522 61.300 0.092 0.000 1.196 236 I CB 0.576 38.608 38.000 0.054 0.000 1.095 236 I HN 0.513 nan 8.210 nan 0.000 0.411 237 Y N 1.605 121.846 120.300 -0.099 0.000 2.480 237 Y HA 0.688 5.238 4.550 0.000 0.000 0.329 237 Y C -2.008 173.801 175.900 -0.151 0.000 1.127 237 Y CA -1.640 56.380 58.100 -0.133 0.000 1.037 237 Y CB 1.569 39.986 38.460 -0.071 0.000 1.320 237 Y HN -0.014 nan 8.280 nan 0.000 0.446 238 I N 5.540 125.663 120.570 -0.745 0.000 2.499 238 I HA 0.321 4.491 4.170 0.000 0.000 0.288 238 I C -1.552 174.160 176.117 -0.677 0.000 1.048 238 I CA -0.714 60.253 61.300 -0.555 0.000 1.062 238 I CB 2.039 39.871 38.000 -0.281 0.000 1.238 238 I HN 0.556 nan 8.210 nan 0.000 0.426 239 D N 5.912 125.999 120.400 -0.522 0.000 2.549 239 D HA 0.275 4.915 4.640 0.000 0.000 0.251 239 D C -0.374 175.848 176.300 -0.129 0.000 1.153 239 D CA -0.267 53.516 54.000 -0.362 0.000 0.861 239 D CB 1.558 42.164 40.800 -0.323 0.000 1.207 239 D HN 0.490 nan 8.370 nan 0.000 0.543 240 Q N 1.828 121.595 119.800 -0.056 0.000 2.189 240 Q HA 0.088 4.428 4.340 0.000 0.000 0.221 240 Q C 1.157 177.153 176.000 -0.006 0.000 0.848 240 Q CA 0.025 55.815 55.803 -0.021 0.000 1.007 240 Q CB 0.713 29.453 28.738 0.005 0.000 1.116 240 Q HN 0.590 nan 8.270 nan 0.000 0.481 241 T N -2.449 112.105 114.554 0.001 0.000 3.055 241 T HA 0.078 4.428 4.350 0.000 0.000 0.265 241 T C 0.940 175.646 174.700 0.010 0.000 1.111 241 T CA 0.269 62.379 62.100 0.016 0.000 1.118 241 T CB 0.249 69.137 68.868 0.034 0.000 0.909 241 T HN 0.093 nan 8.240 nan 0.000 0.501 242 R N 0.207 120.708 120.500 0.002 0.000 2.944 242 R HA 0.503 4.843 4.340 0.000 0.000 0.233 242 R C 1.334 177.625 176.300 -0.016 0.000 1.346 242 R CA -0.816 55.283 56.100 -0.002 0.000 1.082 242 R CB 0.809 31.111 30.300 0.004 0.000 1.434 242 R HN 0.073 nan 8.270 nan 0.000 0.510 243 E N 0.662 120.852 120.200 -0.018 0.000 2.070 243 E HA -0.161 4.189 4.350 0.000 0.000 0.197 243 E C -0.199 176.369 176.600 -0.053 0.000 1.004 243 E CA 1.306 57.688 56.400 -0.031 0.000 0.805 243 E CB 0.157 29.843 29.700 -0.024 0.000 0.744 243 E HN 0.269 nan 8.360 nan 0.000 0.451 244 N N -0.122 118.551 118.700 -0.045 0.000 2.417 244 N HA 0.181 4.921 4.740 0.000 0.000 0.300 244 N C -0.942 174.539 175.510 -0.049 0.000 1.102 244 N CA -0.395 52.619 53.050 -0.060 0.000 0.886 244 N CB 1.988 40.452 38.487 -0.038 0.000 1.203 244 N HN -0.161 nan 8.380 nan 0.000 0.496 245 V N 1.844 121.722 119.914 -0.061 0.000 2.715 245 V HA 0.206 4.326 4.120 0.000 0.000 0.299 245 V C 0.464 176.547 176.094 -0.018 0.000 1.054 245 V CA -0.291 61.984 62.300 -0.042 0.000 1.077 245 V CB 0.371 32.171 31.823 -0.039 0.000 0.972 245 V HN 0.365 nan 8.190 nan 0.000 0.484 246 L N 5.003 126.210 121.223 -0.027 0.000 2.313 246 L HA 0.598 4.938 4.340 0.000 0.000 0.283 246 L C -0.715 176.146 176.870 -0.014 0.000 1.013 246 L CA -0.581 54.262 54.840 0.004 0.000 0.816 246 L CB 1.892 43.965 42.059 0.024 0.000 1.236 246 L HN 0.363 nan 8.230 nan 0.000 0.419 247 V N 2.817 122.767 119.914 0.061 0.000 2.444 247 V HA 0.357 4.477 4.120 0.000 0.000 0.294 247 V C -0.251 175.936 176.094 0.156 0.000 1.022 247 V CA -0.619 61.717 62.300 0.061 0.000 0.850 247 V CB 1.858 33.715 31.823 0.056 0.000 0.992 247 V HN 0.718 nan 8.190 nan 0.000 0.426 248 E N 2.631 122.925 120.200 0.155 0.000 2.191 248 E HA 0.661 5.011 4.350 0.000 0.000 0.274 248 E C -0.346 176.328 176.600 0.124 0.000 0.948 248 E CA -0.457 56.051 56.400 0.181 0.000 0.802 248 E CB 1.861 31.699 29.700 0.229 0.000 1.137 248 E HN 0.846 nan 8.360 nan 0.000 0.397 249 T N 0.785 115.404 114.554 0.108 0.000 2.950 249 T HA 0.211 4.561 4.350 0.000 0.000 0.288 249 T C 0.896 175.563 174.700 -0.054 0.000 1.035 249 T CA -0.835 61.287 62.100 0.037 0.000 1.028 249 T CB 1.171 70.078 68.868 0.065 0.000 1.109 249 T HN 0.430 nan 8.240 nan 0.000 0.514 250 L N 1.349 122.513 121.223 -0.098 0.000 2.131 250 L HA 0.006 4.346 4.340 0.000 0.000 0.210 250 L C 1.832 178.422 176.870 -0.465 0.000 1.092 250 L CA 1.746 56.465 54.840 -0.202 0.000 0.759 250 L CB -0.777 41.220 42.059 -0.103 0.000 0.903 250 L HN 0.883 nan 8.230 nan 0.000 0.435 251 N N -1.293 117.234 118.700 -0.288 0.000 2.322 251 N HA -0.087 4.653 4.740 0.000 0.000 0.216 251 N C -0.473 174.979 175.510 -0.096 0.000 1.144 251 N CA 0.201 53.103 53.050 -0.246 0.000 0.830 251 N CB -0.798 37.671 38.487 -0.029 0.000 1.034 251 N HN 0.601 nan 8.380 nan 0.000 0.484 252 H N -1.373 117.713 119.070 0.027 0.000 2.933 252 H HA -0.112 4.444 4.556 0.000 0.000 0.301 252 H C -0.904 174.431 175.328 0.013 0.000 1.280 252 H CA 0.726 56.781 56.048 0.013 0.000 1.155 252 H CB -1.796 27.966 29.762 -0.000 0.000 1.379 252 H HN 0.509 nan 8.280 nan 0.000 0.419 253 E N 0.597 120.856 120.200 0.098 0.000 2.299 253 E HA 0.597 4.947 4.350 0.000 0.000 0.265 253 E C -0.165 176.452 176.600 0.028 0.000 0.911 253 E CA -1.188 55.235 56.400 0.039 0.000 0.789 253 E CB 1.591 31.339 29.700 0.080 0.000 1.246 253 E HN 0.023 nan 8.360 nan 0.000 0.427 254 M N 2.174 121.689 119.600 -0.141 0.000 2.190 254 M HA 0.379 4.859 4.480 0.000 0.000 0.312 254 M C -1.472 174.659 176.300 -0.282 0.000 0.990 254 M CA -0.612 54.637 55.300 -0.085 0.000 0.927 254 M CB 0.729 33.295 32.600 -0.056 0.000 1.571 254 M HN 0.514 nan 8.290 nan 0.000 0.427 255 Y N 0.615 120.926 120.300 0.017 0.000 2.429 255 Y HA 0.512 5.062 4.550 0.000 0.000 0.342 255 Y C 0.192 176.095 175.900 0.004 0.000 1.004 255 Y CA -0.730 57.376 58.100 0.009 0.000 1.075 255 Y CB 1.668 40.131 38.460 0.005 0.000 1.214 255 Y HN 0.585 nan 8.280 nan 0.000 0.455 256 E N 1.939 122.203 120.200 0.106 0.000 2.210 256 E HA 0.841 5.191 4.350 0.000 0.000 0.266 256 E C -1.629 175.006 176.600 0.058 0.000 0.883 256 E CA -0.739 55.695 56.400 0.057 0.000 0.761 256 E CB 1.295 31.006 29.700 0.017 0.000 1.156 256 E HN 0.763 nan 8.360 nan 0.000 0.412 257 A N 3.833 126.672 122.820 0.031 0.000 2.594 257 A HA 0.380 4.700 4.320 0.000 0.000 0.291 257 A C -0.069 177.487 177.584 -0.047 0.000 1.105 257 A CA -0.667 51.383 52.037 0.021 0.000 0.694 257 A CB 1.627 20.658 19.000 0.053 0.000 1.291 257 A HN 0.715 nan 8.150 nan 0.000 0.410 258 K N -0.865 119.493 120.400 -0.070 0.000 2.116 258 K HA 0.115 4.435 4.320 0.000 0.000 0.203 258 K C -0.659 175.594 176.600 -0.578 0.000 1.052 258 K CA 1.477 57.592 56.287 -0.286 0.000 0.952 258 K CB -0.049 32.330 32.500 -0.202 0.000 0.729 258 K HN 0.608 nan 8.250 nan 0.000 0.446 259 Y N -1.420 118.904 120.300 0.040 0.000 2.615 259 Y HA 0.391 4.941 4.550 0.000 0.000 0.341 259 Y C -0.687 175.243 175.900 0.050 0.000 1.089 259 Y CA -1.255 56.888 58.100 0.072 0.000 1.049 259 Y CB 1.859 40.360 38.460 0.068 0.000 1.296 259 Y HN -0.429 nan 8.280 nan 0.000 0.470 260 V N 2.854 122.912 119.914 0.241 0.000 2.789 260 V HA 0.492 4.612 4.120 0.000 0.000 0.311 260 V C -0.745 175.400 176.094 0.084 0.000 1.073 260 V CA -0.877 61.487 62.300 0.106 0.000 0.921 260 V CB 2.234 34.085 31.823 0.046 0.000 1.009 260 V HN 0.529 nan 8.190 nan 0.000 0.426 261 I N 2.535 123.122 120.570 0.029 0.000 2.378 261 I HA 0.362 4.532 4.170 0.000 0.000 0.291 261 I C 0.203 176.298 176.117 -0.038 0.000 0.992 261 I CA -0.230 61.061 61.300 -0.015 0.000 1.154 261 I CB 1.968 39.971 38.000 0.005 0.000 1.315 261 I HN 0.593 nan 8.210 nan 0.000 0.448 262 S N 5.126 120.760 115.700 -0.110 0.000 2.411 262 S HA 0.527 4.997 4.470 0.000 0.000 0.294 262 S C 0.419 175.088 174.600 0.114 0.000 1.115 262 S CA -0.424 57.788 58.200 0.021 0.000 1.071 262 S CB 0.598 63.828 63.200 0.050 0.000 0.967 262 S HN 0.720 nan 8.310 nan 0.000 0.488 263 A N 5.731 128.614 122.820 0.105 0.000 2.701 263 A HA 0.438 4.758 4.320 0.000 0.000 0.297 263 A C 0.362 178.023 177.584 0.129 0.000 1.197 263 A CA -0.647 51.459 52.037 0.116 0.000 0.963 263 A CB -0.477 18.567 19.000 0.073 0.000 1.175 263 A HN 0.893 nan 8.150 nan 0.000 0.531 264 I N -3.829 116.835 120.570 0.157 0.000 2.822 264 I HA 0.671 4.841 4.170 0.000 0.000 0.312 264 I C -2.879 173.337 176.117 0.164 0.000 1.011 264 I CA -3.036 58.355 61.300 0.152 0.000 1.105 264 I CB 1.208 39.300 38.000 0.153 0.000 1.291 264 I HN -0.167 nan 8.210 nan 0.000 0.474 265 P HA 0.132 nan 4.420 nan 0.000 0.265 265 P C -2.176 175.184 177.300 0.099 0.000 1.187 265 P CA -0.636 62.536 63.100 0.121 0.000 0.766 265 P CB -0.003 31.754 31.700 0.095 0.000 0.820 266 P HA -0.204 nan 4.420 nan 0.000 0.215 266 P C 1.605 178.895 177.300 -0.017 0.000 1.157 266 P CA 1.815 64.929 63.100 0.024 0.000 0.874 266 P CB -0.244 31.439 31.700 -0.029 0.000 0.790 267 T N -1.324 113.191 114.554 -0.064 0.000 2.915 267 T HA -0.054 4.296 4.350 0.000 0.000 0.269 267 T C 1.568 176.260 174.700 -0.014 0.000 1.071 267 T CA 0.655 62.705 62.100 -0.084 0.000 1.132 267 T CB -0.810 67.972 68.868 -0.143 0.000 0.878 267 T HN -0.048 nan 8.240 nan 0.000 0.479 268 L N 0.479 121.723 121.223 0.035 0.000 2.456 268 L HA 0.067 4.407 4.340 0.000 0.000 0.224 268 L C 2.816 179.761 176.870 0.124 0.000 1.148 268 L CA 0.848 55.736 54.840 0.081 0.000 0.825 268 L CB -0.869 41.263 42.059 0.122 0.000 0.937 268 L HN 0.381 nan 8.230 nan 0.000 0.450 269 G N 0.097 108.983 108.800 0.144 0.000 2.485 269 G HA2 -0.288 3.672 3.960 0.000 0.000 0.221 269 G HA3 -0.288 3.672 3.960 0.000 0.000 0.221 269 G C 1.590 176.634 174.900 0.241 0.000 1.115 269 G CA 0.475 45.723 45.100 0.246 0.000 0.751 269 G HN 0.301 nan 8.290 nan 0.000 0.567 270 M N -0.014 119.652 119.600 0.111 0.000 2.460 270 M HA 0.025 4.505 4.480 0.000 0.000 0.263 270 M C 1.999 178.315 176.300 0.026 0.000 1.071 270 M CA 0.916 56.251 55.300 0.058 0.000 1.096 270 M CB -0.060 32.534 32.600 -0.011 0.000 1.408 270 M HN 0.134 nan 8.290 nan 0.000 0.463 271 K N 0.480 120.918 120.400 0.063 0.000 2.525 271 K HA 0.170 4.490 4.320 0.000 0.000 0.192 271 K C 0.186 176.830 176.600 0.073 0.000 1.029 271 K CA 0.479 56.808 56.287 0.069 0.000 1.029 271 K CB 0.094 32.669 32.500 0.125 0.000 0.814 271 K HN 0.351 nan 8.250 nan 0.000 0.503 272 I N 1.206 121.785 120.570 0.016 0.000 2.404 272 I HA 0.146 4.316 4.170 0.000 0.000 0.293 272 I C 0.046 176.000 176.117 -0.272 0.000 0.992 272 I CA -0.775 60.437 61.300 -0.147 0.000 1.149 272 I CB 1.410 39.177 38.000 -0.388 0.000 1.315 272 I HN 0.051 nan 8.210 nan 0.000 0.446 273 H N 6.005 124.969 119.070 -0.177 0.000 2.527 273 H HA 0.364 4.920 4.556 0.000 0.000 0.321 273 H C -1.144 174.096 175.328 -0.147 0.000 1.087 273 H CA -0.257 55.791 56.048 0.001 0.000 1.337 273 H CB 1.337 31.187 29.762 0.146 0.000 1.440 273 H HN 0.321 nan 8.280 nan 0.000 0.490 274 F N 1.951 122.008 119.950 0.178 0.000 2.469 274 F HA 0.168 4.695 4.527 0.000 0.000 0.332 274 F C 0.561 176.400 175.800 0.066 0.000 1.103 274 F CA -0.711 57.319 58.000 0.050 0.000 0.979 274 F CB 1.392 40.410 39.000 0.030 0.000 1.137 274 F HN 0.474 nan 8.300 nan 0.000 0.463 275 N N 4.517 123.290 118.700 0.122 0.000 2.410 275 N HA 0.424 5.164 4.740 0.000 0.000 0.287 275 N C -3.018 172.535 175.510 0.072 0.000 1.044 275 N CA -2.332 50.790 53.050 0.121 0.000 0.881 275 N CB 2.263 40.836 38.487 0.144 0.000 1.405 275 N HN 0.089 nan 8.380 nan 0.000 0.490 276 P HA 0.343 nan 4.420 nan 0.000 0.277 276 P C -2.670 174.708 177.300 0.130 0.000 1.276 276 P CA -1.002 62.157 63.100 0.098 0.000 0.788 276 P CB -0.311 31.426 31.700 0.062 0.000 1.114 277 P HA 0.129 nan 4.420 nan 0.000 0.269 277 P C 0.067 177.384 177.300 0.029 0.000 1.215 277 P CA 0.112 63.277 63.100 0.109 0.000 0.780 277 P CB 0.180 31.923 31.700 0.072 0.000 0.898 278 L N 3.214 124.402 121.223 -0.058 0.000 2.499 278 L HA 0.101 4.441 4.340 0.000 0.000 0.281 278 L C -1.636 175.179 176.870 -0.092 0.000 1.234 278 L CA -1.455 53.279 54.840 -0.177 0.000 0.839 278 L CB -0.738 41.129 42.059 -0.320 0.000 1.104 278 L HN 0.301 nan 8.230 nan 0.000 0.500 279 P HA -0.055 nan 4.420 nan 0.000 0.269 279 P C 0.649 177.915 177.300 -0.057 0.000 1.217 279 P CA -0.240 62.825 63.100 -0.059 0.000 0.783 279 P CB 0.441 32.104 31.700 -0.061 0.000 0.898 280 M N 1.510 121.089 119.600 -0.034 0.000 2.089 280 M HA -0.216 4.264 4.480 0.000 0.000 0.257 280 M C 1.149 177.455 176.300 0.009 0.000 1.071 280 M CA 2.359 57.651 55.300 -0.014 0.000 1.096 280 M CB -0.407 32.189 32.600 -0.006 0.000 1.330 280 M HN 0.138 nan 8.290 nan 0.000 0.403 281 M N -0.223 119.377 119.600 -0.001 0.000 2.132 281 M HA -0.102 4.378 4.480 0.000 0.000 0.263 281 M C 2.359 178.695 176.300 0.061 0.000 1.065 281 M CA 1.682 57.023 55.300 0.068 0.000 1.122 281 M CB -1.382 31.199 32.600 -0.031 0.000 1.365 281 M HN 0.453 nan 8.290 nan 0.000 0.411 282 R N 0.514 120.977 120.500 -0.062 0.000 2.081 282 R HA -0.179 4.161 4.340 0.000 0.000 0.235 282 R C 2.009 178.217 176.300 -0.153 0.000 1.131 282 R CA 1.781 57.792 56.100 -0.148 0.000 0.960 282 R CB -0.243 29.910 30.300 -0.245 0.000 0.856 282 R HN 0.330 nan 8.270 nan 0.000 0.436 283 N N 0.503 119.130 118.700 -0.122 0.000 2.061 283 N HA -0.229 4.511 4.740 0.000 0.000 0.193 283 N C 1.614 177.054 175.510 -0.116 0.000 1.030 283 N CA 1.933 54.919 53.050 -0.107 0.000 0.856 283 N CB -0.003 38.446 38.487 -0.064 0.000 1.023 283 N HN 0.347 nan 8.380 nan 0.000 0.424 284 Q N -0.745 118.995 119.800 -0.099 0.000 2.137 284 Q HA -0.054 4.286 4.340 0.000 0.000 0.198 284 Q C 2.121 177.865 176.000 -0.427 0.000 0.960 284 Q CA 0.807 56.491 55.803 -0.199 0.000 0.847 284 Q CB -0.100 28.592 28.738 -0.077 0.000 0.915 284 Q HN 0.529 nan 8.270 nan 0.000 0.448 285 M N 1.365 120.722 119.600 -0.406 0.000 2.106 285 M HA -0.184 4.296 4.480 0.000 0.000 0.259 285 M C 2.064 178.134 176.300 -0.384 0.000 1.068 285 M CA 1.613 56.618 55.300 -0.490 0.000 1.100 285 M CB -0.218 32.264 32.600 -0.196 0.000 1.351 285 M HN 0.291 nan 8.290 nan 0.000 0.404 286 I N -1.824 118.584 120.570 -0.271 0.000 3.083 286 I HA -0.095 4.075 4.170 0.000 0.000 0.273 286 I C 1.598 177.583 176.117 -0.220 0.000 1.297 286 I CA 1.398 62.567 61.300 -0.218 0.000 1.452 286 I CB -1.012 36.903 38.000 -0.141 0.000 1.078 286 I HN 0.344 nan 8.210 nan 0.000 0.484 287 T N -2.434 111.966 114.554 -0.255 0.000 3.086 287 T HA 0.266 4.616 4.350 0.000 0.000 0.250 287 T C 1.551 176.080 174.700 -0.286 0.000 1.074 287 T CA -0.164 61.799 62.100 -0.230 0.000 0.988 287 T CB -0.032 68.723 68.868 -0.189 0.000 0.988 287 T HN 0.422 nan 8.240 nan 0.000 0.530 288 R N 0.824 121.093 120.500 -0.385 0.000 2.476 288 R HA 0.311 4.651 4.340 0.000 0.000 0.276 288 R C -0.048 175.927 176.300 -0.542 0.000 0.941 288 R CA 0.047 55.888 56.100 -0.432 0.000 1.088 288 R CB 1.355 31.338 30.300 -0.530 0.000 1.216 288 R HN 0.431 nan 8.270 nan 0.000 0.533 289 V N -0.479 119.092 119.914 -0.572 0.000 2.384 289 V HA 0.452 4.572 4.120 0.000 0.000 0.257 289 V C -2.646 173.074 176.094 -0.624 0.000 0.969 289 V CA -2.334 59.499 62.300 -0.778 0.000 0.910 289 V CB 0.570 31.902 31.823 -0.819 0.000 1.150 289 V HN -0.119 nan 8.190 nan 0.000 0.481 290 P HA 0.440 nan 4.420 nan 0.000 0.274 290 P C -0.569 176.386 177.300 -0.575 0.000 1.246 290 P CA -0.267 62.484 63.100 -0.582 0.000 0.795 290 P CB 1.689 33.009 31.700 -0.633 0.000 1.006 291 L N 0.321 121.392 121.223 -0.253 0.000 2.375 291 L HA 0.567 4.907 4.340 0.000 0.000 0.268 291 L C 1.494 178.410 176.870 0.076 0.000 1.058 291 L CA -0.059 54.738 54.840 -0.073 0.000 0.803 291 L CB 0.410 42.467 42.059 -0.003 0.000 1.212 291 L HN 0.480 nan 8.230 nan 0.000 0.451 292 G N -0.119 108.767 108.800 0.143 0.000 2.553 292 G HA2 0.461 4.421 3.960 0.000 0.000 0.278 292 G HA3 0.461 4.421 3.960 0.000 0.000 0.278 292 G C -0.843 174.065 174.900 0.013 0.000 1.349 292 G CA -0.366 44.796 45.100 0.103 0.000 1.037 292 G HN 0.496 nan 8.290 nan 0.000 0.508 293 S N -1.504 114.170 115.700 -0.043 0.000 2.594 293 S HA 0.599 5.069 4.470 0.000 0.000 0.296 293 S C -1.117 173.466 174.600 -0.029 0.000 1.124 293 S CA -0.487 57.715 58.200 0.003 0.000 1.011 293 S CB 1.714 64.928 63.200 0.024 0.000 1.016 293 S HN 0.852 nan 8.310 nan 0.000 0.485 294 V N 4.639 124.588 119.914 0.058 0.000 3.077 294 V HA 0.580 4.700 4.120 0.000 0.000 0.299 294 V C -1.990 174.259 176.094 0.257 0.000 1.276 294 V CA -0.749 61.612 62.300 0.102 0.000 0.993 294 V CB 1.828 33.629 31.823 -0.037 0.000 1.076 294 V HN 0.884 nan 8.190 nan 0.000 0.434 295 I N 5.093 125.832 120.570 0.281 0.000 2.389 295 I HA 0.506 4.676 4.170 0.000 0.000 0.288 295 I C -0.231 176.136 176.117 0.417 0.000 0.999 295 I CA -0.636 60.849 61.300 0.308 0.000 1.129 295 I CB 1.712 39.831 38.000 0.199 0.000 1.288 295 I HN 0.533 nan 8.210 nan 0.000 0.444 296 K N 5.976 126.662 120.400 0.476 0.000 2.248 296 K HA 0.545 4.865 4.320 0.000 0.000 0.281 296 K C -1.390 175.334 176.600 0.206 0.000 1.054 296 K CA -0.263 56.281 56.287 0.428 0.000 0.903 296 K CB 0.850 33.672 32.500 0.536 0.000 1.077 296 K HN 0.683 nan 8.250 nan 0.000 0.474 297 C N 5.216 124.588 119.300 0.121 0.000 2.498 297 C HA 0.579 5.039 4.460 0.000 0.000 0.316 297 C C -0.842 174.181 174.990 0.054 0.000 1.209 297 C CA -1.021 58.051 59.018 0.090 0.000 1.518 297 C CB 0.244 28.151 27.740 0.278 0.000 2.147 297 C HN 0.752 nan 8.230 nan 0.000 0.483 298 I N 2.980 123.528 120.570 -0.036 0.000 2.439 298 I HA 0.412 4.582 4.170 0.000 0.000 0.285 298 I C -0.372 175.736 176.117 -0.015 0.000 1.021 298 I CA -0.076 61.172 61.300 -0.086 0.000 1.091 298 I CB 1.540 39.452 38.000 -0.147 0.000 1.242 298 I HN 0.344 nan 8.210 nan 0.000 0.439 299 V N 6.816 126.743 119.914 0.021 0.000 2.398 299 V HA 0.385 4.505 4.120 0.000 0.000 0.286 299 V C -0.624 175.315 176.094 -0.258 0.000 1.026 299 V CA -0.695 61.640 62.300 0.059 0.000 0.868 299 V CB 0.920 32.819 31.823 0.127 0.000 0.982 299 V HN 0.398 nan 8.190 nan 0.000 0.443 300 Y N 4.158 124.421 120.300 -0.062 0.000 2.352 300 Y HA 0.656 5.206 4.550 0.000 0.000 0.326 300 Y C -0.230 175.533 175.900 -0.227 0.000 1.166 300 Y CA -0.323 57.790 58.100 0.021 0.000 1.182 300 Y CB 1.274 39.837 38.460 0.171 0.000 1.216 300 Y HN 0.528 nan 8.280 nan 0.000 0.474 301 Y N -0.220 120.331 120.300 0.419 0.000 2.605 301 Y HA 0.278 4.828 4.550 0.000 0.000 0.343 301 Y C 1.114 177.160 175.900 0.244 0.000 1.036 301 Y CA -1.416 56.901 58.100 0.362 0.000 1.065 301 Y CB 1.843 40.610 38.460 0.511 0.000 1.288 301 Y HN 0.494 nan 8.280 nan 0.000 0.481 302 K N 0.331 120.954 120.400 0.371 0.000 2.097 302 K HA -0.054 4.266 4.320 0.000 0.000 0.206 302 K C -0.559 176.116 176.600 0.124 0.000 1.049 302 K CA 1.641 58.036 56.287 0.181 0.000 0.933 302 K CB 0.214 32.793 32.500 0.131 0.000 0.717 302 K HN 0.722 nan 8.250 nan 0.000 0.442 303 E N -0.738 119.552 120.200 0.150 0.000 2.408 303 E HA 0.207 4.557 4.350 0.000 0.000 0.275 303 E C -2.695 173.766 176.600 -0.231 0.000 0.935 303 E CA -2.301 54.088 56.400 -0.018 0.000 0.775 303 E CB 2.306 31.991 29.700 -0.026 0.000 1.277 303 E HN -0.058 nan 8.360 nan 0.000 0.455 304 P HA 0.060 nan 4.420 nan 0.000 0.231 304 P C 0.262 176.646 177.300 -1.527 0.000 1.811 304 P CA -0.102 62.043 63.100 -1.593 0.000 1.051 304 P CB -0.884 30.193 31.700 -1.038 0.000 1.951 305 F N 0.264 119.651 119.950 -0.939 0.000 2.250 305 F HA -0.122 4.405 4.527 0.000 0.000 0.301 305 F C 1.703 177.347 175.800 -0.261 0.000 1.077 305 F CA 0.105 57.856 58.000 -0.415 0.000 1.348 305 F CB -1.672 37.208 39.000 -0.201 0.000 1.040 305 F HN 0.131 nan 8.300 nan 0.000 0.509 306 W N 1.237 122.152 121.300 -0.641 0.000 2.392 306 W HA 0.074 4.734 4.660 0.000 0.000 0.279 306 W C 2.019 178.478 176.519 -0.100 0.000 1.225 306 W CA 0.753 57.943 57.345 -0.258 0.000 1.233 306 W CB -1.096 28.137 29.460 -0.380 0.000 1.122 306 W HN -0.140 nan 8.180 nan 0.000 0.561 307 R N 1.174 121.448 120.500 -0.377 0.000 2.120 307 R HA -0.074 4.266 4.340 0.000 0.000 0.234 307 R C 1.968 178.188 176.300 -0.134 0.000 1.123 307 R CA 1.637 57.626 56.100 -0.184 0.000 0.975 307 R CB -0.398 29.724 30.300 -0.295 0.000 0.866 307 R HN 0.258 nan 8.270 nan 0.000 0.446 308 K N 0.544 120.859 120.400 -0.142 0.000 2.283 308 K HA -0.083 4.237 4.320 0.000 0.000 0.202 308 K C 1.323 177.862 176.600 -0.103 0.000 1.048 308 K CA 0.946 57.176 56.287 -0.094 0.000 0.948 308 K CB 0.150 32.613 32.500 -0.062 0.000 0.742 308 K HN 0.086 nan 8.250 nan 0.000 0.458 309 K N 0.646 120.962 120.400 -0.140 0.000 2.387 309 K HA -0.026 4.294 4.320 0.000 0.000 0.198 309 K C -0.502 175.780 176.600 -0.530 0.000 1.022 309 K CA 0.114 56.211 56.287 -0.316 0.000 1.128 309 K CB 0.392 32.693 32.500 -0.332 0.000 0.853 309 K HN 0.001 nan 8.250 nan 0.000 0.523 310 D N 0.271 120.500 120.400 -0.286 0.000 2.746 310 D HA -0.212 4.428 4.640 0.000 0.000 0.236 310 D C -1.427 174.784 176.300 -0.149 0.000 1.129 310 D CA 0.881 54.764 54.000 -0.194 0.000 0.691 310 D CB -1.441 39.263 40.800 -0.159 0.000 1.077 310 D HN 0.332 nan 8.370 nan 0.000 0.432 311 Y N -0.867 119.470 120.300 0.063 0.000 2.393 311 Y HA 0.322 4.872 4.550 0.000 0.000 0.341 311 Y C 1.950 177.924 175.900 0.123 0.000 0.988 311 Y CA -0.978 57.159 58.100 0.062 0.000 1.078 311 Y CB 1.361 39.866 38.460 0.074 0.000 1.203 311 Y HN 0.264 nan 8.280 nan 0.000 0.453 312 C N -0.967 118.456 119.300 0.205 0.000 2.562 312 C HA 0.456 4.916 4.460 0.000 0.000 0.266 312 C C 1.683 176.720 174.990 0.077 0.000 1.382 312 C CA 0.408 59.521 59.018 0.158 0.000 1.742 312 C CB -1.078 26.678 27.740 0.028 0.000 1.812 312 C HN 1.239 nan 8.230 nan 0.000 0.559 313 G N -0.041 108.647 108.800 -0.187 0.000 2.218 313 G HA2 -0.159 3.801 3.960 0.000 0.000 0.216 313 G HA3 -0.159 3.801 3.960 0.000 0.000 0.216 313 G C 0.043 174.604 174.900 -0.565 0.000 0.994 313 G CA 0.219 44.885 45.100 -0.723 0.000 0.637 313 G HN 0.572 nan 8.290 nan 0.000 0.505 314 T N 2.305 116.629 114.554 -0.383 0.000 2.761 314 T HA 0.640 4.990 4.350 0.000 0.000 0.296 314 T C 0.272 174.771 174.700 -0.334 0.000 0.934 314 T CA 0.533 62.387 62.100 -0.409 0.000 1.091 314 T CB 0.785 69.475 68.868 -0.297 0.000 0.896 314 T HN 0.295 nan 8.240 nan 0.000 0.515 315 M N 4.175 123.554 119.600 -0.368 0.000 2.263 315 M HA 0.478 4.958 4.480 0.000 0.000 0.295 315 M C -0.909 175.410 176.300 0.031 0.000 1.028 315 M CA -0.565 54.647 55.300 -0.147 0.000 0.921 315 M CB 2.234 34.707 32.600 -0.211 0.000 1.601 315 M HN 0.406 nan 8.290 nan 0.000 0.440 316 I N 4.843 125.591 120.570 0.297 0.000 2.328 316 I HA 0.438 4.608 4.170 0.000 0.000 0.287 316 I C -0.776 175.611 176.117 0.450 0.000 1.012 316 I CA -0.309 61.276 61.300 0.475 0.000 1.195 316 I CB 0.835 39.156 38.000 0.535 0.000 1.350 316 I HN 0.609 nan 8.210 nan 0.000 0.464 317 I N 5.368 126.158 120.570 0.367 0.000 2.420 317 I HA 0.281 4.452 4.170 0.000 0.000 0.282 317 I C -0.412 175.882 176.117 0.295 0.000 1.019 317 I CA -0.539 60.950 61.300 0.314 0.000 1.130 317 I CB 1.350 39.474 38.000 0.205 0.000 1.262 317 I HN 0.447 nan 8.210 nan 0.000 0.454 318 D N 4.438 125.012 120.400 0.290 0.000 2.312 318 D HA 0.694 5.334 4.640 0.000 0.000 0.248 318 D C 0.132 176.548 176.300 0.194 0.000 1.086 318 D CA 0.468 54.605 54.000 0.228 0.000 0.948 318 D CB 1.884 42.804 40.800 0.200 0.000 1.162 318 D HN 0.803 nan 8.370 nan 0.000 0.446 319 G N 1.853 110.746 108.800 0.155 0.000 2.697 319 G HA2 -0.100 3.860 3.960 0.000 0.000 0.684 319 G HA3 -0.100 3.860 3.960 0.000 0.000 0.684 319 G C 0.393 175.369 174.900 0.126 0.000 1.274 319 G CA 0.060 45.237 45.100 0.129 0.000 0.806 319 G HN 0.421 nan 8.290 nan 0.000 0.644 320 E N 0.347 120.615 120.200 0.113 0.000 2.204 320 E HA -0.108 4.242 4.350 0.000 0.000 0.195 320 E C 2.264 178.927 176.600 0.105 0.000 0.990 320 E CA 2.347 58.824 56.400 0.128 0.000 0.821 320 E CB 0.015 29.787 29.700 0.120 0.000 0.750 320 E HN 0.805 nan 8.360 nan 0.000 0.477 321 E N -0.396 119.856 120.200 0.088 0.000 2.371 321 E HA 0.091 4.441 4.350 0.000 0.000 0.194 321 E C 0.316 176.950 176.600 0.056 0.000 1.012 321 E CA 0.449 56.889 56.400 0.067 0.000 0.860 321 E CB -0.034 29.700 29.700 0.057 0.000 0.811 321 E HN 0.187 nan 8.360 nan 0.000 0.502 322 A N 2.910 125.774 122.820 0.073 0.000 2.454 322 A HA 0.177 4.498 4.320 0.000 0.000 0.260 322 A C -1.471 176.141 177.584 0.046 0.000 1.106 322 A CA -1.330 50.743 52.037 0.059 0.000 0.780 322 A CB 0.343 19.402 19.000 0.098 0.000 1.044 322 A HN 0.099 nan 8.150 nan 0.000 0.498 323 P HA -0.011 nan 4.420 nan 0.000 0.220 323 P C 0.223 177.556 177.300 0.056 0.000 1.152 323 P CA 0.837 63.945 63.100 0.013 0.000 0.812 323 P CB 0.119 31.809 31.700 -0.016 0.000 0.792 324 V N 0.145 120.112 119.914 0.088 0.000 2.459 324 V HA 0.488 4.608 4.120 0.000 0.000 0.295 324 V C 1.078 177.294 176.094 0.205 0.000 1.029 324 V CA -0.130 62.275 62.300 0.175 0.000 0.874 324 V CB 1.420 33.378 31.823 0.224 0.000 0.985 324 V HN -0.026 nan 8.190 nan 0.000 0.438 325 A N 4.320 127.291 122.820 0.252 0.000 2.252 325 A HA 0.361 4.681 4.320 0.000 0.000 0.213 325 A C 0.064 177.881 177.584 0.389 0.000 1.188 325 A CA 0.453 52.656 52.037 0.276 0.000 0.863 325 A CB 0.238 19.380 19.000 0.237 0.000 0.893 325 A HN 0.730 nan 8.150 nan 0.000 0.495 326 Y N 0.031 120.463 120.300 0.219 0.000 2.482 326 Y HA 0.483 5.033 4.550 0.000 0.000 0.334 326 Y C -0.396 175.564 175.900 0.101 0.000 1.091 326 Y CA -0.462 57.753 58.100 0.192 0.000 1.027 326 Y CB 1.626 40.251 38.460 0.275 0.000 1.306 326 Y HN 0.135 nan 8.280 nan 0.000 0.446 327 T N 3.833 118.067 114.554 -0.534 0.000 2.906 327 T HA 0.872 5.222 4.350 0.000 0.000 0.295 327 T C -1.516 172.730 174.700 -0.756 0.000 1.075 327 T CA -0.835 60.936 62.100 -0.548 0.000 1.005 327 T CB 1.852 70.387 68.868 -0.555 0.000 1.136 327 T HN 0.604 nan 8.240 nan 0.000 0.498 328 L N 0.910 121.824 121.223 -0.516 0.000 2.393 328 L HA 0.524 4.864 4.340 0.000 0.000 0.260 328 L C -0.725 175.947 176.870 -0.329 0.000 1.002 328 L CA -1.262 53.339 54.840 -0.398 0.000 0.818 328 L CB 2.229 44.136 42.059 -0.253 0.000 1.369 328 L HN 0.739 nan 8.230 nan 0.000 0.412 329 D N 0.719 120.971 120.400 -0.245 0.000 2.417 329 D HA -0.003 4.637 4.640 0.000 0.000 0.250 329 D C -0.344 175.973 176.300 0.028 0.000 1.166 329 D CA 0.502 54.433 54.000 -0.114 0.000 0.881 329 D CB 1.289 42.151 40.800 0.103 0.000 1.164 329 D HN 0.494 nan 8.370 nan 0.000 0.467 330 D N 1.842 122.267 120.400 0.041 0.000 2.501 330 D HA 0.084 4.724 4.640 0.000 0.000 0.224 330 D C -0.369 176.015 176.300 0.141 0.000 1.202 330 D CA -0.169 53.884 54.000 0.088 0.000 0.829 330 D CB 0.365 41.156 40.800 -0.015 0.000 1.023 330 D HN 0.231 nan 8.370 nan 0.000 0.499 331 T N 1.482 116.158 114.554 0.204 0.000 2.937 331 T HA 0.019 4.369 4.350 0.000 0.000 0.316 331 T C 0.604 175.376 174.700 0.121 0.000 1.079 331 T CA -0.071 62.144 62.100 0.192 0.000 1.131 331 T CB 0.809 69.791 68.868 0.190 0.000 1.000 331 T HN -0.057 nan 8.240 nan 0.000 0.549 332 K N 3.455 123.896 120.400 0.069 0.000 2.230 332 K HA 0.087 4.407 4.320 0.000 0.000 0.253 332 K C -1.451 175.050 176.600 -0.165 0.000 1.008 332 K CA -1.796 54.439 56.287 -0.086 0.000 0.910 332 K CB 0.074 32.548 32.500 -0.043 0.000 0.994 332 K HN 0.325 nan 8.250 nan 0.000 0.495 333 P HA -0.086 nan 4.420 nan 0.000 0.223 333 P C 0.289 177.508 177.300 -0.135 0.000 1.151 333 P CA 1.218 64.097 63.100 -0.369 0.000 0.787 333 P CB 0.328 31.658 31.700 -0.616 0.000 0.788 334 E N -0.878 119.267 120.200 -0.091 0.000 2.427 334 E HA 0.149 4.499 4.350 0.000 0.000 0.196 334 E C 1.564 178.157 176.600 -0.012 0.000 1.028 334 E CA 0.984 57.367 56.400 -0.027 0.000 0.864 334 E CB -0.750 28.955 29.700 0.009 0.000 0.813 334 E HN 0.289 nan 8.360 nan 0.000 0.514 335 G N 0.599 109.394 108.800 -0.009 0.000 2.179 335 G HA2 -0.258 3.702 3.960 0.000 0.000 0.220 335 G HA3 -0.258 3.702 3.960 0.000 0.000 0.220 335 G C 0.079 174.978 174.900 -0.002 0.000 0.990 335 G CA 0.143 45.235 45.100 -0.014 0.000 0.646 335 G HN 0.347 nan 8.290 nan 0.000 0.517 336 N N -0.642 118.083 118.700 0.042 0.000 2.530 336 N HA 0.540 5.280 4.740 0.000 0.000 0.283 336 N C 0.484 176.101 175.510 0.178 0.000 1.238 336 N CA -0.872 52.191 53.050 0.021 0.000 0.971 336 N CB 0.045 38.488 38.487 -0.074 0.000 1.195 336 N HN 0.590 nan 8.380 nan 0.000 0.583 337 Y N -2.643 117.693 120.300 0.060 0.000 3.168 337 Y HA -0.164 4.386 4.550 0.000 0.000 0.207 337 Y C 0.647 176.695 175.900 0.246 0.000 1.280 337 Y CA 0.327 58.521 58.100 0.157 0.000 1.235 337 Y CB -2.322 36.196 38.460 0.096 0.000 1.370 337 Y HN 0.768 nan 8.280 nan 0.000 0.537 338 A N 0.353 123.338 122.820 0.274 0.000 2.561 338 A HA 0.594 4.914 4.320 0.000 0.000 0.234 338 A C 0.744 178.583 177.584 0.424 0.000 1.055 338 A CA 0.607 52.818 52.037 0.289 0.000 0.756 338 A CB 0.195 19.285 19.000 0.151 0.000 0.986 338 A HN 1.620 nan 8.150 nan 0.000 0.505 339 A N 1.819 124.909 122.820 0.450 0.000 2.594 339 A HA 0.591 4.911 4.320 0.000 0.000 0.296 339 A C -0.937 176.657 177.584 0.018 0.000 1.056 339 A CA -0.521 51.575 52.037 0.099 0.000 0.693 339 A CB 0.629 19.364 19.000 -0.440 0.000 1.278 339 A HN 0.829 nan 8.150 nan 0.000 0.408 340 I N 2.903 123.377 120.570 -0.160 0.000 2.378 340 I HA 0.386 4.556 4.170 0.000 0.000 0.291 340 I C 0.088 176.051 176.117 -0.256 0.000 0.992 340 I CA -0.495 60.567 61.300 -0.397 0.000 1.154 340 I CB 1.786 39.373 38.000 -0.689 0.000 1.315 340 I HN 0.700 nan 8.210 nan 0.000 0.448 341 M N 5.622 125.065 119.600 -0.262 0.000 2.188 341 M HA 0.561 5.041 4.480 0.000 0.000 0.357 341 M C -0.322 175.818 176.300 -0.267 0.000 1.204 341 M CA -0.077 55.093 55.300 -0.217 0.000 1.095 341 M CB 0.909 33.402 32.600 -0.178 0.000 1.604 341 M HN 0.717 nan 8.290 nan 0.000 0.464 342 G N 4.491 113.187 108.800 -0.173 0.000 2.620 342 G HA2 0.685 4.645 3.960 0.000 0.000 0.301 342 G HA3 0.685 4.645 3.960 0.000 0.000 0.301 342 G C -1.967 172.878 174.900 -0.090 0.000 1.347 342 G CA -0.534 44.519 45.100 -0.079 0.000 0.971 342 G HN 0.656 nan 8.290 nan 0.000 0.488 343 F N 0.542 120.634 119.950 0.236 0.000 2.436 343 F HA 0.507 5.034 4.527 0.000 0.000 0.340 343 F C 0.522 176.430 175.800 0.180 0.000 1.113 343 F CA -0.731 57.407 58.000 0.231 0.000 1.022 343 F CB 2.229 41.390 39.000 0.269 0.000 1.128 343 F HN 0.068 nan 8.300 nan 0.000 0.466 344 I N 5.130 125.919 120.570 0.365 0.000 2.304 344 I HA 0.282 4.452 4.170 0.000 0.000 0.291 344 I C -0.690 175.518 176.117 0.152 0.000 1.018 344 I CA -0.288 61.136 61.300 0.207 0.000 1.260 344 I CB 0.861 38.949 38.000 0.146 0.000 1.390 344 I HN 0.376 nan 8.210 nan 0.000 0.475 345 L N 6.407 127.676 121.223 0.078 0.000 2.334 345 L HA 0.725 5.065 4.340 0.000 0.000 0.276 345 L C 0.857 177.693 176.870 -0.056 0.000 1.014 345 L CA -0.216 54.630 54.840 0.010 0.000 0.815 345 L CB 1.619 43.691 42.059 0.020 0.000 1.268 345 L HN 0.921 nan 8.230 nan 0.000 0.428 346 A N 1.972 124.755 122.820 -0.063 0.000 5.382 346 A HA -0.355 3.965 4.320 0.000 0.000 0.307 346 A C 1.607 179.187 177.584 -0.006 0.000 1.937 346 A CA 1.376 53.386 52.037 -0.044 0.000 0.715 346 A CB -1.551 17.421 19.000 -0.047 0.000 1.293 346 A HN 1.087 nan 8.150 nan 0.000 0.374 347 H N 0.910 119.975 119.070 -0.008 0.000 2.457 347 H HA -0.057 4.499 4.556 0.000 0.000 0.297 347 H C 1.628 176.977 175.328 0.035 0.000 1.092 347 H CA 1.865 57.926 56.048 0.022 0.000 1.309 347 H CB -0.418 29.367 29.762 0.038 0.000 1.382 347 H HN 0.736 nan 8.280 nan 0.000 0.535 348 K N 0.745 120.814 120.400 -0.552 0.000 2.211 348 K HA 0.048 4.368 4.320 0.000 0.000 0.203 348 K C 2.559 179.104 176.600 -0.092 0.000 1.050 348 K CA 0.910 56.999 56.287 -0.329 0.000 0.945 348 K CB 0.033 32.343 32.500 -0.317 0.000 0.732 348 K HN 0.344 nan 8.250 nan 0.000 0.451 349 A N 1.454 124.248 122.820 -0.043 0.000 1.930 349 A HA -0.151 4.169 4.320 0.000 0.000 0.217 349 A C 2.052 179.653 177.584 0.029 0.000 1.175 349 A CA 1.301 53.351 52.037 0.023 0.000 0.627 349 A CB -0.235 18.794 19.000 0.048 0.000 0.815 349 A HN 0.115 nan 8.150 nan 0.000 0.443 350 R N -0.219 120.300 120.500 0.030 0.000 2.073 350 R HA -0.014 4.326 4.340 0.000 0.000 0.229 350 R C 2.276 178.601 176.300 0.042 0.000 1.120 350 R CA 1.641 57.768 56.100 0.044 0.000 0.967 350 R CB -0.323 30.015 30.300 0.064 0.000 0.862 350 R HN 0.616 nan 8.270 nan 0.000 0.436 351 K N 0.582 121.007 120.400 0.042 0.000 2.057 351 K HA -0.067 4.253 4.320 0.000 0.000 0.206 351 K C 1.376 177.994 176.600 0.029 0.000 1.050 351 K CA 1.270 57.585 56.287 0.047 0.000 0.935 351 K CB 0.042 32.584 32.500 0.069 0.000 0.715 351 K HN 0.154 nan 8.250 nan 0.000 0.439 352 L N 0.196 121.430 121.223 0.019 0.000 2.592 352 L HA 0.152 4.492 4.340 0.000 0.000 0.227 352 L C 2.073 178.961 176.870 0.030 0.000 1.127 352 L CA 0.082 54.935 54.840 0.021 0.000 0.884 352 L CB 0.091 42.160 42.059 0.017 0.000 1.065 352 L HN 0.176 nan 8.230 nan 0.000 0.457 353 A N 0.541 123.381 122.820 0.032 0.000 2.067 353 A HA -0.138 4.182 4.320 0.000 0.000 0.219 353 A C 2.345 179.944 177.584 0.025 0.000 1.158 353 A CA 0.964 53.020 52.037 0.033 0.000 0.661 353 A CB -0.309 18.709 19.000 0.031 0.000 0.801 353 A HN 0.352 nan 8.150 nan 0.000 0.452 354 R N -0.509 120.005 120.500 0.023 0.000 2.120 354 R HA 0.037 4.377 4.340 0.000 0.000 0.234 354 R C 0.266 176.575 176.300 0.016 0.000 1.123 354 R CA 0.333 56.444 56.100 0.018 0.000 0.975 354 R CB -0.526 29.784 30.300 0.018 0.000 0.866 354 R HN 0.436 nan 8.270 nan 0.000 0.446 355 L N 1.109 122.342 121.223 0.017 0.000 2.476 355 L HA 0.044 4.384 4.340 0.000 0.000 0.264 355 L C 1.106 177.987 176.870 0.019 0.000 1.224 355 L CA -0.248 54.600 54.840 0.014 0.000 0.821 355 L CB 0.276 42.340 42.059 0.010 0.000 1.101 355 L HN 0.192 nan 8.230 nan 0.000 0.488 356 T N -2.357 112.206 114.554 0.014 0.000 2.788 356 T HA 0.097 4.447 4.350 0.000 0.000 0.287 356 T C 0.908 175.630 174.700 0.037 0.000 1.007 356 T CA -0.648 61.466 62.100 0.022 0.000 1.005 356 T CB 1.206 70.082 68.868 0.014 0.000 1.012 356 T HN 0.658 nan 8.240 nan 0.000 0.530 357 K N 0.233 120.672 120.400 0.064 0.000 2.063 357 K HA -0.192 4.128 4.320 0.000 0.000 0.208 357 K C 2.007 178.643 176.600 0.059 0.000 1.048 357 K CA 1.815 58.181 56.287 0.133 0.000 0.928 357 K CB -0.209 32.385 32.500 0.157 0.000 0.713 357 K HN 0.683 nan 8.250 nan 0.000 0.442 358 E N 0.737 120.944 120.200 0.012 0.000 2.077 358 E HA -0.163 4.187 4.350 0.000 0.000 0.193 358 E C 1.801 178.349 176.600 -0.086 0.000 0.989 358 E CA 1.454 57.824 56.400 -0.050 0.000 0.800 358 E CB 0.012 29.698 29.700 -0.024 0.000 0.746 358 E HN 0.393 nan 8.360 nan 0.000 0.452 359 E N 0.204 120.374 120.200 -0.051 0.000 2.110 359 E HA -0.133 4.217 4.350 0.000 0.000 0.193 359 E C 2.130 178.677 176.600 -0.088 0.000 0.988 359 E CA 0.761 57.126 56.400 -0.058 0.000 0.804 359 E CB -0.017 29.666 29.700 -0.028 0.000 0.745 359 E HN 0.124 nan 8.360 nan 0.000 0.458 360 R N 0.244 120.698 120.500 -0.077 0.000 2.075 360 R HA -0.113 4.227 4.340 0.000 0.000 0.232 360 R C 2.477 178.619 176.300 -0.263 0.000 1.126 360 R CA 0.718 56.762 56.100 -0.094 0.000 0.963 360 R CB -0.322 29.993 30.300 0.025 0.000 0.858 360 R HN 0.126 nan 8.270 nan 0.000 0.435 361 L N 1.810 122.751 121.223 -0.470 0.000 2.042 361 L HA -0.223 4.117 4.340 0.000 0.000 0.210 361 L C 2.190 178.834 176.870 -0.377 0.000 1.076 361 L CA 1.902 56.298 54.840 -0.740 0.000 0.749 361 L CB -0.399 41.151 42.059 -0.848 0.000 0.893 361 L HN -0.002 nan 8.230 nan 0.000 0.432 362 K N -0.872 119.384 120.400 -0.240 0.000 2.026 362 K HA -0.191 4.129 4.320 0.000 0.000 0.208 362 K C 2.076 178.584 176.600 -0.154 0.000 1.048 362 K CA 1.287 57.481 56.287 -0.155 0.000 0.929 362 K CB 0.010 32.449 32.500 -0.101 0.000 0.713 362 K HN 0.180 nan 8.250 nan 0.000 0.439 363 K N 0.608 120.914 120.400 -0.157 0.000 2.097 363 K HA -0.106 4.214 4.320 0.000 0.000 0.205 363 K C 2.107 178.568 176.600 -0.231 0.000 1.050 363 K CA 0.882 57.082 56.287 -0.145 0.000 0.938 363 K CB -0.335 32.101 32.500 -0.107 0.000 0.718 363 K HN 0.120 nan 8.250 nan 0.000 0.442 364 L N 0.663 121.694 121.223 -0.320 0.000 2.093 364 L HA -0.149 4.191 4.340 0.000 0.000 0.208 364 L C 2.485 178.920 176.870 -0.724 0.000 1.085 364 L CA 1.357 55.841 54.840 -0.594 0.000 0.755 364 L CB -0.809 40.925 42.059 -0.542 0.000 0.904 364 L HN 0.110 nan 8.230 nan 0.000 0.435 365 C N -0.853 118.240 119.300 -0.344 0.000 2.440 365 C HA -0.114 4.346 4.460 0.000 0.000 0.278 365 C C 2.612 177.569 174.990 -0.055 0.000 1.295 365 C CA 0.319 59.282 59.018 -0.091 0.000 1.738 365 C CB -0.693 27.052 27.740 0.009 0.000 1.987 365 C HN 0.545 nan 8.230 nan 0.000 0.492 366 E N 0.469 120.609 120.200 -0.101 0.000 2.077 366 E HA -0.226 4.124 4.350 0.000 0.000 0.193 366 E C 1.992 178.558 176.600 -0.057 0.000 0.989 366 E CA 1.013 57.380 56.400 -0.056 0.000 0.800 366 E CB -0.244 29.421 29.700 -0.057 0.000 0.746 366 E HN 0.510 nan 8.360 nan 0.000 0.452 367 L N 0.231 121.373 121.223 -0.136 0.000 2.017 367 L HA -0.189 4.151 4.340 0.000 0.000 0.208 367 L C 1.991 178.870 176.870 0.015 0.000 1.073 367 L CA 1.729 56.504 54.840 -0.108 0.000 0.745 367 L CB -0.563 41.389 42.059 -0.180 0.000 0.894 367 L HN 0.204 nan 8.230 nan 0.000 0.432 368 Y N -0.827 119.457 120.300 -0.028 0.000 2.242 368 Y HA -0.196 4.354 4.550 0.000 0.000 0.291 368 Y C 2.520 178.430 175.900 0.016 0.000 1.137 368 Y CA 0.235 58.321 58.100 -0.023 0.000 1.181 368 Y CB -0.450 38.038 38.460 0.047 0.000 0.989 368 Y HN 0.381 nan 8.280 nan 0.000 0.527 369 A N 0.666 123.600 122.820 0.189 0.000 1.902 369 A HA -0.242 4.078 4.320 0.000 0.000 0.217 369 A C 2.175 179.808 177.584 0.081 0.000 1.181 369 A CA 1.930 54.040 52.037 0.122 0.000 0.623 369 A CB -0.579 18.462 19.000 0.069 0.000 0.818 369 A HN 0.395 nan 8.150 nan 0.000 0.443 370 K N -0.312 120.114 120.400 0.043 0.000 2.057 370 K HA -0.071 4.249 4.320 0.000 0.000 0.206 370 K C 1.799 178.397 176.600 -0.004 0.000 1.050 370 K CA 1.548 57.849 56.287 0.024 0.000 0.935 370 K CB -0.228 32.275 32.500 0.005 0.000 0.715 370 K HN 0.233 nan 8.250 nan 0.000 0.439 371 V N 1.608 121.461 119.914 -0.102 0.000 2.358 371 V HA -0.204 3.916 4.120 0.000 0.000 0.246 371 V C 2.099 178.145 176.094 -0.079 0.000 1.047 371 V CA 1.449 63.642 62.300 -0.177 0.000 1.035 371 V CB -0.264 31.396 31.823 -0.271 0.000 0.658 371 V HN 0.324 nan 8.190 nan 0.000 0.452 372 L N 0.351 121.565 121.223 -0.014 0.000 2.591 372 L HA 0.298 4.638 4.340 0.000 0.000 0.228 372 L C 1.605 178.614 176.870 0.232 0.000 1.133 372 L CA 0.642 55.519 54.840 0.062 0.000 0.880 372 L CB -0.601 41.580 42.059 0.203 0.000 1.033 372 L HN 0.544 nan 8.230 nan 0.000 0.450 373 G N 0.776 109.665 108.800 0.148 0.000 2.356 373 G HA2 -0.267 3.693 3.960 0.000 0.000 0.296 373 G HA3 -0.267 3.693 3.960 0.000 0.000 0.296 373 G C -0.005 174.977 174.900 0.137 0.000 1.022 373 G CA 0.514 45.696 45.100 0.135 0.000 0.961 373 G HN 0.339 nan 8.290 nan 0.000 0.510 374 S N -0.615 115.163 115.700 0.129 0.000 2.789 374 S HA 0.434 4.904 4.470 0.000 0.000 0.286 374 S C 1.302 175.880 174.600 -0.036 0.000 1.153 374 S CA -0.719 57.524 58.200 0.072 0.000 1.084 374 S CB 1.488 64.814 63.200 0.211 0.000 1.036 374 S HN 0.282 nan 8.310 nan 0.000 0.484 375 L N 2.065 123.249 121.223 -0.066 0.000 2.187 375 L HA -0.119 4.221 4.340 0.000 0.000 0.213 375 L C 2.530 179.293 176.870 -0.178 0.000 1.100 375 L CA 1.188 55.979 54.840 -0.082 0.000 0.765 375 L CB -0.193 41.831 42.059 -0.059 0.000 0.904 375 L HN 0.673 nan 8.230 nan 0.000 0.437 376 E N 0.463 120.435 120.200 -0.380 0.000 2.209 376 E HA -0.234 4.116 4.350 0.000 0.000 0.196 376 E C 2.151 178.371 176.600 -0.633 0.000 0.993 376 E CA 0.949 56.976 56.400 -0.621 0.000 0.819 376 E CB 0.031 29.044 29.700 -1.145 0.000 0.745 376 E HN 0.490 nan 8.360 nan 0.000 0.477 377 A N 0.297 122.813 122.820 -0.507 0.000 2.178 377 A HA -0.082 4.238 4.320 0.000 0.000 0.218 377 A C 1.784 179.546 177.584 0.298 0.000 1.157 377 A CA 0.656 52.720 52.037 0.044 0.000 0.689 377 A CB -0.313 18.873 19.000 0.310 0.000 0.787 377 A HN 0.295 nan 8.150 nan 0.000 0.465 378 L N -0.345 120.948 121.223 0.118 0.000 2.612 378 L HA 0.101 4.441 4.340 0.000 0.000 0.230 378 L C 0.137 177.086 176.870 0.131 0.000 1.140 378 L CA 0.048 54.955 54.840 0.112 0.000 0.896 378 L CB 0.002 42.083 42.059 0.037 0.000 1.065 378 L HN 0.181 nan 8.230 nan 0.000 0.447 379 E N 1.127 121.459 120.200 0.221 0.000 3.351 379 E HA 0.264 4.614 4.350 0.000 0.000 0.220 379 E C -2.259 174.512 176.600 0.285 0.000 1.150 379 E CA -1.719 54.800 56.400 0.198 0.000 1.359 379 E CB 0.237 30.011 29.700 0.124 0.000 1.365 379 E HN 0.146 nan 8.360 nan 0.000 0.434 380 P HA 0.011 nan 4.420 nan 0.000 0.272 380 P C 1.042 178.360 177.300 0.029 0.000 1.223 380 P CA -0.092 62.942 63.100 -0.111 0.000 0.784 380 P CB 1.428 33.030 31.700 -0.162 0.000 0.923 381 V N -2.334 117.618 119.914 0.063 0.000 3.661 381 V HA 0.357 4.477 4.120 0.000 0.000 0.271 381 V C 0.394 176.618 176.094 0.217 0.000 1.315 381 V CA 0.623 63.004 62.300 0.135 0.000 1.072 381 V CB -1.194 30.715 31.823 0.143 0.000 0.830 381 V HN 0.710 nan 8.190 nan 0.000 0.443 382 H N -1.093 118.049 119.070 0.120 0.000 2.969 382 H HA 0.594 5.150 4.556 0.000 0.000 0.304 382 H C -2.364 173.192 175.328 0.379 0.000 1.400 382 H CA -0.616 55.525 56.048 0.155 0.000 1.182 382 H CB 1.716 31.467 29.762 -0.018 0.000 1.865 382 H HN 0.152 nan 8.280 nan 0.000 0.512 383 Y N 1.541 121.539 120.300 -0.503 0.000 2.482 383 Y HA 0.528 5.078 4.550 0.000 0.000 0.334 383 Y C -1.725 174.061 175.900 -0.189 0.000 1.091 383 Y CA -0.636 57.390 58.100 -0.124 0.000 1.027 383 Y CB 1.769 40.154 38.460 -0.125 0.000 1.306 383 Y HN 0.641 nan 8.280 nan 0.000 0.446 384 E N 4.164 124.114 120.200 -0.418 0.000 2.317 384 E HA 0.430 4.780 4.350 0.000 0.000 0.270 384 E C -1.426 174.799 176.600 -0.626 0.000 0.885 384 E CA -0.768 55.402 56.400 -0.383 0.000 0.760 384 E CB 2.776 32.488 29.700 0.020 0.000 1.227 384 E HN 0.780 nan 8.360 nan 0.000 0.434 385 E N 0.270 120.229 120.200 -0.401 0.000 2.430 385 E HA 0.702 5.052 4.350 0.000 0.000 0.279 385 E C -1.209 175.356 176.600 -0.059 0.000 1.003 385 E CA -1.071 55.189 56.400 -0.233 0.000 0.801 385 E CB 2.207 31.750 29.700 -0.263 0.000 1.313 385 E HN 0.089 nan 8.360 nan 0.000 0.459 386 K N 1.184 121.599 120.400 0.026 0.000 2.581 386 K HA 0.309 4.629 4.320 0.000 0.000 0.249 386 K C -1.881 174.692 176.600 -0.046 0.000 0.966 386 K CA -0.590 55.651 56.287 -0.077 0.000 0.811 386 K CB 1.589 34.011 32.500 -0.129 0.000 1.223 386 K HN 0.538 nan 8.250 nan 0.000 0.438 387 N N 4.245 122.880 118.700 -0.108 0.000 2.469 387 N HA 0.118 4.858 4.740 0.000 0.000 0.239 387 N C -0.218 175.228 175.510 -0.106 0.000 1.053 387 N CA -0.298 52.747 53.050 -0.008 0.000 0.937 387 N CB 0.191 38.679 38.487 0.002 0.000 1.163 387 N HN 0.674 nan 8.380 nan 0.000 0.509 388 W N 2.154 123.500 121.300 0.076 0.000 2.825 388 W HA 0.028 4.688 4.660 0.000 0.000 0.243 388 W C 1.884 178.424 176.519 0.034 0.000 1.293 388 W CA -0.093 57.290 57.345 0.064 0.000 1.403 388 W CB -0.182 29.331 29.460 0.088 0.000 1.134 388 W HN 0.586 nan 8.180 nan 0.000 0.666 389 C N 0.297 119.700 119.300 0.172 0.000 2.437 389 C HA -0.142 4.318 4.460 0.000 0.000 0.283 389 C C 2.332 177.349 174.990 0.044 0.000 1.424 389 C CA 1.311 60.389 59.018 0.100 0.000 1.782 389 C CB -1.476 26.307 27.740 0.071 0.000 1.833 389 C HN 0.497 nan 8.230 nan 0.000 0.532 390 E N 0.843 121.044 120.200 0.003 0.000 2.489 390 E HA 0.006 4.356 4.350 0.000 0.000 0.193 390 E C -0.126 176.443 176.600 -0.053 0.000 1.057 390 E CA 0.343 56.721 56.400 -0.037 0.000 0.866 390 E CB -0.127 29.536 29.700 -0.061 0.000 0.916 390 E HN 0.503 nan 8.360 nan 0.000 0.500 391 E N 2.064 122.252 120.200 -0.020 0.000 2.152 391 E HA -0.006 4.344 4.350 0.000 0.000 0.285 391 E C 0.410 176.990 176.600 -0.033 0.000 1.043 391 E CA -0.032 56.359 56.400 -0.014 0.000 0.839 391 E CB 1.634 31.388 29.700 0.090 0.000 1.069 391 E HN 0.338 nan 8.360 nan 0.000 0.399 392 Q N 2.990 122.703 119.800 -0.145 0.000 2.124 392 Q HA -0.177 4.163 4.340 0.000 0.000 0.202 392 Q C 0.419 176.183 176.000 -0.393 0.000 0.977 392 Q CA 1.578 57.174 55.803 -0.345 0.000 0.850 392 Q CB 0.097 28.473 28.738 -0.604 0.000 0.901 392 Q HN 0.606 nan 8.270 nan 0.000 0.429 393 Y N -0.862 119.464 120.300 0.045 0.000 2.493 393 Y HA 0.232 4.782 4.550 0.000 0.000 0.275 393 Y C 1.477 177.437 175.900 0.100 0.000 1.183 393 Y CA -0.315 57.821 58.100 0.060 0.000 1.258 393 Y CB 0.866 39.353 38.460 0.045 0.000 1.108 393 Y HN 0.088 nan 8.280 nan 0.000 0.521 394 S N -1.662 114.166 115.700 0.213 0.000 2.931 394 S HA 0.288 4.758 4.470 0.000 0.000 0.251 394 S C 1.824 176.508 174.600 0.139 0.000 1.078 394 S CA 0.547 58.879 58.200 0.220 0.000 0.835 394 S CB 0.630 64.047 63.200 0.363 0.000 0.798 394 S HN 0.526 nan 8.310 nan 0.000 0.495 395 G N 1.003 109.866 108.800 0.105 0.000 2.217 395 G HA2 0.102 4.062 3.960 0.000 0.000 0.246 395 G HA3 0.102 4.062 3.960 0.000 0.000 0.246 395 G C 0.485 175.429 174.900 0.074 0.000 0.990 395 G CA 0.040 45.169 45.100 0.050 0.000 0.627 395 G HN 1.391 nan 8.290 nan 0.000 0.522 396 G N -2.323 106.564 108.800 0.144 0.000 2.362 396 G HA2 0.520 4.480 3.960 0.000 0.000 0.288 396 G HA3 0.520 4.480 3.960 0.000 0.000 0.288 396 G C -0.952 174.038 174.900 0.150 0.000 1.305 396 G CA 0.317 45.510 45.100 0.154 0.000 0.910 396 G HN 1.472 nan 8.290 nan 0.000 0.518 397 C N -1.717 117.622 119.300 0.064 0.000 3.311 397 C HA 0.584 5.044 4.460 0.000 0.000 0.325 397 C C 0.892 175.733 174.990 -0.248 0.000 1.352 397 C CA -0.626 58.353 59.018 -0.065 0.000 1.308 397 C CB 0.738 28.346 27.740 -0.219 0.000 1.619 397 C HN 0.742 nan 8.230 nan 0.000 0.469 398 Y N 0.581 120.812 120.300 -0.114 0.000 2.314 398 Y HA 0.188 4.738 4.550 0.000 0.000 0.293 398 Y C 1.585 177.452 175.900 -0.056 0.000 1.129 398 Y CA 1.359 59.365 58.100 -0.157 0.000 1.201 398 Y CB -0.441 37.899 38.460 -0.200 0.000 0.999 398 Y HN 0.692 nan 8.280 nan 0.000 0.541 399 T N -2.023 112.617 114.554 0.143 0.000 2.665 399 T HA 0.344 4.694 4.350 0.000 0.000 0.303 399 T C -0.830 173.974 174.700 0.173 0.000 1.334 399 T CA -0.715 61.508 62.100 0.206 0.000 1.011 399 T CB 1.107 70.190 68.868 0.359 0.000 1.573 399 T HN -0.153 nan 8.240 nan 0.000 0.492 400 T N 2.565 117.235 114.554 0.193 0.000 2.832 400 T HA 0.503 4.853 4.350 0.000 0.000 0.296 400 T C -0.844 173.870 174.700 0.023 0.000 0.968 400 T CA -0.008 62.107 62.100 0.026 0.000 1.107 400 T CB -0.337 68.549 68.868 0.031 0.000 0.916 400 T HN 0.462 nan 8.240 nan 0.000 0.517 401 Y N 1.128 121.215 120.300 -0.355 0.000 2.496 401 Y HA 0.801 5.351 4.550 0.000 0.000 0.331 401 Y C -1.239 174.108 175.900 -0.921 0.000 1.140 401 Y CA -2.183 55.358 58.100 -0.931 0.000 1.166 401 Y CB 0.735 38.740 38.460 -0.758 0.000 1.249 401 Y HN 0.403 nan 8.280 nan 0.000 0.479 402 F N 3.067 122.247 119.950 -1.282 0.000 2.426 402 F HA 0.586 5.113 4.527 0.000 0.000 0.348 402 F C -2.289 173.436 175.800 -0.126 0.000 1.124 402 F CA -2.624 55.030 58.000 -0.576 0.000 1.008 402 F CB 1.651 40.364 39.000 -0.478 0.000 1.139 402 F HN 0.369 nan 8.300 nan 0.000 0.452 403 P HA 0.172 nan 4.420 nan 0.000 0.275 403 P C -2.582 174.837 177.300 0.199 0.000 1.266 403 P CA -1.250 61.956 63.100 0.176 0.000 0.793 403 P CB -0.049 31.702 31.700 0.086 0.000 1.074 404 P HA -0.004 nan 4.420 nan 0.000 0.265 404 P C 0.901 178.307 177.300 0.176 0.000 1.193 404 P CA 1.218 64.433 63.100 0.192 0.000 0.765 404 P CB -0.097 31.696 31.700 0.155 0.000 0.823 405 G N 2.488 111.406 108.800 0.197 0.000 2.199 405 G HA2 -0.266 3.694 3.960 0.000 0.000 0.254 405 G HA3 -0.266 3.694 3.960 0.000 0.000 0.254 405 G C 0.765 175.795 174.900 0.217 0.000 0.982 405 G CA 0.075 45.280 45.100 0.175 0.000 0.632 405 G HN 0.446 nan 8.290 nan 0.000 0.529 406 I N -0.037 120.698 120.570 0.275 0.000 2.731 406 I HA 0.192 4.362 4.170 0.000 0.000 0.260 406 I C 2.563 178.950 176.117 0.450 0.000 1.138 406 I CA 1.142 62.665 61.300 0.371 0.000 1.461 406 I CB -1.018 37.125 38.000 0.239 0.000 1.128 406 I HN 0.270 nan 8.210 nan 0.000 0.438 407 L N 1.243 122.709 121.223 0.406 0.000 2.083 407 L HA -0.183 4.157 4.340 0.000 0.000 0.209 407 L C 2.567 179.525 176.870 0.146 0.000 1.083 407 L CA 2.409 57.345 54.840 0.160 0.000 0.752 407 L CB -0.895 41.133 42.059 -0.052 0.000 0.899 407 L HN 0.397 nan 8.230 nan 0.000 0.433 408 T N -4.290 110.360 114.554 0.160 0.000 2.904 408 T HA -0.124 4.226 4.350 0.000 0.000 0.267 408 T C 1.807 176.477 174.700 -0.049 0.000 1.059 408 T CA 0.862 63.028 62.100 0.109 0.000 1.137 408 T CB -0.318 68.616 68.868 0.110 0.000 0.879 408 T HN 0.356 nan 8.240 nan 0.000 0.467 409 Q N -0.149 119.620 119.800 -0.051 0.000 2.212 409 Q HA 0.111 4.451 4.340 0.000 0.000 0.199 409 Q C 1.031 176.704 176.000 -0.545 0.000 0.950 409 Q CA 1.163 56.783 55.803 -0.304 0.000 0.863 409 Q CB 0.027 28.573 28.738 -0.319 0.000 0.944 409 Q HN 0.763 nan 8.270 nan 0.000 0.465 410 Y N -1.832 118.409 120.300 -0.097 0.000 2.499 410 Y HA 0.260 4.810 4.550 0.000 0.000 0.253 410 Y C 1.991 177.787 175.900 -0.173 0.000 1.105 410 Y CA 0.086 58.112 58.100 -0.123 0.000 1.240 410 Y CB 0.320 38.752 38.460 -0.046 0.000 1.289 410 Y HN 0.083 nan 8.280 nan 0.000 0.534 411 G N 0.607 109.354 108.800 -0.090 0.000 2.450 411 G HA2 -0.238 3.722 3.960 0.000 0.000 0.220 411 G HA3 -0.238 3.722 3.960 0.000 0.000 0.220 411 G C 1.641 176.120 174.900 -0.701 0.000 1.130 411 G CA 0.687 45.658 45.100 -0.215 0.000 0.760 411 G HN 0.279 nan 8.290 nan 0.000 0.557 412 R N -0.265 119.527 120.500 -1.181 0.000 2.159 412 R HA -0.044 4.296 4.340 0.000 0.000 0.237 412 R C 2.403 178.446 176.300 -0.430 0.000 1.131 412 R CA 1.324 56.739 56.100 -1.141 0.000 0.982 412 R CB -0.178 29.589 30.300 -0.888 0.000 0.868 412 R HN 0.483 nan 8.270 nan 0.000 0.453 413 V N -1.964 117.775 119.914 -0.292 0.000 3.647 413 V HA 0.085 4.205 4.120 0.000 0.000 0.279 413 V C 1.547 177.542 176.094 -0.166 0.000 1.314 413 V CA 0.228 62.419 62.300 -0.181 0.000 1.125 413 V CB 0.093 31.819 31.823 -0.161 0.000 0.907 413 V HN 0.065 nan 8.190 nan 0.000 0.434 414 L N 2.399 123.567 121.223 -0.092 0.000 2.079 414 L HA -0.028 4.312 4.340 0.000 0.000 0.210 414 L C 2.470 179.297 176.870 -0.072 0.000 1.081 414 L CA 2.531 57.338 54.840 -0.055 0.000 0.752 414 L CB -0.365 41.764 42.059 0.117 0.000 0.896 414 L HN 0.679 nan 8.230 nan 0.000 0.433 415 R N -1.184 119.360 120.500 0.073 0.000 2.577 415 R HA 0.197 4.537 4.340 0.000 0.000 0.344 415 R C 0.469 176.917 176.300 0.246 0.000 1.037 415 R CA -0.295 55.933 56.100 0.214 0.000 1.102 415 R CB -0.377 30.118 30.300 0.325 0.000 1.313 415 R HN 0.289 nan 8.270 nan 0.000 0.561 416 Q N 2.641 122.500 119.800 0.099 0.000 2.271 416 Q HA 0.196 4.536 4.340 0.000 0.000 0.273 416 Q C -2.091 174.018 176.000 0.182 0.000 1.051 416 Q CA -2.012 53.853 55.803 0.103 0.000 0.901 416 Q CB 0.816 29.554 28.738 -0.001 0.000 1.174 416 Q HN 0.040 nan 8.270 nan 0.000 0.385 417 P HA -0.051 nan 4.420 nan 0.000 0.267 417 P C -1.291 176.013 177.300 0.007 0.000 1.200 417 P CA -0.066 62.991 63.100 -0.071 0.000 0.772 417 P CB 0.670 32.059 31.700 -0.518 0.000 0.855 418 V N 3.330 123.263 119.914 0.031 0.000 2.275 418 V HA 0.153 4.273 4.120 0.000 0.000 0.272 418 V C 0.638 176.698 176.094 -0.057 0.000 1.028 418 V CA 0.161 62.474 62.300 0.022 0.000 0.810 418 V CB 0.041 31.925 31.823 0.102 0.000 1.043 418 V HN 0.798 nan 8.190 nan 0.000 0.453 419 D N 4.071 124.439 120.400 -0.054 0.000 4.438 419 D HA -0.301 4.339 4.640 0.000 0.000 0.158 419 D C 1.300 177.586 176.300 -0.024 0.000 0.686 419 D CA 2.375 56.362 54.000 -0.022 0.000 1.183 419 D CB -0.312 40.489 40.800 0.002 0.000 0.623 419 D HN 0.556 nan 8.370 nan 0.000 0.521 420 R N -0.131 120.380 120.500 0.019 0.000 2.509 420 R HA 0.466 4.806 4.340 0.000 0.000 0.300 420 R C -0.236 176.159 176.300 0.158 0.000 0.985 420 R CA -0.192 56.022 56.100 0.189 0.000 1.092 420 R CB 0.468 30.818 30.300 0.083 0.000 1.237 420 R HN 0.280 nan 8.270 nan 0.000 0.546 421 I N 1.155 121.656 120.570 -0.114 0.000 2.331 421 I HA 0.231 4.401 4.170 0.000 0.000 0.292 421 I C -0.582 175.172 176.117 -0.606 0.000 0.998 421 I CA -0.645 60.513 61.300 -0.236 0.000 1.267 421 I CB 0.755 38.602 38.000 -0.255 0.000 1.386 421 I HN -0.067 nan 8.210 nan 0.000 0.476 422 Y N 5.209 125.270 120.300 -0.399 0.000 2.528 422 Y HA 0.524 5.074 4.550 0.000 0.000 0.335 422 Y C -0.566 174.974 175.900 -0.601 0.000 1.093 422 Y CA -0.620 57.282 58.100 -0.331 0.000 1.134 422 Y CB 1.635 40.019 38.460 -0.126 0.000 1.253 422 Y HN 0.280 nan 8.280 nan 0.000 0.478 423 F N 1.396 121.455 119.950 0.182 0.000 2.427 423 F HA 0.685 5.212 4.527 0.000 0.000 0.348 423 F C 0.445 176.328 175.800 0.139 0.000 1.125 423 F CA -0.574 57.509 58.000 0.139 0.000 0.989 423 F CB 0.986 40.052 39.000 0.111 0.000 1.165 423 F HN 0.592 nan 8.300 nan 0.000 0.442 424 A N 2.398 125.352 122.820 0.225 0.000 3.179 424 A HA 0.936 5.256 4.320 0.000 0.000 0.213 424 A C 0.469 178.185 177.584 0.220 0.000 1.752 424 A CA -0.278 51.867 52.037 0.180 0.000 0.857 424 A CB -0.207 18.855 19.000 0.103 0.000 1.798 424 A HN 1.460 nan 8.150 nan 0.000 0.606 425 G N -2.708 106.201 108.800 0.181 0.000 2.719 425 G HA2 0.084 4.044 3.960 0.000 0.000 0.686 425 G HA3 0.084 4.044 3.960 0.000 0.000 0.686 425 G C 0.439 175.473 174.900 0.224 0.000 1.201 425 G CA 0.609 45.824 45.100 0.192 0.000 0.768 425 G HN 1.535 nan 8.290 nan 0.000 0.629 426 T N 0.090 114.777 114.554 0.222 0.000 2.803 426 T HA -0.104 4.246 4.350 0.000 0.000 0.269 426 T C 2.124 177.029 174.700 0.343 0.000 1.052 426 T CA 2.660 64.918 62.100 0.264 0.000 1.136 426 T CB -0.194 68.824 68.868 0.250 0.000 0.864 426 T HN 0.622 nan 8.240 nan 0.000 0.467 427 E N 0.548 120.958 120.200 0.350 0.000 2.267 427 E HA -0.071 4.279 4.350 0.000 0.000 0.197 427 E C 2.195 179.065 176.600 0.449 0.000 0.998 427 E CA 1.575 58.236 56.400 0.437 0.000 0.830 427 E CB -0.217 29.701 29.700 0.362 0.000 0.751 427 E HN 0.724 nan 8.360 nan 0.000 0.491 428 T N -2.737 112.043 114.554 0.377 0.000 3.086 428 T HA 0.477 4.827 4.350 0.000 0.000 0.250 428 T C 0.792 175.737 174.700 0.409 0.000 1.074 428 T CA -0.000 62.323 62.100 0.372 0.000 0.988 428 T CB 0.219 69.285 68.868 0.330 0.000 0.988 428 T HN 0.102 nan 8.240 nan 0.000 0.530 429 A N 1.839 124.903 122.820 0.407 0.000 2.406 429 A HA 0.517 4.837 4.320 0.000 0.000 0.243 429 A C 1.527 179.388 177.584 0.462 0.000 1.082 429 A CA 0.174 52.456 52.037 0.408 0.000 0.786 429 A CB 0.259 19.458 19.000 0.333 0.000 1.029 429 A HN 0.517 nan 8.150 nan 0.000 0.495 430 T N -2.341 112.462 114.554 0.414 0.000 3.054 430 T HA 0.243 4.593 4.350 0.000 0.000 0.255 430 T C 0.247 175.056 174.700 0.182 0.000 1.035 430 T CA 0.709 63.003 62.100 0.325 0.000 0.941 430 T CB -0.409 68.592 68.868 0.221 0.000 1.026 430 T HN 0.763 nan 8.240 nan 0.000 0.533 431 H N -1.158 117.945 119.070 0.054 0.000 3.017 431 H HA 0.280 4.836 4.556 0.000 0.000 0.340 431 H C -1.024 174.337 175.328 0.055 0.000 1.014 431 H CA -1.245 54.754 56.048 -0.081 0.000 1.341 431 H CB 0.936 30.710 29.762 0.020 0.000 1.739 431 H HN 0.287 nan 8.280 nan 0.000 0.506 432 W N 2.269 123.371 121.300 -0.330 0.000 5.950 432 W HA -0.253 4.407 4.660 0.000 0.000 0.383 432 W C 0.514 176.999 176.519 -0.057 0.000 1.418 432 W CA 0.912 58.003 57.345 -0.424 0.000 0.994 432 W CB -1.639 27.470 29.460 -0.585 0.000 2.552 432 W HN 0.382 nan 8.180 nan 0.000 1.551 433 S N 0.493 116.266 115.700 0.122 0.000 2.558 433 S HA 0.342 4.812 4.470 0.000 0.000 0.293 433 S C 1.432 176.287 174.600 0.426 0.000 1.292 433 S CA 1.799 60.179 58.200 0.300 0.000 1.063 433 S CB 0.634 64.066 63.200 0.386 0.000 0.831 433 S HN 1.445 nan 8.310 nan 0.000 0.499 434 G N 2.942 112.048 108.800 0.510 0.000 2.194 434 G HA2 -0.213 3.747 3.960 0.000 0.000 0.236 434 G HA3 -0.213 3.747 3.960 0.000 0.000 0.236 434 G C -0.206 174.792 174.900 0.163 0.000 0.987 434 G CA 0.357 45.739 45.100 0.469 0.000 0.635 434 G HN 0.686 nan 8.290 nan 0.000 0.520 435 Y N -0.725 119.696 120.300 0.202 0.000 2.621 435 Y HA 0.709 5.259 4.550 0.000 0.000 0.334 435 Y C 1.939 177.877 175.900 0.062 0.000 1.074 435 Y CA -0.798 57.362 58.100 0.100 0.000 1.149 435 Y CB 0.810 39.308 38.460 0.063 0.000 1.302 435 Y HN -0.037 nan 8.280 nan 0.000 0.501 436 M N -0.113 119.593 119.600 0.176 0.000 2.108 436 M HA -0.218 4.262 4.480 0.000 0.000 0.261 436 M C 1.853 178.209 176.300 0.093 0.000 1.066 436 M CA 2.069 57.435 55.300 0.111 0.000 1.107 436 M CB -0.252 32.405 32.600 0.096 0.000 1.356 436 M HN 0.794 nan 8.290 nan 0.000 0.406 437 E N 0.676 120.902 120.200 0.044 0.000 2.058 437 E HA -0.154 4.196 4.350 0.000 0.000 0.194 437 E C 1.954 178.607 176.600 0.087 0.000 0.997 437 E CA 2.091 58.477 56.400 -0.022 0.000 0.801 437 E CB -0.695 28.847 29.700 -0.264 0.000 0.746 437 E HN 0.432 nan 8.360 nan 0.000 0.450 438 G N 0.026 108.937 108.800 0.185 0.000 2.432 438 G HA2 -0.209 3.751 3.960 0.000 0.000 0.219 438 G HA3 -0.209 3.751 3.960 0.000 0.000 0.219 438 G C 1.704 176.721 174.900 0.195 0.000 1.135 438 G CA 1.114 46.352 45.100 0.231 0.000 0.767 438 G HN 0.476 nan 8.290 nan 0.000 0.550 439 A N 0.285 123.206 122.820 0.170 0.000 1.877 439 A HA 0.034 4.354 4.320 0.000 0.000 0.216 439 A C 2.617 180.261 177.584 0.100 0.000 1.186 439 A CA 1.944 54.062 52.037 0.136 0.000 0.620 439 A CB -0.699 18.368 19.000 0.111 0.000 0.822 439 A HN 0.265 nan 8.150 nan 0.000 0.443 440 V N 0.209 120.171 119.914 0.080 0.000 2.295 440 V HA -0.278 3.842 4.120 0.000 0.000 0.246 440 V C 2.551 178.680 176.094 0.058 0.000 1.049 440 V CA 2.265 64.597 62.300 0.053 0.000 1.024 440 V CB -0.817 31.029 31.823 0.037 0.000 0.648 440 V HN 0.756 nan 8.190 nan 0.000 0.447 441 E N 0.516 120.770 120.200 0.089 0.000 2.070 441 E HA -0.287 4.063 4.350 0.000 0.000 0.197 441 E C 2.210 178.848 176.600 0.063 0.000 1.004 441 E CA 1.832 58.294 56.400 0.102 0.000 0.805 441 E CB -0.194 29.615 29.700 0.181 0.000 0.744 441 E HN 0.554 nan 8.360 nan 0.000 0.451 442 A N 0.548 123.430 122.820 0.103 0.000 1.929 442 A HA -0.020 4.300 4.320 0.000 0.000 0.216 442 A C 2.382 179.987 177.584 0.034 0.000 1.176 442 A CA 1.538 53.626 52.037 0.084 0.000 0.628 442 A CB -0.866 18.234 19.000 0.167 0.000 0.816 442 A HN 0.447 nan 8.150 nan 0.000 0.444 443 G N -0.366 108.458 108.800 0.040 0.000 2.402 443 G HA2 -0.173 3.787 3.960 0.000 0.000 0.216 443 G HA3 -0.173 3.787 3.960 0.000 0.000 0.216 443 G C 1.437 176.320 174.900 -0.028 0.000 1.162 443 G CA 0.920 46.030 45.100 0.016 0.000 0.777 443 G HN 0.634 nan 8.290 nan 0.000 0.539 444 E N -0.200 119.978 120.200 -0.037 0.000 2.072 444 E HA -0.059 4.291 4.350 0.000 0.000 0.190 444 E C 2.578 179.098 176.600 -0.134 0.000 0.982 444 E CA 0.214 56.575 56.400 -0.066 0.000 0.803 444 E CB -0.102 29.573 29.700 -0.041 0.000 0.755 444 E HN 0.176 nan 8.360 nan 0.000 0.453 445 R N 1.276 121.660 120.500 -0.193 0.000 2.073 445 R HA -0.104 4.236 4.340 0.000 0.000 0.234 445 R C 2.105 178.224 176.300 -0.301 0.000 1.134 445 R CA 1.537 57.404 56.100 -0.389 0.000 0.952 445 R CB -0.373 29.510 30.300 -0.696 0.000 0.850 445 R HN 0.152 nan 8.270 nan 0.000 0.433 446 A N 0.774 123.495 122.820 -0.164 0.000 1.902 446 A HA -0.063 4.257 4.320 0.000 0.000 0.217 446 A C 2.423 179.899 177.584 -0.180 0.000 1.181 446 A CA 1.817 53.798 52.037 -0.093 0.000 0.623 446 A CB -0.717 18.290 19.000 0.011 0.000 0.818 446 A HN 0.505 nan 8.150 nan 0.000 0.443 447 A N -0.088 122.642 122.820 -0.150 0.000 1.902 447 A HA -0.184 4.136 4.320 0.000 0.000 0.217 447 A C 2.250 179.708 177.584 -0.211 0.000 1.181 447 A CA 1.574 53.513 52.037 -0.163 0.000 0.623 447 A CB -0.473 18.465 19.000 -0.103 0.000 0.818 447 A HN 0.554 nan 8.150 nan 0.000 0.443 448 R N -0.465 119.918 120.500 -0.196 0.000 2.115 448 R HA -0.083 4.257 4.340 0.000 0.000 0.230 448 R C 2.021 178.199 176.300 -0.204 0.000 1.111 448 R CA 1.234 57.227 56.100 -0.179 0.000 0.976 448 R CB -0.290 29.914 30.300 -0.161 0.000 0.870 448 R HN 0.678 nan 8.270 nan 0.000 0.445 449 E N 0.737 120.777 120.200 -0.267 0.000 2.085 449 E HA -0.202 4.148 4.350 0.000 0.000 0.194 449 E C 1.959 178.244 176.600 -0.525 0.000 0.994 449 E CA 1.169 57.397 56.400 -0.287 0.000 0.801 449 E CB -0.094 29.455 29.700 -0.251 0.000 0.743 449 E HN 0.342 nan 8.360 nan 0.000 0.453 450 I N 0.797 120.935 120.570 -0.719 0.000 2.202 450 I HA -0.264 3.906 4.170 0.000 0.000 0.242 450 I C 2.302 178.100 176.117 -0.532 0.000 1.091 450 I CA 0.804 61.581 61.300 -0.871 0.000 1.368 450 I CB -0.151 37.372 38.000 -0.796 0.000 1.058 450 I HN 0.110 nan 8.210 nan 0.000 0.410 451 L N -0.015 121.020 121.223 -0.314 0.000 2.043 451 L HA -0.300 4.040 4.340 0.000 0.000 0.212 451 L C 2.725 179.510 176.870 -0.140 0.000 1.075 451 L CA 1.721 56.450 54.840 -0.185 0.000 0.752 451 L CB -0.970 41.020 42.059 -0.115 0.000 0.891 451 L HN 0.359 nan 8.230 nan 0.000 0.432 452 H N 0.110 119.066 119.070 -0.190 0.000 2.353 452 H HA -0.137 4.419 4.556 0.000 0.000 0.300 452 H C 2.122 177.384 175.328 -0.109 0.000 1.090 452 H CA 1.525 57.501 56.048 -0.120 0.000 1.327 452 H CB 0.036 29.747 29.762 -0.085 0.000 1.383 452 H HN 0.275 nan 8.280 nan 0.000 0.508 453 A N 0.383 123.003 122.820 -0.332 0.000 1.978 453 A HA -0.154 4.166 4.320 0.000 0.000 0.220 453 A C 2.325 179.795 177.584 -0.190 0.000 1.170 453 A CA 1.790 53.661 52.037 -0.276 0.000 0.636 453 A CB -0.611 18.222 19.000 -0.278 0.000 0.810 453 A HN 0.568 nan 8.150 nan 0.000 0.448 454 M N -1.639 117.836 119.600 -0.209 0.000 2.595 454 M HA 0.151 4.631 4.480 0.000 0.000 0.248 454 M C 1.354 177.606 176.300 -0.081 0.000 1.119 454 M CA 0.826 56.081 55.300 -0.076 0.000 1.079 454 M CB 0.235 32.795 32.600 -0.067 0.000 1.472 454 M HN 0.634 nan 8.290 nan 0.000 0.501 455 G N 0.858 109.568 108.800 -0.151 0.000 2.141 455 G HA2 -0.252 3.708 3.960 0.000 0.000 0.242 455 G HA3 -0.252 3.708 3.960 0.000 0.000 0.242 455 G C 0.850 175.711 174.900 -0.066 0.000 0.982 455 G CA 0.368 45.397 45.100 -0.117 0.000 0.662 455 G HN 0.449 nan 8.290 nan 0.000 0.527 456 K N -0.368 119.994 120.400 -0.063 0.000 2.262 456 K HA 0.342 4.662 4.320 0.000 0.000 0.200 456 K C 1.363 177.957 176.600 -0.009 0.000 1.049 456 K CA 1.253 57.520 56.287 -0.034 0.000 0.979 456 K CB 0.330 32.804 32.500 -0.044 0.000 0.773 456 K HN 0.801 nan 8.250 nan 0.000 0.474 457 I N -1.736 118.844 120.570 0.016 0.000 2.865 457 I HA 0.478 4.648 4.170 0.000 0.000 0.302 457 I C -3.028 173.177 176.117 0.147 0.000 1.140 457 I CA -2.935 58.398 61.300 0.054 0.000 1.021 457 I CB 2.458 40.475 38.000 0.029 0.000 1.233 457 I HN -0.251 nan 8.210 nan 0.000 0.427 458 P HA 0.163 nan 4.420 nan 0.000 0.276 458 P C 0.146 177.498 177.300 0.087 0.000 1.261 458 P CA -0.067 63.127 63.100 0.156 0.000 0.800 458 P CB 1.161 32.907 31.700 0.078 0.000 1.066 459 E N 0.600 120.771 120.200 -0.049 0.000 2.110 459 E HA -0.203 4.147 4.350 0.000 0.000 0.193 459 E C 1.045 177.563 176.600 -0.137 0.000 0.988 459 E CA 1.337 57.497 56.400 -0.399 0.000 0.804 459 E CB -0.189 29.311 29.700 -0.334 0.000 0.745 459 E HN 0.472 nan 8.360 nan 0.000 0.458 460 D N -0.195 120.187 120.400 -0.031 0.000 2.392 460 D HA -0.156 4.484 4.640 0.000 0.000 0.228 460 D C 0.808 177.133 176.300 0.042 0.000 1.003 460 D CA 0.572 54.586 54.000 0.023 0.000 0.917 460 D CB -0.066 40.749 40.800 0.026 0.000 0.890 460 D HN 0.363 nan 8.370 nan 0.000 0.532 461 E N -0.090 120.121 120.200 0.017 0.000 2.481 461 E HA 0.149 4.499 4.350 0.000 0.000 0.198 461 E C 1.965 178.559 176.600 -0.010 0.000 1.027 461 E CA -0.313 56.098 56.400 0.018 0.000 0.900 461 E CB 0.428 30.136 29.700 0.012 0.000 0.993 461 E HN 0.304 nan 8.360 nan 0.000 0.482 462 I N 0.180 120.733 120.570 -0.028 0.000 2.142 462 I HA -0.195 3.975 4.170 0.000 0.000 0.240 462 I C 0.549 176.510 176.117 -0.261 0.000 1.078 462 I CA 1.233 62.448 61.300 -0.143 0.000 1.343 462 I CB 0.015 37.929 38.000 -0.144 0.000 1.046 462 I HN 0.093 nan 8.210 nan 0.000 0.405 463 W N 1.569 122.868 121.300 -0.001 0.000 2.361 463 W HA 0.482 5.142 4.660 0.000 0.000 0.309 463 W C 0.151 176.679 176.519 0.015 0.000 1.122 463 W CA -0.201 57.155 57.345 0.019 0.000 1.208 463 W CB 0.533 30.007 29.460 0.023 0.000 1.246 463 W HN -0.028 nan 8.180 nan 0.000 0.490 464 Q N 2.800 122.709 119.800 0.182 0.000 2.304 464 Q HA 0.415 4.755 4.340 0.000 0.000 0.270 464 Q C 0.024 176.100 176.000 0.127 0.000 1.035 464 Q CA -0.565 55.308 55.803 0.117 0.000 0.781 464 Q CB 1.696 30.465 28.738 0.052 0.000 1.261 464 Q HN 0.547 nan 8.270 nan 0.000 0.444 465 S N 2.552 118.316 115.700 0.105 0.000 2.584 465 S HA 0.224 4.694 4.470 0.000 0.000 0.270 465 S C -0.155 174.491 174.600 0.078 0.000 1.346 465 S CA -0.432 57.823 58.200 0.092 0.000 1.018 465 S CB 1.239 64.477 63.200 0.064 0.000 0.899 465 S HN 0.688 nan 8.310 nan 0.000 0.542 466 E N 1.055 121.303 120.200 0.080 0.000 2.199 466 E HA 0.573 4.923 4.350 0.000 0.000 0.265 466 E C -2.793 173.839 176.600 0.054 0.000 0.882 466 E CA -2.203 54.236 56.400 0.066 0.000 0.759 466 E CB 1.043 30.789 29.700 0.078 0.000 1.148 466 E HN 0.541 nan 8.360 nan 0.000 0.412 467 P HA 0.064 nan 4.420 nan 0.000 0.268 467 P C -0.772 176.547 177.300 0.031 0.000 1.205 467 P CA -0.149 62.970 63.100 0.031 0.000 0.771 467 P CB 0.506 32.220 31.700 0.024 0.000 0.858 468 E N 1.686 121.903 120.200 0.029 0.000 2.384 468 E HA 0.087 4.437 4.350 0.000 0.000 0.266 468 E C -0.057 176.552 176.600 0.016 0.000 1.012 468 E CA -0.294 56.121 56.400 0.026 0.000 0.901 468 E CB 0.406 30.120 29.700 0.023 0.000 0.967 468 E HN 0.376 nan 8.360 nan 0.000 0.435 469 S N 2.739 118.445 115.700 0.010 0.000 2.552 469 S HA -0.055 4.415 4.470 0.000 0.000 0.289 469 S C 1.025 175.628 174.600 0.004 0.000 1.304 469 S CA -0.049 58.154 58.200 0.005 0.000 1.063 469 S CB 0.801 63.997 63.200 -0.006 0.000 0.848 469 S HN 0.552 nan 8.310 nan 0.000 0.499 470 V N 1.536 121.454 119.914 0.006 0.000 3.506 470 V HA 0.188 4.308 4.120 0.000 0.000 0.263 470 V C 1.237 177.333 176.094 0.004 0.000 1.203 470 V CA 1.008 63.312 62.300 0.006 0.000 1.133 470 V CB -0.360 31.467 31.823 0.008 0.000 0.802 470 V HN 0.797 nan 8.190 nan 0.000 0.459 471 D N 1.129 121.531 120.400 0.003 0.000 2.271 471 D HA 0.116 4.756 4.640 0.000 0.000 0.206 471 D C 0.697 176.992 176.300 -0.009 0.000 0.967 471 D CA 1.055 55.056 54.000 0.002 0.000 0.867 471 D CB 1.035 41.840 40.800 0.008 0.000 0.960 471 D HN 0.502 nan 8.370 nan 0.000 0.509 472 V N 3.481 123.385 119.914 -0.017 0.000 2.384 472 V HA 0.200 4.320 4.120 0.000 0.000 0.257 472 V C -2.472 173.607 176.094 -0.025 0.000 0.969 472 V CA -1.264 61.016 62.300 -0.033 0.000 0.910 472 V CB 1.392 33.178 31.823 -0.061 0.000 1.150 472 V HN -0.073 nan 8.190 nan 0.000 0.481 473 P HA 0.425 nan 4.420 nan 0.000 0.277 473 P C -0.333 176.963 177.300 -0.007 0.000 1.240 473 P CA -0.026 63.071 63.100 -0.006 0.000 0.798 473 P CB 1.338 33.036 31.700 -0.002 0.000 0.979 474 A N 2.880 125.702 122.820 0.003 0.000 2.301 474 A HA 0.321 4.641 4.320 0.000 0.000 0.298 474 A C 0.237 177.824 177.584 0.005 0.000 1.185 474 A CA -0.505 51.536 52.037 0.007 0.000 0.830 474 A CB 0.129 19.145 19.000 0.026 0.000 1.112 474 A HN 0.451 nan 8.150 nan 0.000 0.508 475 Q N 2.554 122.355 119.800 0.001 0.000 2.299 475 Q HA 0.313 4.653 4.340 0.000 0.000 0.246 475 Q C -2.234 173.766 176.000 0.001 0.000 0.935 475 Q CA -1.657 54.146 55.803 -0.000 0.000 0.887 475 Q CB 0.685 29.421 28.738 -0.003 0.000 1.223 475 Q HN 0.564 nan 8.270 nan 0.000 0.439 476 P HA 0.126 nan 4.420 nan 0.000 0.269 476 P C -0.347 176.948 177.300 -0.008 0.000 1.215 476 P CA -0.128 62.969 63.100 -0.005 0.000 0.780 476 P CB 0.705 32.402 31.700 -0.006 0.000 0.898 477 I N 2.054 122.615 120.570 -0.014 0.000 2.325 477 I HA 0.194 4.364 4.170 0.000 0.000 0.291 477 I C 1.128 177.237 176.117 -0.014 0.000 1.019 477 I CA 0.004 61.295 61.300 -0.016 0.000 1.302 477 I CB 0.403 38.388 38.000 -0.025 0.000 1.401 477 I HN 0.389 nan 8.210 nan 0.000 0.485 478 T N 1.986 116.536 114.554 -0.006 0.000 2.912 478 T HA 0.801 5.151 4.350 0.000 0.000 0.288 478 T C 0.053 174.755 174.700 0.003 0.000 1.030 478 T CA -0.666 61.434 62.100 -0.001 0.000 1.020 478 T CB 2.238 71.112 68.868 0.009 0.000 1.056 478 T HN 0.652 nan 8.240 nan 0.000 0.480 479 T N -1.343 113.211 114.554 0.001 0.000 2.926 479 T HA 0.765 5.115 4.350 0.000 0.000 0.289 479 T C 0.191 174.906 174.700 0.025 0.000 1.054 479 T CA -0.740 61.361 62.100 0.002 0.000 1.015 479 T CB 1.327 70.174 68.868 -0.034 0.000 1.167 479 T HN 1.001 nan 8.240 nan 0.000 0.526 480 T N -0.936 113.642 114.554 0.039 0.000 2.927 480 T HA 0.444 4.794 4.350 0.000 0.000 0.281 480 T C 0.797 175.559 174.700 0.104 0.000 0.998 480 T CA -0.880 61.273 62.100 0.089 0.000 1.019 480 T CB 0.827 69.755 68.868 0.101 0.000 1.061 480 T HN 0.522 nan 8.240 nan 0.000 0.518 481 F N 0.824 120.804 119.950 0.050 0.000 2.120 481 F HA -0.068 4.459 4.527 0.000 0.000 0.300 481 F C 1.853 177.727 175.800 0.124 0.000 1.095 481 F CA 1.515 59.586 58.000 0.118 0.000 1.249 481 F CB -0.398 38.680 39.000 0.130 0.000 0.995 481 F HN 0.502 nan 8.300 nan 0.000 0.480 482 L N -0.278 121.042 121.223 0.162 0.000 2.072 482 L HA -0.164 4.176 4.340 0.000 0.000 0.205 482 L C 2.356 179.229 176.870 0.005 0.000 1.079 482 L CA 1.497 56.386 54.840 0.081 0.000 0.752 482 L CB -0.745 41.400 42.059 0.143 0.000 0.906 482 L HN 0.172 nan 8.230 nan 0.000 0.436 483 E N 0.088 120.298 120.200 0.018 0.000 2.085 483 E HA -0.236 4.114 4.350 0.000 0.000 0.194 483 E C 2.279 178.789 176.600 -0.151 0.000 0.994 483 E CA 1.131 57.517 56.400 -0.024 0.000 0.801 483 E CB -0.047 29.652 29.700 -0.000 0.000 0.743 483 E HN 0.430 nan 8.360 nan 0.000 0.453 484 R N -0.295 120.041 120.500 -0.272 0.000 2.092 484 R HA -0.069 4.271 4.340 0.000 0.000 0.231 484 R C 1.738 177.656 176.300 -0.637 0.000 1.119 484 R CA 1.072 56.863 56.100 -0.515 0.000 0.970 484 R CB -0.033 29.818 30.300 -0.748 0.000 0.864 484 R HN 0.297 nan 8.270 nan 0.000 0.440 485 H N -0.868 118.005 119.070 -0.328 0.000 3.046 485 H HA 0.226 4.782 4.556 0.000 0.000 0.262 485 H C 0.398 175.604 175.328 -0.203 0.000 1.044 485 H CA -0.246 55.597 56.048 -0.341 0.000 1.209 485 H CB 0.465 29.839 29.762 -0.646 0.000 1.507 485 H HN 0.015 nan 8.280 nan 0.000 0.507 486 L N 4.519 125.709 121.223 -0.056 0.000 2.525 486 L HA 0.031 4.371 4.340 0.000 0.000 0.278 486 L C -1.611 175.235 176.870 -0.041 0.000 1.218 486 L CA -1.250 53.584 54.840 -0.010 0.000 0.878 486 L CB 0.338 42.429 42.059 0.053 0.000 1.127 486 L HN 0.002 nan 8.230 nan 0.000 0.492 487 P HA 0.111 nan 4.420 nan 0.000 0.274 487 P C -0.588 176.650 177.300 -0.104 0.000 1.246 487 P CA -0.570 62.486 63.100 -0.073 0.000 0.795 487 P CB 0.887 32.543 31.700 -0.074 0.000 1.006 488 S N -0.259 115.356 115.700 -0.142 0.000 2.626 488 S HA 0.101 4.571 4.470 0.000 0.000 0.257 488 S C 1.522 175.959 174.600 -0.271 0.000 1.288 488 S CA -0.570 57.512 58.200 -0.196 0.000 0.980 488 S CB -0.420 62.652 63.200 -0.213 0.000 0.975 488 S HN 0.219 nan 8.310 nan 0.000 0.577 489 V N 2.330 122.008 119.914 -0.395 0.000 2.307 489 V HA -0.048 4.072 4.120 0.000 0.000 0.245 489 V C -0.570 175.088 176.094 -0.727 0.000 1.045 489 V CA 1.745 63.737 62.300 -0.513 0.000 1.024 489 V CB -1.751 29.765 31.823 -0.512 0.000 0.651 489 V HN 0.785 nan 8.190 nan 0.000 0.449 490 P HA -0.056 nan 4.420 nan 0.000 0.221 490 P C 1.720 178.799 177.300 -0.368 0.000 1.150 490 P CA 1.709 64.325 63.100 -0.807 0.000 0.800 490 P CB -0.191 31.109 31.700 -0.667 0.000 0.787 491 G N 0.839 109.465 108.800 -0.288 0.000 2.418 491 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 491 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 491 G C 1.492 176.305 174.900 -0.146 0.000 1.158 491 G CA 0.475 45.474 45.100 -0.169 0.000 0.771 491 G HN 0.231 nan 8.290 nan 0.000 0.545 492 L N 0.431 121.552 121.223 -0.170 0.000 2.056 492 L HA 0.133 4.473 4.340 0.000 0.000 0.207 492 L C 2.651 179.450 176.870 -0.118 0.000 1.078 492 L CA 1.301 56.068 54.840 -0.123 0.000 0.749 492 L CB -0.363 41.624 42.059 -0.120 0.000 0.901 492 L HN 0.198 nan 8.230 nan 0.000 0.433 493 L N -1.021 120.100 121.223 -0.171 0.000 2.083 493 L HA -0.180 4.160 4.340 0.000 0.000 0.209 493 L C 2.778 179.599 176.870 -0.082 0.000 1.083 493 L CA 1.109 55.874 54.840 -0.125 0.000 0.752 493 L CB -0.517 41.443 42.059 -0.165 0.000 0.899 493 L HN 0.234 nan 8.230 nan 0.000 0.433 494 R N -0.441 120.004 120.500 -0.093 0.000 2.073 494 R HA -0.166 4.174 4.340 0.000 0.000 0.234 494 R C 2.210 178.485 176.300 -0.043 0.000 1.134 494 R CA 1.138 57.204 56.100 -0.057 0.000 0.952 494 R CB -0.354 29.912 30.300 -0.057 0.000 0.850 494 R HN 0.173 nan 8.270 nan 0.000 0.433 495 L N 0.927 122.121 121.223 -0.049 0.000 2.012 495 L HA -0.187 4.153 4.340 0.000 0.000 0.210 495 L C 2.245 179.099 176.870 -0.027 0.000 1.073 495 L CA 1.618 56.437 54.840 -0.035 0.000 0.748 495 L CB -0.816 41.222 42.059 -0.036 0.000 0.891 495 L HN 0.208 nan 8.230 nan 0.000 0.431 496 I N -0.916 119.635 120.570 -0.031 0.000 2.208 496 I HA -0.252 3.918 4.170 0.000 0.000 0.245 496 I C 2.501 178.610 176.117 -0.014 0.000 1.097 496 I CA 1.430 62.718 61.300 -0.020 0.000 1.363 496 I CB -0.883 37.103 38.000 -0.022 0.000 1.051 496 I HN 0.334 nan 8.210 nan 0.000 0.413 497 G N 0.824 109.615 108.800 -0.015 0.000 2.418 497 G HA2 -0.194 3.766 3.960 0.000 0.000 0.217 497 G HA3 -0.194 3.766 3.960 0.000 0.000 0.217 497 G C 1.739 176.635 174.900 -0.006 0.000 1.158 497 G CA 0.481 45.577 45.100 -0.008 0.000 0.771 497 G HN 0.236 nan 8.290 nan 0.000 0.545 498 L N 0.300 121.517 121.223 -0.010 0.000 1.994 498 L HA -0.080 4.260 4.340 0.000 0.000 0.208 498 L C 3.265 180.132 176.870 -0.006 0.000 1.071 498 L CA 1.740 56.575 54.840 -0.008 0.000 0.745 498 L CB -0.575 41.478 42.059 -0.010 0.000 0.892 498 L HN 0.172 nan 8.230 nan 0.000 0.431 499 T N -1.589 112.960 114.554 -0.007 0.000 2.720 499 T HA -0.187 4.163 4.350 0.000 0.000 0.268 499 T C 1.384 176.082 174.700 -0.003 0.000 1.037 499 T CA 1.691 63.788 62.100 -0.005 0.000 1.144 499 T CB -0.360 68.505 68.868 -0.006 0.000 0.864 499 T HN 0.293 nan 8.240 nan 0.000 0.444 500 T N 2.444 116.996 114.554 -0.003 0.000 3.816 500 T HA 0.278 4.628 4.350 0.000 0.000 0.256 500 T C 0.288 174.988 174.700 0.000 0.000 1.117 500 T CA 0.506 62.606 62.100 -0.000 0.000 0.973 500 T CB -0.903 67.966 68.868 0.001 0.000 1.070 500 T HN 0.363 nan 8.240 nan 0.000 0.604 501 I N 0.000 120.570 120.570 -0.001 0.000 2.984 501 I HA 0.000 4.170 4.170 0.000 0.000 0.288 501 I CA 0.000 61.300 61.300 -0.000 0.000 1.566 501 I CB 0.000 38.000 38.000 -0.000 0.000 1.214 501 I HN 0.000 nan 8.210 nan 0.000 0.494