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 1dms_1_A DATA FIRST_RESID 3 DATA SEQUENCE LANGTVMSGS HWGVFTATVE NGRATAFTPW EKDPHPTPML EGVLDSIYSP DATA SEQUENCE TRIKYPMVRR EFLEKGVNAD RSTRGNGDFV RVSWDQALDL VAAEVKRVEE DATA SEQUENCE TYGPQGVFGG SYGWKSPGRL HNCTTLLRRM LTLAGGYVNG AGDYSTGAAQ DATA SEQUENCE VIMPHVVGTL EVYEQQTAWP VLAENTEVMV FWAADPIKTS QIGWVIPEHG DATA SEQUENCE AYPGLEALKA KGTKVIVIDP VRTKTVEFFG ADHVTPKPQT DVAIMLGMAH DATA SEQUENCE TLVAEDLYDK DFIANYTSGF DKFLPYLMGE TDSTPKTAEW ASDISGVPAE DATA SEQUENCE TIKELARLFK SKRTMLAAGW SMQRMHHGEQ AHWMLVTLAS MLGQIGLPGG DATA SEQUENCE GFGLSYHYSG GGTPSSSGPA LSGITDGXXX XXXXXXXXXX GASVIPVARV DATA SEQUENCE VDMLENPGAE FDFNGTRSKF PDVKMAYWVG GNPFVHHQDR NRMVKAWEKL DATA SEQUENCE ETFIVHDFQW TPTARHADIV LPATTSYERN DIETIGDYSN TGILAMKKIV DATA SEQUENCE EPLYEARSDY DIFAAVAERL GKGKEFTEGK DEMGWIKSFY DDAAKQGKAG DATA SEQUENCE GVEMPAFDAF WAEGIVEFPV TDGADFVRYA SFREDPLLNP LGTPTGLIEI DATA SEQUENCE YSKNIEKMGY DDCPAHPTWM EPLERLDGPG AKYPLHIAAS HPFNRLHSQL DATA SEQUENCE NGTVLREGYA VQGHEPCLMH PDDAAARGIA DGDVVRVHND RGQILTGVKV DATA SEQUENCE TDAVMKGVIQ IYEGGWYDPS DVTEAGTLDK YGDVNVLSAD IGTSKLAQGN DATA SEQUENCE CGQTVLAEVE KYTGPAVTLT GFVAPKAAE 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 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.873 176.870 0.005 0.000 1.165 3 L CA 0.000 54.843 54.840 0.004 0.000 0.813 3 L CB 0.000 42.060 42.059 0.002 0.000 0.961 4 A N 2.055 124.881 122.820 0.009 0.000 2.445 4 A HA 0.625 4.945 4.320 -0.000 0.000 0.242 4 A C -0.056 177.533 177.584 0.009 0.000 1.075 4 A CA -0.017 52.026 52.037 0.010 0.000 0.777 4 A CB -0.013 18.997 19.000 0.016 0.000 1.013 4 A HN 0.673 nan 8.150 nan 0.000 0.493 5 N N 0.307 119.011 118.700 0.006 0.000 2.371 5 N HA 0.659 5.399 4.740 -0.000 0.000 0.291 5 N C -0.128 175.385 175.510 0.004 0.000 1.053 5 N CA 0.528 53.581 53.050 0.005 0.000 0.870 5 N CB 2.214 40.700 38.487 -0.000 0.000 1.503 5 N HN 1.206 nan 8.380 nan 0.000 0.485 6 G N 0.036 108.840 108.800 0.007 0.000 2.345 6 G HA2 0.234 4.194 3.960 -0.000 0.000 0.285 6 G HA3 0.234 4.194 3.960 -0.000 0.000 0.285 6 G C -1.473 173.431 174.900 0.007 0.000 1.297 6 G CA -0.569 44.532 45.100 0.002 0.000 0.875 6 G HN 0.531 nan 8.290 nan 0.000 0.506 7 T N -2.570 111.981 114.554 -0.006 0.000 2.893 7 T HA 0.799 5.149 4.350 -0.000 0.000 0.291 7 T C -0.942 173.734 174.700 -0.039 0.000 1.028 7 T CA -0.796 61.299 62.100 -0.008 0.000 0.995 7 T CB 2.076 70.937 68.868 -0.012 0.000 1.051 7 T HN 1.372 nan 8.240 nan 0.000 0.470 8 V N 2.852 122.735 119.914 -0.053 0.000 2.808 8 V HA 0.528 4.648 4.120 -0.000 0.000 0.308 8 V C -0.473 175.501 176.094 -0.200 0.000 1.099 8 V CA -0.952 61.280 62.300 -0.114 0.000 0.920 8 V CB 2.067 33.846 31.823 -0.073 0.000 1.014 8 V HN 1.109 nan 8.190 nan 0.000 0.425 9 M N 3.278 122.698 119.600 -0.300 0.000 2.318 9 M HA 0.743 5.223 4.480 -0.000 0.000 0.347 9 M C -0.149 175.806 176.300 -0.576 0.000 1.175 9 M CA 0.484 55.518 55.300 -0.443 0.000 1.075 9 M CB 1.602 33.951 32.600 -0.418 0.000 1.614 9 M HN 0.839 nan 8.290 nan 0.000 0.456 10 S N 2.067 117.242 115.700 -0.876 0.000 2.929 10 S HA 0.964 5.434 4.470 -0.000 0.000 0.311 10 S C -0.900 173.114 174.600 -0.977 0.000 1.213 10 S CA -0.210 57.503 58.200 -0.811 0.000 0.908 10 S CB 1.649 64.506 63.200 -0.572 0.000 1.287 10 S HN 0.983 nan 8.310 nan 0.000 0.594 11 G N 0.243 108.722 108.800 -0.535 0.000 2.687 11 G HA2 0.728 4.687 3.960 -0.000 0.000 0.291 11 G HA3 0.728 4.687 3.960 -0.000 0.000 0.291 11 G C -1.023 174.019 174.900 0.237 0.000 1.420 11 G CA 0.206 45.186 45.100 -0.200 0.000 0.796 11 G HN 1.600 nan 8.290 nan 0.000 0.485 12 S N -2.421 113.467 115.700 0.314 0.000 2.683 12 S HA 0.334 4.804 4.470 -0.000 0.000 0.269 12 S C 0.250 175.035 174.600 0.307 0.000 1.165 12 S CA -0.473 57.986 58.200 0.432 0.000 0.840 12 S CB 0.933 64.635 63.200 0.836 0.000 1.169 12 S HN 0.656 nan 8.310 nan 0.000 0.490 13 H N -0.522 118.722 119.070 0.291 0.000 2.518 13 H HA 0.087 4.643 4.556 -0.000 0.000 0.289 13 H C 0.571 175.855 175.328 -0.072 0.000 1.051 13 H CA 1.901 57.928 56.048 -0.035 0.000 1.280 13 H CB 0.078 29.637 29.762 -0.339 0.000 1.380 13 H HN 0.506 nan 8.280 nan 0.000 0.566 14 W N 0.406 121.915 121.300 0.348 0.000 2.942 14 W HA 0.327 4.987 4.660 -0.000 0.000 0.263 14 W C 0.669 177.386 176.519 0.330 0.000 1.296 14 W CA 0.881 58.418 57.345 0.321 0.000 1.504 14 W CB 0.711 30.333 29.460 0.271 0.000 1.096 14 W HN 0.231 nan 8.180 nan 0.000 0.639 15 G N -0.215 108.857 108.800 0.452 0.000 2.369 15 G HA2 0.067 4.027 3.960 -0.000 0.000 0.307 15 G HA3 0.067 4.027 3.960 -0.000 0.000 0.307 15 G C -1.585 173.483 174.900 0.280 0.000 1.327 15 G CA -1.196 44.093 45.100 0.314 0.000 0.963 15 G HN -0.229 nan 8.290 nan 0.000 0.590 16 V N 0.706 120.705 119.914 0.143 0.000 2.607 16 V HA 0.780 4.900 4.120 -0.000 0.000 0.289 16 V C 0.286 176.409 176.094 0.048 0.000 1.053 16 V CA 0.511 62.732 62.300 -0.131 0.000 0.996 16 V CB 0.419 31.934 31.823 -0.513 0.000 0.995 16 V HN 1.292 nan 8.190 nan 0.000 0.476 17 F N 0.830 120.682 119.950 -0.164 0.000 2.711 17 F HA 0.760 5.287 4.527 -0.000 0.000 0.313 17 F C -0.596 175.073 175.800 -0.219 0.000 1.141 17 F CA -0.926 56.988 58.000 -0.143 0.000 0.941 17 F CB 1.601 40.471 39.000 -0.216 0.000 1.349 17 F HN 0.245 nan 8.300 nan 0.000 0.464 18 T N 1.713 116.315 114.554 0.079 0.000 2.792 18 T HA 0.763 5.113 4.350 -0.000 0.000 0.280 18 T C -0.493 174.298 174.700 0.151 0.000 0.990 18 T CA -0.413 61.685 62.100 -0.004 0.000 0.960 18 T CB 1.312 70.188 68.868 0.014 0.000 0.939 18 T HN 0.926 nan 8.240 nan 0.000 0.439 19 A N 2.865 125.746 122.820 0.102 0.000 2.305 19 A HA 0.675 4.995 4.320 -0.000 0.000 0.322 19 A C 0.361 178.030 177.584 0.142 0.000 1.187 19 A CA -0.631 51.533 52.037 0.213 0.000 0.825 19 A CB 0.448 19.588 19.000 0.234 0.000 1.164 19 A HN 0.695 nan 8.150 nan 0.000 0.498 20 T N 2.184 116.832 114.554 0.156 0.000 2.767 20 T HA 0.473 4.823 4.350 -0.000 0.000 0.288 20 T C -0.288 174.464 174.700 0.087 0.000 0.963 20 T CA -0.108 62.044 62.100 0.087 0.000 1.019 20 T CB 0.763 69.668 68.868 0.063 0.000 0.923 20 T HN 0.398 nan 8.240 nan 0.000 0.468 21 V N 4.500 124.451 119.914 0.061 0.000 2.417 21 V HA 0.424 4.544 4.120 -0.000 0.000 0.291 21 V C -0.099 176.010 176.094 0.025 0.000 1.024 21 V CA -0.751 61.582 62.300 0.055 0.000 0.861 21 V CB 1.673 33.531 31.823 0.058 0.000 0.985 21 V HN 0.854 nan 8.190 nan 0.000 0.436 22 E N 4.189 124.395 120.200 0.010 0.000 2.218 22 E HA 0.394 4.743 4.350 -0.000 0.000 0.263 22 E C -0.627 175.965 176.600 -0.012 0.000 0.879 22 E CA -0.769 55.627 56.400 -0.006 0.000 0.762 22 E CB 1.192 30.880 29.700 -0.021 0.000 1.166 22 E HN 0.665 nan 8.360 nan 0.000 0.415 23 N N 2.196 120.891 118.700 -0.008 0.000 2.714 23 N HA -0.229 4.511 4.740 -0.000 0.000 0.252 23 N C 0.681 176.189 175.510 -0.004 0.000 1.014 23 N CA 1.421 54.465 53.050 -0.009 0.000 0.735 23 N CB -1.195 37.281 38.487 -0.018 0.000 0.924 23 N HN 1.075 nan 8.380 nan 0.000 0.540 24 G N -0.938 107.869 108.800 0.011 0.000 2.168 24 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.263 24 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.263 24 G C 0.088 175.015 174.900 0.046 0.000 0.977 24 G CA 0.765 45.881 45.100 0.026 0.000 0.659 24 G HN 0.760 nan 8.290 nan 0.000 0.533 25 R N 0.155 120.671 120.500 0.027 0.000 2.534 25 R HA 0.696 5.036 4.340 -0.000 0.000 0.301 25 R C 0.343 176.677 176.300 0.056 0.000 0.961 25 R CA -0.100 56.017 56.100 0.029 0.000 0.871 25 R CB 1.110 31.339 30.300 -0.119 0.000 1.170 25 R HN 0.593 nan 8.270 nan 0.000 0.446 26 A N 2.269 125.193 122.820 0.173 0.000 2.409 26 A HA 0.206 4.526 4.320 -0.000 0.000 0.267 26 A C 0.834 178.436 177.584 0.030 0.000 1.127 26 A CA -0.024 52.112 52.037 0.166 0.000 0.795 26 A CB 0.444 19.615 19.000 0.284 0.000 1.061 26 A HN 0.926 nan 8.150 nan 0.000 0.502 27 T N -1.123 113.432 114.554 0.002 0.000 2.975 27 T HA 0.590 4.940 4.350 -0.000 0.000 0.257 27 T C 0.294 174.949 174.700 -0.075 0.000 1.003 27 T CA 0.613 62.671 62.100 -0.070 0.000 0.932 27 T CB 0.071 68.903 68.868 -0.060 0.000 1.087 27 T HN 1.902 nan 8.240 nan 0.000 0.512 28 A N 0.762 123.575 122.820 -0.013 0.000 2.594 28 A HA 0.622 4.942 4.320 -0.000 0.000 0.296 28 A C -2.086 175.644 177.584 0.243 0.000 1.056 28 A CA -0.772 51.267 52.037 0.004 0.000 0.693 28 A CB 0.812 19.822 19.000 0.018 0.000 1.278 28 A HN 0.144 nan 8.150 nan 0.000 0.408 29 F N 1.397 121.266 119.950 -0.135 0.000 2.427 29 F HA 0.611 5.137 4.527 -0.000 0.000 0.348 29 F C 0.396 176.162 175.800 -0.057 0.000 1.125 29 F CA -0.740 57.160 58.000 -0.167 0.000 0.989 29 F CB 2.107 40.783 39.000 -0.539 0.000 1.165 29 F HN 0.443 nan 8.300 nan 0.000 0.442 30 T N 6.067 120.748 114.554 0.211 0.000 2.771 30 T HA 0.389 4.739 4.350 -0.000 0.000 0.281 30 T C -2.511 172.301 174.700 0.187 0.000 0.982 30 T CA -1.475 60.713 62.100 0.147 0.000 0.978 30 T CB 1.739 70.671 68.868 0.108 0.000 0.930 30 T HN 0.177 nan 8.240 nan 0.000 0.447 31 P HA 0.009 nan 4.420 nan 0.000 0.269 31 P C -0.326 177.126 177.300 0.254 0.000 1.215 31 P CA -0.624 62.611 63.100 0.224 0.000 0.780 31 P CB 0.628 32.427 31.700 0.165 0.000 0.898 32 W N 3.613 124.950 121.300 0.061 0.000 2.295 32 W HA -0.021 4.639 4.660 -0.000 0.000 0.335 32 W C 1.067 177.595 176.519 0.015 0.000 1.351 32 W CA -0.144 57.210 57.345 0.015 0.000 1.273 32 W CB -0.153 29.312 29.460 0.007 0.000 1.214 32 W HN 0.505 nan 8.180 nan 0.000 0.563 33 E N 2.796 123.011 120.200 0.025 0.000 2.265 33 E HA -0.218 4.132 4.350 -0.000 0.000 0.196 33 E C 1.162 177.525 176.600 -0.395 0.000 0.996 33 E CA 1.698 58.009 56.400 -0.148 0.000 0.832 33 E CB -0.188 29.463 29.700 -0.083 0.000 0.756 33 E HN 0.580 nan 8.360 nan 0.000 0.491 34 K N 0.444 120.266 120.400 -0.964 0.000 2.404 34 K HA 0.029 4.349 4.320 -0.000 0.000 0.194 34 K C 0.094 176.225 176.600 -0.782 0.000 1.023 34 K CA 0.116 55.757 56.287 -1.076 0.000 1.094 34 K CB 0.194 31.663 32.500 -1.719 0.000 0.841 34 K HN 0.108 nan 8.250 nan 0.000 0.523 35 D N 2.146 122.301 120.400 -0.409 0.000 2.343 35 D HA 0.012 4.652 4.640 -0.000 0.000 0.255 35 D C -1.383 174.915 176.300 -0.005 0.000 1.187 35 D CA -1.853 52.151 54.000 0.007 0.000 0.875 35 D CB 1.427 42.396 40.800 0.281 0.000 1.136 35 D HN -0.001 nan 8.370 nan 0.000 0.469 36 P HA -0.087 nan 4.420 nan 0.000 0.229 36 P C 0.068 177.392 177.300 0.040 0.000 1.160 36 P CA 0.709 63.831 63.100 0.036 0.000 0.777 36 P CB 0.447 32.192 31.700 0.076 0.000 0.814 37 H N -0.962 118.053 119.070 -0.092 0.000 2.888 37 H HA 0.306 4.862 4.556 -0.000 0.000 0.280 37 H C -2.948 172.088 175.328 -0.488 0.000 1.431 37 H CA -1.529 54.301 56.048 -0.365 0.000 1.573 37 H CB 1.042 30.359 29.762 -0.742 0.000 1.924 37 H HN -0.072 nan 8.280 nan 0.000 0.645 38 P HA 0.056 nan 4.420 nan 0.000 0.270 38 P C -0.171 176.989 177.300 -0.233 0.000 1.223 38 P CA 0.095 63.101 63.100 -0.157 0.000 0.785 38 P CB 0.829 32.503 31.700 -0.043 0.000 0.923 39 T N 3.747 118.279 114.554 -0.037 0.000 2.806 39 T HA 0.212 4.562 4.350 -0.000 0.000 0.290 39 T C -1.596 173.143 174.700 0.065 0.000 0.966 39 T CA -1.007 61.129 62.100 0.060 0.000 1.060 39 T CB 0.596 69.644 68.868 0.300 0.000 0.927 39 T HN 0.284 nan 8.240 nan 0.000 0.485 40 P HA 0.044 nan 4.420 nan 0.000 0.225 40 P C 1.380 178.694 177.300 0.024 0.000 1.148 40 P CA 0.841 63.961 63.100 0.034 0.000 0.779 40 P CB 0.039 31.780 31.700 0.067 0.000 0.780 41 M N -1.778 117.858 119.600 0.060 0.000 2.476 41 M HA -0.075 4.405 4.480 -0.000 0.000 0.262 41 M C 1.885 178.028 176.300 -0.260 0.000 1.079 41 M CA 1.013 56.285 55.300 -0.047 0.000 1.104 41 M CB -0.635 32.001 32.600 0.060 0.000 1.409 41 M HN -0.002 nan 8.290 nan 0.000 0.467 42 L N 0.423 121.544 121.223 -0.171 0.000 2.089 42 L HA -0.269 4.071 4.340 -0.000 0.000 0.213 42 L C 2.238 178.949 176.870 -0.266 0.000 1.079 42 L CA 1.412 56.130 54.840 -0.203 0.000 0.758 42 L CB -0.464 41.571 42.059 -0.041 0.000 0.891 42 L HN 0.333 nan 8.230 nan 0.000 0.433 43 E N -0.585 119.482 120.200 -0.223 0.000 2.347 43 E HA -0.082 4.268 4.350 -0.000 0.000 0.196 43 E C 2.013 178.425 176.600 -0.313 0.000 1.008 43 E CA 0.936 57.170 56.400 -0.277 0.000 0.852 43 E CB -0.256 29.330 29.700 -0.190 0.000 0.783 43 E HN 0.519 nan 8.360 nan 0.000 0.505 44 G N 0.746 109.376 108.800 -0.283 0.000 2.430 44 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.216 44 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.216 44 G C 1.767 176.477 174.900 -0.318 0.000 1.146 44 G CA 0.466 45.415 45.100 -0.251 0.000 0.793 44 G HN 0.180 nan 8.290 nan 0.000 0.537 45 V N 0.972 120.604 119.914 -0.469 0.000 2.295 45 V HA -0.134 3.986 4.120 -0.000 0.000 0.246 45 V C 2.663 178.494 176.094 -0.438 0.000 1.049 45 V CA 1.423 63.452 62.300 -0.452 0.000 1.024 45 V CB -0.528 30.985 31.823 -0.517 0.000 0.648 45 V HN 0.357 nan 8.190 nan 0.000 0.447 46 L N 0.170 120.907 121.223 -0.809 0.000 1.989 46 L HA -0.261 4.079 4.340 -0.000 0.000 0.211 46 L C 2.387 178.997 176.870 -0.434 0.000 1.071 46 L CA 2.678 56.860 54.840 -1.097 0.000 0.749 46 L CB -0.507 40.736 42.059 -1.359 0.000 0.890 46 L HN 0.439 nan 8.230 nan 0.000 0.431 47 D N -0.598 119.621 120.400 -0.302 0.000 2.149 47 D HA -0.212 4.428 4.640 -0.000 0.000 0.198 47 D C 2.309 178.591 176.300 -0.029 0.000 0.990 47 D CA 1.399 55.334 54.000 -0.109 0.000 0.839 47 D CB 0.103 40.830 40.800 -0.123 0.000 0.948 47 D HN 0.457 nan 8.370 nan 0.000 0.460 48 S N -0.602 115.071 115.700 -0.045 0.000 2.465 48 S HA -0.145 4.325 4.470 -0.000 0.000 0.241 48 S C 2.085 176.717 174.600 0.054 0.000 1.000 48 S CA 0.619 58.873 58.200 0.091 0.000 0.964 48 S CB -0.682 62.639 63.200 0.202 0.000 0.763 48 S HN 0.404 nan 8.310 nan 0.000 0.512 49 I N -0.804 119.685 120.570 -0.135 0.000 2.439 49 I HA -0.042 4.128 4.170 -0.000 0.000 0.251 49 I C 1.375 177.228 176.117 -0.439 0.000 1.139 49 I CA 1.102 62.173 61.300 -0.382 0.000 1.438 49 I CB -0.151 37.440 38.000 -0.682 0.000 1.085 49 I HN 0.303 nan 8.210 nan 0.000 0.427 50 Y N -0.228 120.080 120.300 0.013 0.000 2.500 50 Y HA 0.212 4.762 4.550 -0.000 0.000 0.246 50 Y C 1.617 177.566 175.900 0.081 0.000 1.146 50 Y CA -0.626 57.498 58.100 0.040 0.000 1.230 50 Y CB -0.174 38.273 38.460 -0.022 0.000 1.214 50 Y HN -0.037 nan 8.280 nan 0.000 0.526 51 S N 1.091 116.913 115.700 0.202 0.000 2.572 51 S HA 0.017 4.487 4.470 -0.000 0.000 0.267 51 S C -1.626 173.089 174.600 0.191 0.000 1.361 51 S CA -0.814 57.485 58.200 0.164 0.000 1.009 51 S CB 0.912 64.189 63.200 0.129 0.000 0.888 51 S HN -0.007 nan 8.310 nan 0.000 0.553 52 P HA -0.045 nan 4.420 nan 0.000 0.221 52 P C 1.064 178.487 177.300 0.206 0.000 1.145 52 P CA 1.379 64.570 63.100 0.152 0.000 0.795 52 P CB -0.327 31.442 31.700 0.114 0.000 0.775 53 T N -4.279 110.445 114.554 0.283 0.000 3.188 53 T HA 0.159 4.509 4.350 -0.000 0.000 0.250 53 T C 0.711 175.649 174.700 0.397 0.000 1.077 53 T CA -0.413 61.935 62.100 0.413 0.000 0.967 53 T CB -0.376 68.829 68.868 0.561 0.000 1.006 53 T HN -0.114 nan 8.240 nan 0.000 0.552 54 R N 2.013 122.686 120.500 0.289 0.000 2.489 54 R HA 0.302 4.642 4.340 -0.000 0.000 0.287 54 R C -0.308 176.042 176.300 0.083 0.000 1.053 54 R CA -0.604 55.627 56.100 0.219 0.000 1.036 54 R CB -0.386 30.072 30.300 0.263 0.000 0.966 54 R HN 0.390 nan 8.270 nan 0.000 0.432 55 I N 6.341 126.843 120.570 -0.112 0.000 2.379 55 I HA 0.021 4.191 4.170 -0.000 0.000 0.290 55 I C 1.017 176.979 176.117 -0.260 0.000 1.063 55 I CA 0.026 61.111 61.300 -0.359 0.000 1.351 55 I CB 1.112 38.688 38.000 -0.707 0.000 1.410 55 I HN 0.712 nan 8.210 nan 0.000 0.505 56 K N 5.217 125.344 120.400 -0.454 0.000 2.099 56 K HA 0.067 4.387 4.320 -0.000 0.000 0.203 56 K C -0.467 175.699 176.600 -0.724 0.000 1.047 56 K CA 1.062 56.820 56.287 -0.881 0.000 0.963 56 K CB 0.166 31.604 32.500 -1.771 0.000 0.759 56 K HN 0.386 nan 8.250 nan 0.000 0.451 57 Y N -0.065 120.164 120.300 -0.119 0.000 2.605 57 Y HA 0.328 4.878 4.550 -0.000 0.000 0.343 57 Y C -2.562 173.146 175.900 -0.321 0.000 1.036 57 Y CA -3.704 54.289 58.100 -0.178 0.000 1.065 57 Y CB 0.512 38.893 38.460 -0.132 0.000 1.288 57 Y HN -0.103 nan 8.280 nan 0.000 0.481 58 P HA 0.220 nan 4.420 nan 0.000 0.276 58 P C -0.823 176.317 177.300 -0.267 0.000 1.230 58 P CA 0.242 63.017 63.100 -0.542 0.000 0.776 58 P CB 0.823 31.930 31.700 -0.989 0.000 0.888 59 M N 2.246 121.713 119.600 -0.221 0.000 2.572 59 M HA 0.481 4.961 4.480 -0.000 0.000 0.299 59 M C -0.758 175.556 176.300 0.023 0.000 1.205 59 M CA -1.133 54.124 55.300 -0.072 0.000 0.876 59 M CB 2.289 34.813 32.600 -0.126 0.000 1.728 59 M HN 0.003 nan 8.290 nan 0.000 0.458 60 V N 1.201 121.225 119.914 0.184 0.000 2.638 60 V HA 0.462 4.582 4.120 -0.000 0.000 0.306 60 V C 0.028 176.334 176.094 0.354 0.000 1.052 60 V CA -0.921 61.522 62.300 0.239 0.000 0.885 60 V CB 2.204 34.138 31.823 0.184 0.000 0.999 60 V HN 0.864 nan 8.190 nan 0.000 0.424 61 R N 2.707 123.391 120.500 0.307 0.000 2.502 61 R HA 0.064 4.404 4.340 -0.000 0.000 0.292 61 R C 1.623 177.968 176.300 0.075 0.000 0.998 61 R CA 0.196 56.298 56.100 0.004 0.000 1.056 61 R CB 0.304 30.567 30.300 -0.062 0.000 0.939 61 R HN 0.751 nan 8.270 nan 0.000 0.411 62 R N 3.016 123.505 120.500 -0.018 0.000 2.096 62 R HA -0.258 4.082 4.340 -0.000 0.000 0.240 62 R C 1.500 177.816 176.300 0.026 0.000 1.139 62 R CA 2.353 58.460 56.100 0.013 0.000 0.952 62 R CB -0.112 30.172 30.300 -0.027 0.000 0.854 62 R HN 0.757 nan 8.270 nan 0.000 0.436 63 E N -0.313 119.894 120.200 0.011 0.000 2.118 63 E HA -0.213 4.136 4.350 -0.000 0.000 0.195 63 E C 1.599 178.242 176.600 0.071 0.000 0.992 63 E CA 1.489 57.905 56.400 0.026 0.000 0.804 63 E CB -0.349 29.360 29.700 0.016 0.000 0.741 63 E HN 0.435 nan 8.360 nan 0.000 0.458 64 F N -0.118 119.827 119.950 -0.008 0.000 2.128 64 F HA -0.068 4.459 4.527 -0.000 0.000 0.295 64 F C 1.899 177.713 175.800 0.023 0.000 1.100 64 F CA 1.024 59.037 58.000 0.021 0.000 1.260 64 F CB -0.374 38.651 39.000 0.042 0.000 1.009 64 F HN 0.160 nan 8.300 nan 0.000 0.476 65 L N 0.829 122.129 121.223 0.129 0.000 2.042 65 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 65 L C 2.137 178.968 176.870 -0.064 0.000 1.076 65 L CA 2.048 56.911 54.840 0.039 0.000 0.749 65 L CB -0.844 41.269 42.059 0.090 0.000 0.893 65 L HN 0.241 nan 8.230 nan 0.000 0.432 66 E N -1.120 119.051 120.200 -0.048 0.000 2.112 66 E HA -0.120 4.230 4.350 -0.000 0.000 0.190 66 E C 1.523 178.071 176.600 -0.088 0.000 0.979 66 E CA 0.979 57.346 56.400 -0.056 0.000 0.814 66 E CB 0.087 29.769 29.700 -0.030 0.000 0.762 66 E HN 0.471 nan 8.360 nan 0.000 0.460 67 K N -0.380 119.948 120.400 -0.119 0.000 2.402 67 K HA 0.194 4.514 4.320 -0.000 0.000 0.204 67 K C 0.917 177.398 176.600 -0.199 0.000 1.056 67 K CA 0.364 56.579 56.287 -0.120 0.000 1.069 67 K CB 1.650 34.114 32.500 -0.060 0.000 0.888 67 K HN 0.151 nan 8.250 nan 0.000 0.546 68 G N 1.881 110.427 108.800 -0.422 0.000 2.611 68 G HA2 -0.423 3.537 3.960 -0.000 0.000 0.301 68 G HA3 -0.423 3.537 3.960 -0.000 0.000 0.301 68 G C 1.026 175.755 174.900 -0.284 0.000 1.233 68 G CA 1.124 45.846 45.100 -0.629 0.000 0.993 68 G HN 0.229 nan 8.290 nan 0.000 0.553 69 V N -1.232 118.619 119.914 -0.104 0.000 2.867 69 V HA 0.032 4.152 4.120 -0.000 0.000 0.260 69 V C 1.741 177.855 176.094 0.033 0.000 1.099 69 V CA 2.595 64.918 62.300 0.039 0.000 1.122 69 V CB -0.394 31.473 31.823 0.074 0.000 0.708 69 V HN 0.564 nan 8.190 nan 0.000 0.490 70 N N 1.487 120.181 118.700 -0.009 0.000 2.313 70 N HA 0.394 5.133 4.740 -0.000 0.000 0.207 70 N C 0.606 176.121 175.510 0.007 0.000 1.141 70 N CA 0.713 53.764 53.050 0.003 0.000 0.830 70 N CB 0.539 39.019 38.487 -0.011 0.000 1.008 70 N HN 0.696 nan 8.380 nan 0.000 0.481 71 A N 0.554 123.388 122.820 0.023 0.000 2.407 71 A HA 0.088 4.408 4.320 -0.000 0.000 0.248 71 A C 0.219 177.839 177.584 0.059 0.000 1.082 71 A CA -0.338 51.726 52.037 0.045 0.000 0.785 71 A CB 0.340 19.403 19.000 0.106 0.000 1.020 71 A HN 0.089 nan 8.150 nan 0.000 0.489 72 D N 0.862 121.288 120.400 0.044 0.000 2.346 72 D HA 0.117 4.757 4.640 -0.000 0.000 0.260 72 D C 1.006 177.342 176.300 0.060 0.000 1.252 72 D CA 0.154 54.179 54.000 0.041 0.000 0.895 72 D CB 0.332 41.144 40.800 0.021 0.000 1.097 72 D HN 0.490 nan 8.370 nan 0.000 0.489 73 R N 1.705 122.252 120.500 0.077 0.000 2.299 73 R HA -0.015 4.325 4.340 -0.000 0.000 0.197 73 R C 1.936 178.296 176.300 0.100 0.000 0.971 73 R CA 0.511 56.674 56.100 0.105 0.000 1.030 73 R CB 0.118 30.491 30.300 0.123 0.000 0.932 73 R HN 0.423 nan 8.270 nan 0.000 0.477 74 S N 0.112 115.855 115.700 0.071 0.000 2.481 74 S HA -0.092 4.378 4.470 -0.000 0.000 0.231 74 S C 1.786 176.412 174.600 0.043 0.000 0.996 74 S CA 1.145 59.386 58.200 0.068 0.000 0.942 74 S CB -0.168 63.062 63.200 0.050 0.000 0.768 74 S HN 0.324 nan 8.310 nan 0.000 0.520 75 T N -0.880 113.682 114.554 0.014 0.000 3.144 75 T HA 0.298 4.648 4.350 -0.000 0.000 0.249 75 T C 0.569 175.213 174.700 -0.092 0.000 1.089 75 T CA -0.588 61.488 62.100 -0.040 0.000 0.989 75 T CB -0.362 68.473 68.868 -0.056 0.000 0.992 75 T HN 0.250 nan 8.240 nan 0.000 0.540 76 R N 0.929 121.406 120.500 -0.038 0.000 2.522 76 R HA 0.388 4.728 4.340 -0.000 0.000 0.284 76 R C 1.466 177.571 176.300 -0.325 0.000 1.032 76 R CA 1.175 57.218 56.100 -0.095 0.000 1.049 76 R CB 0.055 30.411 30.300 0.094 0.000 0.956 76 R HN 0.538 nan 8.270 nan 0.000 0.422 77 G N 2.346 110.826 108.800 -0.532 0.000 2.195 77 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.224 77 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.224 77 G C 0.585 175.199 174.900 -0.476 0.000 0.990 77 G CA 0.246 44.831 45.100 -0.857 0.000 0.639 77 G HN 0.728 nan 8.290 nan 0.000 0.514 78 N N 1.294 119.782 118.700 -0.354 0.000 2.521 78 N HA 0.335 5.075 4.740 -0.000 0.000 0.188 78 N C 1.777 177.127 175.510 -0.267 0.000 1.146 78 N CA 1.376 54.268 53.050 -0.263 0.000 0.893 78 N CB -0.463 37.906 38.487 -0.196 0.000 0.975 78 N HN 1.778 nan 8.380 nan 0.000 0.451 79 G N -0.144 108.451 108.800 -0.342 0.000 2.159 79 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.256 79 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.256 79 G C -0.406 174.324 174.900 -0.283 0.000 0.977 79 G CA 0.232 45.179 45.100 -0.255 0.000 0.652 79 G HN 0.589 nan 8.290 nan 0.000 0.531 80 D N 0.567 120.718 120.400 -0.414 0.000 2.508 80 D HA 0.495 5.135 4.640 -0.000 0.000 0.224 80 D C 0.081 176.162 176.300 -0.365 0.000 1.171 80 D CA -0.183 53.646 54.000 -0.286 0.000 1.006 80 D CB -0.572 40.098 40.800 -0.217 0.000 1.073 80 D HN 0.138 nan 8.370 nan 0.000 0.513 81 F N 1.277 121.185 119.950 -0.069 0.000 2.483 81 F HA 0.501 5.027 4.527 -0.000 0.000 0.329 81 F C 0.340 176.131 175.800 -0.016 0.000 1.064 81 F CA -1.006 56.978 58.000 -0.027 0.000 0.986 81 F CB 1.664 40.657 39.000 -0.012 0.000 1.218 81 F HN -0.137 nan 8.300 nan 0.000 0.484 82 V N 2.233 122.292 119.914 0.241 0.000 2.487 82 V HA 0.430 4.550 4.120 -0.000 0.000 0.298 82 V C -0.236 175.917 176.094 0.098 0.000 1.028 82 V CA -1.083 61.289 62.300 0.120 0.000 0.860 82 V CB 1.702 33.573 31.823 0.080 0.000 0.991 82 V HN 0.668 nan 8.190 nan 0.000 0.427 83 R N 3.792 124.318 120.500 0.044 0.000 2.438 83 R HA 0.640 4.980 4.340 -0.000 0.000 0.287 83 R C -0.663 175.613 176.300 -0.040 0.000 1.077 83 R CA -0.147 55.950 56.100 -0.005 0.000 1.034 83 R CB 1.246 31.514 30.300 -0.052 0.000 0.993 83 R HN 0.676 nan 8.270 nan 0.000 0.459 84 V N 0.482 120.354 119.914 -0.070 0.000 3.141 84 V HA 0.598 4.718 4.120 -0.000 0.000 0.312 84 V C -0.178 175.850 176.094 -0.110 0.000 1.157 84 V CA -0.921 61.338 62.300 -0.068 0.000 1.041 84 V CB 1.649 33.447 31.823 -0.041 0.000 1.071 84 V HN 0.935 nan 8.190 nan 0.000 0.441 85 S N -0.210 115.455 115.700 -0.059 0.000 2.614 85 S HA 0.275 4.745 4.470 -0.000 0.000 0.265 85 S C 0.402 174.997 174.600 -0.008 0.000 1.303 85 S CA -0.058 58.129 58.200 -0.022 0.000 1.000 85 S CB 0.538 63.760 63.200 0.038 0.000 0.935 85 S HN 0.884 nan 8.310 nan 0.000 0.551 86 W N 0.599 121.903 121.300 0.008 0.000 2.338 86 W HA -0.084 4.576 4.660 -0.000 0.000 0.304 86 W C 1.956 178.473 176.519 -0.003 0.000 1.212 86 W CA 1.248 58.591 57.345 -0.003 0.000 1.264 86 W CB -0.242 29.215 29.460 -0.006 0.000 1.142 86 W HN 0.729 nan 8.180 nan 0.000 0.512 87 D N -0.336 120.213 120.400 0.248 0.000 2.117 87 D HA -0.221 4.419 4.640 -0.000 0.000 0.197 87 D C 2.187 178.554 176.300 0.112 0.000 0.987 87 D CA 1.835 55.927 54.000 0.154 0.000 0.829 87 D CB -0.613 40.250 40.800 0.105 0.000 0.961 87 D HN 0.461 nan 8.370 nan 0.000 0.460 88 Q N 0.552 120.401 119.800 0.083 0.000 2.123 88 Q HA 0.023 4.363 4.340 -0.000 0.000 0.199 88 Q C 2.204 178.241 176.000 0.062 0.000 0.966 88 Q CA 1.295 57.134 55.803 0.061 0.000 0.845 88 Q CB -0.271 28.491 28.738 0.040 0.000 0.907 88 Q HN 0.120 nan 8.270 nan 0.000 0.439 89 A N 1.979 124.823 122.820 0.039 0.000 1.902 89 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 89 A C 2.245 179.880 177.584 0.085 0.000 1.181 89 A CA 1.251 53.296 52.037 0.013 0.000 0.623 89 A CB -0.725 18.195 19.000 -0.134 0.000 0.818 89 A HN 0.338 nan 8.150 nan 0.000 0.443 90 L N -0.660 120.654 121.223 0.151 0.000 2.056 90 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 90 L C 2.119 179.060 176.870 0.118 0.000 1.078 90 L CA 1.322 56.258 54.840 0.159 0.000 0.749 90 L CB -0.649 41.514 42.059 0.174 0.000 0.901 90 L HN 0.279 nan 8.230 nan 0.000 0.433 91 D N 0.040 120.501 120.400 0.101 0.000 2.117 91 D HA -0.189 4.451 4.640 -0.000 0.000 0.197 91 D C 2.055 178.413 176.300 0.096 0.000 0.987 91 D CA 1.099 55.150 54.000 0.086 0.000 0.829 91 D CB -0.151 40.692 40.800 0.072 0.000 0.961 91 D HN 0.098 nan 8.370 nan 0.000 0.460 92 L N 0.559 121.844 121.223 0.103 0.000 2.017 92 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 92 L C 2.290 179.246 176.870 0.143 0.000 1.073 92 L CA 1.332 56.248 54.840 0.127 0.000 0.745 92 L CB -0.580 41.563 42.059 0.140 0.000 0.894 92 L HN -0.111 nan 8.230 nan 0.000 0.432 93 V N 0.085 120.078 119.914 0.132 0.000 2.287 93 V HA -0.322 3.798 4.120 -0.000 0.000 0.248 93 V C 2.793 178.995 176.094 0.179 0.000 1.053 93 V CA 1.761 64.153 62.300 0.154 0.000 1.027 93 V CB -1.435 30.498 31.823 0.183 0.000 0.646 93 V HN 0.612 nan 8.190 nan 0.000 0.447 94 A N -0.099 122.813 122.820 0.153 0.000 1.902 94 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 94 A C 2.428 180.084 177.584 0.121 0.000 1.181 94 A CA 2.171 54.288 52.037 0.132 0.000 0.623 94 A CB -0.812 18.247 19.000 0.098 0.000 0.818 94 A HN 0.588 nan 8.150 nan 0.000 0.443 95 A N -0.566 122.322 122.820 0.114 0.000 1.902 95 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 95 A C 1.991 179.650 177.584 0.124 0.000 1.181 95 A CA 1.739 53.838 52.037 0.104 0.000 0.623 95 A CB -0.412 18.644 19.000 0.094 0.000 0.818 95 A HN 0.452 nan 8.150 nan 0.000 0.443 96 E N -0.185 120.110 120.200 0.157 0.000 2.072 96 E HA -0.097 4.253 4.350 -0.000 0.000 0.191 96 E C 2.258 178.967 176.600 0.182 0.000 0.985 96 E CA 1.231 57.742 56.400 0.186 0.000 0.801 96 E CB -0.614 29.220 29.700 0.223 0.000 0.750 96 E HN 0.366 nan 8.360 nan 0.000 0.452 97 V N 1.564 121.590 119.914 0.186 0.000 2.287 97 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 97 V C 2.453 178.635 176.094 0.146 0.000 1.053 97 V CA 1.886 64.299 62.300 0.188 0.000 1.027 97 V CB -0.407 31.535 31.823 0.198 0.000 0.646 97 V HN 0.129 nan 8.190 nan 0.000 0.447 98 K N 0.509 120.981 120.400 0.120 0.000 2.057 98 K HA -0.163 4.157 4.320 -0.000 0.000 0.207 98 K C 2.287 178.935 176.600 0.081 0.000 1.049 98 K CA 1.571 57.913 56.287 0.090 0.000 0.931 98 K CB -0.456 32.088 32.500 0.073 0.000 0.714 98 K HN 0.343 nan 8.250 nan 0.000 0.440 99 R N -0.183 120.370 120.500 0.088 0.000 2.083 99 R HA -0.108 4.232 4.340 -0.000 0.000 0.237 99 R C 1.931 178.274 176.300 0.071 0.000 1.137 99 R CA 1.802 57.942 56.100 0.066 0.000 0.951 99 R CB -0.383 29.967 30.300 0.083 0.000 0.851 99 R HN 0.080 nan 8.270 nan 0.000 0.434 100 V N 1.611 121.620 119.914 0.157 0.000 2.343 100 V HA -0.193 3.927 4.120 -0.000 0.000 0.247 100 V C 2.313 178.530 176.094 0.205 0.000 1.051 100 V CA 1.822 64.279 62.300 0.263 0.000 1.036 100 V CB -0.420 31.584 31.823 0.303 0.000 0.654 100 V HN 0.384 nan 8.190 nan 0.000 0.451 101 E N -0.193 120.095 120.200 0.146 0.000 2.077 101 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 101 E C 2.274 178.914 176.600 0.066 0.000 0.989 101 E CA 1.070 57.538 56.400 0.114 0.000 0.800 101 E CB -0.157 29.601 29.700 0.097 0.000 0.746 101 E HN 0.607 nan 8.360 nan 0.000 0.452 102 E N 0.030 120.249 120.200 0.031 0.000 2.072 102 E HA -0.058 4.292 4.350 -0.000 0.000 0.190 102 E C 2.118 178.675 176.600 -0.071 0.000 0.982 102 E CA 0.967 57.361 56.400 -0.009 0.000 0.803 102 E CB -0.237 29.456 29.700 -0.011 0.000 0.755 102 E HN 0.208 nan 8.360 nan 0.000 0.453 103 T N 0.108 114.564 114.554 -0.163 0.000 2.851 103 T HA -0.072 4.278 4.350 -0.000 0.000 0.262 103 T C 1.220 175.632 174.700 -0.481 0.000 1.043 103 T CA 1.035 62.885 62.100 -0.416 0.000 1.140 103 T CB -0.156 68.269 68.868 -0.737 0.000 0.872 103 T HN 0.162 nan 8.240 nan 0.000 0.446 104 Y N 0.589 120.916 120.300 0.045 0.000 2.430 104 Y HA 0.486 5.036 4.550 -0.000 0.000 0.248 104 Y C 1.501 177.427 175.900 0.042 0.000 1.108 104 Y CA -0.323 57.803 58.100 0.044 0.000 1.264 104 Y CB 0.110 38.600 38.460 0.050 0.000 1.172 104 Y HN 0.360 nan 8.280 nan 0.000 0.520 105 G N 1.448 110.343 108.800 0.158 0.000 2.796 105 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.571 105 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.571 105 G C -1.878 173.096 174.900 0.123 0.000 1.370 105 G CA -0.436 44.731 45.100 0.111 0.000 0.856 105 G HN 0.032 nan 8.290 nan 0.000 0.538 106 P HA -0.109 nan 4.420 nan 0.000 0.222 106 P C 1.321 178.669 177.300 0.080 0.000 1.147 106 P CA 1.699 64.843 63.100 0.073 0.000 0.790 106 P CB -0.002 31.707 31.700 0.016 0.000 0.780 107 Q N -0.138 119.712 119.800 0.082 0.000 2.369 107 Q HA 0.048 4.388 4.340 -0.000 0.000 0.206 107 Q C 2.349 178.407 176.000 0.097 0.000 0.963 107 Q CA 1.468 57.322 55.803 0.085 0.000 0.894 107 Q CB -1.340 27.445 28.738 0.077 0.000 0.965 107 Q HN 0.280 nan 8.270 nan 0.000 0.475 108 G N -0.251 108.622 108.800 0.121 0.000 2.712 108 G HA2 0.135 4.094 3.960 -0.000 0.000 0.212 108 G HA3 0.135 4.094 3.960 -0.000 0.000 0.212 108 G C -0.052 174.914 174.900 0.110 0.000 1.142 108 G CA -0.092 45.061 45.100 0.088 0.000 0.789 108 G HN 0.171 nan 8.290 nan 0.000 0.535 109 V N 1.112 121.119 119.914 0.155 0.000 2.357 109 V HA 0.420 4.540 4.120 -0.000 0.000 0.284 109 V C -1.054 175.172 176.094 0.220 0.000 1.018 109 V CA -1.145 61.266 62.300 0.186 0.000 0.841 109 V CB 1.323 33.259 31.823 0.188 0.000 0.991 109 V HN 0.163 nan 8.190 nan 0.000 0.437 110 F N 3.995 123.987 119.950 0.070 0.000 2.404 110 F HA 0.683 5.210 4.527 -0.000 0.000 0.358 110 F C 0.989 176.800 175.800 0.020 0.000 1.120 110 F CA -0.630 57.396 58.000 0.043 0.000 1.144 110 F CB 1.384 40.379 39.000 -0.008 0.000 1.133 110 F HN 0.516 nan 8.300 nan 0.000 0.495 111 G N 3.511 111.941 108.800 -0.617 0.000 3.651 111 G HA2 0.180 4.140 3.960 -0.000 0.000 0.279 111 G HA3 0.180 4.140 3.960 -0.000 0.000 0.279 111 G C 1.235 175.623 174.900 -0.854 0.000 1.024 111 G CA 0.221 44.928 45.100 -0.656 0.000 0.813 111 G HN 0.957 nan 8.290 nan 0.000 0.518 112 G N 0.529 108.495 108.800 -1.391 0.000 2.422 112 G HA2 -0.109 3.850 3.960 -0.000 0.000 0.218 112 G HA3 -0.109 3.850 3.960 -0.000 0.000 0.218 112 G C 1.148 175.683 174.900 -0.608 0.000 1.146 112 G CA 1.251 45.847 45.100 -0.840 0.000 0.769 112 G HN 0.966 nan 8.290 nan 0.000 0.547 113 S N -1.179 113.915 115.700 -1.011 0.000 3.410 113 S HA -0.276 4.194 4.470 -0.000 0.000 0.369 113 S C 0.297 174.683 174.600 -0.356 0.000 0.961 113 S CA 0.192 57.680 58.200 -1.187 0.000 1.248 113 S CB -1.690 61.098 63.200 -0.687 0.000 0.914 113 S HN 0.554 nan 8.310 nan 0.000 0.497 114 Y N 0.753 121.082 120.300 0.048 0.000 2.712 114 Y HA 0.407 4.956 4.550 -0.000 0.000 0.333 114 Y C 0.913 177.154 175.900 0.568 0.000 1.225 114 Y CA 1.622 59.948 58.100 0.377 0.000 1.499 114 Y CB 0.305 39.063 38.460 0.497 0.000 1.288 114 Y HN 0.627 nan 8.280 nan 0.000 0.575 115 G N 3.976 112.494 108.800 -0.469 0.000 2.404 115 G HA2 0.015 3.975 3.960 -0.000 0.000 0.298 115 G HA3 0.015 3.975 3.960 -0.000 0.000 0.298 115 G C -1.078 173.865 174.900 0.073 0.000 1.577 115 G CA -0.936 44.174 45.100 0.017 0.000 0.847 115 G HN 0.691 nan 8.290 nan 0.000 0.598 116 W N 2.078 123.462 121.300 0.140 0.000 2.678 116 W HA 0.128 4.788 4.660 -0.000 0.000 0.256 116 W C 2.241 178.867 176.519 0.177 0.000 1.280 116 W CA 1.048 58.544 57.345 0.250 0.000 1.345 116 W CB 0.167 29.781 29.460 0.257 0.000 1.118 116 W HN 1.080 nan 8.180 nan 0.000 0.629 117 K N -0.850 119.746 120.400 0.326 0.000 2.076 117 K HA -0.335 3.984 4.320 -0.000 0.000 0.110 117 K C 0.148 176.961 176.600 0.355 0.000 1.313 117 K CA 1.444 57.882 56.287 0.253 0.000 0.536 117 K CB -1.930 30.629 32.500 0.099 0.000 0.519 117 K HN -0.057 nan 8.250 nan 0.000 0.982 118 S N 1.309 117.081 115.700 0.119 0.000 2.595 118 S HA 0.598 5.068 4.470 -0.000 0.000 0.281 118 S C -2.757 171.603 174.600 -0.399 0.000 1.117 118 S CA -1.093 57.046 58.200 -0.101 0.000 0.873 118 S CB 2.379 65.596 63.200 0.028 0.000 1.108 118 S HN 0.486 nan 8.310 nan 0.000 0.477 119 P HA 0.587 nan 4.420 nan 0.000 0.275 119 P C -0.431 176.722 177.300 -0.244 0.000 1.266 119 P CA 0.027 62.830 63.100 -0.494 0.000 0.793 119 P CB 0.389 31.819 31.700 -0.449 0.000 1.074 120 G N 0.007 108.700 108.800 -0.179 0.000 2.760 120 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.540 120 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.540 120 G C 0.241 175.098 174.900 -0.071 0.000 1.476 120 G CA -0.728 44.337 45.100 -0.059 0.000 0.949 120 G HN 0.249 nan 8.290 nan 0.000 0.633 121 R N 1.229 121.706 120.500 -0.039 0.000 2.153 121 R HA 0.076 4.416 4.340 -0.000 0.000 0.218 121 R C 2.374 178.590 176.300 -0.140 0.000 1.072 121 R CA 1.256 57.267 56.100 -0.148 0.000 0.990 121 R CB -0.569 29.606 30.300 -0.208 0.000 0.889 121 R HN 0.610 nan 8.270 nan 0.000 0.452 122 L N 0.119 121.354 121.223 0.020 0.000 2.189 122 L HA 0.093 4.433 4.340 -0.000 0.000 0.199 122 L C 0.867 177.578 176.870 -0.265 0.000 1.074 122 L CA 1.407 56.180 54.840 -0.111 0.000 0.783 122 L CB -0.329 41.578 42.059 -0.253 0.000 0.955 122 L HN 0.099 nan 8.230 nan 0.000 0.460 123 H N 1.412 120.471 119.070 -0.017 0.000 2.768 123 H HA 0.209 4.765 4.556 -0.000 0.000 0.219 123 H C -0.326 175.002 175.328 -0.000 0.000 1.898 123 H CA -0.135 55.920 56.048 0.012 0.000 1.313 123 H CB -0.913 28.855 29.762 0.011 0.000 1.701 123 H HN 0.255 nan 8.280 nan 0.000 0.534 124 N N 1.922 120.649 118.700 0.044 0.000 2.678 124 N HA -0.014 4.726 4.740 -0.000 0.000 0.231 124 N C 1.395 176.933 175.510 0.046 0.000 1.038 124 N CA -0.406 52.641 53.050 -0.006 0.000 0.932 124 N CB 0.090 38.525 38.487 -0.087 0.000 1.176 124 N HN 0.411 nan 8.380 nan 0.000 0.511 125 C N 1.418 120.786 119.300 0.112 0.000 2.413 125 C HA -0.139 4.321 4.460 -0.000 0.000 0.277 125 C C 2.444 177.484 174.990 0.083 0.000 1.265 125 C CA 1.467 60.599 59.018 0.189 0.000 1.752 125 C CB -1.626 26.255 27.740 0.235 0.000 1.998 125 C HN 0.720 nan 8.230 nan 0.000 0.489 126 T N -1.582 112.966 114.554 -0.009 0.000 2.857 126 T HA -0.110 4.240 4.350 -0.000 0.000 0.266 126 T C 1.602 176.178 174.700 -0.206 0.000 1.048 126 T CA 2.179 64.207 62.100 -0.119 0.000 1.139 126 T CB -1.132 67.675 68.868 -0.101 0.000 0.874 126 T HN 0.581 nan 8.240 nan 0.000 0.455 127 T N 2.152 116.611 114.554 -0.158 0.000 2.857 127 T HA 0.208 4.558 4.350 -0.000 0.000 0.266 127 T C 1.871 176.416 174.700 -0.257 0.000 1.048 127 T CA 0.848 62.830 62.100 -0.198 0.000 1.139 127 T CB -0.434 68.335 68.868 -0.164 0.000 0.874 127 T HN 0.291 nan 8.240 nan 0.000 0.455 128 L N 0.604 121.708 121.223 -0.198 0.000 2.083 128 L HA -0.050 4.290 4.340 -0.000 0.000 0.209 128 L C 2.404 178.898 176.870 -0.626 0.000 1.083 128 L CA 0.681 55.407 54.840 -0.190 0.000 0.752 128 L CB -0.572 41.599 42.059 0.187 0.000 0.899 128 L HN 0.239 nan 8.230 nan 0.000 0.433 129 L N 0.117 120.817 121.223 -0.871 0.000 1.989 129 L HA -0.207 4.133 4.340 -0.000 0.000 0.211 129 L C 2.693 179.013 176.870 -0.917 0.000 1.071 129 L CA 1.795 55.818 54.840 -1.361 0.000 0.749 129 L CB -0.515 41.053 42.059 -0.819 0.000 0.890 129 L HN 0.078 nan 8.230 nan 0.000 0.431 130 R N -0.850 119.232 120.500 -0.697 0.000 2.115 130 R HA -0.141 4.199 4.340 -0.000 0.000 0.230 130 R C 2.457 178.513 176.300 -0.405 0.000 1.111 130 R CA 1.318 56.990 56.100 -0.714 0.000 0.976 130 R CB -0.384 29.539 30.300 -0.627 0.000 0.870 130 R HN 0.417 nan 8.270 nan 0.000 0.445 131 R N 0.578 120.887 120.500 -0.318 0.000 2.081 131 R HA -0.112 4.227 4.340 -0.000 0.000 0.235 131 R C 2.315 178.585 176.300 -0.051 0.000 1.131 131 R CA 1.358 57.346 56.100 -0.187 0.000 0.960 131 R CB -0.106 30.006 30.300 -0.313 0.000 0.856 131 R HN 0.128 nan 8.270 nan 0.000 0.436 132 M N 0.745 120.298 119.600 -0.078 0.000 2.099 132 M HA -0.136 4.344 4.480 -0.000 0.000 0.262 132 M C 1.951 178.185 176.300 -0.110 0.000 1.067 132 M CA 1.653 56.920 55.300 -0.055 0.000 1.124 132 M CB -0.431 31.985 32.600 -0.306 0.000 1.353 132 M HN 0.273 nan 8.290 nan 0.000 0.410 133 L N -0.385 120.693 121.223 -0.241 0.000 2.131 133 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 133 L C 2.257 179.179 176.870 0.087 0.000 1.092 133 L CA 1.418 56.192 54.840 -0.109 0.000 0.759 133 L CB -1.027 40.872 42.059 -0.267 0.000 0.903 133 L HN 0.319 nan 8.230 nan 0.000 0.435 134 T N 0.286 114.897 114.554 0.096 0.000 2.746 134 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 134 T C 1.926 176.674 174.700 0.081 0.000 1.039 134 T CA 1.244 63.432 62.100 0.147 0.000 1.142 134 T CB -0.206 68.729 68.868 0.112 0.000 0.866 134 T HN 0.225 nan 8.240 nan 0.000 0.444 135 L N 0.638 121.900 121.223 0.064 0.000 2.201 135 L HA 0.030 4.370 4.340 -0.000 0.000 0.212 135 L C 2.830 179.734 176.870 0.057 0.000 1.105 135 L CA 0.804 55.682 54.840 0.064 0.000 0.775 135 L CB -0.514 41.596 42.059 0.085 0.000 0.913 135 L HN 0.222 nan 8.230 nan 0.000 0.440 136 A N -0.634 122.220 122.820 0.057 0.000 2.167 136 A HA 0.221 4.541 4.320 -0.000 0.000 0.214 136 A C 1.820 179.445 177.584 0.069 0.000 1.151 136 A CA 1.191 53.266 52.037 0.062 0.000 0.735 136 A CB -0.229 18.810 19.000 0.065 0.000 0.802 136 A HN 0.515 nan 8.150 nan 0.000 0.467 137 G N -3.605 105.237 108.800 0.069 0.000 2.485 137 G HA2 0.439 4.399 3.960 -0.000 0.000 0.181 137 G HA3 0.439 4.399 3.960 -0.000 0.000 0.181 137 G C 0.953 175.883 174.900 0.051 0.000 0.999 137 G CA 0.381 45.515 45.100 0.057 0.000 0.721 137 G HN 2.233 nan 8.290 nan 0.000 0.486 138 G N -1.016 107.838 108.800 0.091 0.000 2.354 138 G HA2 0.639 4.599 3.960 -0.000 0.000 0.582 138 G HA3 0.639 4.599 3.960 -0.000 0.000 0.582 138 G C -0.745 174.230 174.900 0.126 0.000 1.316 138 G CA 0.104 45.222 45.100 0.031 0.000 0.995 138 G HN 2.024 nan 8.290 nan 0.000 0.573 139 Y N -3.749 116.532 120.300 -0.032 0.000 2.741 139 Y HA 0.682 5.232 4.550 -0.000 0.000 0.339 139 Y C -0.681 175.194 175.900 -0.042 0.000 1.226 139 Y CA -1.463 56.612 58.100 -0.042 0.000 1.072 139 Y CB 0.613 39.009 38.460 -0.107 0.000 1.331 139 Y HN 0.881 nan 8.280 nan 0.000 0.453 140 V N 2.878 122.847 119.914 0.092 0.000 2.465 140 V HA 0.356 4.476 4.120 -0.000 0.000 0.279 140 V C -0.307 175.821 176.094 0.056 0.000 1.045 140 V CA -0.365 61.983 62.300 0.079 0.000 0.938 140 V CB 0.995 32.970 31.823 0.254 0.000 0.986 140 V HN 0.767 nan 8.190 nan 0.000 0.467 141 N N 2.446 121.160 118.700 0.024 0.000 2.483 141 N HA 0.649 5.389 4.740 -0.000 0.000 0.285 141 N C -0.078 175.458 175.510 0.043 0.000 1.210 141 N CA -0.070 52.983 53.050 0.004 0.000 0.931 141 N CB 2.127 40.654 38.487 0.067 0.000 1.220 141 N HN 0.762 nan 8.380 nan 0.000 0.542 142 G N -1.086 107.728 108.800 0.024 0.000 2.432 142 G HA2 0.728 4.688 3.960 -0.000 0.000 0.331 142 G HA3 0.728 4.688 3.960 -0.000 0.000 0.331 142 G C -1.386 173.541 174.900 0.045 0.000 1.170 142 G CA -0.443 44.728 45.100 0.119 0.000 0.943 142 G HN 0.611 nan 8.290 nan 0.000 0.483 143 A N -0.045 122.768 122.820 -0.011 0.000 2.374 143 A HA 1.004 5.324 4.320 -0.000 0.000 0.317 143 A C 0.664 178.212 177.584 -0.060 0.000 1.094 143 A CA 0.432 52.437 52.037 -0.054 0.000 0.765 143 A CB 1.171 20.084 19.000 -0.145 0.000 1.268 143 A HN 2.655 nan 8.150 nan 0.000 0.438 144 G N 1.132 109.918 108.800 -0.022 0.000 2.593 144 G HA2 0.287 4.247 3.960 -0.000 0.000 0.237 144 G HA3 0.287 4.247 3.960 -0.000 0.000 0.237 144 G C -0.570 174.314 174.900 -0.027 0.000 1.312 144 G CA 0.878 45.965 45.100 -0.021 0.000 0.896 144 G HN 2.253 nan 8.290 nan 0.000 0.574 145 D N -3.686 116.656 120.400 -0.097 0.000 2.692 145 D HA 0.532 5.172 4.640 -0.000 0.000 0.303 145 D C 0.099 176.255 176.300 -0.240 0.000 1.278 145 D CA -0.680 53.217 54.000 -0.171 0.000 0.852 145 D CB 0.063 40.926 40.800 0.105 0.000 1.375 145 D HN 0.361 nan 8.370 nan 0.000 0.453 146 Y N -0.270 119.846 120.300 -0.306 0.000 2.523 146 Y HA 0.175 4.725 4.550 -0.000 0.000 0.279 146 Y C 2.249 178.181 175.900 0.053 0.000 1.139 146 Y CA 0.593 58.616 58.100 -0.128 0.000 1.296 146 Y CB 0.283 38.645 38.460 -0.163 0.000 1.045 146 Y HN 0.312 nan 8.280 nan 0.000 0.538 147 S N -0.839 115.001 115.700 0.234 0.000 2.348 147 S HA -0.093 4.377 4.470 -0.000 0.000 0.219 147 S C 1.475 176.056 174.600 -0.033 0.000 1.033 147 S CA 1.749 60.093 58.200 0.240 0.000 0.974 147 S CB -0.343 63.014 63.200 0.262 0.000 0.868 147 S HN 0.516 nan 8.310 nan 0.000 0.459 148 T N -1.358 113.055 114.554 -0.236 0.000 3.487 148 T HA 0.435 4.785 4.350 -0.000 0.000 0.287 148 T C 1.303 175.856 174.700 -0.245 0.000 1.004 148 T CA 0.176 62.013 62.100 -0.437 0.000 0.977 148 T CB 0.490 68.787 68.868 -0.952 0.000 1.180 148 T HN 0.199 nan 8.240 nan 0.000 0.490 149 G N 1.828 110.551 108.800 -0.129 0.000 2.505 149 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.220 149 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.220 149 G C 1.541 176.406 174.900 -0.059 0.000 1.145 149 G CA 0.994 46.037 45.100 -0.095 0.000 0.761 149 G HN 0.787 nan 8.290 nan 0.000 0.571 150 A N 0.754 123.545 122.820 -0.048 0.000 1.878 150 A HA 0.512 4.832 4.320 -0.000 0.000 0.213 150 A C 2.818 180.368 177.584 -0.057 0.000 1.192 150 A CA 1.835 53.858 52.037 -0.023 0.000 0.619 150 A CB -0.792 18.226 19.000 0.030 0.000 0.837 150 A HN 0.819 nan 8.150 nan 0.000 0.446 151 A N 0.645 123.410 122.820 -0.091 0.000 1.940 151 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 151 A C 2.197 179.646 177.584 -0.226 0.000 1.176 151 A CA 1.846 53.792 52.037 -0.152 0.000 0.631 151 A CB -0.761 18.063 19.000 -0.293 0.000 0.814 151 A HN 0.777 nan 8.150 nan 0.000 0.446 152 Q N -0.656 118.981 119.800 -0.272 0.000 2.364 152 Q HA -0.027 4.313 4.340 -0.000 0.000 0.207 152 Q C 1.421 177.325 176.000 -0.160 0.000 0.970 152 Q CA 1.657 57.305 55.803 -0.259 0.000 0.888 152 Q CB -0.321 28.253 28.738 -0.275 0.000 0.951 152 Q HN 0.369 nan 8.270 nan 0.000 0.469 153 V N 0.215 120.057 119.914 -0.120 0.000 2.685 153 V HA -0.094 4.026 4.120 -0.000 0.000 0.244 153 V C 1.973 178.001 176.094 -0.110 0.000 1.054 153 V CA 0.723 62.961 62.300 -0.103 0.000 1.076 153 V CB -0.089 31.678 31.823 -0.092 0.000 0.725 153 V HN 0.295 nan 8.190 nan 0.000 0.467 154 I N -0.373 120.122 120.570 -0.126 0.000 2.406 154 I HA -0.095 4.075 4.170 -0.000 0.000 0.249 154 I C 2.242 178.211 176.117 -0.247 0.000 1.122 154 I CA 1.531 62.718 61.300 -0.190 0.000 1.431 154 I CB -0.215 37.633 38.000 -0.253 0.000 1.087 154 I HN 0.099 nan 8.210 nan 0.000 0.424 155 M N 0.649 120.128 119.600 -0.201 0.000 2.108 155 M HA -0.121 4.359 4.480 -0.000 0.000 0.261 155 M C -0.247 175.951 176.300 -0.170 0.000 1.066 155 M CA 1.957 57.154 55.300 -0.173 0.000 1.107 155 M CB -2.474 30.053 32.600 -0.122 0.000 1.356 155 M HN 0.114 nan 8.290 nan 0.000 0.406 156 P HA -0.118 nan 4.420 nan 0.000 0.222 156 P C 1.257 178.387 177.300 -0.284 0.000 1.147 156 P CA 1.161 64.114 63.100 -0.244 0.000 0.790 156 P CB -0.212 31.305 31.700 -0.305 0.000 0.780 157 H N -1.968 116.967 119.070 -0.226 0.000 2.544 157 H HA 0.120 4.676 4.556 -0.000 0.000 0.269 157 H C 1.650 176.823 175.328 -0.257 0.000 0.970 157 H CA 0.854 56.752 56.048 -0.250 0.000 1.219 157 H CB 0.031 29.579 29.762 -0.357 0.000 1.421 157 H HN 0.045 nan 8.280 nan 0.000 0.555 158 V N 0.380 120.187 119.914 -0.178 0.000 2.627 158 V HA -0.067 4.053 4.120 -0.000 0.000 0.239 158 V C 2.258 178.321 176.094 -0.051 0.000 1.077 158 V CA 1.138 63.343 62.300 -0.158 0.000 1.103 158 V CB 0.097 31.738 31.823 -0.303 0.000 0.802 158 V HN 0.310 nan 8.190 nan 0.000 0.482 159 V N -2.343 117.546 119.914 -0.041 0.000 3.528 159 V HA 0.708 4.828 4.120 -0.000 0.000 0.294 159 V C 1.377 177.473 176.094 0.003 0.000 1.404 159 V CA 0.851 63.162 62.300 0.018 0.000 1.065 159 V CB -0.067 31.841 31.823 0.142 0.000 0.904 159 V HN 0.710 nan 8.190 nan 0.000 0.435 160 G N 1.099 109.872 108.800 -0.044 0.000 2.234 160 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.235 160 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.235 160 G C 0.381 175.241 174.900 -0.067 0.000 0.997 160 G CA 0.738 45.802 45.100 -0.060 0.000 0.623 160 G HN 1.295 nan 8.290 nan 0.000 0.514 161 T N -1.499 113.028 114.554 -0.045 0.000 2.864 161 T HA 0.637 4.987 4.350 -0.000 0.000 0.289 161 T C 1.394 176.056 174.700 -0.063 0.000 1.082 161 T CA -0.117 61.953 62.100 -0.050 0.000 1.009 161 T CB 1.410 70.261 68.868 -0.027 0.000 1.234 161 T HN 1.096 nan 8.240 nan 0.000 0.526 162 L N -0.696 120.482 121.223 -0.074 0.000 2.191 162 L HA 0.197 4.537 4.340 -0.000 0.000 0.212 162 L C 1.690 178.484 176.870 -0.127 0.000 1.103 162 L CA 1.972 56.740 54.840 -0.121 0.000 0.769 162 L CB -1.933 40.049 42.059 -0.128 0.000 0.908 162 L HN 1.061 nan 8.230 nan 0.000 0.438 163 E N -0.730 119.443 120.200 -0.045 0.000 5.150 163 E HA -0.320 4.030 4.350 -0.000 0.000 0.167 163 E C 1.513 178.107 176.600 -0.010 0.000 1.196 163 E CA 2.616 59.028 56.400 0.020 0.000 2.189 163 E CB -1.852 27.910 29.700 0.104 0.000 1.820 163 E HN 0.556 nan 8.360 nan 0.000 0.420 164 V N -1.498 118.302 119.914 -0.190 0.000 2.594 164 V HA -0.057 4.063 4.120 -0.000 0.000 0.253 164 V C 1.482 177.537 176.094 -0.063 0.000 1.069 164 V CA 2.098 64.239 62.300 -0.265 0.000 1.082 164 V CB -0.718 30.574 31.823 -0.885 0.000 0.680 164 V HN 0.336 nan 8.190 nan 0.000 0.469 165 Y N 1.199 121.565 120.300 0.111 0.000 2.685 165 Y HA 0.630 5.180 4.550 -0.000 0.000 0.339 165 Y C 0.382 176.462 175.900 0.299 0.000 0.961 165 Y CA -1.637 56.603 58.100 0.234 0.000 1.330 165 Y CB -0.376 38.118 38.460 0.058 0.000 1.269 165 Y HN 0.470 nan 8.280 nan 0.000 0.566 166 E N -0.057 120.362 120.200 0.366 0.000 2.312 166 E HA 0.332 4.682 4.350 -0.000 0.000 0.267 166 E C -0.935 175.707 176.600 0.069 0.000 0.894 166 E CA -1.505 55.041 56.400 0.242 0.000 0.773 166 E CB 1.819 31.574 29.700 0.091 0.000 1.241 166 E HN -0.017 nan 8.360 nan 0.000 0.432 167 Q N 2.130 121.937 119.800 0.012 0.000 2.330 167 Q HA -0.046 4.294 4.340 -0.000 0.000 0.279 167 Q C -0.704 175.223 176.000 -0.121 0.000 1.024 167 Q CA 0.604 56.278 55.803 -0.215 0.000 0.900 167 Q CB 0.522 29.103 28.738 -0.263 0.000 1.221 167 Q HN 0.246 nan 8.270 nan 0.000 0.396 168 Q N 1.968 121.599 119.800 -0.280 0.000 2.199 168 Q HA 0.321 4.661 4.340 -0.000 0.000 0.232 168 Q C -0.374 175.639 176.000 0.022 0.000 0.969 168 Q CA -0.500 55.122 55.803 -0.301 0.000 0.925 168 Q CB 0.702 28.858 28.738 -0.970 0.000 1.198 168 Q HN 0.694 nan 8.270 nan 0.000 0.494 169 T N 1.550 116.077 114.554 -0.045 0.000 2.908 169 T HA 0.178 4.528 4.350 -0.000 0.000 0.301 169 T C 0.179 174.917 174.700 0.064 0.000 1.019 169 T CA -0.025 62.061 62.100 -0.024 0.000 1.152 169 T CB 0.162 68.984 68.868 -0.076 0.000 0.966 169 T HN 0.590 nan 8.240 nan 0.000 0.540 170 A N 3.240 126.138 122.820 0.130 0.000 2.531 170 A HA 0.100 4.420 4.320 -0.000 0.000 0.236 170 A C 1.004 178.664 177.584 0.126 0.000 1.062 170 A CA -0.210 51.912 52.037 0.141 0.000 0.760 170 A CB -0.052 19.065 19.000 0.196 0.000 0.995 170 A HN 1.103 nan 8.150 nan 0.000 0.501 171 W N 1.818 123.233 121.300 0.191 0.000 2.321 171 W HA -0.158 4.502 4.660 -0.000 0.000 0.306 171 W C -0.354 176.222 176.519 0.096 0.000 1.217 171 W CA 2.160 59.589 57.345 0.140 0.000 1.257 171 W CB -0.827 28.717 29.460 0.140 0.000 1.145 171 W HN 0.672 nan 8.180 nan 0.000 0.509 172 P HA -0.128 nan 4.420 nan 0.000 0.220 172 P C 1.441 178.829 177.300 0.147 0.000 1.148 172 P CA 1.524 64.749 63.100 0.209 0.000 0.803 172 P CB -0.163 31.641 31.700 0.174 0.000 0.782 173 V N 0.435 120.424 119.914 0.124 0.000 2.358 173 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 173 V C 2.816 178.941 176.094 0.052 0.000 1.047 173 V CA 1.401 63.742 62.300 0.069 0.000 1.035 173 V CB -1.098 30.747 31.823 0.037 0.000 0.658 173 V HN 0.018 nan 8.190 nan 0.000 0.452 174 L N 0.224 121.483 121.223 0.061 0.000 2.017 174 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 174 L C 2.817 179.732 176.870 0.075 0.000 1.073 174 L CA 1.659 56.517 54.840 0.029 0.000 0.745 174 L CB -1.007 41.045 42.059 -0.013 0.000 0.894 174 L HN 0.365 nan 8.230 nan 0.000 0.432 175 A N -0.206 122.699 122.820 0.141 0.000 1.948 175 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 175 A C 2.144 179.779 177.584 0.085 0.000 1.177 175 A CA 1.712 53.828 52.037 0.131 0.000 0.636 175 A CB -0.301 18.792 19.000 0.155 0.000 0.815 175 A HN 0.407 nan 8.150 nan 0.000 0.449 176 E N -0.656 119.587 120.200 0.072 0.000 2.318 176 E HA 0.016 4.366 4.350 -0.000 0.000 0.193 176 E C 0.983 177.603 176.600 0.033 0.000 0.998 176 E CA 0.472 56.903 56.400 0.052 0.000 0.859 176 E CB -0.103 29.628 29.700 0.051 0.000 0.812 176 E HN 0.700 nan 8.360 nan 0.000 0.492 177 N N 0.039 118.753 118.700 0.023 0.000 2.445 177 N HA 0.019 4.759 4.740 -0.000 0.000 0.204 177 N C 0.116 175.621 175.510 -0.009 0.000 1.098 177 N CA 0.227 53.280 53.050 0.005 0.000 0.859 177 N CB 0.699 39.183 38.487 -0.005 0.000 1.249 177 N HN -0.068 nan 8.380 nan 0.000 0.462 178 T N 1.638 116.182 114.554 -0.017 0.000 2.870 178 T HA 0.124 4.474 4.350 -0.000 0.000 0.300 178 T C 1.101 175.784 174.700 -0.029 0.000 0.989 178 T CA 0.365 62.441 62.100 -0.041 0.000 1.139 178 T CB 1.562 70.385 68.868 -0.075 0.000 0.920 178 T HN 0.140 nan 8.240 nan 0.000 0.537 179 E N 1.266 121.447 120.200 -0.032 0.000 2.244 179 E HA 0.145 4.495 4.350 -0.000 0.000 0.196 179 E C -0.067 176.516 176.600 -0.027 0.000 0.939 179 E CA 0.211 56.601 56.400 -0.017 0.000 0.884 179 E CB 0.650 30.348 29.700 -0.003 0.000 0.850 179 E HN 0.286 nan 8.360 nan 0.000 0.481 180 V N 2.186 122.071 119.914 -0.049 0.000 2.483 180 V HA 0.320 4.440 4.120 -0.000 0.000 0.297 180 V C -0.883 175.114 176.094 -0.162 0.000 1.027 180 V CA -0.688 61.573 62.300 -0.064 0.000 0.855 180 V CB 1.601 33.431 31.823 0.012 0.000 0.995 180 V HN 0.118 nan 8.190 nan 0.000 0.424 181 M N 6.630 126.096 119.600 -0.223 0.000 2.167 181 M HA 0.650 5.130 4.480 -0.000 0.000 0.333 181 M C -1.234 174.796 176.300 -0.449 0.000 1.030 181 M CA -0.126 54.941 55.300 -0.389 0.000 0.963 181 M CB 1.465 33.797 32.600 -0.446 0.000 1.589 181 M HN 0.384 nan 8.290 nan 0.000 0.431 182 V N 6.234 125.863 119.914 -0.475 0.000 2.417 182 V HA 0.486 4.606 4.120 -0.000 0.000 0.291 182 V C -1.024 174.851 176.094 -0.365 0.000 1.024 182 V CA -0.453 61.650 62.300 -0.327 0.000 0.861 182 V CB 1.218 32.894 31.823 -0.246 0.000 0.985 182 V HN 0.664 nan 8.190 nan 0.000 0.436 183 F N 4.168 124.133 119.950 0.026 0.000 2.313 183 F HA 0.377 4.904 4.527 -0.000 0.000 0.369 183 F C -0.134 175.750 175.800 0.138 0.000 1.109 183 F CA -0.579 57.477 58.000 0.094 0.000 1.132 183 F CB 0.982 40.031 39.000 0.082 0.000 1.291 183 F HN 0.522 nan 8.300 nan 0.000 0.496 184 W N 4.672 126.077 121.300 0.174 0.000 2.283 184 W HA 0.503 5.163 4.660 -0.000 0.000 0.317 184 W C 0.277 176.869 176.519 0.122 0.000 1.042 184 W CA -1.203 56.224 57.345 0.136 0.000 1.348 184 W CB 1.127 30.645 29.460 0.096 0.000 1.216 184 W HN 0.749 nan 8.180 nan 0.000 0.404 185 A N 4.055 127.132 122.820 0.428 0.000 2.822 185 A HA 0.068 4.388 4.320 -0.000 0.000 0.287 185 A C -0.062 177.611 177.584 0.148 0.000 1.479 185 A CA 1.429 53.643 52.037 0.294 0.000 0.779 185 A CB -1.789 17.408 19.000 0.327 0.000 1.022 185 A HN 1.485 nan 8.150 nan 0.000 0.532 186 A N -0.570 122.338 122.820 0.146 0.000 2.422 186 A HA 0.671 4.990 4.320 -0.000 0.000 0.302 186 A C -0.543 177.065 177.584 0.040 0.000 1.041 186 A CA 0.294 52.347 52.037 0.027 0.000 0.708 186 A CB 1.211 20.256 19.000 0.076 0.000 1.257 186 A HN 0.831 nan 8.150 nan 0.000 0.414 187 D N 3.370 123.761 120.400 -0.015 0.000 2.441 187 D HA 0.318 4.958 4.640 -0.000 0.000 0.287 187 D C -1.633 174.609 176.300 -0.097 0.000 1.198 187 D CA -1.714 52.258 54.000 -0.047 0.000 0.894 187 D CB 1.218 42.033 40.800 0.026 0.000 1.070 187 D HN 0.189 nan 8.370 nan 0.000 0.499 188 P HA -0.152 nan 4.420 nan 0.000 0.218 188 P C 1.721 178.851 177.300 -0.284 0.000 1.148 188 P CA 0.451 63.449 63.100 -0.168 0.000 0.822 188 P CB 0.609 32.198 31.700 -0.185 0.000 0.784 189 I N 0.663 121.068 120.570 -0.275 0.000 2.226 189 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 189 I C 2.595 178.613 176.117 -0.165 0.000 1.100 189 I CA 1.537 62.703 61.300 -0.222 0.000 1.374 189 I CB -1.242 36.696 38.000 -0.103 0.000 1.057 189 I HN 0.097 nan 8.210 nan 0.000 0.413 190 K N 0.984 121.239 120.400 -0.243 0.000 2.007 190 K HA -0.153 4.166 4.320 -0.000 0.000 0.206 190 K C 2.063 178.437 176.600 -0.376 0.000 1.047 190 K CA 2.085 58.027 56.287 -0.575 0.000 0.937 190 K CB -0.048 32.178 32.500 -0.458 0.000 0.718 190 K HN 0.403 nan 8.250 nan 0.000 0.438 191 T N -1.869 112.570 114.554 -0.193 0.000 3.085 191 T HA 0.053 4.403 4.350 -0.000 0.000 0.263 191 T C 1.622 176.292 174.700 -0.050 0.000 1.127 191 T CA 0.930 62.970 62.100 -0.100 0.000 1.103 191 T CB 0.084 68.946 68.868 -0.010 0.000 0.921 191 T HN 0.018 nan 8.240 nan 0.000 0.510 192 S N 1.530 117.195 115.700 -0.059 0.000 2.603 192 S HA 0.067 4.537 4.470 -0.000 0.000 0.220 192 S C 1.842 176.598 174.600 0.260 0.000 0.967 192 S CA -0.003 58.206 58.200 0.015 0.000 0.920 192 S CB -0.258 62.797 63.200 -0.241 0.000 0.773 192 S HN 0.620 nan 8.310 nan 0.000 0.529 193 Q N 0.001 119.919 119.800 0.197 0.000 2.291 193 Q HA 0.074 4.414 4.340 -0.000 0.000 0.205 193 Q C -0.060 176.134 176.000 0.323 0.000 0.970 193 Q CA 0.728 56.685 55.803 0.256 0.000 0.876 193 Q CB 0.047 28.852 28.738 0.111 0.000 0.935 193 Q HN 0.425 nan 8.270 nan 0.000 0.455 194 I N -0.996 119.642 120.570 0.114 0.000 2.797 194 I HA 0.471 4.641 4.170 -0.000 0.000 0.307 194 I C 0.004 176.149 176.117 0.046 0.000 1.033 194 I CA -0.518 60.776 61.300 -0.009 0.000 1.071 194 I CB 2.230 40.079 38.000 -0.252 0.000 1.255 194 I HN -0.103 nan 8.210 nan 0.000 0.445 195 G N 2.904 111.774 108.800 0.116 0.000 2.612 195 G HA2 0.193 4.153 3.960 -0.000 0.000 0.298 195 G HA3 0.193 4.153 3.960 -0.000 0.000 0.298 195 G C -0.240 174.899 174.900 0.399 0.000 1.336 195 G CA -0.500 44.690 45.100 0.149 0.000 0.953 195 G HN 0.797 nan 8.290 nan 0.000 0.482 196 W N 2.066 123.426 121.300 0.100 0.000 2.378 196 W HA -0.026 4.634 4.660 -0.000 0.000 0.313 196 W C 0.847 177.396 176.519 0.051 0.000 1.197 196 W CA 1.999 59.298 57.345 -0.076 0.000 1.304 196 W CB 0.012 29.341 29.460 -0.218 0.000 1.148 196 W HN 0.451 nan 8.180 nan 0.000 0.494 197 V N 0.162 120.074 119.914 -0.002 0.000 3.561 197 V HA 0.273 4.393 4.120 -0.000 0.000 0.290 197 V C 0.738 176.811 176.094 -0.035 0.000 1.052 197 V CA -1.262 60.967 62.300 -0.119 0.000 0.973 197 V CB -0.045 31.747 31.823 -0.052 0.000 1.243 197 V HN -0.048 nan 8.190 nan 0.000 0.432 198 I N 2.782 123.321 120.570 -0.051 0.000 2.668 198 I HA 0.219 4.389 4.170 -0.000 0.000 0.285 198 I C -2.022 174.089 176.117 -0.010 0.000 1.168 198 I CA -1.795 59.492 61.300 -0.023 0.000 1.424 198 I CB -0.434 37.531 38.000 -0.059 0.000 1.377 198 I HN 0.597 nan 8.210 nan 0.000 0.560 199 P HA 0.137 nan 4.420 nan 0.000 0.278 199 P C 0.103 177.303 177.300 -0.167 0.000 1.238 199 P CA -0.204 62.829 63.100 -0.111 0.000 0.794 199 P CB 1.181 32.760 31.700 -0.202 0.000 0.955 200 E N 1.774 121.944 120.200 -0.050 0.000 2.498 200 E HA -0.067 4.283 4.350 -0.000 0.000 0.203 200 E C -0.114 176.565 176.600 0.131 0.000 1.013 200 E CA -0.058 56.388 56.400 0.076 0.000 0.927 200 E CB -1.023 28.778 29.700 0.167 0.000 1.012 200 E HN 0.611 nan 8.360 nan 0.000 0.482 201 H N -0.429 118.782 119.070 0.235 0.000 2.791 201 H HA -0.139 4.417 4.556 -0.000 0.000 0.302 201 H C 1.180 176.662 175.328 0.258 0.000 1.198 201 H CA -0.030 56.195 56.048 0.295 0.000 1.145 201 H CB -1.574 28.370 29.762 0.304 0.000 1.385 201 H HN 0.439 nan 8.280 nan 0.000 0.409 202 G N -0.025 108.932 108.800 0.261 0.000 2.509 202 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.218 202 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.218 202 G C 1.705 176.606 174.900 0.002 0.000 1.124 202 G CA 0.611 45.816 45.100 0.176 0.000 0.776 202 G HN 0.609 nan 8.290 nan 0.000 0.547 203 A N 0.308 123.106 122.820 -0.037 0.000 1.969 203 A HA 0.052 4.372 4.320 -0.000 0.000 0.218 203 A C 2.091 179.254 177.584 -0.701 0.000 1.169 203 A CA 1.238 53.036 52.037 -0.398 0.000 0.635 203 A CB -0.518 18.325 19.000 -0.261 0.000 0.810 203 A HN 0.417 nan 8.150 nan 0.000 0.445 204 Y N 0.041 120.145 120.300 -0.328 0.000 2.145 204 Y HA -0.102 4.448 4.550 -0.000 0.000 0.286 204 Y C -0.109 175.598 175.900 -0.322 0.000 1.145 204 Y CA 1.912 59.779 58.100 -0.389 0.000 1.148 204 Y CB -1.733 36.487 38.460 -0.401 0.000 0.981 204 Y HN 0.282 nan 8.280 nan 0.000 0.507 205 P HA -0.133 nan 4.420 nan 0.000 0.216 205 P C 1.777 178.961 177.300 -0.193 0.000 1.150 205 P CA 2.183 65.235 63.100 -0.079 0.000 0.837 205 P CB -0.278 31.404 31.700 -0.029 0.000 0.786 206 G N -0.268 108.223 108.800 -0.514 0.000 2.421 206 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 206 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 206 G C 1.491 176.089 174.900 -0.503 0.000 1.171 206 G CA 0.542 45.200 45.100 -0.737 0.000 0.775 206 G HN 0.215 nan 8.290 nan 0.000 0.543 207 L N 0.017 120.900 121.223 -0.567 0.000 2.046 207 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 207 L C 2.884 179.898 176.870 0.241 0.000 1.077 207 L CA 1.290 56.116 54.840 -0.023 0.000 0.747 207 L CB -0.428 41.511 42.059 -0.200 0.000 0.896 207 L HN 0.268 nan 8.230 nan 0.000 0.432 208 E N 0.164 120.425 120.200 0.101 0.000 2.110 208 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 208 E C 2.299 179.007 176.600 0.181 0.000 0.988 208 E CA 1.106 57.652 56.400 0.244 0.000 0.804 208 E CB -0.170 29.624 29.700 0.158 0.000 0.745 208 E HN 0.487 nan 8.360 nan 0.000 0.458 209 A N 1.014 123.907 122.820 0.123 0.000 1.933 209 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 209 A C 2.147 179.835 177.584 0.174 0.000 1.175 209 A CA 0.945 53.058 52.037 0.127 0.000 0.628 209 A CB -0.519 18.547 19.000 0.111 0.000 0.814 209 A HN 0.138 nan 8.150 nan 0.000 0.444 210 L N -0.746 120.629 121.223 0.252 0.000 2.056 210 L HA -0.186 4.154 4.340 -0.000 0.000 0.207 210 L C 2.646 179.698 176.870 0.303 0.000 1.078 210 L CA 1.935 56.947 54.840 0.286 0.000 0.749 210 L CB -0.505 41.774 42.059 0.366 0.000 0.901 210 L HN 0.483 nan 8.230 nan 0.000 0.433 211 K N 0.587 121.222 120.400 0.391 0.000 2.057 211 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 211 K C 2.150 178.810 176.600 0.100 0.000 1.049 211 K CA 1.332 57.755 56.287 0.226 0.000 0.931 211 K CB -0.071 32.378 32.500 -0.086 0.000 0.714 211 K HN 0.240 nan 8.250 nan 0.000 0.440 212 A N 1.424 124.300 122.820 0.095 0.000 1.972 212 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 212 A C 1.840 179.462 177.584 0.064 0.000 1.169 212 A CA 1.374 53.449 52.037 0.064 0.000 0.635 212 A CB -0.270 18.770 19.000 0.068 0.000 0.810 212 A HN 0.183 nan 8.150 nan 0.000 0.446 213 K N -1.537 118.913 120.400 0.084 0.000 2.366 213 K HA 0.043 4.363 4.320 -0.000 0.000 0.198 213 K C 1.262 177.897 176.600 0.058 0.000 1.044 213 K CA 0.825 57.154 56.287 0.070 0.000 0.973 213 K CB -0.329 32.218 32.500 0.079 0.000 0.767 213 K HN 0.813 nan 8.250 nan 0.000 0.475 214 G N 1.859 110.698 108.800 0.066 0.000 2.136 214 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.242 214 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.242 214 G C 0.198 175.125 174.900 0.045 0.000 0.989 214 G CA 0.560 45.691 45.100 0.052 0.000 0.682 214 G HN 0.247 nan 8.290 nan 0.000 0.522 215 T N 0.543 115.128 114.554 0.050 0.000 2.940 215 T HA 0.301 4.651 4.350 -0.000 0.000 0.309 215 T C 0.734 175.429 174.700 -0.007 0.000 1.056 215 T CA 0.620 62.731 62.100 0.018 0.000 1.137 215 T CB 1.039 69.916 68.868 0.015 0.000 0.976 215 T HN 0.481 nan 8.240 nan 0.000 0.547 216 K N 2.791 123.180 120.400 -0.019 0.000 2.339 216 K HA 0.367 4.687 4.320 -0.000 0.000 0.286 216 K C -1.027 175.527 176.600 -0.078 0.000 1.050 216 K CA -0.444 55.829 56.287 -0.023 0.000 0.956 216 K CB 0.390 32.892 32.500 0.003 0.000 0.990 216 K HN 0.300 nan 8.250 nan 0.000 0.475 217 V N 6.536 126.395 119.914 -0.091 0.000 2.495 217 V HA 0.450 4.570 4.120 -0.000 0.000 0.298 217 V C -0.225 175.852 176.094 -0.030 0.000 1.031 217 V CA -0.803 61.404 62.300 -0.156 0.000 0.871 217 V CB 1.480 33.066 31.823 -0.396 0.000 0.988 217 V HN 0.687 nan 8.190 nan 0.000 0.432 218 I N 4.515 125.074 120.570 -0.017 0.000 2.498 218 I HA 0.553 4.723 4.170 -0.000 0.000 0.290 218 I C -0.867 175.294 176.117 0.073 0.000 1.032 218 I CA -0.853 60.474 61.300 0.044 0.000 1.073 218 I CB 2.279 40.319 38.000 0.068 0.000 1.251 218 I HN 0.262 nan 8.210 nan 0.000 0.426 219 V N 7.116 127.102 119.914 0.120 0.000 2.448 219 V HA 0.462 4.582 4.120 -0.000 0.000 0.295 219 V C -0.110 176.051 176.094 0.112 0.000 1.025 219 V CA -0.451 61.945 62.300 0.160 0.000 0.859 219 V CB 1.998 33.924 31.823 0.171 0.000 0.988 219 V HN 0.473 nan 8.190 nan 0.000 0.431 220 I N 4.652 125.205 120.570 -0.028 0.000 2.371 220 I HA 0.550 4.720 4.170 -0.000 0.000 0.282 220 I C -0.763 175.362 176.117 0.013 0.000 1.031 220 I CA 0.122 61.317 61.300 -0.175 0.000 1.180 220 I CB 1.007 38.546 38.000 -0.768 0.000 1.336 220 I HN 0.567 nan 8.210 nan 0.000 0.467 221 D N 8.294 128.779 120.400 0.140 0.000 2.836 221 D HA 0.200 4.839 4.640 -0.000 0.000 0.215 221 D C -2.362 174.082 176.300 0.240 0.000 1.255 221 D CA -1.268 52.852 54.000 0.200 0.000 0.822 221 D CB 3.463 44.393 40.800 0.217 0.000 1.656 221 D HN 0.078 nan 8.370 nan 0.000 0.511 222 P HA -0.004 nan 4.420 nan 0.000 0.230 222 P C 0.453 177.866 177.300 0.189 0.000 1.158 222 P CA 0.302 63.471 63.100 0.115 0.000 0.769 222 P CB 0.613 32.354 31.700 0.068 0.000 0.807 223 V N 1.151 121.208 119.914 0.238 0.000 2.513 223 V HA 0.304 4.424 4.120 -0.000 0.000 0.299 223 V C 0.823 177.032 176.094 0.192 0.000 1.035 223 V CA -0.975 61.453 62.300 0.215 0.000 0.889 223 V CB 2.048 33.972 31.823 0.169 0.000 0.988 223 V HN -0.104 nan 8.190 nan 0.000 0.440 224 R N 3.172 123.763 120.500 0.152 0.000 2.612 224 R HA 0.235 4.575 4.340 -0.000 0.000 0.273 224 R C 0.542 176.824 176.300 -0.030 0.000 1.376 224 R CA -0.133 55.912 56.100 -0.092 0.000 1.171 224 R CB 0.035 30.363 30.300 0.047 0.000 1.151 224 R HN 0.988 nan 8.270 nan 0.000 0.560 225 T N -0.300 114.232 114.554 -0.036 0.000 2.732 225 T HA 0.074 4.424 4.350 -0.000 0.000 0.287 225 T C 1.157 175.903 174.700 0.077 0.000 0.993 225 T CA -0.616 61.525 62.100 0.069 0.000 0.966 225 T CB 1.101 70.026 68.868 0.096 0.000 1.047 225 T HN 0.476 nan 8.240 nan 0.000 0.527 226 K N -0.198 120.293 120.400 0.151 0.000 2.283 226 K HA -0.047 4.273 4.320 -0.000 0.000 0.202 226 K C 2.115 178.793 176.600 0.131 0.000 1.048 226 K CA 1.457 57.835 56.287 0.152 0.000 0.948 226 K CB -0.888 31.759 32.500 0.246 0.000 0.742 226 K HN 0.668 nan 8.250 nan 0.000 0.458 227 T N -0.010 114.602 114.554 0.096 0.000 2.746 227 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 227 T C 1.714 176.555 174.700 0.235 0.000 1.039 227 T CA 1.419 63.584 62.100 0.108 0.000 1.142 227 T CB -0.161 68.686 68.868 -0.035 0.000 0.866 227 T HN 0.001 nan 8.240 nan 0.000 0.444 228 V N 1.659 121.642 119.914 0.115 0.000 2.295 228 V HA -0.131 3.989 4.120 -0.000 0.000 0.246 228 V C 2.695 178.862 176.094 0.122 0.000 1.049 228 V CA 1.527 63.876 62.300 0.082 0.000 1.024 228 V CB -0.471 31.263 31.823 -0.149 0.000 0.648 228 V HN 0.413 nan 8.190 nan 0.000 0.447 229 E N -0.338 119.918 120.200 0.093 0.000 2.051 229 E HA -0.233 4.116 4.350 -0.000 0.000 0.192 229 E C 2.043 178.698 176.600 0.091 0.000 0.991 229 E CA 1.488 57.938 56.400 0.084 0.000 0.799 229 E CB -0.487 29.257 29.700 0.074 0.000 0.748 229 E HN 0.624 nan 8.360 nan 0.000 0.449 230 F N 0.520 120.439 119.950 -0.051 0.000 2.126 230 F HA -0.201 4.326 4.527 -0.000 0.000 0.299 230 F C 1.852 177.519 175.800 -0.222 0.000 1.096 230 F CA 1.282 59.173 58.000 -0.182 0.000 1.255 230 F CB -0.198 38.604 39.000 -0.330 0.000 0.997 230 F HN -0.107 nan 8.300 nan 0.000 0.479 231 F N 0.404 120.320 119.950 -0.057 0.000 2.754 231 F HA 0.304 4.831 4.527 -0.000 0.000 0.297 231 F C 1.938 177.693 175.800 -0.075 0.000 1.122 231 F CA 0.588 58.513 58.000 -0.125 0.000 1.400 231 F CB -0.625 38.418 39.000 0.071 0.000 1.117 231 F HN 0.058 nan 8.300 nan 0.000 0.587 232 G N 1.198 110.073 108.800 0.125 0.000 2.273 232 G HA2 -0.136 3.823 3.960 -0.000 0.000 0.280 232 G HA3 -0.136 3.823 3.960 -0.000 0.000 0.280 232 G C 0.393 175.365 174.900 0.120 0.000 1.047 232 G CA 0.003 45.154 45.100 0.085 0.000 0.869 232 G HN 0.639 nan 8.290 nan 0.000 0.502 233 A N -0.466 122.455 122.820 0.169 0.000 2.366 233 A HA 0.522 4.842 4.320 -0.000 0.000 0.249 233 A C 0.622 178.278 177.584 0.120 0.000 1.084 233 A CA 0.347 52.471 52.037 0.145 0.000 0.794 233 A CB 0.415 19.521 19.000 0.177 0.000 1.034 233 A HN 0.532 nan 8.150 nan 0.000 0.491 234 D N 0.278 120.738 120.400 0.099 0.000 2.371 234 D HA 0.080 4.720 4.640 -0.000 0.000 0.256 234 D C -0.227 176.161 176.300 0.147 0.000 1.193 234 D CA 0.720 54.777 54.000 0.095 0.000 0.881 234 D CB -0.073 40.761 40.800 0.056 0.000 1.143 234 D HN 0.555 nan 8.370 nan 0.000 0.473 235 H N 3.662 122.747 119.070 0.025 0.000 2.541 235 H HA 0.438 4.994 4.556 -0.000 0.000 0.316 235 H C -1.103 174.219 175.328 -0.010 0.000 1.043 235 H CA -0.971 55.089 56.048 0.020 0.000 1.232 235 H CB 0.916 30.703 29.762 0.042 0.000 1.406 235 H HN 0.085 nan 8.280 nan 0.000 0.469 236 V N 4.966 124.843 119.914 -0.062 0.000 2.435 236 V HA 0.172 4.292 4.120 -0.000 0.000 0.290 236 V C 0.238 176.160 176.094 -0.288 0.000 1.030 236 V CA -0.635 61.546 62.300 -0.199 0.000 0.881 236 V CB 1.618 33.346 31.823 -0.158 0.000 0.983 236 V HN 0.919 nan 8.190 nan 0.000 0.445 237 T N 3.385 117.755 114.554 -0.307 0.000 2.963 237 T HA 0.520 4.870 4.350 -0.000 0.000 0.343 237 T C -2.355 172.271 174.700 -0.125 0.000 1.146 237 T CA -1.655 60.309 62.100 -0.226 0.000 1.016 237 T CB 1.338 70.049 68.868 -0.261 0.000 1.046 237 T HN 0.507 nan 8.240 nan 0.000 0.496 238 P HA 0.397 nan 4.420 nan 0.000 0.282 238 P C -0.550 176.720 177.300 -0.050 0.000 1.259 238 P CA -0.822 62.242 63.100 -0.060 0.000 0.826 238 P CB 1.299 32.989 31.700 -0.016 0.000 1.064 239 K N 2.023 122.387 120.400 -0.060 0.000 2.451 239 K HA 0.177 4.497 4.320 -0.000 0.000 0.280 239 K C -2.095 174.463 176.600 -0.071 0.000 1.020 239 K CA -1.203 55.047 56.287 -0.062 0.000 1.008 239 K CB -0.694 31.777 32.500 -0.048 0.000 0.917 239 K HN 0.357 nan 8.250 nan 0.000 0.478 240 P HA -0.094 nan 4.420 nan 0.000 0.266 240 P C -0.698 176.547 177.300 -0.092 0.000 1.193 240 P CA 0.480 63.428 63.100 -0.254 0.000 0.770 240 P CB 0.504 31.676 31.700 -0.880 0.000 0.836 241 Q N -0.994 118.839 119.800 0.055 0.000 2.429 241 Q HA -0.169 4.171 4.340 -0.000 0.000 0.232 241 Q C 0.391 176.584 176.000 0.321 0.000 0.724 241 Q CA 1.428 57.346 55.803 0.191 0.000 1.287 241 Q CB -2.741 26.124 28.738 0.212 0.000 1.429 241 Q HN 0.716 nan 8.270 nan 0.000 0.721 242 T N -4.934 109.752 114.554 0.219 0.000 3.084 242 T HA 0.193 4.543 4.350 -0.000 0.000 0.270 242 T C 0.609 175.386 174.700 0.127 0.000 1.008 242 T CA 0.447 62.637 62.100 0.150 0.000 0.900 242 T CB 0.270 69.094 68.868 -0.074 0.000 1.084 242 T HN 0.107 nan 8.240 nan 0.000 0.538 243 D N 1.850 122.390 120.400 0.233 0.000 2.158 243 D HA -0.102 4.537 4.640 -0.000 0.000 0.197 243 D C 1.992 178.439 176.300 0.244 0.000 0.995 243 D CA 1.004 55.189 54.000 0.309 0.000 0.846 243 D CB -0.223 40.797 40.800 0.367 0.000 0.941 243 D HN 0.258 nan 8.370 nan 0.000 0.456 244 V N 0.902 120.970 119.914 0.256 0.000 2.343 244 V HA -0.271 3.849 4.120 -0.000 0.000 0.247 244 V C 2.394 178.656 176.094 0.280 0.000 1.051 244 V CA 1.818 64.288 62.300 0.283 0.000 1.036 244 V CB -0.790 31.284 31.823 0.418 0.000 0.654 244 V HN 0.278 nan 8.190 nan 0.000 0.451 245 A N -0.065 122.815 122.820 0.100 0.000 1.902 245 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 245 A C 2.178 179.772 177.584 0.018 0.000 1.181 245 A CA 1.959 53.898 52.037 -0.163 0.000 0.623 245 A CB -0.533 17.868 19.000 -0.998 0.000 0.818 245 A HN 0.510 nan 8.150 nan 0.000 0.443 246 I N -0.848 119.747 120.570 0.042 0.000 2.179 246 I HA -0.318 3.852 4.170 -0.000 0.000 0.242 246 I C 2.729 178.996 176.117 0.250 0.000 1.088 246 I CA 1.686 63.068 61.300 0.137 0.000 1.357 246 I CB -0.335 37.792 38.000 0.212 0.000 1.051 246 I HN 0.345 nan 8.210 nan 0.000 0.409 247 M N -0.017 119.757 119.600 0.290 0.000 2.159 247 M HA -0.208 4.272 4.480 -0.000 0.000 0.263 247 M C 2.319 178.765 176.300 0.243 0.000 1.063 247 M CA 1.791 57.246 55.300 0.258 0.000 1.110 247 M CB -0.310 32.349 32.600 0.098 0.000 1.374 247 M HN 0.236 nan 8.290 nan 0.000 0.411 248 L N -0.644 120.741 121.223 0.270 0.000 2.056 248 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 248 L C 2.700 179.716 176.870 0.242 0.000 1.078 248 L CA 1.302 56.309 54.840 0.280 0.000 0.749 248 L CB -1.200 41.049 42.059 0.316 0.000 0.901 248 L HN 0.397 nan 8.230 nan 0.000 0.433 249 G N -0.327 108.627 108.800 0.256 0.000 2.440 249 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 249 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 249 G C 1.628 176.637 174.900 0.182 0.000 1.154 249 G CA 0.781 46.004 45.100 0.205 0.000 0.767 249 G HN 0.201 nan 8.290 nan 0.000 0.552 250 M N 0.680 120.387 119.600 0.179 0.000 2.099 250 M HA 0.030 4.510 4.480 -0.000 0.000 0.262 250 M C 3.079 179.474 176.300 0.159 0.000 1.067 250 M CA 1.390 56.783 55.300 0.155 0.000 1.124 250 M CB -0.234 32.484 32.600 0.196 0.000 1.353 250 M HN 0.305 nan 8.290 nan 0.000 0.410 251 A N -0.542 122.389 122.820 0.185 0.000 1.902 251 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 251 A C 2.053 179.699 177.584 0.103 0.000 1.181 251 A CA 1.744 53.881 52.037 0.165 0.000 0.623 251 A CB -1.220 17.925 19.000 0.242 0.000 0.818 251 A HN 0.566 nan 8.150 nan 0.000 0.443 252 H N 0.164 119.257 119.070 0.038 0.000 2.319 252 H HA -0.120 4.436 4.556 -0.000 0.000 0.299 252 H C 2.018 177.353 175.328 0.011 0.000 1.092 252 H CA 2.176 58.213 56.048 -0.019 0.000 1.302 252 H CB -0.356 29.373 29.762 -0.054 0.000 1.373 252 H HN 0.421 nan 8.280 nan 0.000 0.497 253 T N 1.881 116.517 114.554 0.137 0.000 2.684 253 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 253 T C 2.468 177.192 174.700 0.039 0.000 1.036 253 T CA 1.425 63.581 62.100 0.094 0.000 1.148 253 T CB -0.363 68.562 68.868 0.095 0.000 0.863 253 T HN 0.249 nan 8.240 nan 0.000 0.436 254 L N 0.612 121.874 121.223 0.064 0.000 2.131 254 L HA -0.084 4.256 4.340 -0.000 0.000 0.210 254 L C 2.609 179.578 176.870 0.164 0.000 1.092 254 L CA 0.809 55.718 54.840 0.116 0.000 0.759 254 L CB -0.643 41.505 42.059 0.149 0.000 0.903 254 L HN 0.169 nan 8.230 nan 0.000 0.435 255 V N -0.198 119.734 119.914 0.030 0.000 2.346 255 V HA -0.192 3.928 4.120 -0.000 0.000 0.244 255 V C 2.749 178.849 176.094 0.010 0.000 1.037 255 V CA 1.605 63.929 62.300 0.040 0.000 1.029 255 V CB -0.772 30.958 31.823 -0.155 0.000 0.663 255 V HN 0.438 nan 8.190 nan 0.000 0.454 256 A N -0.007 122.726 122.820 -0.145 0.000 1.892 256 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 256 A C 2.024 179.603 177.584 -0.007 0.000 1.188 256 A CA 2.069 54.040 52.037 -0.110 0.000 0.631 256 A CB -0.516 18.408 19.000 -0.127 0.000 0.822 256 A HN 0.644 nan 8.150 nan 0.000 0.447 257 E N -1.007 119.206 120.200 0.020 0.000 2.494 257 E HA 0.059 4.409 4.350 -0.000 0.000 0.193 257 E C -0.357 176.272 176.600 0.048 0.000 1.074 257 E CA 0.276 56.696 56.400 0.033 0.000 0.867 257 E CB -0.065 29.655 29.700 0.033 0.000 0.924 257 E HN 0.554 nan 8.360 nan 0.000 0.502 258 D N 0.064 120.513 120.400 0.082 0.000 2.689 258 D HA -0.200 4.440 4.640 -0.000 0.000 0.237 258 D C 0.167 176.495 176.300 0.046 0.000 1.148 258 D CA 0.421 54.474 54.000 0.087 0.000 0.656 258 D CB -0.988 39.831 40.800 0.033 0.000 1.050 258 D HN 0.265 nan 8.370 nan 0.000 0.426 259 L N -0.304 120.984 121.223 0.108 0.000 2.515 259 L HA 0.122 4.462 4.340 -0.000 0.000 0.223 259 L C 1.271 178.186 176.870 0.074 0.000 1.079 259 L CA -0.445 54.437 54.840 0.069 0.000 0.857 259 L CB -0.226 41.882 42.059 0.081 0.000 1.050 259 L HN 0.315 nan 8.230 nan 0.000 0.476 260 Y N -0.702 119.607 120.300 0.015 0.000 2.385 260 Y HA 0.101 4.651 4.550 -0.000 0.000 0.346 260 Y C 0.372 176.269 175.900 -0.006 0.000 1.270 260 Y CA -1.217 56.885 58.100 0.003 0.000 1.472 260 Y CB -0.103 38.354 38.460 -0.005 0.000 1.354 260 Y HN -0.118 nan 8.280 nan 0.000 0.611 261 D N 2.216 122.629 120.400 0.022 0.000 2.470 261 D HA 0.061 4.701 4.640 -0.000 0.000 0.226 261 D C 0.327 176.591 176.300 -0.060 0.000 1.196 261 D CA 0.053 54.035 54.000 -0.031 0.000 0.979 261 D CB 0.277 41.117 40.800 0.067 0.000 1.059 261 D HN 0.727 nan 8.370 nan 0.000 0.515 262 K N 1.279 121.495 120.400 -0.307 0.000 2.152 262 K HA -0.131 4.189 4.320 -0.000 0.000 0.206 262 K C 1.146 177.727 176.600 -0.031 0.000 1.048 262 K CA 0.906 57.059 56.287 -0.224 0.000 0.933 262 K CB 0.399 32.726 32.500 -0.288 0.000 0.721 262 K HN 0.332 nan 8.250 nan 0.000 0.447 263 D N 0.370 120.771 120.400 0.001 0.000 2.123 263 D HA -0.135 4.505 4.640 -0.000 0.000 0.200 263 D C 1.721 178.096 176.300 0.126 0.000 0.976 263 D CA 0.898 54.926 54.000 0.046 0.000 0.831 263 D CB -0.198 40.631 40.800 0.048 0.000 0.974 263 D HN 0.083 nan 8.370 nan 0.000 0.469 264 F N 1.761 121.765 119.950 0.089 0.000 2.075 264 F HA -0.186 4.341 4.527 -0.000 0.000 0.297 264 F C 2.191 178.109 175.800 0.197 0.000 1.113 264 F CA 0.974 59.090 58.000 0.194 0.000 1.218 264 F CB -0.088 38.933 39.000 0.035 0.000 0.984 264 F HN -0.194 nan 8.300 nan 0.000 0.472 265 I N 0.962 121.682 120.570 0.250 0.000 2.118 265 I HA -0.350 3.820 4.170 -0.000 0.000 0.241 265 I C 2.771 178.910 176.117 0.037 0.000 1.070 265 I CA 1.711 63.077 61.300 0.109 0.000 1.327 265 I CB -2.105 35.869 38.000 -0.044 0.000 1.034 265 I HN 0.266 nan 8.210 nan 0.000 0.405 266 A N 0.880 123.713 122.820 0.022 0.000 1.908 266 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 266 A C 2.024 179.551 177.584 -0.095 0.000 1.181 266 A CA 1.918 53.949 52.037 -0.010 0.000 0.627 266 A CB -0.592 18.400 19.000 -0.013 0.000 0.818 266 A HN 0.527 nan 8.150 nan 0.000 0.445 267 N N -2.338 116.244 118.700 -0.197 0.000 2.392 267 N HA 0.049 4.789 4.740 -0.000 0.000 0.177 267 N C 0.329 175.407 175.510 -0.719 0.000 1.066 267 N CA 0.842 53.609 53.050 -0.472 0.000 0.895 267 N CB 0.112 38.202 38.487 -0.662 0.000 0.988 267 N HN 0.661 nan 8.380 nan 0.000 0.457 268 Y N 0.041 120.093 120.300 -0.413 0.000 2.527 268 Y HA 0.178 4.728 4.550 -0.000 0.000 0.247 268 Y C 0.972 176.845 175.900 -0.045 0.000 1.138 268 Y CA -0.377 57.493 58.100 -0.384 0.000 1.228 268 Y CB 0.641 38.454 38.460 -1.079 0.000 1.252 268 Y HN -0.113 nan 8.280 nan 0.000 0.531 269 T N -3.056 111.555 114.554 0.094 0.000 2.907 269 T HA 0.690 5.040 4.350 -0.000 0.000 0.290 269 T C -0.586 174.204 174.700 0.150 0.000 1.066 269 T CA -0.951 61.254 62.100 0.174 0.000 1.012 269 T CB 2.196 71.189 68.868 0.207 0.000 1.184 269 T HN -0.116 nan 8.240 nan 0.000 0.522 270 S N -0.909 114.899 115.700 0.180 0.000 2.557 270 S HA 0.636 5.106 4.470 -0.000 0.000 0.291 270 S C 0.840 175.574 174.600 0.223 0.000 1.116 270 S CA 0.489 58.792 58.200 0.172 0.000 0.992 270 S CB 0.601 63.891 63.200 0.149 0.000 1.028 270 S HN 2.319 nan 8.310 nan 0.000 0.484 271 G N 3.432 112.357 108.800 0.208 0.000 2.176 271 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.232 271 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.232 271 G C 0.538 175.583 174.900 0.242 0.000 0.986 271 G CA 0.292 45.527 45.100 0.224 0.000 0.643 271 G HN 0.829 nan 8.290 nan 0.000 0.522 272 F N 2.721 122.743 119.950 0.121 0.000 2.216 272 F HA -0.031 4.496 4.527 0.000 0.000 0.300 272 F C 2.456 178.326 175.800 0.116 0.000 1.085 272 F CA 2.252 60.335 58.000 0.140 0.000 1.326 272 F CB 0.056 39.137 39.000 0.134 0.000 1.027 272 F HN 0.372 nan 8.300 nan 0.000 0.497 273 D N -0.085 120.373 120.400 0.098 0.000 2.218 273 D HA -0.222 4.418 4.640 -0.000 0.000 0.204 273 D C 1.617 177.835 176.300 -0.137 0.000 0.976 273 D CA 1.244 55.225 54.000 -0.031 0.000 0.853 273 D CB -0.598 40.213 40.800 0.018 0.000 0.939 273 D HN 0.355 nan 8.370 nan 0.000 0.481 274 K N -1.051 119.265 120.400 -0.140 0.000 2.361 274 K HA 0.053 4.373 4.320 -0.000 0.000 0.196 274 K C 1.608 178.113 176.600 -0.159 0.000 1.039 274 K CA 0.017 56.177 56.287 -0.211 0.000 1.001 274 K CB 0.025 32.217 32.500 -0.514 0.000 0.795 274 K HN 0.069 nan 8.250 nan 0.000 0.495 275 F N 1.107 120.842 119.950 -0.358 0.000 2.317 275 F HA -0.006 4.521 4.527 0.000 0.000 0.293 275 F C 1.714 177.213 175.800 -0.503 0.000 1.085 275 F CA 0.338 58.025 58.000 -0.521 0.000 1.390 275 F CB -0.101 38.644 39.000 -0.426 0.000 1.077 275 F HN -0.164 nan 8.300 nan 0.000 0.517 276 L N 1.623 122.449 121.223 -0.661 0.000 2.021 276 L HA -0.148 4.192 4.340 -0.000 0.000 0.215 276 L C -0.830 175.760 176.870 -0.467 0.000 1.074 276 L CA 2.357 56.799 54.840 -0.663 0.000 0.760 276 L CB -1.868 39.858 42.059 -0.555 0.000 0.889 276 L HN 0.014 nan 8.230 nan 0.000 0.433 277 P HA -0.220 nan 4.420 nan 0.000 0.216 277 P C 1.311 178.458 177.300 -0.254 0.000 1.150 277 P CA 1.408 64.366 63.100 -0.236 0.000 0.837 277 P CB -0.217 31.387 31.700 -0.159 0.000 0.786 278 Y N 0.342 120.373 120.300 -0.448 0.000 2.163 278 Y HA -0.146 4.404 4.550 -0.000 0.000 0.288 278 Y C 2.083 177.680 175.900 -0.506 0.000 1.136 278 Y CA 1.125 58.964 58.100 -0.435 0.000 1.147 278 Y CB -1.122 37.035 38.460 -0.505 0.000 0.987 278 Y HN -0.231 nan 8.280 nan 0.000 0.509 279 L N -0.101 120.636 121.223 -0.810 0.000 2.042 279 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 279 L C 2.071 178.666 176.870 -0.458 0.000 1.076 279 L CA 1.949 56.339 54.840 -0.750 0.000 0.749 279 L CB -0.679 40.942 42.059 -0.731 0.000 0.893 279 L HN 0.323 nan 8.230 nan 0.000 0.432 280 M N -0.417 118.962 119.600 -0.368 0.000 2.476 280 M HA 0.192 4.672 4.480 -0.000 0.000 0.262 280 M C 1.442 177.596 176.300 -0.243 0.000 1.079 280 M CA 0.930 56.100 55.300 -0.216 0.000 1.104 280 M CB -0.522 31.963 32.600 -0.191 0.000 1.409 280 M HN 0.397 nan 8.290 nan 0.000 0.467 281 G N -0.728 107.860 108.800 -0.353 0.000 2.132 281 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.234 281 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.234 281 G C 0.866 175.644 174.900 -0.202 0.000 0.989 281 G CA 0.517 45.424 45.100 -0.322 0.000 0.676 281 G HN 0.467 nan 8.290 nan 0.000 0.522 282 E N -0.177 119.919 120.200 -0.173 0.000 2.072 282 E HA -0.125 4.224 4.350 -0.000 0.000 0.191 282 E C 2.725 179.275 176.600 -0.083 0.000 0.985 282 E CA 1.742 58.073 56.400 -0.114 0.000 0.801 282 E CB -0.167 29.469 29.700 -0.106 0.000 0.750 282 E HN 0.732 nan 8.360 nan 0.000 0.452 283 T N -0.392 114.119 114.554 -0.072 0.000 3.023 283 T HA -0.089 4.261 4.350 -0.000 0.000 0.266 283 T C 1.003 175.696 174.700 -0.012 0.000 1.093 283 T CA 1.337 63.427 62.100 -0.017 0.000 1.129 283 T CB -0.006 68.894 68.868 0.053 0.000 0.899 283 T HN 0.103 nan 8.240 nan 0.000 0.491 284 D N -1.077 119.291 120.400 -0.053 0.000 2.538 284 D HA 0.217 4.857 4.640 -0.000 0.000 0.241 284 D C 0.399 176.651 176.300 -0.079 0.000 1.297 284 D CA -0.113 53.859 54.000 -0.045 0.000 0.804 284 D CB -0.382 40.405 40.800 -0.022 0.000 1.122 284 D HN 0.195 nan 8.370 nan 0.000 0.519 285 S N -0.817 114.822 115.700 -0.101 0.000 3.561 285 S HA -0.136 4.334 4.470 -0.000 0.000 0.318 285 S C -0.126 174.390 174.600 -0.139 0.000 1.181 285 S CA 1.205 59.344 58.200 -0.101 0.000 0.916 285 S CB -1.952 61.212 63.200 -0.061 0.000 0.966 285 S HN 0.548 nan 8.310 nan 0.000 0.550 286 T N 1.999 116.418 114.554 -0.225 0.000 3.077 286 T HA 0.403 4.753 4.350 -0.000 0.000 0.359 286 T C -2.896 171.498 174.700 -0.511 0.000 1.108 286 T CA -1.081 60.824 62.100 -0.326 0.000 1.170 286 T CB 1.639 70.304 68.868 -0.338 0.000 1.045 286 T HN -0.122 nan 8.240 nan 0.000 0.505 287 P HA 0.142 nan 4.420 nan 0.000 0.268 287 P C 0.036 176.910 177.300 -0.711 0.000 1.204 287 P CA -0.512 62.310 63.100 -0.464 0.000 0.768 287 P CB 0.530 32.045 31.700 -0.309 0.000 0.842 288 K N 2.321 122.256 120.400 -0.775 0.000 2.737 288 K HA 0.118 4.438 4.320 -0.000 0.000 0.251 288 K C 0.539 176.877 176.600 -0.436 0.000 1.280 288 K CA 0.129 55.893 56.287 -0.873 0.000 1.219 288 K CB -1.242 30.776 32.500 -0.804 0.000 1.587 288 K HN 0.485 nan 8.250 nan 0.000 0.279 289 T N -3.024 111.228 114.554 -0.502 0.000 2.766 289 T HA 0.276 4.626 4.350 -0.000 0.000 0.295 289 T C 1.620 176.315 174.700 -0.008 0.000 1.024 289 T CA -0.158 61.664 62.100 -0.463 0.000 1.018 289 T CB 1.286 69.923 68.868 -0.385 0.000 1.002 289 T HN 0.233 nan 8.240 nan 0.000 0.532 290 A N 0.541 123.366 122.820 0.008 0.000 1.978 290 A HA -0.063 4.257 4.320 -0.000 0.000 0.220 290 A C 2.187 179.770 177.584 -0.001 0.000 1.170 290 A CA 1.663 53.720 52.037 0.034 0.000 0.636 290 A CB -0.990 18.026 19.000 0.028 0.000 0.810 290 A HN 0.917 nan 8.150 nan 0.000 0.448 291 E N -1.348 118.849 120.200 -0.005 0.000 2.072 291 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 291 E C 1.565 178.159 176.600 -0.010 0.000 0.985 291 E CA 1.318 57.707 56.400 -0.018 0.000 0.801 291 E CB -0.366 29.324 29.700 -0.016 0.000 0.750 291 E HN 0.879 nan 8.360 nan 0.000 0.452 292 W N 1.351 122.551 121.300 -0.167 0.000 2.381 292 W HA -0.130 4.529 4.660 -0.000 0.000 0.301 292 W C 2.203 178.604 176.519 -0.196 0.000 1.205 292 W CA 2.020 59.258 57.345 -0.179 0.000 1.285 292 W CB -0.396 28.937 29.460 -0.212 0.000 1.133 292 W HN 0.042 nan 8.180 nan 0.000 0.521 293 A N -0.052 122.620 122.820 -0.247 0.000 1.940 293 A HA -0.251 4.068 4.320 -0.000 0.000 0.219 293 A C 2.121 179.428 177.584 -0.461 0.000 1.176 293 A CA 2.320 54.038 52.037 -0.532 0.000 0.631 293 A CB -1.536 17.382 19.000 -0.135 0.000 0.814 293 A HN 0.377 nan 8.150 nan 0.000 0.446 294 S N 0.712 116.248 115.700 -0.274 0.000 2.368 294 S HA -0.244 4.226 4.470 -0.000 0.000 0.225 294 S C 1.786 176.231 174.600 -0.259 0.000 1.030 294 S CA 1.976 60.046 58.200 -0.216 0.000 0.999 294 S CB -0.620 62.499 63.200 -0.135 0.000 0.844 294 S HN 0.802 nan 8.310 nan 0.000 0.459 295 D N 0.585 120.805 120.400 -0.301 0.000 2.221 295 D HA -0.109 4.531 4.640 -0.000 0.000 0.204 295 D C 1.688 177.788 176.300 -0.333 0.000 0.982 295 D CA 1.370 55.205 54.000 -0.275 0.000 0.857 295 D CB -0.378 40.283 40.800 -0.231 0.000 0.934 295 D HN 0.574 nan 8.370 nan 0.000 0.475 296 I N 0.078 120.333 120.570 -0.526 0.000 2.556 296 I HA -0.099 4.071 4.170 -0.000 0.000 0.251 296 I C 2.331 178.234 176.117 -0.357 0.000 1.105 296 I CA 0.996 61.985 61.300 -0.519 0.000 1.436 296 I CB -0.171 37.260 38.000 -0.948 0.000 1.139 296 I HN 0.145 nan 8.210 nan 0.000 0.438 297 S N 0.077 115.560 115.700 -0.363 0.000 2.446 297 S HA 0.143 4.612 4.470 -0.000 0.000 0.225 297 S C 1.795 176.301 174.600 -0.156 0.000 1.016 297 S CA 0.637 58.702 58.200 -0.225 0.000 0.943 297 S CB 0.424 63.502 63.200 -0.205 0.000 0.786 297 S HN 0.586 nan 8.310 nan 0.000 0.508 298 G N 0.406 109.108 108.800 -0.163 0.000 2.199 298 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.254 298 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.254 298 G C 0.078 174.910 174.900 -0.114 0.000 0.982 298 G CA 0.059 45.085 45.100 -0.124 0.000 0.632 298 G HN 0.723 nan 8.290 nan 0.000 0.529 299 V N 2.695 122.537 119.914 -0.121 0.000 2.488 299 V HA 0.388 4.508 4.120 -0.000 0.000 0.277 299 V C -1.425 174.610 176.094 -0.098 0.000 1.046 299 V CA -1.235 61.001 62.300 -0.106 0.000 0.986 299 V CB 1.210 32.971 31.823 -0.104 0.000 0.989 299 V HN 0.136 nan 8.190 nan 0.000 0.475 300 P HA 0.032 nan 4.420 nan 0.000 0.262 300 P C 0.661 177.921 177.300 -0.066 0.000 1.182 300 P CA 0.298 63.355 63.100 -0.072 0.000 0.761 300 P CB 0.662 32.325 31.700 -0.062 0.000 0.795 301 A N 4.448 127.232 122.820 -0.060 0.000 1.917 301 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 301 A C 1.931 179.493 177.584 -0.038 0.000 1.182 301 A CA 1.600 53.610 52.037 -0.045 0.000 0.633 301 A CB -0.857 18.121 19.000 -0.037 0.000 0.819 301 A HN 0.486 nan 8.150 nan 0.000 0.448 302 E N -0.569 119.607 120.200 -0.039 0.000 2.204 302 E HA -0.088 4.262 4.350 -0.000 0.000 0.194 302 E C 2.097 178.666 176.600 -0.051 0.000 0.989 302 E CA 1.459 57.837 56.400 -0.038 0.000 0.824 302 E CB -0.702 28.978 29.700 -0.033 0.000 0.756 302 E HN 0.638 nan 8.360 nan 0.000 0.477 303 T N 1.416 115.934 114.554 -0.060 0.000 2.770 303 T HA -0.024 4.326 4.350 -0.000 0.000 0.263 303 T C 2.110 176.752 174.700 -0.096 0.000 1.039 303 T CA 0.675 62.729 62.100 -0.078 0.000 1.142 303 T CB -0.140 68.681 68.868 -0.079 0.000 0.868 303 T HN 0.113 nan 8.240 nan 0.000 0.435 304 I N 0.899 121.423 120.570 -0.077 0.000 2.208 304 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 304 I C 2.497 178.570 176.117 -0.073 0.000 1.097 304 I CA 1.451 62.712 61.300 -0.066 0.000 1.363 304 I CB -0.312 37.673 38.000 -0.025 0.000 1.051 304 I HN 0.227 nan 8.210 nan 0.000 0.413 305 K N 0.606 120.974 120.400 -0.053 0.000 2.057 305 K HA -0.160 4.160 4.320 -0.000 0.000 0.206 305 K C 2.010 178.558 176.600 -0.086 0.000 1.050 305 K CA 1.332 57.593 56.287 -0.044 0.000 0.935 305 K CB -0.149 32.340 32.500 -0.018 0.000 0.715 305 K HN 0.369 nan 8.250 nan 0.000 0.439 306 E N 0.643 120.783 120.200 -0.100 0.000 2.077 306 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 306 E C 1.927 178.398 176.600 -0.216 0.000 0.989 306 E CA 0.721 57.050 56.400 -0.119 0.000 0.800 306 E CB -0.001 29.644 29.700 -0.092 0.000 0.746 306 E HN 0.059 nan 8.360 nan 0.000 0.452 307 L N 0.935 121.970 121.223 -0.312 0.000 2.017 307 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 307 L C 2.379 178.686 176.870 -0.938 0.000 1.073 307 L CA 1.903 56.344 54.840 -0.664 0.000 0.745 307 L CB -1.316 40.378 42.059 -0.609 0.000 0.894 307 L HN 0.063 nan 8.230 nan 0.000 0.432 308 A N -0.598 121.930 122.820 -0.487 0.000 1.883 308 A HA -0.246 4.073 4.320 -0.000 0.000 0.217 308 A C 2.436 179.939 177.584 -0.134 0.000 1.186 308 A CA 1.843 53.733 52.037 -0.245 0.000 0.624 308 A CB -0.481 18.488 19.000 -0.052 0.000 0.822 308 A HN 0.408 nan 8.150 nan 0.000 0.444 309 R N -1.199 119.232 120.500 -0.114 0.000 2.096 309 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 309 R C 2.141 178.422 176.300 -0.031 0.000 1.127 309 R CA 1.354 57.428 56.100 -0.044 0.000 0.968 309 R CB -0.564 29.714 30.300 -0.038 0.000 0.861 309 R HN 0.504 nan 8.270 nan 0.000 0.440 310 L N 0.247 121.416 121.223 -0.091 0.000 2.017 310 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 310 L C 1.830 178.792 176.870 0.154 0.000 1.073 310 L CA 1.739 56.573 54.840 -0.009 0.000 0.745 310 L CB -0.402 41.625 42.059 -0.054 0.000 0.894 310 L HN -0.015 nan 8.230 nan 0.000 0.432 311 F N 0.156 120.116 119.950 0.017 0.000 2.171 311 F HA -0.148 4.379 4.527 -0.000 0.000 0.300 311 F C 2.522 178.329 175.800 0.012 0.000 1.090 311 F CA 1.289 59.300 58.000 0.019 0.000 1.293 311 F CB -1.179 37.850 39.000 0.047 0.000 1.013 311 F HN 0.164 nan 8.300 nan 0.000 0.486 312 K N 0.697 121.219 120.400 0.204 0.000 2.155 312 K HA -0.078 4.242 4.320 -0.000 0.000 0.203 312 K C 1.939 178.582 176.600 0.072 0.000 1.052 312 K CA 1.338 57.695 56.287 0.116 0.000 0.948 312 K CB -0.268 32.286 32.500 0.090 0.000 0.728 312 K HN 0.216 nan 8.250 nan 0.000 0.448 313 S N -0.974 114.767 115.700 0.068 0.000 2.535 313 S HA 0.225 4.694 4.470 -0.000 0.000 0.214 313 S C 0.208 174.832 174.600 0.040 0.000 0.980 313 S CA -0.387 57.839 58.200 0.043 0.000 0.907 313 S CB 0.249 63.468 63.200 0.030 0.000 0.790 313 S HN -0.103 nan 8.310 nan 0.000 0.510 314 K N 1.540 121.974 120.400 0.057 0.000 2.340 314 K HA 0.447 4.767 4.320 -0.000 0.000 0.244 314 K C -0.800 175.813 176.600 0.021 0.000 0.973 314 K CA -0.892 55.419 56.287 0.040 0.000 0.828 314 K CB 1.379 33.911 32.500 0.054 0.000 1.226 314 K HN 0.032 nan 8.250 nan 0.000 0.437 315 R N 1.062 121.561 120.500 -0.002 0.000 2.402 315 R HA 0.112 4.452 4.340 -0.000 0.000 0.331 315 R C -0.898 175.374 176.300 -0.047 0.000 1.040 315 R CA 0.604 56.689 56.100 -0.026 0.000 0.980 315 R CB -0.689 29.594 30.300 -0.027 0.000 0.967 315 R HN 0.447 nan 8.270 nan 0.000 0.440 316 T N 5.554 120.068 114.554 -0.068 0.000 2.807 316 T HA 0.394 4.744 4.350 -0.000 0.000 0.279 316 T C -0.680 173.921 174.700 -0.164 0.000 0.993 316 T CA -0.604 61.419 62.100 -0.129 0.000 0.970 316 T CB 1.154 69.928 68.868 -0.157 0.000 0.950 316 T HN 0.512 nan 8.240 nan 0.000 0.441 317 M N 4.358 123.835 119.600 -0.205 0.000 2.149 317 M HA 0.490 4.969 4.480 -0.000 0.000 0.342 317 M C -1.637 174.537 176.300 -0.211 0.000 1.068 317 M CA -0.952 54.236 55.300 -0.187 0.000 0.991 317 M CB 0.297 32.757 32.600 -0.234 0.000 1.596 317 M HN 0.486 nan 8.290 nan 0.000 0.439 318 L N 5.539 126.708 121.223 -0.091 0.000 2.288 318 L HA 0.599 4.939 4.340 -0.000 0.000 0.283 318 L C -0.098 176.836 176.870 0.107 0.000 1.072 318 L CA -0.678 54.152 54.840 -0.017 0.000 0.862 318 L CB 0.439 42.522 42.059 0.040 0.000 1.245 318 L HN 0.910 nan 8.230 nan 0.000 0.432 319 A N 3.399 126.245 122.820 0.044 0.000 2.294 319 A HA 0.741 5.061 4.320 -0.000 0.000 0.316 319 A C 0.227 177.985 177.584 0.291 0.000 1.359 319 A CA -0.310 51.852 52.037 0.209 0.000 0.956 319 A CB 0.512 19.579 19.000 0.113 0.000 1.155 319 A HN 0.681 nan 8.150 nan 0.000 0.544 320 A N 2.585 125.593 122.820 0.313 0.000 2.324 320 A HA 0.791 5.111 4.320 -0.000 0.000 0.330 320 A C 0.696 178.356 177.584 0.127 0.000 1.165 320 A CA 0.073 52.288 52.037 0.298 0.000 0.813 320 A CB 0.802 20.001 19.000 0.333 0.000 1.197 320 A HN 1.322 nan 8.150 nan 0.000 0.484 321 G N -0.392 108.395 108.800 -0.023 0.000 2.532 321 G HA2 0.435 4.395 3.960 -0.000 0.000 0.291 321 G HA3 0.435 4.395 3.960 -0.000 0.000 0.291 321 G C -0.050 174.887 174.900 0.062 0.000 1.349 321 G CA -0.271 44.498 45.100 -0.550 0.000 1.038 321 G HN 0.749 nan 8.290 nan 0.000 0.518 322 W N -0.410 120.914 121.300 0.039 0.000 2.998 322 W HA 0.163 4.823 4.660 -0.000 0.000 0.336 322 W C 2.391 179.015 176.519 0.177 0.000 1.112 322 W CA 0.125 57.579 57.345 0.181 0.000 1.682 322 W CB -1.044 28.514 29.460 0.164 0.000 1.065 322 W HN 0.611 nan 8.180 nan 0.000 0.570 323 S N 1.524 117.412 115.700 0.314 0.000 2.370 323 S HA -0.286 4.184 4.470 -0.000 0.000 0.226 323 S C 1.800 176.553 174.600 0.256 0.000 1.033 323 S CA 1.771 60.130 58.200 0.266 0.000 1.011 323 S CB -0.993 62.337 63.200 0.216 0.000 0.852 323 S HN 0.368 nan 8.310 nan 0.000 0.457 324 M N 0.840 120.582 119.600 0.236 0.000 2.632 324 M HA 0.042 4.522 4.480 -0.000 0.000 0.256 324 M C 1.543 177.932 176.300 0.149 0.000 1.080 324 M CA 1.488 56.891 55.300 0.172 0.000 1.084 324 M CB -0.676 31.991 32.600 0.112 0.000 1.439 324 M HN 0.459 nan 8.290 nan 0.000 0.509 325 Q N 0.605 120.541 119.800 0.227 0.000 2.247 325 Q HA 0.212 4.552 4.340 -0.000 0.000 0.211 325 Q C 1.143 177.247 176.000 0.174 0.000 0.861 325 Q CA 0.175 56.100 55.803 0.204 0.000 0.949 325 Q CB -0.027 28.895 28.738 0.307 0.000 1.115 325 Q HN 0.580 nan 8.270 nan 0.000 0.507 326 R N 0.811 121.431 120.500 0.200 0.000 4.031 326 R HA 0.445 4.785 4.340 -0.000 0.000 0.269 326 R C -0.921 175.475 176.300 0.160 0.000 1.668 326 R CA 0.076 56.283 56.100 0.179 0.000 1.432 326 R CB -0.094 30.348 30.300 0.237 0.000 1.374 326 R HN 0.263 nan 8.270 nan 0.000 0.681 327 M N -1.232 118.452 119.600 0.140 0.000 2.664 327 M HA 0.202 4.682 4.480 -0.000 0.000 0.279 327 M C -0.637 175.733 176.300 0.116 0.000 1.275 327 M CA -0.972 54.411 55.300 0.137 0.000 0.829 327 M CB 2.099 34.799 32.600 0.165 0.000 1.727 327 M HN 0.139 nan 8.290 nan 0.000 0.459 328 H N 0.469 119.508 119.070 -0.052 0.000 3.034 328 H HA 0.005 4.561 4.556 -0.000 0.000 0.324 328 H C -0.423 174.774 175.328 -0.219 0.000 1.015 328 H CA 1.372 57.282 56.048 -0.231 0.000 1.429 328 H CB 0.206 29.782 29.762 -0.309 0.000 1.429 328 H HN 0.789 nan 8.280 nan 0.000 0.585 329 H N 0.924 119.937 119.070 -0.094 0.000 2.862 329 H HA -0.171 4.385 4.556 -0.000 0.000 0.290 329 H C 1.600 176.911 175.328 -0.028 0.000 1.211 329 H CA 0.151 56.106 56.048 -0.154 0.000 1.140 329 H CB -1.393 28.181 29.762 -0.313 0.000 1.341 329 H HN 0.920 nan 8.280 nan 0.000 0.392 330 G N 0.489 109.345 108.800 0.093 0.000 2.485 330 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.221 330 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.221 330 G C 1.381 176.350 174.900 0.115 0.000 1.115 330 G CA 1.375 46.538 45.100 0.105 0.000 0.751 330 G HN 0.501 nan 8.290 nan 0.000 0.567 331 E N 0.389 120.656 120.200 0.111 0.000 2.160 331 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 331 E C 2.706 179.435 176.600 0.214 0.000 0.991 331 E CA 1.053 57.530 56.400 0.128 0.000 0.810 331 E CB -0.093 29.669 29.700 0.103 0.000 0.742 331 E HN 0.333 nan 8.360 nan 0.000 0.466 332 Q N 0.052 119.965 119.800 0.188 0.000 2.170 332 Q HA -0.075 4.264 4.340 -0.000 0.000 0.203 332 Q C 2.211 178.275 176.000 0.106 0.000 0.976 332 Q CA 1.364 57.268 55.803 0.169 0.000 0.858 332 Q CB -0.530 28.256 28.738 0.079 0.000 0.907 332 Q HN 0.341 nan 8.270 nan 0.000 0.433 333 A N 0.961 123.801 122.820 0.033 0.000 1.851 333 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 333 A C 1.735 179.159 177.584 -0.267 0.000 1.195 333 A CA 1.988 53.937 52.037 -0.147 0.000 0.622 333 A CB -1.002 17.850 19.000 -0.247 0.000 0.831 333 A HN 0.484 nan 8.150 nan 0.000 0.444 334 H N -3.544 115.536 119.070 0.018 0.000 2.502 334 H HA -0.062 4.494 4.556 -0.000 0.000 0.283 334 H C 1.618 176.946 175.328 0.000 0.000 1.015 334 H CA 0.948 56.978 56.048 -0.031 0.000 1.298 334 H CB -0.041 29.716 29.762 -0.008 0.000 1.411 334 H HN 0.730 nan 8.280 nan 0.000 0.556 335 W N 1.158 122.423 121.300 -0.058 0.000 2.379 335 W HA -0.153 4.507 4.660 0.000 0.000 0.307 335 W C 2.088 178.517 176.519 -0.149 0.000 1.200 335 W CA 1.133 58.417 57.345 -0.101 0.000 1.297 335 W CB -0.557 28.857 29.460 -0.077 0.000 1.140 335 W HN 0.181 nan 8.180 nan 0.000 0.507 336 M N 0.198 119.815 119.600 0.028 0.000 2.175 336 M HA -0.104 4.376 4.480 -0.000 0.000 0.264 336 M C 2.125 178.342 176.300 -0.139 0.000 1.063 336 M CA 1.521 56.757 55.300 -0.107 0.000 1.119 336 M CB -1.260 31.312 32.600 -0.047 0.000 1.377 336 M HN 0.014 nan 8.290 nan 0.000 0.415 337 L N -0.760 120.347 121.223 -0.194 0.000 2.012 337 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 337 L C 2.122 178.825 176.870 -0.278 0.000 1.073 337 L CA 1.550 56.220 54.840 -0.282 0.000 0.748 337 L CB -0.660 41.212 42.059 -0.311 0.000 0.891 337 L HN 0.167 nan 8.230 nan 0.000 0.431 338 V N -0.830 118.891 119.914 -0.322 0.000 2.407 338 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 338 V C 2.445 178.415 176.094 -0.207 0.000 1.055 338 V CA 2.168 64.193 62.300 -0.459 0.000 1.049 338 V CB -0.900 30.656 31.823 -0.446 0.000 0.662 338 V HN 0.564 nan 8.190 nan 0.000 0.455 339 T N 0.438 114.916 114.554 -0.126 0.000 2.708 339 T HA -0.179 4.171 4.350 -0.000 0.000 0.266 339 T C 1.899 176.561 174.700 -0.063 0.000 1.037 339 T CA 1.800 63.834 62.100 -0.109 0.000 1.146 339 T CB -0.340 68.364 68.868 -0.275 0.000 0.865 339 T HN 0.318 nan 8.240 nan 0.000 0.435 340 L N 1.634 122.822 121.223 -0.058 0.000 2.012 340 L HA 0.033 4.373 4.340 -0.000 0.000 0.210 340 L C 2.619 179.482 176.870 -0.012 0.000 1.073 340 L CA 1.989 56.836 54.840 0.011 0.000 0.748 340 L CB -1.087 40.994 42.059 0.038 0.000 0.891 340 L HN 0.229 nan 8.230 nan 0.000 0.431 341 A N -1.418 121.356 122.820 -0.077 0.000 1.940 341 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 341 A C 2.385 179.873 177.584 -0.159 0.000 1.176 341 A CA 2.093 54.075 52.037 -0.091 0.000 0.631 341 A CB -0.979 17.967 19.000 -0.090 0.000 0.814 341 A HN 0.566 nan 8.150 nan 0.000 0.446 342 S N -0.404 115.227 115.700 -0.115 0.000 2.368 342 S HA -0.150 4.320 4.470 -0.000 0.000 0.225 342 S C 1.967 176.526 174.600 -0.069 0.000 1.030 342 S CA 1.784 59.937 58.200 -0.078 0.000 0.999 342 S CB -0.399 62.898 63.200 0.162 0.000 0.844 342 S HN 0.607 nan 8.310 nan 0.000 0.459 343 M N 0.776 120.364 119.600 -0.020 0.000 2.229 343 M HA -0.006 4.474 4.480 -0.000 0.000 0.264 343 M C 1.703 178.036 176.300 0.056 0.000 1.063 343 M CA 1.146 56.470 55.300 0.040 0.000 1.114 343 M CB -0.526 32.094 32.600 0.034 0.000 1.387 343 M HN 0.244 nan 8.290 nan 0.000 0.420 344 L N -0.505 120.706 121.223 -0.020 0.000 2.217 344 L HA 0.048 4.387 4.340 -0.000 0.000 0.211 344 L C 1.487 178.277 176.870 -0.133 0.000 1.107 344 L CA 0.588 55.413 54.840 -0.024 0.000 0.783 344 L CB -0.874 41.181 42.059 -0.006 0.000 0.919 344 L HN 0.595 nan 8.230 nan 0.000 0.442 345 G N 0.338 108.929 108.800 -0.349 0.000 2.198 345 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.260 345 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.260 345 G C 0.570 175.161 174.900 -0.515 0.000 1.025 345 G CA 0.487 45.226 45.100 -0.600 0.000 0.769 345 G HN 0.517 nan 8.290 nan 0.000 0.507 346 Q N -0.998 118.543 119.800 -0.432 0.000 2.219 346 Q HA 0.371 4.711 4.340 -0.000 0.000 0.209 346 Q C 1.181 177.036 176.000 -0.242 0.000 0.854 346 Q CA -0.365 55.285 55.803 -0.256 0.000 0.960 346 Q CB 0.803 29.452 28.738 -0.148 0.000 1.116 346 Q HN 0.698 nan 8.270 nan 0.000 0.500 347 I N 1.058 121.402 120.570 -0.376 0.000 2.668 347 I HA -0.061 4.109 4.170 -0.000 0.000 0.285 347 I C 1.172 177.267 176.117 -0.037 0.000 1.168 347 I CA 1.029 62.221 61.300 -0.180 0.000 1.424 347 I CB 0.388 38.298 38.000 -0.151 0.000 1.377 347 I HN 0.470 nan 8.210 nan 0.000 0.560 348 G N 5.286 114.098 108.800 0.020 0.000 2.175 348 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.244 348 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.244 348 G C 0.067 174.955 174.900 -0.021 0.000 0.982 348 G CA -0.542 44.592 45.100 0.056 0.000 0.641 348 G HN 0.455 nan 8.290 nan 0.000 0.527 349 L N 1.356 122.548 121.223 -0.052 0.000 2.334 349 L HA 0.438 4.778 4.340 -0.000 0.000 0.277 349 L C -1.962 174.871 176.870 -0.063 0.000 1.075 349 L CA -2.195 52.612 54.840 -0.054 0.000 0.804 349 L CB 1.321 43.344 42.059 -0.059 0.000 1.174 349 L HN -0.140 nan 8.230 nan 0.000 0.438 350 P HA 0.063 nan 4.420 nan 0.000 0.263 350 P C 0.679 177.949 177.300 -0.050 0.000 1.195 350 P CA 0.598 63.666 63.100 -0.054 0.000 0.762 350 P CB 0.730 32.411 31.700 -0.032 0.000 0.799 351 G N 2.140 110.905 108.800 -0.060 0.000 2.205 351 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.261 351 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.261 351 G C 0.515 175.365 174.900 -0.083 0.000 0.980 351 G CA -0.123 44.938 45.100 -0.066 0.000 0.632 351 G HN 0.897 nan 8.290 nan 0.000 0.533 352 G N -1.784 106.968 108.800 -0.081 0.000 2.644 352 G HA2 0.893 4.853 3.960 -0.000 0.000 0.307 352 G HA3 0.893 4.853 3.960 -0.000 0.000 0.307 352 G C 0.757 175.603 174.900 -0.089 0.000 1.250 352 G CA 0.940 45.986 45.100 -0.089 0.000 0.996 352 G HN 1.892 nan 8.290 nan 0.000 0.489 353 G N -0.957 107.797 108.800 -0.078 0.000 2.516 353 G HA2 0.393 4.353 3.960 -0.000 0.000 0.220 353 G HA3 0.393 4.353 3.960 -0.000 0.000 0.220 353 G C -0.280 174.676 174.900 0.093 0.000 1.165 353 G CA 0.362 45.447 45.100 -0.025 0.000 1.013 353 G HN 2.089 nan 8.290 nan 0.000 0.590 354 F N -0.960 118.965 119.950 -0.043 0.000 2.643 354 F HA 0.872 5.399 4.527 0.000 0.000 0.314 354 F C 0.079 175.926 175.800 0.078 0.000 1.096 354 F CA -0.546 57.458 58.000 0.006 0.000 0.953 354 F CB 1.610 40.604 39.000 -0.009 0.000 1.345 354 F HN 1.562 nan 8.300 nan 0.000 0.468 355 G N 1.073 110.005 108.800 0.219 0.000 2.753 355 G HA2 0.518 4.478 3.960 -0.000 0.000 0.295 355 G HA3 0.518 4.478 3.960 -0.000 0.000 0.295 355 G C -1.240 173.804 174.900 0.239 0.000 1.437 355 G CA -0.875 44.267 45.100 0.070 0.000 1.094 355 G HN 0.860 nan 8.290 nan 0.000 0.540 356 L N 1.185 122.531 121.223 0.205 0.000 2.769 356 L HA 0.342 4.682 4.340 -0.000 0.000 0.240 356 L C 1.437 178.557 176.870 0.417 0.000 1.163 356 L CA 0.089 55.143 54.840 0.358 0.000 0.962 356 L CB 1.082 43.351 42.059 0.349 0.000 1.258 356 L HN 0.515 nan 8.230 nan 0.000 0.513 357 S N -1.617 114.156 115.700 0.121 0.000 3.073 357 S HA 0.208 4.678 4.470 -0.000 0.000 0.252 357 S C 0.732 175.260 174.600 -0.120 0.000 0.953 357 S CA -0.369 57.847 58.200 0.027 0.000 1.105 357 S CB 0.111 63.401 63.200 0.150 0.000 1.070 357 S HN 0.276 nan 8.310 nan 0.000 0.574 358 Y N 1.516 121.888 120.300 0.120 0.000 2.516 358 Y HA 0.067 4.617 4.550 -0.000 0.000 0.291 358 Y C 2.320 178.380 175.900 0.266 0.000 1.131 358 Y CA 1.260 59.450 58.100 0.150 0.000 1.281 358 Y CB -0.090 38.457 38.460 0.145 0.000 1.013 358 Y HN 0.636 nan 8.280 nan 0.000 0.554 359 H N -3.285 115.914 119.070 0.214 0.000 2.551 359 H HA 0.109 4.665 4.556 -0.000 0.000 0.271 359 H C -0.716 174.655 175.328 0.072 0.000 0.984 359 H CA -0.086 56.013 56.048 0.084 0.000 1.164 359 H CB -0.493 29.245 29.762 -0.041 0.000 1.437 359 H HN 0.289 nan 8.280 nan 0.000 0.550 360 Y N 1.577 121.549 120.300 -0.547 0.000 2.350 360 Y HA 0.372 4.922 4.550 -0.000 0.000 0.338 360 Y C 0.287 176.272 175.900 0.142 0.000 0.961 360 Y CA -0.814 57.116 58.100 -0.284 0.000 1.100 360 Y CB 1.431 39.594 38.460 -0.495 0.000 1.179 360 Y HN 0.174 nan 8.280 nan 0.000 0.454 361 S N 4.051 119.452 115.700 -0.500 0.000 3.462 361 S HA -0.227 4.243 4.470 -0.000 0.000 0.370 361 S C 1.070 175.754 174.600 0.139 0.000 1.028 361 S CA 1.509 59.549 58.200 -0.266 0.000 1.119 361 S CB -1.784 61.086 63.200 -0.550 0.000 0.906 361 S HN 2.017 nan 8.310 nan 0.000 0.471 362 G N -0.511 108.402 108.800 0.188 0.000 2.143 362 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.248 362 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.248 362 G C 0.395 175.487 174.900 0.320 0.000 0.991 362 G CA 0.145 45.423 45.100 0.297 0.000 0.689 362 G HN 1.588 nan 8.290 nan 0.000 0.522 363 G N -1.210 107.670 108.800 0.133 0.000 2.321 363 G HA2 0.487 4.447 3.960 -0.000 0.000 0.237 363 G HA3 0.487 4.447 3.960 -0.000 0.000 0.237 363 G C 1.501 176.288 174.900 -0.189 0.000 1.282 363 G CA 1.615 46.461 45.100 -0.424 0.000 0.886 363 G HN 1.920 nan 8.290 nan 0.000 0.528 364 G N 1.262 109.903 108.800 -0.265 0.000 2.258 364 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.233 364 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.233 364 G C 0.661 175.666 174.900 0.175 0.000 1.006 364 G CA 0.450 45.435 45.100 -0.193 0.000 0.620 364 G HN 1.150 nan 8.290 nan 0.000 0.511 365 T N 4.227 118.993 114.554 0.353 0.000 2.834 365 T HA 0.465 4.815 4.350 -0.000 0.000 0.298 365 T C -2.137 172.711 174.700 0.246 0.000 0.966 365 T CA -0.308 62.031 62.100 0.397 0.000 1.141 365 T CB 1.355 70.428 68.868 0.342 0.000 0.905 365 T HN 0.134 nan 8.240 nan 0.000 0.535 366 P HA 0.035 nan 4.420 nan 0.000 0.260 366 P C -0.403 176.978 177.300 0.135 0.000 1.172 366 P CA 0.150 63.349 63.100 0.165 0.000 0.760 366 P CB 0.262 32.061 31.700 0.165 0.000 0.773 367 S N 1.741 117.492 115.700 0.086 0.000 2.565 367 S HA 0.278 4.748 4.470 -0.000 0.000 0.276 367 S C 0.759 175.407 174.600 0.079 0.000 1.326 367 S CA -0.512 57.730 58.200 0.071 0.000 1.045 367 S CB 0.244 63.441 63.200 -0.004 0.000 0.918 367 S HN 0.580 nan 8.310 nan 0.000 0.505 368 S N 1.582 117.346 115.700 0.108 0.000 2.671 368 S HA 0.302 4.772 4.470 -0.000 0.000 0.272 368 S C 0.921 175.555 174.600 0.057 0.000 1.174 368 S CA -0.197 58.077 58.200 0.123 0.000 1.004 368 S CB 0.721 64.057 63.200 0.227 0.000 1.077 368 S HN 0.713 nan 8.310 nan 0.000 0.553 369 S N -0.704 115.018 115.700 0.037 0.000 2.597 369 S HA 0.361 4.831 4.470 -0.000 0.000 0.224 369 S C 0.907 175.405 174.600 -0.170 0.000 0.955 369 S CA -0.338 57.837 58.200 -0.042 0.000 0.933 369 S CB -0.878 62.311 63.200 -0.019 0.000 0.788 369 S HN 1.072 nan 8.310 nan 0.000 0.488 370 G N 3.177 111.812 108.800 -0.274 0.000 2.594 370 G HA2 0.455 4.415 3.960 -0.000 0.000 0.243 370 G HA3 0.455 4.415 3.960 -0.000 0.000 0.243 370 G C -2.279 172.237 174.900 -0.640 0.000 1.229 370 G CA -1.159 43.387 45.100 -0.924 0.000 0.843 370 G HN 0.313 nan 8.290 nan 0.000 0.578 371 P HA 0.407 nan 4.420 nan 0.000 0.276 371 P C -0.463 176.694 177.300 -0.237 0.000 1.261 371 P CA -0.253 62.628 63.100 -0.364 0.000 0.800 371 P CB 1.245 32.748 31.700 -0.327 0.000 1.066 372 A N 1.794 124.528 122.820 -0.143 0.000 2.310 372 A HA 0.456 4.776 4.320 -0.000 0.000 0.299 372 A C -0.084 177.459 177.584 -0.070 0.000 1.147 372 A CA -0.742 51.246 52.037 -0.082 0.000 0.818 372 A CB 0.009 18.965 19.000 -0.074 0.000 1.096 372 A HN 0.613 nan 8.150 nan 0.000 0.495 373 L N 2.271 123.471 121.223 -0.038 0.000 2.312 373 L HA 0.464 4.804 4.340 -0.000 0.000 0.281 373 L C 0.645 177.462 176.870 -0.088 0.000 1.070 373 L CA -0.262 54.556 54.840 -0.036 0.000 0.805 373 L CB 1.637 43.700 42.059 0.007 0.000 1.174 373 L HN 0.994 nan 8.230 nan 0.000 0.434 374 S N 2.440 118.064 115.700 -0.126 0.000 2.747 374 S HA 0.941 5.411 4.470 -0.000 0.000 0.300 374 S C -0.199 174.074 174.600 -0.546 0.000 1.121 374 S CA -0.296 57.767 58.200 -0.228 0.000 0.995 374 S CB 2.150 65.260 63.200 -0.150 0.000 1.113 374 S HN 0.793 nan 8.310 nan 0.000 0.547 375 G N -0.753 107.623 108.800 -0.706 0.000 2.870 375 G HA2 0.580 4.540 3.960 -0.000 0.000 0.299 375 G HA3 0.580 4.540 3.960 -0.000 0.000 0.299 375 G C -1.245 173.117 174.900 -0.897 0.000 1.324 375 G CA -1.078 43.261 45.100 -1.269 0.000 0.808 375 G HN 0.885 nan 8.290 nan 0.000 0.535 376 I N 1.002 121.164 120.570 -0.680 0.000 2.754 376 I HA 0.385 4.554 4.170 -0.000 0.000 0.285 376 I C 1.085 177.025 176.117 -0.295 0.000 1.166 376 I CA 0.099 61.172 61.300 -0.378 0.000 1.417 376 I CB 1.139 38.845 38.000 -0.491 0.000 1.382 376 I HN 0.718 nan 8.210 nan 0.000 0.588 377 T N 1.097 115.517 114.554 -0.223 0.000 2.927 377 T HA 0.350 4.700 4.350 -0.000 0.000 0.286 377 T C 0.225 174.815 174.700 -0.183 0.000 1.040 377 T CA -0.313 61.686 62.100 -0.168 0.000 1.010 377 T CB 1.453 70.262 68.868 -0.099 0.000 1.177 377 T HN 0.640 nan 8.240 nan 0.000 0.546 378 D N -1.119 119.197 120.400 -0.141 0.000 2.340 378 D HA 0.386 5.026 4.640 -0.000 0.000 0.220 378 D C 1.238 177.484 176.300 -0.089 0.000 1.039 378 D CA 0.324 54.240 54.000 -0.140 0.000 0.866 378 D CB -0.591 40.144 40.800 -0.109 0.000 0.913 378 D HN 1.186 nan 8.370 nan 0.000 0.523 394 A N 0.145 123.019 122.820 0.091 0.000 2.445 394 A HA 0.558 4.878 4.320 -0.000 0.000 0.242 394 A C 1.586 179.220 177.584 0.083 0.000 1.075 394 A CA 0.723 52.806 52.037 0.076 0.000 0.777 394 A CB 0.415 19.494 19.000 0.131 0.000 1.013 394 A HN 1.991 nan 8.150 nan 0.000 0.493 395 S N 0.040 115.759 115.700 0.032 0.000 2.575 395 S HA 0.323 4.793 4.470 -0.000 0.000 0.215 395 S C 0.130 174.735 174.600 0.008 0.000 0.966 395 S CA 0.323 58.521 58.200 -0.003 0.000 0.911 395 S CB -0.334 62.823 63.200 -0.072 0.000 0.780 395 S HN 0.663 nan 8.310 nan 0.000 0.514 396 V N 2.400 122.342 119.914 0.047 0.000 2.733 396 V HA 0.595 4.715 4.120 -0.000 0.000 0.306 396 V C -0.620 175.526 176.094 0.086 0.000 1.084 396 V CA -1.065 61.263 62.300 0.046 0.000 0.905 396 V CB 1.759 33.574 31.823 -0.014 0.000 1.010 396 V HN 0.515 nan 8.190 nan 0.000 0.424 397 I N 1.863 122.482 120.570 0.082 0.000 2.785 397 I HA 0.802 4.972 4.170 -0.000 0.000 0.302 397 I C -2.914 173.143 176.117 -0.100 0.000 1.069 397 I CA -2.896 58.404 61.300 0.001 0.000 1.045 397 I CB 2.464 40.474 38.000 0.018 0.000 1.236 397 I HN 0.332 nan 8.210 nan 0.000 0.429 398 P HA 0.040 nan 4.420 nan 0.000 0.267 398 P C 1.235 178.460 177.300 -0.125 0.000 1.205 398 P CA -0.400 62.563 63.100 -0.228 0.000 0.765 398 P CB 0.996 32.577 31.700 -0.199 0.000 0.828 399 V N 2.381 122.235 119.914 -0.100 0.000 2.313 399 V HA -0.327 3.793 4.120 -0.000 0.000 0.253 399 V C 1.807 177.858 176.094 -0.072 0.000 1.070 399 V CA 2.319 64.602 62.300 -0.028 0.000 1.057 399 V CB -2.167 29.605 31.823 -0.086 0.000 0.653 399 V HN 0.521 nan 8.190 nan 0.000 0.450 400 A N -0.274 122.388 122.820 -0.264 0.000 2.235 400 A HA 0.098 4.418 4.320 -0.000 0.000 0.208 400 A C 1.993 179.588 177.584 0.017 0.000 1.172 400 A CA 0.518 52.469 52.037 -0.142 0.000 0.786 400 A CB -0.420 18.386 19.000 -0.324 0.000 0.804 400 A HN 0.529 nan 8.150 nan 0.000 0.479 401 R N -0.553 119.898 120.500 -0.081 0.000 2.356 401 R HA 0.091 4.431 4.340 -0.000 0.000 0.234 401 R C 1.509 177.649 176.300 -0.267 0.000 0.929 401 R CA 0.417 56.439 56.100 -0.130 0.000 1.084 401 R CB -0.839 29.382 30.300 -0.132 0.000 1.105 401 R HN 0.388 nan 8.270 nan 0.000 0.515 402 V N 0.519 120.284 119.914 -0.248 0.000 2.324 402 V HA -0.236 3.884 4.120 -0.000 0.000 0.250 402 V C 1.959 177.797 176.094 -0.426 0.000 1.060 402 V CA 1.849 63.908 62.300 -0.401 0.000 1.042 402 V CB 0.021 31.665 31.823 -0.300 0.000 0.650 402 V HN 0.080 nan 8.190 nan 0.000 0.450 403 V N -0.015 119.711 119.914 -0.313 0.000 2.591 403 V HA -0.125 3.994 4.120 -0.000 0.000 0.249 403 V C 2.308 178.229 176.094 -0.289 0.000 1.053 403 V CA 1.972 64.140 62.300 -0.220 0.000 1.068 403 V CB -0.672 31.125 31.823 -0.043 0.000 0.689 403 V HN 0.568 nan 8.190 nan 0.000 0.462 404 D N -0.215 119.986 120.400 -0.331 0.000 2.123 404 D HA -0.222 4.418 4.640 -0.000 0.000 0.196 404 D C 2.056 177.831 176.300 -0.874 0.000 0.992 404 D CA 1.663 55.406 54.000 -0.429 0.000 0.833 404 D CB -0.194 40.423 40.800 -0.304 0.000 0.954 404 D HN 0.399 nan 8.370 nan 0.000 0.455 405 M N 0.263 119.111 119.600 -1.253 0.000 2.065 405 M HA -0.178 4.302 4.480 -0.000 0.000 0.259 405 M C 2.092 178.003 176.300 -0.649 0.000 1.069 405 M CA 1.342 55.812 55.300 -1.385 0.000 1.110 405 M CB -0.100 31.969 32.600 -0.884 0.000 1.328 405 M HN -0.032 nan 8.290 nan 0.000 0.405 406 L N 0.002 120.923 121.223 -0.504 0.000 2.042 406 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 406 L C 2.301 179.016 176.870 -0.259 0.000 1.076 406 L CA 1.713 56.337 54.840 -0.361 0.000 0.749 406 L CB -0.876 40.966 42.059 -0.361 0.000 0.893 406 L HN 0.437 nan 8.230 nan 0.000 0.432 407 E N -0.291 119.762 120.200 -0.246 0.000 2.216 407 E HA -0.049 4.301 4.350 -0.000 0.000 0.192 407 E C 0.340 176.869 176.600 -0.118 0.000 0.988 407 E CA 0.468 56.777 56.400 -0.152 0.000 0.834 407 E CB 0.111 29.738 29.700 -0.121 0.000 0.772 407 E HN 0.492 nan 8.360 nan 0.000 0.479 408 N N 1.695 120.297 118.700 -0.164 0.000 2.818 408 N HA 0.163 4.903 4.740 -0.000 0.000 0.301 408 N C -2.686 172.861 175.510 0.061 0.000 1.821 408 N CA -1.016 52.021 53.050 -0.022 0.000 0.930 408 N CB 1.167 39.701 38.487 0.078 0.000 1.263 408 N HN 0.075 nan 8.380 nan 0.000 0.487 409 P HA 0.056 nan 4.420 nan 0.000 0.268 409 P C 1.008 178.383 177.300 0.126 0.000 1.204 409 P CA 0.914 64.054 63.100 0.066 0.000 0.768 409 P CB 0.873 32.572 31.700 -0.003 0.000 0.842 410 G N 1.780 110.687 108.800 0.178 0.000 2.205 410 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.261 410 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.261 410 G C 0.411 175.394 174.900 0.137 0.000 0.980 410 G CA 0.177 45.356 45.100 0.133 0.000 0.632 410 G HN 0.895 nan 8.290 nan 0.000 0.533 411 A N 0.074 123.027 122.820 0.222 0.000 2.332 411 A HA 0.663 4.983 4.320 -0.000 0.000 0.258 411 A C 0.421 178.060 177.584 0.091 0.000 1.087 411 A CA 0.077 52.226 52.037 0.186 0.000 0.802 411 A CB 0.418 19.577 19.000 0.265 0.000 1.042 411 A HN 0.473 nan 8.150 nan 0.000 0.489 412 E N -0.452 119.756 120.200 0.014 0.000 2.318 412 E HA 0.551 4.901 4.350 -0.000 0.000 0.265 412 E C -1.116 175.435 176.600 -0.082 0.000 1.069 412 E CA -0.043 56.289 56.400 -0.113 0.000 0.893 412 E CB 1.228 30.866 29.700 -0.103 0.000 1.076 412 E HN 0.552 nan 8.360 nan 0.000 0.414 413 F N -1.396 118.373 119.950 -0.301 0.000 2.631 413 F HA 0.470 4.997 4.527 -0.000 0.000 0.308 413 F C -0.963 174.769 175.800 -0.113 0.000 1.097 413 F CA -1.228 56.628 58.000 -0.240 0.000 0.952 413 F CB 1.254 39.992 39.000 -0.435 0.000 1.307 413 F HN 0.111 nan 8.300 nan 0.000 0.450 414 D N 1.704 122.144 120.400 0.066 0.000 2.193 414 D HA 0.463 5.102 4.640 -0.000 0.000 0.249 414 D C -1.678 174.742 176.300 0.199 0.000 1.034 414 D CA 0.117 54.136 54.000 0.031 0.000 0.902 414 D CB 2.579 43.358 40.800 -0.036 0.000 1.182 414 D HN 0.613 nan 8.370 nan 0.000 0.436 415 F N 2.124 122.085 119.950 0.019 0.000 2.749 415 F HA 0.125 4.652 4.527 -0.000 0.000 0.339 415 F C -0.049 175.810 175.800 0.098 0.000 1.211 415 F CA -0.726 57.318 58.000 0.074 0.000 1.099 415 F CB 0.651 39.748 39.000 0.160 0.000 1.359 415 F HN 0.203 nan 8.300 nan 0.000 0.549 416 N N 4.137 122.488 118.700 -0.581 0.000 2.716 416 N HA -0.184 4.556 4.740 -0.000 0.000 0.250 416 N C 0.852 176.347 175.510 -0.026 0.000 1.033 416 N CA 2.168 55.011 53.050 -0.344 0.000 0.727 416 N CB -0.959 37.184 38.487 -0.573 0.000 0.950 416 N HN 1.743 nan 8.380 nan 0.000 0.541 417 G N -2.810 106.064 108.800 0.123 0.000 2.175 417 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.244 417 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.244 417 G C 0.156 175.073 174.900 0.028 0.000 0.982 417 G CA 1.174 46.282 45.100 0.014 0.000 0.641 417 G HN 1.409 nan 8.290 nan 0.000 0.527 418 T N -2.510 112.084 114.554 0.066 0.000 2.932 418 T HA 0.761 5.111 4.350 -0.000 0.000 0.289 418 T C -0.408 174.272 174.700 -0.034 0.000 1.039 418 T CA -0.539 61.570 62.100 0.015 0.000 1.024 418 T CB 2.774 71.659 68.868 0.029 0.000 1.090 418 T HN 0.536 nan 8.240 nan 0.000 0.496 419 R N 1.102 121.532 120.500 -0.117 0.000 2.534 419 R HA 0.696 5.036 4.340 -0.000 0.000 0.301 419 R C -0.992 175.090 176.300 -0.363 0.000 0.961 419 R CA -0.389 55.570 56.100 -0.235 0.000 0.871 419 R CB 1.726 31.941 30.300 -0.141 0.000 1.170 419 R HN 0.864 nan 8.270 nan 0.000 0.446 420 S N 2.020 117.291 115.700 -0.715 0.000 2.704 420 S HA 0.561 5.031 4.470 -0.000 0.000 0.296 420 S C -1.296 172.906 174.600 -0.664 0.000 1.138 420 S CA -1.015 56.783 58.200 -0.671 0.000 0.875 420 S CB 1.869 64.634 63.200 -0.725 0.000 1.151 420 S HN 0.463 nan 8.310 nan 0.000 0.500 421 K N 0.345 120.566 120.400 -0.297 0.000 2.203 421 K HA 0.515 4.834 4.320 -0.000 0.000 0.251 421 K C -1.368 175.292 176.600 0.099 0.000 0.944 421 K CA -0.544 55.679 56.287 -0.106 0.000 0.829 421 K CB 0.940 33.426 32.500 -0.023 0.000 1.125 421 K HN 0.342 nan 8.250 nan 0.000 0.430 422 F N 3.592 123.701 119.950 0.266 0.000 2.443 422 F HA 0.159 4.686 4.527 -0.000 0.000 0.353 422 F C -1.512 174.337 175.800 0.082 0.000 1.101 422 F CA -1.861 56.242 58.000 0.173 0.000 1.226 422 F CB 0.155 39.193 39.000 0.063 0.000 1.140 422 F HN 0.326 nan 8.300 nan 0.000 0.557 423 P HA 0.034 nan 4.420 nan 0.000 0.276 423 P C -0.832 176.519 177.300 0.085 0.000 1.252 423 P CA -0.379 62.809 63.100 0.147 0.000 0.802 423 P CB 0.990 32.769 31.700 0.132 0.000 1.035 424 D N 0.938 121.362 120.400 0.041 0.000 2.500 424 D HA 0.190 4.830 4.640 -0.000 0.000 0.219 424 D C -0.479 175.771 176.300 -0.084 0.000 1.137 424 D CA -0.379 53.605 54.000 -0.026 0.000 0.946 424 D CB -0.505 40.283 40.800 -0.019 0.000 1.022 424 D HN -0.098 nan 8.370 nan 0.000 0.518 425 V N 4.826 124.678 119.914 -0.102 0.000 2.555 425 V HA 0.117 4.237 4.120 -0.000 0.000 0.286 425 V C 1.418 177.391 176.094 -0.202 0.000 1.044 425 V CA 0.043 62.275 62.300 -0.113 0.000 1.026 425 V CB 1.506 33.271 31.823 -0.097 0.000 0.981 425 V HN 0.383 nan 8.190 nan 0.000 0.480 426 K N 3.566 123.842 120.400 -0.206 0.000 2.399 426 K HA 0.372 4.691 4.320 -0.000 0.000 0.196 426 K C 0.034 176.587 176.600 -0.078 0.000 1.103 426 K CA 0.380 56.519 56.287 -0.247 0.000 0.986 426 K CB 0.814 32.989 32.500 -0.542 0.000 0.952 426 K HN 0.669 nan 8.250 nan 0.000 0.541 427 M N 0.060 119.664 119.600 0.008 0.000 2.484 427 M HA 0.547 5.027 4.480 -0.000 0.000 0.289 427 M C -2.007 174.396 176.300 0.171 0.000 1.206 427 M CA -0.661 54.701 55.300 0.103 0.000 0.892 427 M CB 2.526 35.228 32.600 0.170 0.000 1.712 427 M HN -0.062 nan 8.290 nan 0.000 0.462 428 A N 2.871 125.852 122.820 0.269 0.000 2.393 428 A HA 0.735 5.055 4.320 -0.000 0.000 0.306 428 A C -2.460 175.479 177.584 0.593 0.000 1.050 428 A CA -0.391 51.919 52.037 0.455 0.000 0.724 428 A CB 1.373 20.654 19.000 0.469 0.000 1.248 428 A HN 0.802 nan 8.150 nan 0.000 0.424 429 Y N 2.082 122.585 120.300 0.338 0.000 2.326 429 Y HA 0.570 5.120 4.550 -0.000 0.000 0.331 429 Y C -1.290 174.732 175.900 0.203 0.000 0.962 429 Y CA -1.318 56.919 58.100 0.227 0.000 1.167 429 Y CB 1.129 39.634 38.460 0.075 0.000 1.148 429 Y HN 0.703 nan 8.280 nan 0.000 0.463 430 W N 7.839 129.385 121.300 0.411 0.000 2.656 430 W HA 0.662 5.322 4.660 -0.000 0.000 0.327 430 W C -1.467 175.167 176.519 0.192 0.000 1.041 430 W CA -0.830 56.711 57.345 0.327 0.000 1.229 430 W CB 1.795 31.515 29.460 0.433 0.000 1.397 430 W HN 0.449 nan 8.180 nan 0.000 0.479 431 V N 1.345 121.472 119.914 0.355 0.000 2.971 431 V HA 0.856 4.976 4.120 -0.000 0.000 0.309 431 V C 0.399 176.663 176.094 0.283 0.000 1.130 431 V CA -0.300 62.155 62.300 0.259 0.000 0.964 431 V CB 1.224 33.127 31.823 0.134 0.000 1.029 431 V HN 1.072 nan 8.190 nan 0.000 0.427 432 G N 1.463 110.408 108.800 0.242 0.000 2.203 432 G HA2 0.174 4.134 3.960 -0.000 0.000 0.263 432 G HA3 0.174 4.134 3.960 -0.000 0.000 0.263 432 G C 0.621 175.705 174.900 0.307 0.000 1.012 432 G CA 0.637 45.873 45.100 0.226 0.000 0.749 432 G HN 2.307 nan 8.290 nan 0.000 0.512 433 G N -1.281 107.769 108.800 0.417 0.000 2.690 433 G HA2 0.550 4.510 3.960 -0.000 0.000 0.293 433 G HA3 0.550 4.510 3.960 -0.000 0.000 0.293 433 G C -0.908 174.125 174.900 0.222 0.000 1.399 433 G CA -0.245 45.156 45.100 0.501 0.000 0.890 433 G HN 0.539 nan 8.290 nan 0.000 0.485 434 N N 0.984 119.766 118.700 0.136 0.000 2.723 434 N HA 0.323 5.063 4.740 -0.000 0.000 0.290 434 N C -1.413 173.817 175.510 -0.467 0.000 1.882 434 N CA -1.909 51.069 53.050 -0.119 0.000 0.851 434 N CB 1.868 40.348 38.487 -0.011 0.000 1.234 434 N HN 0.168 nan 8.380 nan 0.000 0.491 435 P HA -0.119 nan 4.420 nan 0.000 0.219 435 P C 0.892 177.574 177.300 -1.029 0.000 1.146 435 P CA 0.886 63.075 63.100 -1.518 0.000 0.808 435 P CB -0.026 30.711 31.700 -1.605 0.000 0.779 436 F N -0.900 118.608 119.950 -0.737 0.000 2.805 436 F HA -0.016 4.511 4.527 -0.000 0.000 0.301 436 F C 2.033 177.597 175.800 -0.394 0.000 1.196 436 F CA 0.570 58.206 58.000 -0.607 0.000 1.439 436 F CB -0.130 38.522 39.000 -0.580 0.000 1.117 436 F HN -0.218 nan 8.300 nan 0.000 0.581 437 V N -1.745 118.027 119.914 -0.236 0.000 3.103 437 V HA -0.107 4.013 4.120 -0.000 0.000 0.229 437 V C 2.195 178.236 176.094 -0.088 0.000 1.304 437 V CA 0.751 63.007 62.300 -0.073 0.000 1.298 437 V CB -0.341 31.530 31.823 0.080 0.000 1.093 437 V HN 0.388 nan 8.190 nan 0.000 0.489 438 H N -0.198 118.778 119.070 -0.156 0.000 2.462 438 H HA -0.032 4.524 4.556 -0.000 0.000 0.292 438 H C 1.097 176.266 175.328 -0.264 0.000 1.049 438 H CA 0.812 56.720 56.048 -0.235 0.000 1.334 438 H CB 0.083 29.652 29.762 -0.322 0.000 1.404 438 H HN 0.507 nan 8.280 nan 0.000 0.544 439 H N 1.481 120.411 119.070 -0.234 0.000 2.562 439 H HA 0.177 4.733 4.556 -0.000 0.000 0.352 439 H C -0.342 174.917 175.328 -0.115 0.000 1.125 439 H CA -0.486 55.511 56.048 -0.085 0.000 1.379 439 H CB 1.065 30.694 29.762 -0.222 0.000 1.464 439 H HN 0.226 nan 8.280 nan 0.000 0.563 440 Q N 1.553 120.895 119.800 -0.762 0.000 2.354 440 Q HA 0.184 4.524 4.340 -0.000 0.000 0.244 440 Q C -0.402 175.362 176.000 -0.393 0.000 0.969 440 Q CA -0.054 55.471 55.803 -0.463 0.000 0.885 440 Q CB 0.390 28.922 28.738 -0.343 0.000 1.241 440 Q HN 0.753 nan 8.270 nan 0.000 0.461 441 D N 0.342 120.598 120.400 -0.240 0.000 3.082 441 D HA -0.185 4.455 4.640 -0.000 0.000 0.234 441 D C 0.568 176.750 176.300 -0.197 0.000 1.159 441 D CA 0.258 54.151 54.000 -0.179 0.000 0.875 441 D CB -0.174 40.544 40.800 -0.136 0.000 0.946 441 D HN 0.635 nan 8.370 nan 0.000 0.411 442 R N 1.788 122.136 120.500 -0.254 0.000 2.103 442 R HA -0.111 4.229 4.340 -0.000 0.000 0.242 442 R C 1.881 178.032 176.300 -0.249 0.000 1.142 442 R CA 2.260 58.145 56.100 -0.359 0.000 0.960 442 R CB -0.217 29.745 30.300 -0.563 0.000 0.858 442 R HN 0.404 nan 8.270 nan 0.000 0.439 443 N N 0.148 118.761 118.700 -0.144 0.000 2.166 443 N HA -0.180 4.560 4.740 -0.000 0.000 0.186 443 N C 1.727 177.211 175.510 -0.043 0.000 1.019 443 N CA 1.318 54.335 53.050 -0.055 0.000 0.856 443 N CB -0.321 38.157 38.487 -0.015 0.000 0.993 443 N HN 0.318 nan 8.380 nan 0.000 0.426 444 R N 0.916 121.380 120.500 -0.060 0.000 2.066 444 R HA -0.014 4.326 4.340 -0.000 0.000 0.232 444 R C 2.311 178.590 176.300 -0.035 0.000 1.131 444 R CA 1.043 57.121 56.100 -0.038 0.000 0.955 444 R CB -0.220 30.055 30.300 -0.041 0.000 0.851 444 R HN 0.159 nan 8.270 nan 0.000 0.432 445 M N 0.374 119.923 119.600 -0.086 0.000 2.086 445 M HA -0.161 4.319 4.480 -0.000 0.000 0.261 445 M C 1.905 178.148 176.300 -0.094 0.000 1.067 445 M CA 1.686 56.908 55.300 -0.131 0.000 1.116 445 M CB -0.014 32.379 32.600 -0.346 0.000 1.348 445 M HN 0.106 nan 8.290 nan 0.000 0.407 446 V N 1.038 120.899 119.914 -0.090 0.000 2.324 446 V HA -0.336 3.784 4.120 -0.000 0.000 0.250 446 V C 2.440 178.622 176.094 0.146 0.000 1.060 446 V CA 2.379 64.725 62.300 0.076 0.000 1.042 446 V CB -0.849 31.041 31.823 0.112 0.000 0.650 446 V HN 0.563 nan 8.190 nan 0.000 0.450 447 K N -0.159 120.295 120.400 0.090 0.000 2.031 447 K HA -0.087 4.233 4.320 -0.000 0.000 0.205 447 K C 2.198 178.852 176.600 0.090 0.000 1.049 447 K CA 1.305 57.644 56.287 0.086 0.000 0.939 447 K CB -0.304 32.224 32.500 0.048 0.000 0.717 447 K HN 0.412 nan 8.250 nan 0.000 0.438 448 A N 0.907 123.773 122.820 0.077 0.000 1.972 448 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 448 A C 1.904 179.532 177.584 0.074 0.000 1.169 448 A CA 0.957 53.020 52.037 0.042 0.000 0.635 448 A CB -1.033 17.970 19.000 0.005 0.000 0.810 448 A HN 0.652 nan 8.150 nan 0.000 0.446 449 W N 0.847 122.086 121.300 -0.102 0.000 2.387 449 W HA -0.144 4.516 4.660 -0.000 0.000 0.272 449 W C 1.466 177.963 176.519 -0.035 0.000 1.224 449 W CA 1.474 58.764 57.345 -0.092 0.000 1.210 449 W CB 0.005 29.453 29.460 -0.020 0.000 1.125 449 W HN 0.582 nan 8.180 nan 0.000 0.572 450 E N -0.038 120.247 120.200 0.143 0.000 2.409 450 E HA -0.193 4.157 4.350 -0.000 0.000 0.198 450 E C 1.537 178.138 176.600 0.001 0.000 1.024 450 E CA 0.774 57.224 56.400 0.084 0.000 0.861 450 E CB -0.040 29.709 29.700 0.082 0.000 0.788 450 E HN 0.022 nan 8.360 nan 0.000 0.521 451 K N 0.185 120.543 120.400 -0.070 0.000 2.432 451 K HA 0.064 4.384 4.320 -0.000 0.000 0.196 451 K C 0.376 176.886 176.600 -0.150 0.000 1.038 451 K CA 0.322 56.542 56.287 -0.112 0.000 0.986 451 K CB 0.113 32.522 32.500 -0.152 0.000 0.782 451 K HN 0.052 nan 8.250 nan 0.000 0.485 452 L N 1.053 122.161 121.223 -0.192 0.000 2.305 452 L HA 0.161 4.501 4.340 -0.000 0.000 0.281 452 L C 1.102 177.959 176.870 -0.021 0.000 1.085 452 L CA -0.217 54.514 54.840 -0.181 0.000 0.813 452 L CB 1.256 43.102 42.059 -0.354 0.000 1.157 452 L HN 0.138 nan 8.230 nan 0.000 0.436 453 E N 0.986 121.203 120.200 0.029 0.000 2.112 453 E HA -0.005 4.345 4.350 -0.000 0.000 0.190 453 E C -0.231 176.516 176.600 0.244 0.000 0.979 453 E CA 0.850 57.336 56.400 0.144 0.000 0.814 453 E CB 0.329 30.128 29.700 0.164 0.000 0.762 453 E HN 0.611 nan 8.360 nan 0.000 0.460 454 T N 0.246 114.905 114.554 0.176 0.000 3.032 454 T HA 0.370 4.720 4.350 -0.000 0.000 0.312 454 T C -1.606 173.198 174.700 0.173 0.000 1.078 454 T CA -0.623 61.554 62.100 0.129 0.000 1.028 454 T CB 1.594 70.559 68.868 0.163 0.000 1.091 454 T HN -0.053 nan 8.240 nan 0.000 0.457 455 F N 4.113 124.019 119.950 -0.073 0.000 2.553 455 F HA 0.731 5.258 4.527 -0.000 0.000 0.335 455 F C -1.838 173.930 175.800 -0.054 0.000 1.148 455 F CA -1.880 56.151 58.000 0.052 0.000 0.963 455 F CB 0.411 39.560 39.000 0.249 0.000 1.217 455 F HN 0.367 nan 8.300 nan 0.000 0.441 456 I N 6.251 126.626 120.570 -0.326 0.000 2.441 456 I HA 0.643 4.813 4.170 -0.000 0.000 0.295 456 I C -0.728 175.028 176.117 -0.601 0.000 0.994 456 I CA -0.875 60.075 61.300 -0.584 0.000 1.144 456 I CB 1.863 39.294 38.000 -0.948 0.000 1.314 456 I HN 0.315 nan 8.210 nan 0.000 0.445 457 V N 4.904 124.564 119.914 -0.424 0.000 2.841 457 V HA 0.445 4.565 4.120 -0.000 0.000 0.310 457 V C -0.818 175.307 176.094 0.051 0.000 1.090 457 V CA -0.709 61.471 62.300 -0.200 0.000 0.930 457 V CB 2.180 33.799 31.823 -0.341 0.000 1.014 457 V HN 0.673 nan 8.190 nan 0.000 0.425 458 H N 2.792 121.851 119.070 -0.019 0.000 2.489 458 H HA 0.684 5.240 4.556 -0.000 0.000 0.343 458 H C -1.188 174.104 175.328 -0.061 0.000 1.086 458 H CA -0.665 55.362 56.048 -0.036 0.000 1.198 458 H CB 2.319 32.110 29.762 0.049 0.000 1.490 458 H HN 0.646 nan 8.280 nan 0.000 0.504 459 D N 1.848 122.228 120.400 -0.032 0.000 2.710 459 D HA -0.013 4.627 4.640 -0.000 0.000 0.276 459 D C -0.632 175.574 176.300 -0.157 0.000 1.267 459 D CA -0.498 53.406 54.000 -0.160 0.000 0.772 459 D CB 1.366 41.996 40.800 -0.283 0.000 1.299 459 D HN 0.434 nan 8.370 nan 0.000 0.421 460 F N -0.435 119.471 119.950 -0.073 0.000 2.678 460 F HA 0.473 5.000 4.527 -0.000 0.000 0.305 460 F C 0.443 176.187 175.800 -0.094 0.000 1.090 460 F CA -0.182 57.766 58.000 -0.087 0.000 1.272 460 F CB 0.307 39.301 39.000 -0.011 0.000 1.060 460 F HN -0.083 nan 8.300 nan 0.000 0.576 461 Q N 0.235 119.907 119.800 -0.213 0.000 2.375 461 Q HA 0.155 4.495 4.340 -0.000 0.000 0.271 461 Q C -1.586 174.262 176.000 -0.254 0.000 1.074 461 Q CA -0.536 55.236 55.803 -0.052 0.000 0.808 461 Q CB 1.846 30.669 28.738 0.141 0.000 1.327 461 Q HN 0.508 nan 8.270 nan 0.000 0.441 462 W N 3.088 124.326 121.300 -0.103 0.000 1.319 462 W HA 0.031 4.690 4.660 -0.000 0.000 0.506 462 W C 0.966 177.178 176.519 -0.511 0.000 0.626 462 W CA -0.046 57.162 57.345 -0.228 0.000 2.268 462 W CB -0.053 29.337 29.460 -0.117 0.000 1.536 462 W HN 0.413 nan 8.180 nan 0.000 0.199 463 T N -1.531 112.701 114.554 -0.538 0.000 2.726 463 T HA 0.141 4.491 4.350 -0.000 0.000 0.294 463 T C -1.580 172.839 174.700 -0.467 0.000 1.013 463 T CA -1.324 60.196 62.100 -0.968 0.000 0.996 463 T CB 1.152 69.588 68.868 -0.721 0.000 1.016 463 T HN -0.072 nan 8.240 nan 0.000 0.529 464 P HA -0.014 nan 4.420 nan 0.000 0.220 464 P C 1.565 178.830 177.300 -0.060 0.000 1.148 464 P CA 0.942 63.991 63.100 -0.085 0.000 0.803 464 P CB -0.182 31.552 31.700 0.056 0.000 0.782 465 T N -0.706 113.775 114.554 -0.121 0.000 2.737 465 T HA -0.114 4.236 4.350 -0.000 0.000 0.265 465 T C 1.888 176.557 174.700 -0.052 0.000 1.038 465 T CA 1.592 63.660 62.100 -0.053 0.000 1.144 465 T CB -0.887 67.966 68.868 -0.026 0.000 0.866 465 T HN 0.030 nan 8.240 nan 0.000 0.434 466 A N 1.854 124.608 122.820 -0.111 0.000 1.902 466 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 466 A C 2.331 179.997 177.584 0.137 0.000 1.181 466 A CA 1.345 53.306 52.037 -0.127 0.000 0.623 466 A CB -0.485 18.318 19.000 -0.327 0.000 0.818 466 A HN 0.419 nan 8.150 nan 0.000 0.443 467 R N -1.498 119.133 120.500 0.218 0.000 2.193 467 R HA -0.109 4.231 4.340 -0.000 0.000 0.229 467 R C 1.159 177.500 176.300 0.068 0.000 1.110 467 R CA 1.416 57.675 56.100 0.264 0.000 0.988 467 R CB -0.319 30.009 30.300 0.046 0.000 0.871 467 R HN 0.692 nan 8.270 nan 0.000 0.458 468 H N -0.583 118.432 119.070 -0.092 0.000 2.529 468 H HA 0.297 4.853 4.556 -0.000 0.000 0.277 468 H C 0.181 175.596 175.328 0.145 0.000 1.004 468 H CA 0.054 55.992 56.048 -0.185 0.000 1.167 468 H CB 0.445 29.657 29.762 -0.917 0.000 1.445 468 H HN 0.174 nan 8.280 nan 0.000 0.554 469 A N 0.038 122.994 122.820 0.227 0.000 2.304 469 A HA 0.114 4.434 4.320 -0.000 0.000 0.271 469 A C 0.755 178.425 177.584 0.144 0.000 1.091 469 A CA -0.366 51.721 52.037 0.084 0.000 0.812 469 A CB 0.586 19.457 19.000 -0.215 0.000 1.056 469 A HN 0.281 nan 8.150 nan 0.000 0.489 470 D N -0.243 120.141 120.400 -0.028 0.000 2.240 470 D HA 0.149 4.789 4.640 -0.000 0.000 0.206 470 D C 0.004 176.192 176.300 -0.186 0.000 0.963 470 D CA 1.390 55.259 54.000 -0.218 0.000 0.863 470 D CB 0.204 40.553 40.800 -0.751 0.000 0.973 470 D HN 0.483 nan 8.370 nan 0.000 0.501 471 I N 1.023 121.469 120.570 -0.207 0.000 2.534 471 I HA 0.189 4.358 4.170 -0.000 0.000 0.288 471 I C -1.009 174.990 176.117 -0.197 0.000 1.077 471 I CA -0.749 60.456 61.300 -0.158 0.000 1.051 471 I CB 2.980 40.856 38.000 -0.206 0.000 1.234 471 I HN -0.405 nan 8.210 nan 0.000 0.425 472 V N 6.995 126.781 119.914 -0.214 0.000 2.409 472 V HA 0.483 4.602 4.120 -0.000 0.000 0.291 472 V C -0.186 175.682 176.094 -0.376 0.000 1.020 472 V CA -0.528 61.568 62.300 -0.340 0.000 0.848 472 V CB 1.727 33.227 31.823 -0.538 0.000 0.990 472 V HN 0.466 nan 8.190 nan 0.000 0.430 473 L N 7.178 128.198 121.223 -0.338 0.000 2.305 473 L HA 0.511 4.851 4.340 -0.000 0.000 0.284 473 L C -2.358 174.332 176.870 -0.300 0.000 1.013 473 L CA -1.805 52.795 54.840 -0.399 0.000 0.819 473 L CB 2.602 44.414 42.059 -0.413 0.000 1.227 473 L HN 0.399 nan 8.230 nan 0.000 0.417 474 P HA 0.168 nan 4.420 nan 0.000 0.276 474 P C -0.663 176.681 177.300 0.074 0.000 1.264 474 P CA -0.078 62.961 63.100 -0.101 0.000 0.769 474 P CB 1.395 33.043 31.700 -0.087 0.000 0.840 475 A N 4.250 127.109 122.820 0.066 0.000 2.264 475 A HA 0.673 4.993 4.320 -0.000 0.000 0.304 475 A C 0.651 178.323 177.584 0.147 0.000 1.100 475 A CA -0.305 51.805 52.037 0.122 0.000 0.839 475 A CB 0.210 19.323 19.000 0.188 0.000 1.121 475 A HN 0.570 nan 8.150 nan 0.000 0.496 476 T N -1.116 113.476 114.554 0.063 0.000 2.881 476 T HA 0.598 4.948 4.350 -0.000 0.000 0.278 476 T C 0.540 175.146 174.700 -0.157 0.000 0.982 476 T CA 0.123 62.188 62.100 -0.059 0.000 0.989 476 T CB 0.910 69.710 68.868 -0.114 0.000 1.058 476 T HN 1.087 nan 8.240 nan 0.000 0.529 477 T N -1.305 112.979 114.554 -0.450 0.000 2.862 477 T HA 0.330 4.680 4.350 -0.000 0.000 0.276 477 T C 1.384 175.748 174.700 -0.560 0.000 0.974 477 T CA -0.624 61.045 62.100 -0.718 0.000 0.966 477 T CB 0.579 68.912 68.868 -0.892 0.000 1.072 477 T HN 0.466 nan 8.240 nan 0.000 0.538 478 S N -0.121 115.115 115.700 -0.774 0.000 2.474 478 S HA -0.015 4.454 4.470 -0.000 0.000 0.235 478 S C 1.121 175.365 174.600 -0.593 0.000 0.997 478 S CA 0.625 58.431 58.200 -0.656 0.000 0.949 478 S CB -0.653 62.172 63.200 -0.625 0.000 0.766 478 S HN 0.739 nan 8.310 nan 0.000 0.517 479 Y N 1.295 121.562 120.300 -0.054 0.000 2.529 479 Y HA 0.226 4.776 4.550 -0.000 0.000 0.290 479 Y C 1.436 177.309 175.900 -0.044 0.000 1.177 479 Y CA -0.333 57.762 58.100 -0.008 0.000 1.305 479 Y CB -0.516 37.987 38.460 0.072 0.000 1.047 479 Y HN 0.305 nan 8.280 nan 0.000 0.522 480 E N 0.744 120.890 120.200 -0.089 0.000 2.558 480 E HA 0.202 4.552 4.350 -0.000 0.000 0.205 480 E C 0.254 176.797 176.600 -0.096 0.000 1.006 480 E CA -0.247 56.108 56.400 -0.076 0.000 0.961 480 E CB 0.480 30.111 29.700 -0.115 0.000 1.044 480 E HN 0.363 nan 8.360 nan 0.000 0.465 481 R N -0.902 119.535 120.500 -0.106 0.000 2.762 481 R HA 0.400 4.739 4.340 -0.000 0.000 0.271 481 R C -1.251 175.058 176.300 0.015 0.000 1.038 481 R CA -0.912 55.130 56.100 -0.097 0.000 0.906 481 R CB 0.723 30.816 30.300 -0.344 0.000 1.259 481 R HN -0.189 nan 8.270 nan 0.000 0.457 482 N N 0.083 118.864 118.700 0.134 0.000 2.417 482 N HA 0.433 5.173 4.740 -0.000 0.000 0.300 482 N C -1.366 174.347 175.510 0.337 0.000 1.102 482 N CA -0.228 52.980 53.050 0.262 0.000 0.886 482 N CB 1.717 40.372 38.487 0.281 0.000 1.203 482 N HN 0.522 nan 8.380 nan 0.000 0.496 483 D N 0.274 120.897 120.400 0.372 0.000 2.779 483 D HA 0.490 5.130 4.640 -0.000 0.000 0.331 483 D C -1.324 175.206 176.300 0.382 0.000 1.331 483 D CA -0.386 53.815 54.000 0.334 0.000 0.866 483 D CB 2.331 43.285 40.800 0.256 0.000 1.409 483 D HN 0.360 nan 8.370 nan 0.000 0.486 484 I N 0.729 121.488 120.570 0.316 0.000 2.752 484 I HA 0.527 4.697 4.170 -0.000 0.000 0.295 484 I C -1.769 174.455 176.117 0.178 0.000 1.219 484 I CA -0.363 61.135 61.300 0.330 0.000 1.030 484 I CB 2.068 40.379 38.000 0.518 0.000 1.259 484 I HN 0.326 nan 8.210 nan 0.000 0.423 485 E N 3.335 123.604 120.200 0.115 0.000 2.407 485 E HA 0.457 4.807 4.350 -0.000 0.000 0.279 485 E C -1.511 175.103 176.600 0.024 0.000 1.012 485 E CA -0.409 56.010 56.400 0.031 0.000 0.800 485 E CB 2.188 31.865 29.700 -0.039 0.000 1.276 485 E HN 0.522 nan 8.360 nan 0.000 0.452 486 T N 2.303 116.862 114.554 0.009 0.000 2.910 486 T HA 0.458 4.808 4.350 -0.000 0.000 0.293 486 T C 0.180 174.880 174.700 -0.000 0.000 1.015 486 T CA -0.165 61.952 62.100 0.028 0.000 1.094 486 T CB 0.134 69.025 68.868 0.038 0.000 0.968 486 T HN 0.289 nan 8.240 nan 0.000 0.521 487 I N 2.602 123.177 120.570 0.008 0.000 2.307 487 I HA 0.501 4.671 4.170 -0.000 0.000 0.289 487 I C 0.750 176.901 176.117 0.057 0.000 1.021 487 I CA -0.113 61.190 61.300 0.004 0.000 1.224 487 I CB 0.813 38.803 38.000 -0.016 0.000 1.376 487 I HN 0.903 nan 8.210 nan 0.000 0.470 488 G N 4.860 113.691 108.800 0.052 0.000 3.035 488 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.674 488 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.674 488 G C 0.078 175.007 174.900 0.048 0.000 1.159 488 G CA -0.732 44.416 45.100 0.080 0.000 1.098 488 G HN 0.727 nan 8.290 nan 0.000 0.473 489 D N 0.403 120.799 120.400 -0.008 0.000 2.123 489 D HA -0.144 4.496 4.640 -0.000 0.000 0.196 489 D C 1.570 177.719 176.300 -0.253 0.000 0.992 489 D CA 2.034 55.938 54.000 -0.160 0.000 0.833 489 D CB 0.279 40.898 40.800 -0.302 0.000 0.954 489 D HN 0.651 nan 8.370 nan 0.000 0.455 490 Y N 0.105 120.448 120.300 0.072 0.000 2.500 490 Y HA -0.014 4.536 4.550 -0.000 0.000 0.284 490 Y C 2.689 178.620 175.900 0.051 0.000 1.118 490 Y CA 0.531 58.663 58.100 0.052 0.000 1.241 490 Y CB -0.259 38.235 38.460 0.056 0.000 1.171 490 Y HN -0.088 nan 8.280 nan 0.000 0.540 491 S N -0.120 115.722 115.700 0.237 0.000 2.436 491 S HA -0.108 4.362 4.470 -0.000 0.000 0.228 491 S C 0.994 175.692 174.600 0.164 0.000 1.014 491 S CA 0.692 59.004 58.200 0.186 0.000 0.950 491 S CB -0.585 62.731 63.200 0.195 0.000 0.784 491 S HN 0.498 nan 8.310 nan 0.000 0.504 492 N N 1.122 119.914 118.700 0.153 0.000 2.714 492 N HA -0.148 4.592 4.740 -0.000 0.000 0.253 492 N C 0.396 176.066 175.510 0.265 0.000 1.024 492 N CA 0.940 54.103 53.050 0.188 0.000 0.726 492 N CB -2.021 36.563 38.487 0.162 0.000 0.908 492 N HN 0.482 nan 8.380 nan 0.000 0.542 493 T N -1.394 113.270 114.554 0.184 0.000 2.759 493 T HA 0.164 4.514 4.350 -0.000 0.000 0.269 493 T C 1.108 175.820 174.700 0.020 0.000 1.042 493 T CA 1.547 63.738 62.100 0.150 0.000 1.140 493 T CB -0.164 68.799 68.868 0.158 0.000 0.864 493 T HN 0.801 nan 8.240 nan 0.000 0.455 494 G N -0.741 108.021 108.800 -0.062 0.000 2.341 494 G HA2 0.529 4.489 3.960 -0.000 0.000 0.299 494 G HA3 0.529 4.489 3.960 -0.000 0.000 0.299 494 G C -2.091 172.691 174.900 -0.196 0.000 1.274 494 G CA -0.973 43.861 45.100 -0.443 0.000 0.853 494 G HN 0.212 nan 8.290 nan 0.000 0.493 495 I N 0.308 120.754 120.570 -0.206 0.000 2.545 495 I HA 0.537 4.706 4.170 -0.000 0.000 0.292 495 I C -1.005 175.164 176.117 0.088 0.000 1.040 495 I CA -0.816 60.490 61.300 0.009 0.000 1.068 495 I CB 2.097 40.134 38.000 0.061 0.000 1.251 495 I HN 0.448 nan 8.210 nan 0.000 0.424 496 L N 5.934 127.194 121.223 0.062 0.000 2.334 496 L HA 0.783 5.123 4.340 -0.000 0.000 0.276 496 L C -0.202 176.679 176.870 0.019 0.000 1.014 496 L CA -0.181 54.630 54.840 -0.049 0.000 0.815 496 L CB 1.706 43.633 42.059 -0.219 0.000 1.268 496 L HN 0.669 nan 8.230 nan 0.000 0.428 497 A N 6.031 128.675 122.820 -0.294 0.000 2.310 497 A HA 0.498 4.818 4.320 -0.000 0.000 0.300 497 A C -0.146 177.118 177.584 -0.534 0.000 1.269 497 A CA -0.362 51.298 52.037 -0.628 0.000 0.909 497 A CB -0.307 17.626 19.000 -1.778 0.000 1.144 497 A HN 0.797 nan 8.150 nan 0.000 0.540 498 M N 3.830 123.303 119.600 -0.213 0.000 2.974 498 M HA 0.112 4.592 4.480 -0.000 0.000 0.301 498 M C -0.062 176.188 176.300 -0.083 0.000 1.409 498 M CA 0.327 55.532 55.300 -0.160 0.000 1.515 498 M CB -0.153 32.423 32.600 -0.040 0.000 1.163 498 M HN 0.540 nan 8.290 nan 0.000 0.520 499 K N 2.021 122.288 120.400 -0.221 0.000 2.326 499 K HA 0.152 4.472 4.320 -0.000 0.000 0.275 499 K C 0.138 176.745 176.600 0.013 0.000 1.018 499 K CA -0.267 55.980 56.287 -0.067 0.000 0.962 499 K CB 0.853 33.221 32.500 -0.220 0.000 0.953 499 K HN 0.382 nan 8.250 nan 0.000 0.475 500 K N 2.827 123.282 120.400 0.092 0.000 2.448 500 K HA -0.033 4.287 4.320 -0.000 0.000 0.278 500 K C 0.356 176.993 176.600 0.060 0.000 1.009 500 K CA 0.216 56.545 56.287 0.071 0.000 0.995 500 K CB 0.383 32.926 32.500 0.073 0.000 0.917 500 K HN 0.537 nan 8.250 nan 0.000 0.481 501 I N 3.435 124.059 120.570 0.091 0.000 2.947 501 I HA -0.003 4.167 4.170 -0.000 0.000 0.263 501 I C 0.350 176.525 176.117 0.097 0.000 1.130 501 I CA 0.078 61.441 61.300 0.105 0.000 1.448 501 I CB 0.677 38.788 38.000 0.184 0.000 1.222 501 I HN 0.482 nan 8.210 nan 0.000 0.453 502 V N -2.497 117.473 119.914 0.093 0.000 3.160 502 V HA 0.525 4.644 4.120 -0.000 0.000 0.310 502 V C -0.653 175.460 176.094 0.031 0.000 1.181 502 V CA -1.022 61.320 62.300 0.070 0.000 1.047 502 V CB 1.877 33.759 31.823 0.097 0.000 1.068 502 V HN -0.075 nan 8.190 nan 0.000 0.441 503 E N 1.350 121.561 120.200 0.019 0.000 2.390 503 E HA 0.377 4.727 4.350 -0.000 0.000 0.261 503 E C -2.545 174.038 176.600 -0.029 0.000 1.076 503 E CA -2.011 54.388 56.400 -0.002 0.000 0.905 503 E CB 0.439 30.140 29.700 0.001 0.000 0.984 503 E HN 0.588 nan 8.360 nan 0.000 0.427 504 P HA -0.043 nan 4.420 nan 0.000 0.262 504 P C -0.308 176.957 177.300 -0.058 0.000 1.182 504 P CA 0.159 63.230 63.100 -0.049 0.000 0.761 504 P CB 0.398 32.080 31.700 -0.029 0.000 0.795 505 L N 4.967 126.127 121.223 -0.104 0.000 2.417 505 L HA 0.144 4.484 4.340 -0.000 0.000 0.268 505 L C 0.988 177.809 176.870 -0.081 0.000 1.158 505 L CA 0.190 54.892 54.840 -0.231 0.000 0.819 505 L CB -0.682 41.166 42.059 -0.352 0.000 1.112 505 L HN 0.593 nan 8.230 nan 0.000 0.458 506 Y N 1.195 121.521 120.300 0.043 0.000 2.845 506 Y HA -0.387 4.163 4.550 -0.000 0.000 0.468 506 Y C 1.306 177.283 175.900 0.129 0.000 1.163 506 Y CA 1.324 59.459 58.100 0.059 0.000 2.636 506 Y CB -0.859 37.544 38.460 -0.094 0.000 1.194 506 Y HN 0.615 nan 8.280 nan 0.000 0.626 507 E N 1.250 121.679 120.200 0.382 0.000 2.496 507 E HA 0.528 4.878 4.350 -0.000 0.000 0.200 507 E C -0.009 176.873 176.600 0.470 0.000 1.016 507 E CA 0.269 56.931 56.400 0.437 0.000 0.962 507 E CB 0.250 30.283 29.700 0.555 0.000 1.071 507 E HN 0.485 nan 8.360 nan 0.000 0.457 508 A N 1.711 124.700 122.820 0.281 0.000 2.462 508 A HA 0.283 4.603 4.320 -0.000 0.000 0.243 508 A C 0.182 177.842 177.584 0.125 0.000 1.076 508 A CA 0.256 52.425 52.037 0.220 0.000 0.773 508 A CB 0.363 19.433 19.000 0.117 0.000 1.010 508 A HN 0.178 nan 8.150 nan 0.000 0.493 509 R N 0.872 121.417 120.500 0.075 0.000 2.795 509 R HA 0.491 4.831 4.340 -0.000 0.000 0.275 509 R C -0.122 176.137 176.300 -0.069 0.000 0.981 509 R CA -0.419 55.606 56.100 -0.124 0.000 0.917 509 R CB 2.031 32.041 30.300 -0.483 0.000 1.202 509 R HN 0.912 nan 8.270 nan 0.000 0.469 510 S N 0.017 115.683 115.700 -0.056 0.000 2.584 510 S HA 0.017 4.486 4.470 -0.000 0.000 0.270 510 S C 0.533 175.169 174.600 0.059 0.000 1.346 510 S CA -0.474 57.733 58.200 0.011 0.000 1.018 510 S CB 0.765 63.995 63.200 0.051 0.000 0.899 510 S HN 0.552 nan 8.310 nan 0.000 0.542 511 D N 0.352 120.842 120.400 0.151 0.000 2.178 511 D HA -0.139 4.501 4.640 -0.000 0.000 0.201 511 D C 1.405 177.840 176.300 0.225 0.000 0.980 511 D CA 1.457 55.547 54.000 0.149 0.000 0.842 511 D CB -0.228 40.764 40.800 0.320 0.000 0.948 511 D HN 0.788 nan 8.370 nan 0.000 0.472 512 Y N 2.349 122.808 120.300 0.266 0.000 2.097 512 Y HA -0.230 4.320 4.550 -0.000 0.000 0.282 512 Y C 1.868 177.889 175.900 0.201 0.000 1.152 512 Y CA 1.755 60.054 58.100 0.330 0.000 1.136 512 Y CB -0.082 38.544 38.460 0.277 0.000 0.975 512 Y HN -0.180 nan 8.280 nan 0.000 0.498 513 D N 0.204 120.719 120.400 0.191 0.000 2.117 513 D HA -0.191 4.449 4.640 -0.000 0.000 0.197 513 D C 2.312 178.491 176.300 -0.201 0.000 0.987 513 D CA 1.851 55.843 54.000 -0.013 0.000 0.829 513 D CB -0.365 40.410 40.800 -0.043 0.000 0.961 513 D HN 0.468 nan 8.370 nan 0.000 0.460 514 I N 0.074 120.493 120.570 -0.251 0.000 2.142 514 I HA -0.266 3.904 4.170 -0.000 0.000 0.240 514 I C 2.090 178.037 176.117 -0.283 0.000 1.078 514 I CA 0.880 61.989 61.300 -0.318 0.000 1.343 514 I CB -0.270 37.487 38.000 -0.406 0.000 1.046 514 I HN -0.109 nan 8.210 nan 0.000 0.405 515 F N 1.074 120.907 119.950 -0.195 0.000 2.234 515 F HA -0.111 4.416 4.527 -0.000 0.000 0.299 515 F C 2.595 177.793 175.800 -1.004 0.000 1.087 515 F CA 0.973 58.682 58.000 -0.486 0.000 1.340 515 F CB -1.112 37.636 39.000 -0.420 0.000 1.031 515 F HN -0.002 nan 8.300 nan 0.000 0.500 516 A N -0.027 122.299 122.820 -0.824 0.000 1.933 516 A HA -0.038 4.282 4.320 -0.000 0.000 0.218 516 A C 2.454 179.821 177.584 -0.361 0.000 1.175 516 A CA 1.720 53.310 52.037 -0.746 0.000 0.628 516 A CB -1.196 17.572 19.000 -0.387 0.000 0.814 516 A HN 0.283 nan 8.150 nan 0.000 0.444 517 A N -0.626 122.045 122.820 -0.247 0.000 1.898 517 A HA 0.054 4.374 4.320 -0.000 0.000 0.216 517 A C 2.216 179.749 177.584 -0.086 0.000 1.181 517 A CA 1.663 53.621 52.037 -0.132 0.000 0.620 517 A CB -0.816 18.116 19.000 -0.113 0.000 0.819 517 A HN 0.357 nan 8.150 nan 0.000 0.442 518 V N -0.095 119.769 119.914 -0.082 0.000 2.307 518 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 518 V C 3.061 179.130 176.094 -0.041 0.000 1.045 518 V CA 1.889 64.187 62.300 -0.002 0.000 1.024 518 V CB -1.242 30.639 31.823 0.096 0.000 0.651 518 V HN 0.596 nan 8.190 nan 0.000 0.449 519 A N -0.709 122.021 122.820 -0.150 0.000 1.933 519 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 519 A C 2.246 179.801 177.584 -0.047 0.000 1.175 519 A CA 1.733 53.702 52.037 -0.114 0.000 0.628 519 A CB -0.472 18.394 19.000 -0.223 0.000 0.814 519 A HN 0.474 nan 8.150 nan 0.000 0.444 520 E N 0.188 120.349 120.200 -0.064 0.000 2.085 520 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 520 E C 2.149 178.749 176.600 0.001 0.000 0.994 520 E CA 1.106 57.494 56.400 -0.020 0.000 0.801 520 E CB -0.268 29.416 29.700 -0.026 0.000 0.743 520 E HN 0.643 nan 8.360 nan 0.000 0.453 521 R N -0.190 120.312 120.500 0.003 0.000 2.237 521 R HA 0.021 4.361 4.340 -0.000 0.000 0.219 521 R C 2.135 178.453 176.300 0.029 0.000 1.080 521 R CA 0.453 56.566 56.100 0.022 0.000 0.995 521 R CB -0.053 30.267 30.300 0.035 0.000 0.875 521 R HN 0.150 nan 8.270 nan 0.000 0.462 522 L N -0.764 120.475 121.223 0.027 0.000 2.592 522 L HA 0.224 4.564 4.340 -0.000 0.000 0.227 522 L C 0.995 177.884 176.870 0.032 0.000 1.127 522 L CA 0.259 55.119 54.840 0.034 0.000 0.884 522 L CB 0.371 42.452 42.059 0.037 0.000 1.065 522 L HN 0.402 nan 8.230 nan 0.000 0.457 523 G N 0.518 109.334 108.800 0.027 0.000 2.136 523 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.242 523 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.242 523 G C 0.494 175.415 174.900 0.035 0.000 0.989 523 G CA -0.059 45.058 45.100 0.028 0.000 0.682 523 G HN 0.270 nan 8.290 nan 0.000 0.522 524 K N 0.252 120.676 120.400 0.040 0.000 2.758 524 K HA 0.358 4.678 4.320 -0.000 0.000 0.208 524 K C 1.915 178.564 176.600 0.083 0.000 1.091 524 K CA 0.264 56.588 56.287 0.061 0.000 1.059 524 K CB 0.550 33.092 32.500 0.071 0.000 0.801 524 K HN 0.316 nan 8.250 nan 0.000 0.470 525 G N 1.934 110.770 108.800 0.060 0.000 2.459 525 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 525 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 525 G C 1.479 176.457 174.900 0.131 0.000 1.183 525 G CA 0.661 45.804 45.100 0.072 0.000 0.776 525 G HN 0.277 nan 8.290 nan 0.000 0.552 526 K N 0.306 120.766 120.400 0.099 0.000 2.097 526 K HA -0.060 4.260 4.320 -0.000 0.000 0.206 526 K C 2.470 179.143 176.600 0.122 0.000 1.049 526 K CA 1.405 57.751 56.287 0.099 0.000 0.933 526 K CB -0.102 32.433 32.500 0.058 0.000 0.717 526 K HN 0.245 nan 8.250 nan 0.000 0.442 527 E N 0.126 120.399 120.200 0.121 0.000 2.110 527 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 527 E C 1.572 178.268 176.600 0.161 0.000 0.988 527 E CA 1.026 57.496 56.400 0.117 0.000 0.804 527 E CB -0.142 29.616 29.700 0.098 0.000 0.745 527 E HN 0.246 nan 8.360 nan 0.000 0.458 528 F N 0.759 120.741 119.950 0.054 0.000 2.098 528 F HA -0.153 4.374 4.527 -0.000 0.000 0.294 528 F C 2.402 178.293 175.800 0.151 0.000 1.107 528 F CA 1.810 59.836 58.000 0.044 0.000 1.234 528 F CB -0.499 38.483 39.000 -0.031 0.000 1.002 528 F HN 0.063 nan 8.300 nan 0.000 0.472 529 T N -2.973 111.824 114.554 0.404 0.000 3.023 529 T HA -0.013 4.337 4.350 -0.000 0.000 0.266 529 T C 1.118 176.085 174.700 0.446 0.000 1.093 529 T CA 0.964 63.366 62.100 0.503 0.000 1.129 529 T CB -0.129 68.991 68.868 0.421 0.000 0.899 529 T HN 0.284 nan 8.240 nan 0.000 0.491 530 E N 0.483 120.820 120.200 0.230 0.000 3.070 530 E HA -0.161 4.189 4.350 -0.000 0.000 0.285 530 E C 1.059 177.604 176.600 -0.091 0.000 0.972 530 E CA 1.193 57.621 56.400 0.047 0.000 0.915 530 E CB -1.880 27.811 29.700 -0.016 0.000 1.466 530 E HN 1.132 nan 8.360 nan 0.000 0.432 531 G N -0.902 107.892 108.800 -0.010 0.000 2.168 531 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.263 531 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.263 531 G C 0.266 175.084 174.900 -0.137 0.000 0.977 531 G CA 0.868 45.935 45.100 -0.055 0.000 0.659 531 G HN 0.402 nan 8.290 nan 0.000 0.533 532 K N 0.785 121.052 120.400 -0.221 0.000 2.166 532 K HA 0.540 4.860 4.320 -0.000 0.000 0.245 532 K C -0.132 176.416 176.600 -0.086 0.000 0.967 532 K CA -0.469 55.576 56.287 -0.402 0.000 0.863 532 K CB 1.421 33.208 32.500 -1.189 0.000 1.107 532 K HN 0.348 nan 8.250 nan 0.000 0.436 533 D N 0.036 120.368 120.400 -0.113 0.000 2.494 533 D HA 0.011 4.651 4.640 -0.000 0.000 0.259 533 D C 0.642 176.938 176.300 -0.006 0.000 1.109 533 D CA -0.494 53.519 54.000 0.022 0.000 1.040 533 D CB 1.022 41.808 40.800 -0.023 0.000 1.175 533 D HN 0.691 nan 8.370 nan 0.000 0.584 534 E N -0.721 119.439 120.200 -0.067 0.000 2.065 534 E HA -0.238 4.111 4.350 -0.000 0.000 0.201 534 E C 1.842 178.357 176.600 -0.142 0.000 1.016 534 E CA 1.558 57.870 56.400 -0.146 0.000 0.818 534 E CB 0.005 29.660 29.700 -0.073 0.000 0.749 534 E HN 0.333 nan 8.360 nan 0.000 0.453 535 M N -0.079 119.423 119.600 -0.163 0.000 2.319 535 M HA -0.004 4.476 4.480 -0.000 0.000 0.265 535 M C 2.343 178.444 176.300 -0.332 0.000 1.068 535 M CA 1.288 56.438 55.300 -0.250 0.000 1.118 535 M CB -1.083 31.375 32.600 -0.237 0.000 1.395 535 M HN 0.276 nan 8.290 nan 0.000 0.435 536 G N -1.088 107.530 108.800 -0.304 0.000 2.402 536 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 536 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 536 G C 1.401 176.002 174.900 -0.499 0.000 1.162 536 G CA 0.280 45.140 45.100 -0.400 0.000 0.777 536 G HN 0.445 nan 8.290 nan 0.000 0.539 537 W N 0.719 121.714 121.300 -0.508 0.000 2.354 537 W HA 0.063 4.723 4.660 -0.000 0.000 0.315 537 W C 2.604 178.403 176.519 -1.200 0.000 1.206 537 W CA 0.273 57.140 57.345 -0.797 0.000 1.290 537 W CB -0.232 28.839 29.460 -0.650 0.000 1.152 537 W HN 0.093 nan 8.180 nan 0.000 0.489 538 I N 0.446 120.716 120.570 -0.500 0.000 2.151 538 I HA -0.377 3.793 4.170 -0.000 0.000 0.243 538 I C 2.453 178.327 176.117 -0.406 0.000 1.080 538 I CA 1.664 62.771 61.300 -0.321 0.000 1.339 538 I CB -0.685 37.274 38.000 -0.070 0.000 1.039 538 I HN -0.026 nan 8.210 nan 0.000 0.409 539 K N 1.005 120.969 120.400 -0.726 0.000 2.057 539 K HA -0.203 4.117 4.320 -0.000 0.000 0.207 539 K C 2.322 178.655 176.600 -0.444 0.000 1.049 539 K CA 1.915 57.611 56.287 -0.986 0.000 0.931 539 K CB -0.061 31.807 32.500 -1.053 0.000 0.714 539 K HN 0.419 nan 8.250 nan 0.000 0.440 540 S N 0.022 115.466 115.700 -0.426 0.000 2.382 540 S HA -0.136 4.334 4.470 -0.000 0.000 0.228 540 S C 1.815 176.409 174.600 -0.010 0.000 1.027 540 S CA 0.886 58.941 58.200 -0.241 0.000 0.991 540 S CB -0.581 62.450 63.200 -0.282 0.000 0.823 540 S HN 0.204 nan 8.310 nan 0.000 0.469 541 F N 1.025 120.987 119.950 0.019 0.000 2.113 541 F HA 0.106 4.633 4.527 -0.000 0.000 0.297 541 F C 2.451 178.266 175.800 0.026 0.000 1.103 541 F CA 0.051 58.074 58.000 0.038 0.000 1.248 541 F CB -1.665 37.377 39.000 0.071 0.000 0.999 541 F HN 0.236 nan 8.300 nan 0.000 0.475 542 Y N 1.432 121.815 120.300 0.139 0.000 2.114 542 Y HA -0.243 4.307 4.550 -0.000 0.000 0.284 542 Y C 2.196 178.121 175.900 0.041 0.000 1.143 542 Y CA 1.932 60.082 58.100 0.083 0.000 1.135 542 Y CB -0.597 37.983 38.460 0.200 0.000 0.980 542 Y HN -0.042 nan 8.280 nan 0.000 0.499 543 D N 0.223 120.674 120.400 0.085 0.000 2.158 543 D HA -0.218 4.422 4.640 -0.000 0.000 0.197 543 D C 1.864 178.116 176.300 -0.080 0.000 0.995 543 D CA 1.628 55.633 54.000 0.008 0.000 0.846 543 D CB -0.472 40.338 40.800 0.017 0.000 0.941 543 D HN 0.517 nan 8.370 nan 0.000 0.456 544 D N 0.021 120.395 120.400 -0.045 0.000 2.084 544 D HA -0.126 4.514 4.640 -0.000 0.000 0.194 544 D C 1.977 178.214 176.300 -0.105 0.000 0.990 544 D CA 1.385 55.360 54.000 -0.043 0.000 0.826 544 D CB 0.111 40.925 40.800 0.023 0.000 0.971 544 D HN 0.113 nan 8.370 nan 0.000 0.453 545 A N 1.137 123.865 122.820 -0.153 0.000 1.940 545 A HA -0.110 4.209 4.320 -0.000 0.000 0.219 545 A C 2.316 179.743 177.584 -0.261 0.000 1.176 545 A CA 2.229 54.144 52.037 -0.203 0.000 0.631 545 A CB -0.605 18.266 19.000 -0.216 0.000 0.814 545 A HN 0.303 nan 8.150 nan 0.000 0.446 546 A N -0.129 122.474 122.820 -0.362 0.000 1.902 546 A HA -0.153 4.166 4.320 -0.000 0.000 0.217 546 A C 2.089 179.590 177.584 -0.137 0.000 1.181 546 A CA 1.819 53.688 52.037 -0.281 0.000 0.623 546 A CB -0.406 18.416 19.000 -0.297 0.000 0.818 546 A HN 0.568 nan 8.150 nan 0.000 0.443 547 K N -0.398 119.937 120.400 -0.109 0.000 2.026 547 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 547 K C 2.251 178.805 176.600 -0.076 0.000 1.048 547 K CA 1.549 57.794 56.287 -0.069 0.000 0.929 547 K CB -0.196 32.271 32.500 -0.055 0.000 0.713 547 K HN 0.449 nan 8.250 nan 0.000 0.439 548 Q N 0.022 119.764 119.800 -0.096 0.000 2.119 548 Q HA -0.078 4.262 4.340 -0.000 0.000 0.201 548 Q C 2.334 178.263 176.000 -0.117 0.000 0.972 548 Q CA 1.718 57.462 55.803 -0.099 0.000 0.847 548 Q CB -0.835 27.838 28.738 -0.108 0.000 0.903 548 Q HN 0.474 nan 8.270 nan 0.000 0.433 549 G N 2.869 111.582 108.800 -0.144 0.000 2.459 549 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.217 549 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.217 549 G C 1.465 176.310 174.900 -0.091 0.000 1.183 549 G CA 1.340 46.348 45.100 -0.153 0.000 0.776 549 G HN 0.368 nan 8.290 nan 0.000 0.552 550 K N 1.536 121.900 120.400 -0.061 0.000 2.103 550 K HA 0.049 4.369 4.320 -0.000 0.000 0.207 550 K C 2.508 179.088 176.600 -0.033 0.000 1.048 550 K CA 1.773 58.041 56.287 -0.032 0.000 0.930 550 K CB -0.783 31.708 32.500 -0.016 0.000 0.716 550 K HN 0.224 nan 8.250 nan 0.000 0.444 551 A N 0.938 123.732 122.820 -0.044 0.000 1.972 551 A HA 0.003 4.323 4.320 -0.000 0.000 0.219 551 A C 2.322 179.881 177.584 -0.041 0.000 1.169 551 A CA 1.597 53.611 52.037 -0.038 0.000 0.635 551 A CB -0.833 18.142 19.000 -0.042 0.000 0.810 551 A HN 0.562 nan 8.150 nan 0.000 0.446 552 G N -2.279 106.487 108.800 -0.058 0.000 2.985 552 G HA2 0.374 4.334 3.960 -0.000 0.000 0.209 552 G HA3 0.374 4.334 3.960 -0.000 0.000 0.209 552 G C 1.118 175.989 174.900 -0.048 0.000 1.165 552 G CA 0.502 45.566 45.100 -0.061 0.000 0.776 552 G HN 1.593 nan 8.290 nan 0.000 0.541 553 G N -1.176 107.604 108.800 -0.035 0.000 2.176 553 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.253 553 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.253 553 G C 0.410 175.304 174.900 -0.009 0.000 0.979 553 G CA 0.390 45.480 45.100 -0.016 0.000 0.641 553 G HN 1.357 nan 8.290 nan 0.000 0.530 554 V N 0.604 120.500 119.914 -0.029 0.000 2.383 554 V HA 0.675 4.795 4.120 -0.000 0.000 0.275 554 V C 0.290 176.401 176.094 0.028 0.000 1.036 554 V CA -0.665 61.632 62.300 -0.004 0.000 0.889 554 V CB 1.252 33.034 31.823 -0.069 0.000 0.985 554 V HN 0.310 nan 8.190 nan 0.000 0.459 555 E N 6.687 126.929 120.200 0.071 0.000 2.289 555 E HA 0.482 4.832 4.350 -0.000 0.000 0.278 555 E C -0.574 176.107 176.600 0.135 0.000 1.032 555 E CA 0.036 56.487 56.400 0.085 0.000 0.854 555 E CB 1.286 31.033 29.700 0.079 0.000 1.046 555 E HN 0.739 nan 8.360 nan 0.000 0.409 556 M N 3.878 123.558 119.600 0.133 0.000 2.386 556 M HA 0.365 4.845 4.480 -0.000 0.000 0.293 556 M C -2.290 174.144 176.300 0.223 0.000 1.120 556 M CA -2.002 53.415 55.300 0.196 0.000 0.909 556 M CB 2.036 34.729 32.600 0.155 0.000 1.661 556 M HN 0.382 nan 8.290 nan 0.000 0.452 557 P HA 0.332 nan 4.420 nan 0.000 0.272 557 P C -0.773 176.725 177.300 0.331 0.000 1.240 557 P CA -0.399 62.851 63.100 0.250 0.000 0.791 557 P CB 0.433 32.262 31.700 0.215 0.000 0.978 558 A N 0.653 123.615 122.820 0.237 0.000 2.386 558 A HA 0.066 4.386 4.320 -0.000 0.000 0.246 558 A C 1.125 178.855 177.584 0.243 0.000 1.089 558 A CA -0.338 51.856 52.037 0.262 0.000 0.790 558 A CB -0.593 18.508 19.000 0.169 0.000 1.042 558 A HN 0.604 nan 8.150 nan 0.000 0.497 559 F N 0.464 120.475 119.950 0.103 0.000 2.043 559 F HA -0.246 4.281 4.527 -0.000 0.000 0.297 559 F C 1.794 177.612 175.800 0.031 0.000 1.121 559 F CA 2.812 60.769 58.000 -0.072 0.000 1.199 559 F CB -0.184 38.808 39.000 -0.012 0.000 0.968 559 F HN 0.673 nan 8.300 nan 0.000 0.478 560 D N 0.222 120.591 120.400 -0.050 0.000 2.182 560 D HA -0.165 4.475 4.640 -0.000 0.000 0.201 560 D C 2.310 178.539 176.300 -0.118 0.000 0.986 560 D CA 1.401 55.322 54.000 -0.132 0.000 0.847 560 D CB -0.625 40.172 40.800 -0.005 0.000 0.942 560 D HN 0.414 nan 8.370 nan 0.000 0.467 561 A N 0.517 123.308 122.820 -0.047 0.000 1.898 561 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 561 A C 2.070 179.611 177.584 -0.072 0.000 1.181 561 A CA 0.974 52.993 52.037 -0.029 0.000 0.620 561 A CB -0.913 18.110 19.000 0.038 0.000 0.819 561 A HN 0.281 nan 8.150 nan 0.000 0.442 562 F N -0.735 119.083 119.950 -0.221 0.000 2.102 562 F HA -0.189 4.338 4.527 -0.000 0.000 0.298 562 F C 2.178 177.782 175.800 -0.327 0.000 1.105 562 F CA 1.663 59.495 58.000 -0.281 0.000 1.239 562 F CB -0.534 38.159 39.000 -0.511 0.000 0.991 562 F HN 0.480 nan 8.300 nan 0.000 0.474 563 W N 1.321 121.984 121.300 -1.062 0.000 2.358 563 W HA -0.204 4.456 4.660 -0.000 0.000 0.303 563 W C 2.426 178.562 176.519 -0.638 0.000 1.208 563 W CA 2.176 58.900 57.345 -1.034 0.000 1.274 563 W CB -0.638 28.291 29.460 -0.885 0.000 1.138 563 W HN 0.245 nan 8.180 nan 0.000 0.515 564 A N 1.251 123.895 122.820 -0.294 0.000 1.883 564 A HA -0.292 4.028 4.320 -0.000 0.000 0.217 564 A C 1.786 179.188 177.584 -0.302 0.000 1.186 564 A CA 2.268 54.168 52.037 -0.228 0.000 0.624 564 A CB -1.078 17.846 19.000 -0.127 0.000 0.822 564 A HN 0.600 nan 8.150 nan 0.000 0.444 565 E N -2.084 117.923 120.200 -0.323 0.000 2.216 565 E HA 0.259 4.609 4.350 -0.000 0.000 0.192 565 E C 1.329 177.681 176.600 -0.415 0.000 0.988 565 E CA 0.806 57.036 56.400 -0.283 0.000 0.834 565 E CB -0.402 29.198 29.700 -0.167 0.000 0.772 565 E HN 0.876 nan 8.360 nan 0.000 0.479 566 G N 1.593 109.973 108.800 -0.701 0.000 2.234 566 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.260 566 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.260 566 G C 0.143 174.644 174.900 -0.665 0.000 0.987 566 G CA 0.548 45.142 45.100 -0.843 0.000 0.625 566 G HN 0.490 nan 8.290 nan 0.000 0.532 567 I N -1.047 119.289 120.570 -0.389 0.000 2.828 567 I HA 0.637 4.807 4.170 -0.000 0.000 0.295 567 I C -1.569 174.592 176.117 0.073 0.000 1.459 567 I CA -1.147 60.091 61.300 -0.104 0.000 1.015 567 I CB 2.196 40.071 38.000 -0.208 0.000 1.345 567 I HN 0.307 nan 8.210 nan 0.000 0.449 568 V N 6.313 126.291 119.914 0.106 0.000 2.577 568 V HA 0.572 4.692 4.120 -0.000 0.000 0.303 568 V C -0.950 174.946 176.094 -0.331 0.000 1.042 568 V CA -0.051 62.247 62.300 -0.003 0.000 0.872 568 V CB 2.069 33.961 31.823 0.115 0.000 0.998 568 V HN 0.853 nan 8.190 nan 0.000 0.423 569 E N 5.373 125.416 120.200 -0.260 0.000 2.202 569 E HA 0.575 4.925 4.350 -0.000 0.000 0.272 569 E C -1.593 174.832 176.600 -0.292 0.000 0.951 569 E CA -0.467 55.743 56.400 -0.317 0.000 0.813 569 E CB 2.058 31.735 29.700 -0.039 0.000 1.151 569 E HN 0.582 nan 8.360 nan 0.000 0.398 570 F N 1.932 121.933 119.950 0.085 0.000 2.458 570 F HA 0.389 4.916 4.527 -0.000 0.000 0.330 570 F C -1.871 173.967 175.800 0.063 0.000 1.082 570 F CA -2.874 55.164 58.000 0.063 0.000 0.995 570 F CB 0.498 39.526 39.000 0.045 0.000 1.170 570 F HN 0.226 nan 8.300 nan 0.000 0.478 571 P HA 0.258 nan 4.420 nan 0.000 0.284 571 P C -0.941 176.441 177.300 0.136 0.000 1.253 571 P CA -0.222 62.973 63.100 0.159 0.000 0.800 571 P CB 1.732 33.506 31.700 0.125 0.000 0.961 572 V N 3.330 123.312 119.914 0.114 0.000 2.432 572 V HA 0.148 4.268 4.120 -0.000 0.000 0.275 572 V C 1.684 177.826 176.094 0.080 0.000 1.043 572 V CA 0.283 62.642 62.300 0.100 0.000 0.925 572 V CB 0.747 32.632 31.823 0.103 0.000 0.985 572 V HN 0.828 nan 8.190 nan 0.000 0.466 573 T N 1.150 115.745 114.554 0.068 0.000 3.395 573 T HA 0.042 4.392 4.350 -0.000 0.000 0.230 573 T C 0.912 175.649 174.700 0.062 0.000 0.958 573 T CA 0.786 62.921 62.100 0.058 0.000 1.377 573 T CB -0.150 68.744 68.868 0.044 0.000 1.124 573 T HN 0.638 nan 8.240 nan 0.000 0.425 574 D N 0.585 121.022 120.400 0.062 0.000 2.433 574 D HA 0.288 4.928 4.640 -0.000 0.000 0.211 574 D C 1.943 178.301 176.300 0.096 0.000 1.114 574 D CA 0.146 54.190 54.000 0.074 0.000 0.837 574 D CB -0.661 40.180 40.800 0.069 0.000 0.984 574 D HN 0.550 nan 8.370 nan 0.000 0.505 575 G N 0.919 109.772 108.800 0.087 0.000 2.462 575 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.220 575 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.220 575 G C 1.514 176.498 174.900 0.140 0.000 1.121 575 G CA 0.760 45.918 45.100 0.096 0.000 0.758 575 G HN 0.461 nan 8.290 nan 0.000 0.559 576 A N 0.171 123.070 122.820 0.132 0.000 2.206 576 A HA 0.143 4.463 4.320 -0.000 0.000 0.211 576 A C 1.637 179.307 177.584 0.143 0.000 1.158 576 A CA 1.316 53.440 52.037 0.145 0.000 0.761 576 A CB 0.021 19.097 19.000 0.127 0.000 0.801 576 A HN 0.238 nan 8.150 nan 0.000 0.473 577 D N -1.518 118.967 120.400 0.142 0.000 2.369 577 D HA 0.114 4.754 4.640 -0.000 0.000 0.211 577 D C -0.096 176.284 176.300 0.133 0.000 1.077 577 D CA -0.226 53.844 54.000 0.116 0.000 0.842 577 D CB -0.073 40.783 40.800 0.094 0.000 0.947 577 D HN 0.384 nan 8.370 nan 0.000 0.509 578 F N 2.106 122.069 119.950 0.023 0.000 2.578 578 F HA 0.067 4.594 4.527 -0.000 0.000 0.381 578 F C -0.125 175.669 175.800 -0.010 0.000 1.069 578 F CA -0.058 57.943 58.000 0.002 0.000 1.231 578 F CB 0.488 39.483 39.000 -0.008 0.000 1.086 578 F HN -0.360 nan 8.300 nan 0.000 0.564 579 V N 7.827 127.261 119.914 -0.799 0.000 2.443 579 V HA 0.339 4.459 4.120 -0.000 0.000 0.293 579 V C 0.105 175.615 176.094 -0.972 0.000 1.021 579 V CA -1.036 60.874 62.300 -0.650 0.000 0.848 579 V CB 1.463 33.112 31.823 -0.289 0.000 0.998 579 V HN 0.672 nan 8.190 nan 0.000 0.424 580 R N 3.045 123.046 120.500 -0.832 0.000 2.489 580 R HA 0.209 4.549 4.340 -0.000 0.000 0.287 580 R C 0.024 176.200 176.300 -0.207 0.000 1.053 580 R CA 0.403 56.152 56.100 -0.585 0.000 1.036 580 R CB 0.056 30.187 30.300 -0.281 0.000 0.966 580 R HN 0.741 nan 8.270 nan 0.000 0.432 581 Y N 0.131 120.339 120.300 -0.155 0.000 4.907 581 Y HA -0.361 4.189 4.550 -0.000 0.000 0.246 581 Y C 1.330 177.262 175.900 0.053 0.000 0.968 581 Y CA 0.848 58.961 58.100 0.021 0.000 1.961 581 Y CB -2.003 36.500 38.460 0.073 0.000 1.487 581 Y HN 0.797 nan 8.280 nan 0.000 0.575 582 A N 0.240 123.069 122.820 0.015 0.000 1.902 582 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 582 A C 2.276 179.903 177.584 0.072 0.000 1.181 582 A CA 2.503 54.549 52.037 0.015 0.000 0.623 582 A CB -0.913 18.046 19.000 -0.070 0.000 0.818 582 A HN 0.808 nan 8.150 nan 0.000 0.443 583 S N -1.192 114.558 115.700 0.082 0.000 2.402 583 S HA -0.146 4.324 4.470 -0.000 0.000 0.229 583 S C 1.809 176.528 174.600 0.198 0.000 1.021 583 S CA 1.317 59.584 58.200 0.112 0.000 0.974 583 S CB -0.691 62.564 63.200 0.092 0.000 0.800 583 S HN 0.575 nan 8.310 nan 0.000 0.484 584 F N 2.994 123.012 119.950 0.113 0.000 2.134 584 F HA 0.106 4.633 4.527 -0.000 0.000 0.299 584 F C 2.587 178.528 175.800 0.236 0.000 1.097 584 F CA 1.422 59.536 58.000 0.189 0.000 1.264 584 F CB -0.504 38.667 39.000 0.285 0.000 1.001 584 F HN 0.121 nan 8.300 nan 0.000 0.479 585 R N 0.234 120.773 120.500 0.066 0.000 2.075 585 R HA -0.129 4.211 4.340 -0.000 0.000 0.232 585 R C 2.130 178.440 176.300 0.017 0.000 1.126 585 R CA 1.610 57.640 56.100 -0.117 0.000 0.963 585 R CB -0.239 30.014 30.300 -0.079 0.000 0.858 585 R HN 0.263 nan 8.270 nan 0.000 0.435 586 E N 0.266 120.491 120.200 0.043 0.000 2.077 586 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 586 E C 0.057 176.681 176.600 0.040 0.000 0.989 586 E CA 1.037 57.462 56.400 0.043 0.000 0.800 586 E CB -0.056 29.668 29.700 0.040 0.000 0.746 586 E HN 0.238 nan 8.360 nan 0.000 0.452 587 D N -0.877 119.550 120.400 0.044 0.000 2.411 587 D HA 0.098 4.738 4.640 -0.000 0.000 0.239 587 D C -2.183 174.138 176.300 0.035 0.000 1.307 587 D CA -1.670 52.344 54.000 0.024 0.000 0.930 587 D CB 1.336 42.156 40.800 0.033 0.000 1.395 587 D HN -0.192 nan 8.370 nan 0.000 0.536 588 P HA -0.035 nan 4.420 nan 0.000 0.226 588 P C 1.576 178.908 177.300 0.053 0.000 1.153 588 P CA 0.265 63.353 63.100 -0.020 0.000 0.777 588 P CB 0.761 32.257 31.700 -0.339 0.000 0.794 589 L N -1.227 119.994 121.223 -0.002 0.000 2.095 589 L HA -0.054 4.286 4.340 -0.000 0.000 0.204 589 L C 2.537 179.430 176.870 0.037 0.000 1.080 589 L CA 0.817 55.661 54.840 0.007 0.000 0.759 589 L CB -0.861 41.186 42.059 -0.021 0.000 0.914 589 L HN -0.019 nan 8.230 nan 0.000 0.439 590 L N -0.683 120.566 121.223 0.045 0.000 2.307 590 L HA 0.125 4.465 4.340 -0.000 0.000 0.211 590 L C 0.721 177.638 176.870 0.078 0.000 1.099 590 L CA 1.296 56.167 54.840 0.050 0.000 0.816 590 L CB -0.024 42.059 42.059 0.040 0.000 0.952 590 L HN 0.221 nan 8.230 nan 0.000 0.455 591 N N 0.940 119.713 118.700 0.121 0.000 2.735 591 N HA 0.301 5.041 4.740 -0.000 0.000 0.312 591 N C -2.634 173.047 175.510 0.284 0.000 1.843 591 N CA -1.032 52.120 53.050 0.169 0.000 0.945 591 N CB 0.453 39.046 38.487 0.176 0.000 1.299 591 N HN 0.252 nan 8.380 nan 0.000 0.489 592 P HA 0.139 nan 4.420 nan 0.000 0.273 592 P C 0.487 177.862 177.300 0.125 0.000 1.250 592 P CA -0.290 62.979 63.100 0.281 0.000 0.793 592 P CB 1.489 33.292 31.700 0.171 0.000 1.011 593 L N -0.198 121.017 121.223 -0.015 0.000 2.468 593 L HA 0.319 4.659 4.340 -0.000 0.000 0.254 593 L C 1.925 178.773 176.870 -0.037 0.000 1.171 593 L CA -0.276 54.492 54.840 -0.121 0.000 0.809 593 L CB -0.105 41.794 42.059 -0.268 0.000 1.155 593 L HN 0.494 nan 8.230 nan 0.000 0.473 594 G N -0.252 108.523 108.800 -0.042 0.000 3.474 594 G HA2 0.146 4.106 3.960 -0.000 0.000 0.269 594 G HA3 0.146 4.106 3.960 -0.000 0.000 0.269 594 G C 0.419 175.301 174.900 -0.031 0.000 1.339 594 G CA -0.106 44.977 45.100 -0.029 0.000 1.258 594 G HN 0.648 nan 8.290 nan 0.000 0.560 595 T N -3.239 111.303 114.554 -0.021 0.000 2.897 595 T HA 0.481 4.831 4.350 -0.000 0.000 0.278 595 T C -1.521 173.185 174.700 0.010 0.000 0.981 595 T CA -1.631 60.463 62.100 -0.010 0.000 0.973 595 T CB 2.178 71.048 68.868 0.003 0.000 1.092 595 T HN -0.167 nan 8.240 nan 0.000 0.543 596 P HA -0.060 nan 4.420 nan 0.000 0.216 596 P C 1.675 178.997 177.300 0.037 0.000 1.150 596 P CA 1.368 64.484 63.100 0.028 0.000 0.837 596 P CB -0.157 31.565 31.700 0.037 0.000 0.786 597 T N -5.991 108.592 114.554 0.050 0.000 3.067 597 T HA 0.270 4.620 4.350 -0.000 0.000 0.257 597 T C 1.652 176.391 174.700 0.064 0.000 1.105 597 T CA 0.717 62.852 62.100 0.059 0.000 1.104 597 T CB -0.631 68.283 68.868 0.077 0.000 0.925 597 T HN 0.215 nan 8.240 nan 0.000 0.498 598 G N 1.003 109.839 108.800 0.059 0.000 2.176 598 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.253 598 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.253 598 G C -0.103 174.873 174.900 0.127 0.000 0.979 598 G CA 0.315 45.461 45.100 0.077 0.000 0.641 598 G HN 0.633 nan 8.290 nan 0.000 0.530 599 L N -0.136 121.161 121.223 0.123 0.000 2.256 599 L HA 0.668 5.008 4.340 -0.000 0.000 0.261 599 L C 0.824 177.767 176.870 0.122 0.000 1.022 599 L CA -1.571 53.386 54.840 0.196 0.000 0.828 599 L CB 1.445 43.614 42.059 0.183 0.000 1.374 599 L HN -0.031 nan 8.230 nan 0.000 0.436 600 I N 1.113 121.790 120.570 0.179 0.000 2.517 600 I HA 0.014 4.184 4.170 -0.000 0.000 0.285 600 I C 0.103 176.319 176.117 0.165 0.000 1.106 600 I CA 0.238 61.622 61.300 0.140 0.000 1.402 600 I CB 0.291 38.413 38.000 0.202 0.000 1.399 600 I HN 0.497 nan 8.210 nan 0.000 0.535 601 E N 7.112 127.399 120.200 0.146 0.000 1.963 601 E HA 0.193 4.543 4.350 -0.000 0.000 0.274 601 E C 0.720 177.515 176.600 0.325 0.000 1.061 601 E CA -0.160 56.360 56.400 0.201 0.000 0.847 601 E CB 1.109 30.899 29.700 0.149 0.000 1.083 601 E HN 0.626 nan 8.360 nan 0.000 0.402 602 I N 1.991 122.744 120.570 0.305 0.000 2.500 602 I HA -0.150 4.019 4.170 -0.000 0.000 0.252 602 I C 0.477 176.775 176.117 0.302 0.000 1.142 602 I CA 0.847 62.298 61.300 0.252 0.000 1.451 602 I CB 0.235 38.316 38.000 0.134 0.000 1.093 602 I HN 0.440 nan 8.210 nan 0.000 0.430 603 Y N 0.478 120.915 120.300 0.228 0.000 2.341 603 Y HA 0.410 4.960 4.550 -0.000 0.000 0.338 603 Y C -0.111 175.933 175.900 0.239 0.000 0.965 603 Y CA -0.949 57.292 58.100 0.235 0.000 1.108 603 Y CB 1.576 40.133 38.460 0.161 0.000 1.180 603 Y HN -0.249 nan 8.280 nan 0.000 0.458 604 S N 6.080 121.748 115.700 -0.054 0.000 2.438 604 S HA 0.319 4.789 4.470 -0.000 0.000 0.316 604 S C 0.594 175.123 174.600 -0.118 0.000 1.084 604 S CA -0.793 57.396 58.200 -0.019 0.000 1.107 604 S CB 0.551 63.703 63.200 -0.080 0.000 0.981 604 S HN 0.786 nan 8.310 nan 0.000 0.466 605 K N 4.332 124.782 120.400 0.085 0.000 2.097 605 K HA -0.060 4.260 4.320 -0.000 0.000 0.205 605 K C 1.488 178.078 176.600 -0.016 0.000 1.050 605 K CA 1.426 57.778 56.287 0.108 0.000 0.938 605 K CB -0.602 31.981 32.500 0.139 0.000 0.718 605 K HN 0.701 nan 8.250 nan 0.000 0.442 606 N N 0.590 119.260 118.700 -0.050 0.000 2.084 606 N HA -0.080 4.660 4.740 -0.000 0.000 0.190 606 N C 1.945 177.332 175.510 -0.204 0.000 1.030 606 N CA 0.893 53.883 53.050 -0.100 0.000 0.849 606 N CB -0.110 38.342 38.487 -0.060 0.000 1.012 606 N HN 0.073 nan 8.380 nan 0.000 0.423 607 I N 1.031 121.431 120.570 -0.283 0.000 2.394 607 I HA -0.218 3.952 4.170 -0.000 0.000 0.251 607 I C 2.515 178.476 176.117 -0.259 0.000 1.136 607 I CA 0.904 62.006 61.300 -0.329 0.000 1.425 607 I CB -0.224 37.576 38.000 -0.333 0.000 1.079 607 I HN 0.279 nan 8.210 nan 0.000 0.425 608 E N 1.845 121.916 120.200 -0.215 0.000 2.058 608 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 608 E C 2.016 178.532 176.600 -0.141 0.000 0.997 608 E CA 1.439 57.746 56.400 -0.154 0.000 0.801 608 E CB 0.055 29.730 29.700 -0.041 0.000 0.746 608 E HN 0.429 nan 8.360 nan 0.000 0.450 609 K N -0.215 120.104 120.400 -0.134 0.000 2.280 609 K HA -0.107 4.213 4.320 -0.000 0.000 0.202 609 K C 2.129 178.595 176.600 -0.222 0.000 1.047 609 K CA 1.319 57.524 56.287 -0.137 0.000 0.942 609 K CB -0.091 32.349 32.500 -0.100 0.000 0.739 609 K HN 0.295 nan 8.250 nan 0.000 0.457 610 M N -0.511 118.881 119.600 -0.347 0.000 2.319 610 M HA -0.006 4.474 4.480 -0.000 0.000 0.265 610 M C 1.178 177.100 176.300 -0.631 0.000 1.068 610 M CA 1.191 56.121 55.300 -0.617 0.000 1.118 610 M CB -0.095 31.918 32.600 -0.980 0.000 1.395 610 M HN 0.384 nan 8.290 nan 0.000 0.435 611 G N 0.574 109.145 108.800 -0.382 0.000 2.221 611 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.265 611 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.265 611 G C -0.634 174.217 174.900 -0.081 0.000 1.041 611 G CA -0.265 44.715 45.100 -0.201 0.000 0.807 611 G HN 0.388 nan 8.290 nan 0.000 0.502 612 Y N 1.237 121.497 120.300 -0.066 0.000 2.365 612 Y HA 0.255 4.805 4.550 -0.000 0.000 0.340 612 Y C 1.772 177.639 175.900 -0.055 0.000 1.016 612 Y CA -1.492 56.577 58.100 -0.052 0.000 1.196 612 Y CB 0.785 39.210 38.460 -0.059 0.000 1.167 612 Y HN 0.359 nan 8.280 nan 0.000 0.509 613 D N 0.903 121.382 120.400 0.131 0.000 2.178 613 D HA -0.200 4.440 4.640 -0.000 0.000 0.201 613 D C 0.477 176.785 176.300 0.013 0.000 0.980 613 D CA 1.542 55.569 54.000 0.045 0.000 0.842 613 D CB -0.142 40.684 40.800 0.043 0.000 0.948 613 D HN 0.645 nan 8.370 nan 0.000 0.472 614 D N -0.605 119.823 120.400 0.048 0.000 2.328 614 D HA 0.050 4.690 4.640 -0.000 0.000 0.221 614 D C -0.116 176.201 176.300 0.028 0.000 1.072 614 D CA -0.593 53.431 54.000 0.040 0.000 0.850 614 D CB -0.526 40.354 40.800 0.135 0.000 0.922 614 D HN 0.163 nan 8.370 nan 0.000 0.516 615 C N 1.220 120.544 119.300 0.040 0.000 3.384 615 C HA 0.411 4.871 4.460 -0.000 0.000 0.294 615 C C -2.672 172.329 174.990 0.018 0.000 1.062 615 C CA -1.507 57.544 59.018 0.054 0.000 1.325 615 C CB -0.493 27.312 27.740 0.109 0.000 1.793 615 C HN 0.039 nan 8.230 nan 0.000 0.563 616 P HA 0.199 nan 4.420 nan 0.000 0.272 616 P C 0.463 177.628 177.300 -0.225 0.000 1.254 616 P CA 0.254 63.206 63.100 -0.247 0.000 0.795 616 P CB 0.708 32.129 31.700 -0.465 0.000 1.022 617 A N -0.085 122.506 122.820 -0.382 0.000 2.238 617 A HA 0.020 4.340 4.320 -0.000 0.000 0.208 617 A C 0.728 178.037 177.584 -0.459 0.000 1.177 617 A CA 0.865 52.650 52.037 -0.422 0.000 0.804 617 A CB -1.074 17.475 19.000 -0.752 0.000 0.823 617 A HN 0.716 nan 8.150 nan 0.000 0.482 618 H N -3.672 115.067 119.070 -0.553 0.000 2.990 618 H HA 0.448 5.004 4.556 -0.000 0.000 0.343 618 H C -3.558 171.073 175.328 -1.161 0.000 1.270 618 H CA -2.507 53.013 56.048 -0.881 0.000 1.118 618 H CB 0.409 30.031 29.762 -0.233 0.000 1.861 618 H HN -0.161 nan 8.280 nan 0.000 0.544 619 P HA 0.086 nan 4.420 nan 0.000 0.262 619 P C -0.731 176.492 177.300 -0.128 0.000 1.182 619 P CA 0.758 63.466 63.100 -0.654 0.000 0.761 619 P CB 0.466 31.847 31.700 -0.532 0.000 0.795 620 T N 3.244 117.699 114.554 -0.166 0.000 2.933 620 T HA 0.248 4.598 4.350 -0.000 0.000 0.305 620 T C -1.444 173.320 174.700 0.107 0.000 1.092 620 T CA -0.581 61.446 62.100 -0.121 0.000 1.008 620 T CB 1.082 69.705 68.868 -0.408 0.000 1.102 620 T HN 0.395 nan 8.240 nan 0.000 0.469 621 W N 5.634 127.058 121.300 0.206 0.000 2.322 621 W HA 0.634 5.294 4.660 -0.000 0.000 0.307 621 W C -1.603 174.965 176.519 0.081 0.000 1.220 621 W CA -0.625 56.840 57.345 0.200 0.000 1.210 621 W CB 0.410 30.122 29.460 0.418 0.000 1.223 621 W HN 0.569 nan 8.180 nan 0.000 0.511 622 M N 4.529 123.528 119.600 -1.001 0.000 2.518 622 M HA 0.153 4.633 4.480 -0.000 0.000 0.300 622 M C -0.184 175.464 176.300 -1.086 0.000 1.175 622 M CA -0.865 53.893 55.300 -0.904 0.000 0.890 622 M CB 2.440 34.460 32.600 -0.968 0.000 1.710 622 M HN 0.236 nan 8.290 nan 0.000 0.453 623 E N 4.017 123.894 120.200 -0.539 0.000 2.324 623 E HA 0.251 4.601 4.350 -0.000 0.000 0.271 623 E C -2.250 174.317 176.600 -0.056 0.000 1.028 623 E CA -1.201 55.051 56.400 -0.247 0.000 0.890 623 E CB 0.360 30.062 29.700 0.003 0.000 1.004 623 E HN 0.314 nan 8.360 nan 0.000 0.431 624 P HA 0.030 nan 4.420 nan 0.000 0.277 624 P C 1.030 178.492 177.300 0.270 0.000 1.271 624 P CA -0.533 62.688 63.100 0.203 0.000 0.795 624 P CB 0.935 32.729 31.700 0.157 0.000 1.101 625 L N -0.444 120.985 121.223 0.344 0.000 2.013 625 L HA -0.133 4.207 4.340 -0.000 0.000 0.212 625 L C 0.855 177.781 176.870 0.093 0.000 1.073 625 L CA 2.000 56.899 54.840 0.097 0.000 0.753 625 L CB -0.716 41.275 42.059 -0.112 0.000 0.890 625 L HN 0.638 nan 8.230 nan 0.000 0.432 626 E N -1.047 119.219 120.200 0.109 0.000 2.354 626 E HA 0.508 4.858 4.350 -0.000 0.000 0.283 626 E C -1.050 175.643 176.600 0.155 0.000 0.938 626 E CA -0.974 55.496 56.400 0.116 0.000 0.777 626 E CB 1.480 31.238 29.700 0.097 0.000 1.222 626 E HN 0.404 nan 8.360 nan 0.000 0.423 627 R N 1.916 122.516 120.500 0.167 0.000 2.710 627 R HA 0.460 4.800 4.340 -0.000 0.000 0.270 627 R C -1.003 175.401 176.300 0.174 0.000 1.021 627 R CA -1.126 55.097 56.100 0.205 0.000 0.889 627 R CB 1.219 31.651 30.300 0.219 0.000 1.243 627 R HN 0.553 nan 8.270 nan 0.000 0.464 628 L N 2.928 124.259 121.223 0.180 0.000 2.584 628 L HA 0.003 4.343 4.340 -0.000 0.000 0.272 628 L C -0.382 176.538 176.870 0.083 0.000 1.195 628 L CA 1.228 56.144 54.840 0.128 0.000 0.920 628 L CB -0.036 42.083 42.059 0.100 0.000 1.173 628 L HN 0.871 nan 8.230 nan 0.000 0.489 629 D N 2.328 122.767 120.400 0.065 0.000 3.012 629 D HA -0.152 4.488 4.640 -0.000 0.000 0.222 629 D C 0.577 176.908 176.300 0.052 0.000 1.167 629 D CA 1.127 55.151 54.000 0.040 0.000 0.854 629 D CB -1.163 39.643 40.800 0.011 0.000 1.107 629 D HN 0.788 nan 8.370 nan 0.000 0.421 630 G N 0.720 109.569 108.800 0.082 0.000 2.569 630 G HA2 0.423 4.383 3.960 -0.000 0.000 0.249 630 G HA3 0.423 4.383 3.960 -0.000 0.000 0.249 630 G C -2.062 172.884 174.900 0.076 0.000 1.216 630 G CA -0.800 44.361 45.100 0.101 0.000 0.845 630 G HN -0.013 nan 8.290 nan 0.000 0.568 631 P HA 0.136 nan 4.420 nan 0.000 0.267 631 P C 0.817 178.148 177.300 0.052 0.000 1.209 631 P CA 1.070 64.206 63.100 0.061 0.000 0.763 631 P CB 0.877 32.620 31.700 0.072 0.000 0.816 632 G N 2.460 111.279 108.800 0.033 0.000 2.168 632 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.257 632 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.257 632 G C 0.453 175.363 174.900 0.017 0.000 0.997 632 G CA 0.072 45.185 45.100 0.021 0.000 0.708 632 G HN 0.908 nan 8.290 nan 0.000 0.520 633 A N -0.419 122.417 122.820 0.027 0.000 2.511 633 A HA 0.596 4.916 4.320 -0.000 0.000 0.242 633 A C 1.324 178.894 177.584 -0.023 0.000 1.069 633 A CA 1.319 53.374 52.037 0.031 0.000 0.763 633 A CB 0.433 19.469 19.000 0.059 0.000 1.001 633 A HN 0.579 nan 8.150 nan 0.000 0.498 634 K N 1.324 121.689 120.400 -0.059 0.000 2.137 634 K HA 0.025 4.345 4.320 -0.000 0.000 0.202 634 K C -0.612 175.718 176.600 -0.450 0.000 1.052 634 K CA 0.773 56.903 56.287 -0.262 0.000 0.961 634 K CB -0.062 32.234 32.500 -0.341 0.000 0.741 634 K HN 0.722 nan 8.250 nan 0.000 0.452 635 Y N 0.451 120.750 120.300 -0.002 0.000 2.387 635 Y HA 0.218 4.768 4.550 0.000 0.000 0.330 635 Y C -1.600 174.295 175.900 -0.008 0.000 1.133 635 Y CA -2.397 55.690 58.100 -0.023 0.000 1.152 635 Y CB 1.353 39.782 38.460 -0.052 0.000 1.215 635 Y HN 0.051 nan 8.280 nan 0.000 0.466 636 P HA 0.079 nan 4.420 nan 0.000 0.239 636 P C -0.555 176.794 177.300 0.082 0.000 1.188 636 P CA 0.923 64.071 63.100 0.081 0.000 0.794 636 P CB 1.050 32.783 31.700 0.054 0.000 0.937 637 L N -0.277 120.998 121.223 0.087 0.000 2.386 637 L HA 0.457 4.797 4.340 -0.000 0.000 0.271 637 L C -0.000 176.922 176.870 0.088 0.000 0.993 637 L CA -1.182 53.706 54.840 0.079 0.000 0.819 637 L CB 2.000 44.087 42.059 0.047 0.000 1.294 637 L HN -0.107 nan 8.230 nan 0.000 0.414 638 H N 3.036 122.131 119.070 0.042 0.000 2.548 638 H HA 0.481 5.037 4.556 -0.000 0.000 0.331 638 H C -0.711 174.641 175.328 0.041 0.000 1.093 638 H CA -0.259 55.819 56.048 0.049 0.000 1.367 638 H CB 0.955 30.755 29.762 0.063 0.000 1.455 638 H HN 0.427 nan 8.280 nan 0.000 0.519 639 I N 4.876 125.245 120.570 -0.334 0.000 2.297 639 I HA 0.231 4.401 4.170 -0.000 0.000 0.291 639 I C 0.136 176.235 176.117 -0.030 0.000 1.033 639 I CA -0.756 60.471 61.300 -0.121 0.000 1.253 639 I CB 1.224 39.147 38.000 -0.129 0.000 1.396 639 I HN 0.719 nan 8.210 nan 0.000 0.476 640 A N 6.004 128.938 122.820 0.190 0.000 2.906 640 A HA 0.464 4.784 4.320 -0.000 0.000 0.289 640 A C 0.977 178.677 177.584 0.193 0.000 1.675 640 A CA -0.325 51.869 52.037 0.263 0.000 1.372 640 A CB -0.371 18.771 19.000 0.237 0.000 1.091 640 A HN 0.838 nan 8.150 nan 0.000 0.579 641 A N 2.985 125.912 122.820 0.179 0.000 3.077 641 A HA 0.470 4.790 4.320 -0.000 0.000 0.255 641 A C 1.103 178.864 177.584 0.296 0.000 1.728 641 A CA 0.281 52.433 52.037 0.191 0.000 1.383 641 A CB -1.046 18.027 19.000 0.121 0.000 1.097 641 A HN 1.083 nan 8.150 nan 0.000 0.634 642 S N 0.165 116.099 115.700 0.390 0.000 2.694 642 S HA 0.387 4.857 4.470 -0.000 0.000 0.278 642 S C 0.049 174.945 174.600 0.494 0.000 1.152 642 S CA -0.634 57.844 58.200 0.464 0.000 1.010 642 S CB 0.123 63.573 63.200 0.416 0.000 1.104 642 S HN 0.621 nan 8.310 nan 0.000 0.547 643 H N 2.262 121.416 119.070 0.140 0.000 2.722 643 H HA 0.252 4.808 4.556 -0.000 0.000 0.328 643 H C -2.108 172.948 175.328 -0.455 0.000 1.067 643 H CA -1.601 54.420 56.048 -0.045 0.000 1.447 643 H CB 0.371 30.116 29.762 -0.030 0.000 1.469 643 H HN 0.498 nan 8.280 nan 0.000 0.544 644 P HA -0.127 nan 4.420 nan 0.000 0.268 644 P C 0.259 177.230 177.300 -0.548 0.000 1.205 644 P CA 0.257 62.845 63.100 -0.853 0.000 0.771 644 P CB 0.730 32.237 31.700 -0.321 0.000 0.858 645 F N 3.049 122.617 119.950 -0.636 0.000 2.163 645 F HA -0.026 4.501 4.527 -0.000 0.000 0.297 645 F C 1.589 177.335 175.800 -0.090 0.000 1.094 645 F CA 1.453 59.326 58.000 -0.212 0.000 1.290 645 F CB 0.008 38.985 39.000 -0.039 0.000 1.017 645 F HN 0.249 nan 8.300 nan 0.000 0.483 646 N N 0.553 119.332 118.700 0.131 0.000 2.273 646 N HA 0.175 4.915 4.740 -0.000 0.000 0.231 646 N C -0.505 175.091 175.510 0.144 0.000 1.134 646 N CA 0.168 53.315 53.050 0.161 0.000 0.856 646 N CB 0.488 39.104 38.487 0.214 0.000 1.068 646 N HN 0.242 nan 8.380 nan 0.000 0.510 647 R N -0.057 120.498 120.500 0.092 0.000 2.781 647 R HA 0.375 4.715 4.340 -0.000 0.000 0.269 647 R C -1.449 174.921 176.300 0.116 0.000 1.025 647 R CA -0.889 55.312 56.100 0.169 0.000 0.914 647 R CB 1.596 31.968 30.300 0.120 0.000 1.236 647 R HN -0.080 nan 8.270 nan 0.000 0.465 648 L N 2.850 124.182 121.223 0.181 0.000 2.313 648 L HA 0.340 4.680 4.340 -0.000 0.000 0.273 648 L C 0.109 176.917 176.870 -0.102 0.000 1.028 648 L CA 0.368 55.111 54.840 -0.161 0.000 0.871 648 L CB -0.435 41.485 42.059 -0.231 0.000 1.242 648 L HN 0.670 nan 8.230 nan 0.000 0.434 649 H N 1.694 120.700 119.070 -0.107 0.000 1.452 649 H HA -0.282 4.274 4.556 -0.000 0.000 0.090 649 H C 1.428 176.824 175.328 0.113 0.000 0.629 649 H CA 1.815 57.821 56.048 -0.070 0.000 1.901 649 H CB -1.619 28.091 29.762 -0.085 0.000 2.257 649 H HN 0.673 nan 8.280 nan 0.000 0.961 650 S N 2.539 118.474 115.700 0.391 0.000 2.524 650 S HA 0.071 4.541 4.470 -0.000 0.000 0.216 650 S C 0.593 175.520 174.600 0.544 0.000 0.987 650 S CA 0.290 58.791 58.200 0.501 0.000 0.909 650 S CB 0.195 63.753 63.200 0.596 0.000 0.781 650 S HN 0.421 nan 8.310 nan 0.000 0.521 651 Q N 1.181 121.256 119.800 0.458 0.000 2.300 651 Q HA 0.330 4.670 4.340 -0.000 0.000 0.280 651 Q C 0.194 176.436 176.000 0.405 0.000 1.033 651 Q CA 0.533 56.630 55.803 0.491 0.000 0.903 651 Q CB 0.323 29.411 28.738 0.585 0.000 1.195 651 Q HN 0.506 nan 8.270 nan 0.000 0.386 652 L N 0.796 122.213 121.223 0.324 0.000 4.885 652 L HA -0.304 4.035 4.340 -0.000 0.000 0.404 652 L C 1.227 178.093 176.870 -0.006 0.000 0.970 652 L CA 0.128 55.056 54.840 0.146 0.000 1.426 652 L CB -1.400 40.731 42.059 0.120 0.000 1.934 652 L HN 0.620 nan 8.230 nan 0.000 0.613 653 N N 1.691 120.311 118.700 -0.135 0.000 2.188 653 N HA -0.050 4.690 4.740 -0.000 0.000 0.184 653 N C 1.364 176.435 175.510 -0.731 0.000 1.018 653 N CA 1.801 54.585 53.050 -0.444 0.000 0.858 653 N CB 0.012 37.990 38.487 -0.847 0.000 0.989 653 N HN 0.481 nan 8.380 nan 0.000 0.426 654 G N 0.010 108.347 108.800 -0.773 0.000 3.717 654 G HA2 0.311 4.271 3.960 -0.000 0.000 0.258 654 G HA3 0.311 4.271 3.960 -0.000 0.000 0.258 654 G C -0.308 174.491 174.900 -0.170 0.000 1.088 654 G CA 0.153 44.985 45.100 -0.446 0.000 1.737 654 G HN 0.412 nan 8.290 nan 0.000 0.648 655 T N -3.683 110.725 114.554 -0.243 0.000 2.778 655 T HA 0.366 4.716 4.350 -0.000 0.000 0.293 655 T C 1.417 175.985 174.700 -0.219 0.000 1.144 655 T CA 0.121 62.129 62.100 -0.154 0.000 1.010 655 T CB 1.257 70.061 68.868 -0.107 0.000 1.325 655 T HN 0.445 nan 8.240 nan 0.000 0.515 656 V N -0.352 119.460 119.914 -0.171 0.000 2.568 656 V HA -0.049 4.071 4.120 -0.000 0.000 0.253 656 V C 2.350 178.318 176.094 -0.210 0.000 1.072 656 V CA 1.241 63.432 62.300 -0.182 0.000 1.084 656 V CB -1.541 30.197 31.823 -0.141 0.000 0.676 656 V HN 0.661 nan 8.190 nan 0.000 0.469 657 L N 0.433 121.548 121.223 -0.180 0.000 2.129 657 L HA -0.148 4.192 4.340 -0.000 0.000 0.212 657 L C 2.781 179.445 176.870 -0.343 0.000 1.087 657 L CA 2.194 56.950 54.840 -0.141 0.000 0.757 657 L CB -1.349 40.705 42.059 -0.008 0.000 0.896 657 L HN 0.427 nan 8.230 nan 0.000 0.434 658 R N -0.623 119.558 120.500 -0.532 0.000 2.127 658 R HA -0.176 4.164 4.340 -0.000 0.000 0.238 658 R C 2.146 177.959 176.300 -0.813 0.000 1.134 658 R CA 1.091 56.599 56.100 -0.988 0.000 0.975 658 R CB -0.094 29.734 30.300 -0.786 0.000 0.865 658 R HN 0.345 nan 8.270 nan 0.000 0.447 659 E N -0.465 119.453 120.200 -0.470 0.000 2.204 659 E HA -0.118 4.232 4.350 -0.000 0.000 0.195 659 E C 1.566 178.016 176.600 -0.250 0.000 0.990 659 E CA 1.230 57.445 56.400 -0.308 0.000 0.821 659 E CB -0.023 29.551 29.700 -0.209 0.000 0.750 659 E HN 0.577 nan 8.360 nan 0.000 0.477 660 G N -0.231 108.416 108.800 -0.256 0.000 2.572 660 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 660 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 660 G C 1.108 176.007 174.900 -0.002 0.000 1.133 660 G CA 1.000 46.041 45.100 -0.098 0.000 0.791 660 G HN 0.411 nan 8.290 nan 0.000 0.538 661 Y N -1.984 118.315 120.300 -0.002 0.000 2.425 661 Y HA 0.708 5.258 4.550 -0.000 0.000 0.261 661 Y C 1.109 177.030 175.900 0.034 0.000 1.084 661 Y CA -1.056 57.060 58.100 0.027 0.000 1.248 661 Y CB -0.413 38.089 38.460 0.069 0.000 1.270 661 Y HN 0.146 nan 8.280 nan 0.000 0.524 662 A N 1.684 124.459 122.820 -0.076 0.000 2.462 662 A HA 0.517 4.837 4.320 -0.000 0.000 0.243 662 A C -0.425 177.190 177.584 0.051 0.000 1.076 662 A CA -0.092 51.970 52.037 0.041 0.000 0.773 662 A CB 0.194 19.150 19.000 -0.072 0.000 1.010 662 A HN 0.222 nan 8.150 nan 0.000 0.493 663 V N 4.062 124.032 119.914 0.094 0.000 2.350 663 V HA 0.274 4.394 4.120 -0.000 0.000 0.285 663 V C 0.127 176.299 176.094 0.131 0.000 1.014 663 V CA -0.320 62.035 62.300 0.090 0.000 0.831 663 V CB 0.603 32.481 31.823 0.092 0.000 1.000 663 V HN 1.047 nan 8.190 nan 0.000 0.433 664 Q N 3.449 123.300 119.800 0.085 0.000 2.475 664 Q HA -0.278 4.062 4.340 -0.000 0.000 0.280 664 Q C 1.279 177.252 176.000 -0.045 0.000 1.234 664 Q CA 0.916 56.772 55.803 0.089 0.000 0.873 664 Q CB -1.473 27.386 28.738 0.201 0.000 1.256 664 Q HN 1.624 nan 8.270 nan 0.000 0.475 665 G N -0.867 107.886 108.800 -0.078 0.000 2.179 665 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.260 665 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.260 665 G C 0.100 174.926 174.900 -0.123 0.000 0.977 665 G CA 0.681 45.697 45.100 -0.139 0.000 0.641 665 G HN 0.603 nan 8.290 nan 0.000 0.533 666 H N 0.211 119.339 119.070 0.097 0.000 2.559 666 H HA 0.565 5.121 4.556 -0.000 0.000 0.343 666 H C 0.363 175.580 175.328 -0.184 0.000 1.209 666 H CA -0.363 55.635 56.048 -0.083 0.000 1.287 666 H CB 1.312 31.003 29.762 -0.120 0.000 1.650 666 H HN 0.278 nan 8.280 nan 0.000 0.567 667 E N 2.855 122.755 120.200 -0.500 0.000 2.414 667 E HA 0.080 4.430 4.350 -0.000 0.000 0.263 667 E C -2.318 174.274 176.600 -0.012 0.000 1.000 667 E CA -1.400 54.874 56.400 -0.209 0.000 0.914 667 E CB 0.329 29.835 29.700 -0.323 0.000 0.948 667 E HN 0.260 nan 8.360 nan 0.000 0.444 668 P HA 0.064 nan 4.420 nan 0.000 0.274 668 P C -0.807 176.479 177.300 -0.023 0.000 1.231 668 P CA -0.500 62.629 63.100 0.048 0.000 0.790 668 P CB 0.945 32.698 31.700 0.088 0.000 0.951 669 C N 5.149 124.433 119.300 -0.027 0.000 2.383 669 C HA 0.472 4.932 4.460 -0.000 0.000 0.330 669 C C -0.203 174.765 174.990 -0.036 0.000 1.168 669 C CA -0.752 58.238 59.018 -0.046 0.000 1.374 669 C CB -0.969 26.752 27.740 -0.031 0.000 2.014 669 C HN 0.437 nan 8.230 nan 0.000 0.439 670 L N 6.458 127.647 121.223 -0.058 0.000 2.349 670 L HA 0.533 4.873 4.340 -0.000 0.000 0.275 670 L C 0.157 177.028 176.870 0.002 0.000 1.115 670 L CA 0.217 55.038 54.840 -0.031 0.000 0.820 670 L CB 1.192 43.222 42.059 -0.047 0.000 1.135 670 L HN 0.708 nan 8.230 nan 0.000 0.445 671 M N 3.029 122.641 119.600 0.020 0.000 2.433 671 M HA 0.326 4.806 4.480 -0.000 0.000 0.290 671 M C -0.728 175.615 176.300 0.071 0.000 1.173 671 M CA -0.653 54.679 55.300 0.053 0.000 0.905 671 M CB 2.251 34.877 32.600 0.044 0.000 1.692 671 M HN 0.558 nan 8.290 nan 0.000 0.462 672 H N 5.641 124.723 119.070 0.021 0.000 2.848 672 H HA 0.181 4.737 4.556 -0.000 0.000 0.341 672 H C -1.911 173.428 175.328 0.019 0.000 1.060 672 H CA -0.377 55.685 56.048 0.022 0.000 1.444 672 H CB 1.307 31.083 29.762 0.024 0.000 1.446 672 H HN 0.492 nan 8.280 nan 0.000 0.583 673 P HA -0.181 nan 4.420 nan 0.000 0.217 673 P C 0.793 178.165 177.300 0.121 0.000 1.148 673 P CA 1.228 64.307 63.100 -0.034 0.000 0.828 673 P CB 0.482 32.104 31.700 -0.129 0.000 0.783 674 D N -0.266 120.341 120.400 0.344 0.000 2.117 674 D HA -0.127 4.513 4.640 -0.000 0.000 0.198 674 D C 1.715 178.095 176.300 0.134 0.000 0.982 674 D CA 1.043 55.174 54.000 0.219 0.000 0.828 674 D CB -0.661 40.249 40.800 0.184 0.000 0.967 674 D HN 0.149 nan 8.370 nan 0.000 0.464 675 D N 0.247 120.739 120.400 0.154 0.000 2.117 675 D HA -0.067 4.573 4.640 -0.000 0.000 0.198 675 D C 1.984 178.329 176.300 0.075 0.000 0.982 675 D CA 1.101 55.154 54.000 0.090 0.000 0.828 675 D CB -0.185 40.668 40.800 0.089 0.000 0.967 675 D HN 0.134 nan 8.370 nan 0.000 0.464 676 A N 1.294 124.161 122.820 0.080 0.000 1.873 676 A HA -0.022 4.298 4.320 -0.000 0.000 0.215 676 A C 2.347 179.960 177.584 0.047 0.000 1.186 676 A CA 2.135 54.205 52.037 0.055 0.000 0.616 676 A CB -0.706 18.319 19.000 0.043 0.000 0.823 676 A HN 0.228 nan 8.150 nan 0.000 0.442 677 A N -0.006 122.843 122.820 0.050 0.000 1.902 677 A HA 0.132 4.451 4.320 -0.000 0.000 0.217 677 A C 2.479 180.085 177.584 0.038 0.000 1.181 677 A CA 2.126 54.187 52.037 0.040 0.000 0.623 677 A CB -1.094 17.931 19.000 0.041 0.000 0.818 677 A HN 1.171 nan 8.150 nan 0.000 0.443 678 A N -0.646 122.200 122.820 0.042 0.000 2.076 678 A HA -0.152 4.168 4.320 -0.000 0.000 0.220 678 A C 2.096 179.702 177.584 0.036 0.000 1.160 678 A CA 1.627 53.686 52.037 0.036 0.000 0.653 678 A CB -0.345 18.677 19.000 0.035 0.000 0.801 678 A HN 0.565 nan 8.150 nan 0.000 0.455 679 R N -1.962 118.561 120.500 0.040 0.000 2.397 679 R HA 0.285 4.625 4.340 -0.000 0.000 0.241 679 R C 1.051 177.373 176.300 0.036 0.000 0.914 679 R CA 0.455 56.580 56.100 0.042 0.000 1.071 679 R CB 0.243 30.573 30.300 0.049 0.000 1.116 679 R HN 0.587 nan 8.270 nan 0.000 0.524 680 G N 1.914 110.733 108.800 0.032 0.000 2.221 680 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.265 680 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.265 680 G C 0.049 174.965 174.900 0.027 0.000 1.041 680 G CA 0.027 45.142 45.100 0.026 0.000 0.807 680 G HN 0.252 nan 8.290 nan 0.000 0.502 681 I N 0.822 121.411 120.570 0.032 0.000 2.353 681 I HA 0.595 4.765 4.170 -0.000 0.000 0.293 681 I C 0.769 176.902 176.117 0.027 0.000 0.992 681 I CA -0.343 60.977 61.300 0.032 0.000 1.268 681 I CB 1.613 39.635 38.000 0.037 0.000 1.387 681 I HN 0.292 nan 8.210 nan 0.000 0.478 682 A N 4.289 127.124 122.820 0.025 0.000 2.311 682 A HA 0.377 4.697 4.320 -0.000 0.000 0.334 682 A C -0.636 176.961 177.584 0.020 0.000 1.139 682 A CA -0.613 51.436 52.037 0.020 0.000 0.830 682 A CB 0.895 19.906 19.000 0.018 0.000 1.234 682 A HN 0.731 nan 8.150 nan 0.000 0.483 683 D N -0.094 120.315 120.400 0.015 0.000 2.450 683 D HA 0.388 5.028 4.640 -0.000 0.000 0.247 683 D C 1.264 177.576 176.300 0.021 0.000 1.162 683 D CA 2.099 56.108 54.000 0.015 0.000 0.879 683 D CB 0.215 41.019 40.800 0.007 0.000 1.163 683 D HN 1.263 nan 8.370 nan 0.000 0.472 684 G N 3.110 111.927 108.800 0.027 0.000 2.195 684 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.224 684 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.224 684 G C 0.109 175.038 174.900 0.048 0.000 0.990 684 G CA -0.016 45.106 45.100 0.037 0.000 0.639 684 G HN 0.613 nan 8.290 nan 0.000 0.514 685 D N 0.246 120.671 120.400 0.043 0.000 2.362 685 D HA 0.460 5.100 4.640 -0.000 0.000 0.242 685 D C 0.707 177.038 176.300 0.051 0.000 1.132 685 D CA -0.006 54.024 54.000 0.050 0.000 0.907 685 D CB 1.648 42.474 40.800 0.044 0.000 1.195 685 D HN 0.140 nan 8.370 nan 0.000 0.429 686 V N 1.847 121.800 119.914 0.064 0.000 2.465 686 V HA 0.358 4.478 4.120 -0.000 0.000 0.279 686 V C 0.316 176.438 176.094 0.047 0.000 1.045 686 V CA -0.480 61.827 62.300 0.012 0.000 0.938 686 V CB 1.347 33.187 31.823 0.028 0.000 0.986 686 V HN 0.381 nan 8.190 nan 0.000 0.467 687 V N 2.955 122.858 119.914 -0.018 0.000 2.914 687 V HA 0.699 4.819 4.120 -0.000 0.000 0.314 687 V C -0.470 175.622 176.094 -0.003 0.000 1.084 687 V CA -1.211 61.113 62.300 0.040 0.000 0.963 687 V CB 1.936 33.778 31.823 0.032 0.000 1.025 687 V HN 0.834 nan 8.190 nan 0.000 0.432 688 R N 2.108 122.658 120.500 0.082 0.000 2.255 688 R HA 0.728 5.068 4.340 -0.000 0.000 0.326 688 R C -1.430 174.956 176.300 0.143 0.000 0.986 688 R CA -0.432 55.708 56.100 0.066 0.000 0.847 688 R CB 1.617 31.993 30.300 0.127 0.000 1.111 688 R HN 0.779 nan 8.270 nan 0.000 0.452 689 V N 6.323 126.281 119.914 0.074 0.000 2.370 689 V HA 0.374 4.494 4.120 -0.000 0.000 0.279 689 V C -0.090 176.041 176.094 0.062 0.000 1.029 689 V CA -0.468 61.854 62.300 0.036 0.000 0.870 689 V CB 1.043 32.849 31.823 -0.028 0.000 0.984 689 V HN 0.881 nan 8.190 nan 0.000 0.451 690 H N 3.360 122.370 119.070 -0.099 0.000 3.008 690 H HA 0.710 5.266 4.556 -0.000 0.000 0.354 690 H C -1.248 173.865 175.328 -0.359 0.000 1.252 690 H CA -0.896 55.063 56.048 -0.148 0.000 1.117 690 H CB 2.325 32.050 29.762 -0.062 0.000 1.857 690 H HN 0.667 nan 8.280 nan 0.000 0.547 691 N N -0.202 118.282 118.700 -0.359 0.000 3.522 691 N HA 0.071 4.811 4.740 -0.000 0.000 0.328 691 N C -0.355 175.037 175.510 -0.198 0.000 1.623 691 N CA -0.528 52.024 53.050 -0.830 0.000 0.812 691 N CB 0.070 37.996 38.487 -0.935 0.000 2.008 691 N HN 0.397 nan 8.380 nan 0.000 0.601 692 D N -0.619 119.758 120.400 -0.038 0.000 2.348 692 D HA 0.056 4.696 4.640 -0.000 0.000 0.216 692 D C 1.023 177.342 176.300 0.031 0.000 0.970 692 D CA 0.668 54.728 54.000 0.100 0.000 0.889 692 D CB 0.215 41.112 40.800 0.163 0.000 0.912 692 D HN 0.415 nan 8.370 nan 0.000 0.524 693 R N -0.300 120.184 120.500 -0.026 0.000 2.206 693 R HA 0.326 4.666 4.340 -0.000 0.000 0.198 693 R C 1.220 177.506 176.300 -0.024 0.000 0.986 693 R CA 0.486 56.568 56.100 -0.030 0.000 1.029 693 R CB 0.842 31.108 30.300 -0.057 0.000 0.966 693 R HN 0.052 nan 8.270 nan 0.000 0.487 694 G N 0.104 108.888 108.800 -0.026 0.000 2.489 694 G HA2 0.284 4.244 3.960 -0.000 0.000 0.305 694 G HA3 0.284 4.244 3.960 -0.000 0.000 0.305 694 G C -1.992 172.921 174.900 0.022 0.000 1.311 694 G CA -0.806 44.295 45.100 0.002 0.000 0.813 694 G HN 0.104 nan 8.290 nan 0.000 0.480 695 Q N -1.120 118.705 119.800 0.042 0.000 2.320 695 Q HA 0.703 5.043 4.340 -0.000 0.000 0.272 695 Q C -0.992 175.033 176.000 0.040 0.000 1.023 695 Q CA -1.030 54.806 55.803 0.055 0.000 0.855 695 Q CB 2.482 31.249 28.738 0.049 0.000 1.367 695 Q HN 1.203 nan 8.270 nan 0.000 0.406 696 I N -1.151 119.431 120.570 0.019 0.000 2.969 696 I HA 0.652 4.822 4.170 -0.000 0.000 0.307 696 I C -1.513 174.556 176.117 -0.080 0.000 1.149 696 I CA -1.609 59.689 61.300 -0.003 0.000 1.008 696 I CB 2.056 40.071 38.000 0.025 0.000 1.232 696 I HN 0.620 nan 8.210 nan 0.000 0.435 697 L N 2.943 124.077 121.223 -0.148 0.000 2.309 697 L HA 0.704 5.044 4.340 -0.000 0.000 0.282 697 L C -0.031 176.674 176.870 -0.276 0.000 1.036 697 L CA -0.350 54.307 54.840 -0.305 0.000 0.806 697 L CB 1.944 43.685 42.059 -0.530 0.000 1.220 697 L HN 0.903 nan 8.230 nan 0.000 0.429 698 T N -1.050 113.341 114.554 -0.271 0.000 2.812 698 T HA 0.706 5.055 4.350 -0.000 0.000 0.294 698 T C -0.320 174.294 174.700 -0.143 0.000 1.159 698 T CA -0.780 61.220 62.100 -0.166 0.000 1.008 698 T CB 1.953 70.767 68.868 -0.089 0.000 1.289 698 T HN 0.639 nan 8.240 nan 0.000 0.514 699 G N 0.226 109.018 108.800 -0.015 0.000 2.416 699 G HA2 0.581 4.541 3.960 -0.000 0.000 0.324 699 G HA3 0.581 4.541 3.960 -0.000 0.000 0.324 699 G C -0.779 174.136 174.900 0.024 0.000 1.194 699 G CA -0.685 44.437 45.100 0.036 0.000 0.922 699 G HN 0.794 nan 8.290 nan 0.000 0.467 700 V N 2.699 122.625 119.914 0.021 0.000 2.607 700 V HA 0.420 4.540 4.120 -0.000 0.000 0.289 700 V C -0.035 176.071 176.094 0.020 0.000 1.053 700 V CA -0.461 61.848 62.300 0.016 0.000 0.996 700 V CB 1.606 33.440 31.823 0.017 0.000 0.995 700 V HN 0.508 nan 8.190 nan 0.000 0.476 701 K N 3.252 123.658 120.400 0.011 0.000 2.535 701 K HA 0.447 4.767 4.320 -0.000 0.000 0.253 701 K C -1.163 175.436 176.600 -0.001 0.000 0.953 701 K CA -0.505 55.786 56.287 0.007 0.000 0.863 701 K CB 1.915 34.419 32.500 0.006 0.000 1.111 701 K HN 0.438 nan 8.250 nan 0.000 0.431 702 V N 2.851 122.762 119.914 -0.004 0.000 2.488 702 V HA 0.331 4.451 4.120 -0.000 0.000 0.277 702 V C 0.544 176.617 176.094 -0.036 0.000 1.046 702 V CA -0.006 62.285 62.300 -0.016 0.000 0.986 702 V CB 1.199 33.013 31.823 -0.015 0.000 0.989 702 V HN 0.816 nan 8.190 nan 0.000 0.475 703 T N 2.046 116.568 114.554 -0.053 0.000 3.047 703 T HA 0.249 4.599 4.350 -0.000 0.000 0.340 703 T C 0.024 174.655 174.700 -0.114 0.000 1.421 703 T CA -0.382 61.677 62.100 -0.068 0.000 1.090 703 T CB 1.635 70.485 68.868 -0.029 0.000 1.292 703 T HN 0.817 nan 8.240 nan 0.000 0.480 704 D N 2.403 122.718 120.400 -0.143 0.000 2.336 704 D HA 0.199 4.839 4.640 -0.000 0.000 0.229 704 D C 1.712 178.029 176.300 0.027 0.000 1.061 704 D CA 0.555 54.455 54.000 -0.168 0.000 0.875 704 D CB -0.206 40.484 40.800 -0.183 0.000 0.904 704 D HN 0.555 nan 8.370 nan 0.000 0.525 705 A N 0.489 123.330 122.820 0.035 0.000 1.972 705 A HA 0.062 4.382 4.320 -0.000 0.000 0.219 705 A C 1.319 178.981 177.584 0.129 0.000 1.169 705 A CA 1.121 53.206 52.037 0.080 0.000 0.635 705 A CB -0.608 18.422 19.000 0.051 0.000 0.810 705 A HN 0.331 nan 8.150 nan 0.000 0.446 706 V N -1.238 118.751 119.914 0.125 0.000 2.481 706 V HA 0.565 4.685 4.120 -0.000 0.000 0.286 706 V C 0.142 176.366 176.094 0.216 0.000 1.042 706 V CA -0.940 61.450 62.300 0.150 0.000 0.928 706 V CB 0.702 32.594 31.823 0.115 0.000 0.986 706 V HN 0.553 nan 8.190 nan 0.000 0.462 707 M N 1.716 121.409 119.600 0.155 0.000 2.245 707 M HA 0.392 4.872 4.480 -0.000 0.000 0.330 707 M C 0.205 176.508 176.300 0.005 0.000 1.098 707 M CA -0.161 55.194 55.300 0.091 0.000 1.172 707 M CB 0.240 32.850 32.600 0.016 0.000 1.467 707 M HN 0.732 nan 8.290 nan 0.000 0.454 708 K N 1.142 121.401 120.400 -0.236 0.000 2.448 708 K HA 0.152 4.472 4.320 -0.000 0.000 0.278 708 K C 0.888 177.418 176.600 -0.117 0.000 1.009 708 K CA 1.417 57.491 56.287 -0.355 0.000 0.995 708 K CB 0.043 32.230 32.500 -0.520 0.000 0.917 708 K HN 1.031 nan 8.250 nan 0.000 0.481 709 G N 1.759 110.531 108.800 -0.048 0.000 2.195 709 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.246 709 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.246 709 G C -0.385 174.553 174.900 0.063 0.000 0.984 709 G CA 0.053 45.158 45.100 0.008 0.000 0.633 709 G HN 0.508 nan 8.290 nan 0.000 0.525 710 V N 2.292 122.249 119.914 0.072 0.000 2.656 710 V HA 0.751 4.871 4.120 -0.000 0.000 0.307 710 V C 0.407 176.563 176.094 0.104 0.000 1.051 710 V CA -0.499 61.873 62.300 0.119 0.000 0.893 710 V CB 1.819 33.711 31.823 0.116 0.000 0.999 710 V HN 0.692 nan 8.190 nan 0.000 0.426 711 I N 1.446 122.073 120.570 0.096 0.000 2.740 711 I HA 0.718 4.888 4.170 -0.000 0.000 0.303 711 I C -0.681 175.461 176.117 0.041 0.000 1.044 711 I CA -0.744 60.589 61.300 0.055 0.000 1.064 711 I CB 2.054 40.070 38.000 0.028 0.000 1.249 711 I HN 0.665 nan 8.210 nan 0.000 0.433 712 Q N 5.223 125.017 119.800 -0.010 0.000 2.333 712 Q HA 0.641 4.981 4.340 -0.000 0.000 0.268 712 Q C -1.753 174.155 176.000 -0.153 0.000 1.007 712 Q CA -0.650 55.111 55.803 -0.070 0.000 0.810 712 Q CB 1.901 30.559 28.738 -0.133 0.000 1.264 712 Q HN 0.801 nan 8.270 nan 0.000 0.452 713 I N 4.627 125.137 120.570 -0.101 0.000 2.503 713 I HA 0.235 4.405 4.170 -0.000 0.000 0.282 713 I C -1.038 175.106 176.117 0.045 0.000 1.059 713 I CA -0.879 60.377 61.300 -0.073 0.000 1.081 713 I CB 0.868 38.858 38.000 -0.016 0.000 1.210 713 I HN 0.581 nan 8.210 nan 0.000 0.450 714 Y N 3.724 124.072 120.300 0.080 0.000 2.550 714 Y HA 0.081 4.630 4.550 -0.000 0.000 0.343 714 Y C 1.045 177.008 175.900 0.104 0.000 1.245 714 Y CA -0.674 57.486 58.100 0.099 0.000 1.462 714 Y CB 0.347 38.854 38.460 0.078 0.000 1.340 714 Y HN 0.565 nan 8.280 nan 0.000 0.604 715 E N -0.165 120.209 120.200 0.290 0.000 2.392 715 E HA 0.466 4.816 4.350 -0.000 0.000 0.256 715 E C 1.043 177.762 176.600 0.197 0.000 1.145 715 E CA 0.088 56.601 56.400 0.188 0.000 0.929 715 E CB 0.353 30.124 29.700 0.118 0.000 0.998 715 E HN 0.758 nan 8.360 nan 0.000 0.442 716 G N 0.206 109.135 108.800 0.214 0.000 2.195 716 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.224 716 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.224 716 G C 0.516 175.667 174.900 0.417 0.000 0.990 716 G CA -0.299 44.973 45.100 0.287 0.000 0.639 716 G HN 0.951 nan 8.290 nan 0.000 0.514 717 G N -0.323 108.742 108.800 0.442 0.000 2.398 717 G HA2 0.346 4.306 3.960 -0.000 0.000 0.246 717 G HA3 0.346 4.306 3.960 -0.000 0.000 0.246 717 G C 0.116 175.438 174.900 0.703 0.000 1.289 717 G CA -0.215 45.285 45.100 0.665 0.000 0.869 717 G HN 0.278 nan 8.290 nan 0.000 0.543 718 W N 2.265 123.764 121.300 0.332 0.000 2.659 718 W HA 0.208 4.868 4.660 -0.000 0.000 0.342 718 W C 0.338 176.975 176.519 0.197 0.000 1.287 718 W CA -1.408 56.023 57.345 0.143 0.000 1.460 718 W CB -0.759 28.645 29.460 -0.093 0.000 1.503 718 W HN 0.469 nan 8.180 nan 0.000 0.483 719 Y N 4.034 124.509 120.300 0.291 0.000 2.865 719 Y HA -0.086 4.464 4.550 -0.000 0.000 0.338 719 Y C 0.265 176.248 175.900 0.137 0.000 1.269 719 Y CA 0.796 59.013 58.100 0.195 0.000 1.585 719 Y CB 0.191 38.721 38.460 0.116 0.000 1.224 719 Y HN 0.328 nan 8.280 nan 0.000 0.554 720 D N 9.291 129.575 120.400 -0.194 0.000 2.412 720 D HA 0.285 4.925 4.640 -0.000 0.000 0.276 720 D C -3.002 173.067 176.300 -0.387 0.000 1.196 720 D CA -2.196 51.642 54.000 -0.269 0.000 0.905 720 D CB 0.733 41.482 40.800 -0.085 0.000 1.081 720 D HN 0.282 nan 8.370 nan 0.000 0.502 721 P HA 0.066 nan 4.420 nan 0.000 0.271 721 P C 0.627 177.809 177.300 -0.196 0.000 1.216 721 P CA -0.190 62.645 63.100 -0.442 0.000 0.776 721 P CB 1.649 33.066 31.700 -0.472 0.000 0.881 722 S N 0.895 116.533 115.700 -0.103 0.000 2.356 722 S HA -0.103 4.367 4.470 -0.000 0.000 0.223 722 S C 0.737 175.304 174.600 -0.055 0.000 1.032 722 S CA 1.422 59.587 58.200 -0.060 0.000 1.005 722 S CB -0.334 62.852 63.200 -0.023 0.000 0.867 722 S HN 0.650 nan 8.310 nan 0.000 0.449 723 D N 0.155 120.531 120.400 -0.040 0.000 2.616 723 D HA 0.222 4.862 4.640 -0.000 0.000 0.238 723 D C 0.776 177.069 176.300 -0.012 0.000 1.354 723 D CA -0.357 53.624 54.000 -0.031 0.000 0.970 723 D CB 1.618 42.410 40.800 -0.013 0.000 1.369 723 D HN 0.016 nan 8.370 nan 0.000 0.585 724 V N 2.044 121.942 119.914 -0.027 0.000 2.568 724 V HA -0.128 3.992 4.120 -0.000 0.000 0.253 724 V C 1.712 177.829 176.094 0.039 0.000 1.072 724 V CA 2.301 64.612 62.300 0.017 0.000 1.084 724 V CB -1.446 30.358 31.823 -0.030 0.000 0.676 724 V HN 0.680 nan 8.190 nan 0.000 0.469 725 T N -1.942 112.621 114.554 0.015 0.000 3.129 725 T HA 0.107 4.457 4.350 -0.000 0.000 0.251 725 T C 0.710 175.428 174.700 0.030 0.000 1.117 725 T CA 0.424 62.538 62.100 0.023 0.000 1.034 725 T CB -0.302 68.570 68.868 0.007 0.000 0.968 725 T HN 0.743 nan 8.240 nan 0.000 0.526 726 E N 1.668 121.887 120.200 0.032 0.000 2.130 726 E HA 0.533 4.882 4.350 -0.000 0.000 0.284 726 E C -0.245 176.384 176.600 0.048 0.000 1.018 726 E CA -0.795 55.625 56.400 0.033 0.000 0.817 726 E CB 0.837 30.553 29.700 0.026 0.000 1.078 726 E HN 0.432 nan 8.360 nan 0.000 0.396 727 A N 3.519 126.365 122.820 0.044 0.000 2.548 727 A HA 0.361 4.680 4.320 -0.000 0.000 0.247 727 A C 1.220 178.834 177.584 0.049 0.000 1.067 727 A CA 0.693 52.759 52.037 0.048 0.000 0.757 727 A CB -0.355 18.669 19.000 0.038 0.000 0.996 727 A HN 1.097 nan 8.150 nan 0.000 0.504 728 G N 2.233 111.068 108.800 0.059 0.000 2.160 728 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.251 728 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.251 728 G C 0.594 175.534 174.900 0.067 0.000 1.008 728 G CA 0.775 45.910 45.100 0.058 0.000 0.724 728 G HN 1.561 nan 8.290 nan 0.000 0.514 729 T N -0.215 114.385 114.554 0.078 0.000 2.939 729 T HA 0.258 4.608 4.350 -0.000 0.000 0.319 729 T C 0.843 175.588 174.700 0.075 0.000 1.082 729 T CA 0.275 62.414 62.100 0.065 0.000 1.133 729 T CB 0.251 69.152 68.868 0.055 0.000 1.019 729 T HN 1.029 nan 8.240 nan 0.000 0.548 730 L N 4.539 125.786 121.223 0.041 0.000 2.455 730 L HA 0.298 4.637 4.340 -0.000 0.000 0.272 730 L C 0.091 176.975 176.870 0.023 0.000 1.174 730 L CA -0.061 54.795 54.840 0.026 0.000 0.869 730 L CB 0.664 42.716 42.059 -0.011 0.000 1.130 730 L HN 0.629 nan 8.230 nan 0.000 0.474 731 D N 3.595 124.034 120.400 0.066 0.000 2.316 731 D HA 0.129 4.768 4.640 -0.000 0.000 0.245 731 D C 0.584 176.906 176.300 0.036 0.000 1.171 731 D CA 0.012 54.058 54.000 0.075 0.000 0.856 731 D CB 0.991 41.949 40.800 0.263 0.000 1.090 731 D HN 0.589 nan 8.370 nan 0.000 0.476 732 K N 2.907 123.324 120.400 0.029 0.000 2.288 732 K HA -0.130 4.190 4.320 -0.000 0.000 0.201 732 K C 0.913 177.666 176.600 0.254 0.000 1.048 732 K CA 0.662 56.998 56.287 0.083 0.000 0.956 732 K CB 0.124 32.666 32.500 0.071 0.000 0.746 732 K HN 0.507 nan 8.250 nan 0.000 0.461 733 Y N 0.256 120.648 120.300 0.154 0.000 2.266 733 Y HA 0.161 4.711 4.550 -0.000 0.000 0.294 733 Y C 0.856 176.917 175.900 0.268 0.000 1.127 733 Y CA 1.176 59.427 58.100 0.251 0.000 1.140 733 Y CB 0.980 39.560 38.460 0.200 0.000 1.071 733 Y HN 0.036 nan 8.280 nan 0.000 0.525 734 G N 1.500 110.323 108.800 0.039 0.000 2.511 734 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.230 734 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.230 734 G C -1.657 173.333 174.900 0.151 0.000 1.264 734 G CA -0.252 44.822 45.100 -0.043 0.000 0.866 734 G HN 0.314 nan 8.290 nan 0.000 0.523 735 D N 0.761 121.317 120.400 0.260 0.000 2.347 735 D HA 0.350 4.990 4.640 -0.000 0.000 0.235 735 D C 1.389 177.764 176.300 0.124 0.000 1.149 735 D CA -0.138 54.013 54.000 0.253 0.000 0.850 735 D CB 1.593 42.571 40.800 0.296 0.000 1.061 735 D HN 0.135 nan 8.370 nan 0.000 0.487 736 V N 4.718 124.693 119.914 0.101 0.000 2.720 736 V HA -0.176 3.944 4.120 -0.000 0.000 0.256 736 V C 1.404 177.498 176.094 0.000 0.000 1.082 736 V CA 1.376 63.704 62.300 0.046 0.000 1.101 736 V CB -0.472 31.389 31.823 0.064 0.000 0.693 736 V HN 0.551 nan 8.190 nan 0.000 0.479 737 N N -0.259 118.432 118.700 -0.014 0.000 2.571 737 N HA -0.014 4.726 4.740 -0.000 0.000 0.189 737 N C 1.368 176.797 175.510 -0.135 0.000 1.154 737 N CA 0.781 53.781 53.050 -0.084 0.000 0.907 737 N CB 0.452 38.872 38.487 -0.112 0.000 0.977 737 N HN 0.420 nan 8.380 nan 0.000 0.449 738 V N 0.394 120.246 119.914 -0.102 0.000 3.041 738 V HA -0.028 4.092 4.120 -0.000 0.000 0.260 738 V C 1.879 177.922 176.094 -0.085 0.000 1.105 738 V CA 0.975 63.208 62.300 -0.111 0.000 1.125 738 V CB -0.099 31.713 31.823 -0.019 0.000 0.730 738 V HN 0.267 nan 8.190 nan 0.000 0.479 739 L N -0.382 120.792 121.223 -0.081 0.000 2.590 739 L HA 0.204 4.544 4.340 -0.000 0.000 0.227 739 L C 1.274 178.080 176.870 -0.106 0.000 1.099 739 L CA 0.069 54.851 54.840 -0.097 0.000 0.872 739 L CB 0.000 41.998 42.059 -0.102 0.000 1.088 739 L HN 0.377 nan 8.230 nan 0.000 0.479 740 S N 0.410 116.049 115.700 -0.101 0.000 2.632 740 S HA 0.662 5.132 4.470 -0.000 0.000 0.267 740 S C 0.050 174.584 174.600 -0.110 0.000 1.276 740 S CA -0.622 57.519 58.200 -0.099 0.000 0.998 740 S CB 1.923 65.071 63.200 -0.086 0.000 0.953 740 S HN 0.114 nan 8.310 nan 0.000 0.547 741 A N 0.397 123.155 122.820 -0.102 0.000 2.295 741 A HA 0.578 4.898 4.320 -0.000 0.000 0.318 741 A C -0.407 177.102 177.584 -0.126 0.000 1.134 741 A CA -0.632 51.341 52.037 -0.107 0.000 0.827 741 A CB 0.580 19.520 19.000 -0.101 0.000 1.136 741 A HN 0.832 nan 8.150 nan 0.000 0.493 742 D N 1.268 121.595 120.400 -0.121 0.000 2.479 742 D HA 0.494 5.134 4.640 -0.000 0.000 0.247 742 D C -0.536 175.715 176.300 -0.082 0.000 1.119 742 D CA -0.035 53.894 54.000 -0.119 0.000 0.922 742 D CB -0.205 40.534 40.800 -0.102 0.000 1.014 742 D HN 0.528 nan 8.370 nan 0.000 0.510 743 I N -1.089 119.422 120.570 -0.097 0.000 2.969 743 I HA 0.801 4.971 4.170 -0.000 0.000 0.307 743 I C 0.310 176.379 176.117 -0.079 0.000 1.149 743 I CA -1.446 59.794 61.300 -0.100 0.000 1.008 743 I CB 2.043 39.934 38.000 -0.182 0.000 1.232 743 I HN 0.166 nan 8.210 nan 0.000 0.435 744 G N 1.120 109.890 108.800 -0.049 0.000 2.467 744 G HA2 0.377 4.337 3.960 -0.000 0.000 0.257 744 G HA3 0.377 4.337 3.960 -0.000 0.000 0.257 744 G C 0.932 175.834 174.900 0.005 0.000 1.227 744 G CA 0.189 45.279 45.100 -0.017 0.000 0.835 744 G HN 0.936 nan 8.290 nan 0.000 0.556 745 T N -1.590 112.977 114.554 0.021 0.000 2.759 745 T HA 0.021 4.371 4.350 -0.000 0.000 0.269 745 T C 1.240 175.975 174.700 0.059 0.000 1.042 745 T CA 1.490 63.623 62.100 0.055 0.000 1.140 745 T CB -0.380 68.511 68.868 0.037 0.000 0.864 745 T HN 1.617 nan 8.240 nan 0.000 0.455 746 S N -1.057 114.655 115.700 0.020 0.000 2.663 746 S HA 0.385 4.855 4.470 -0.000 0.000 0.264 746 S C -0.152 174.374 174.600 -0.122 0.000 1.112 746 S CA -0.970 57.222 58.200 -0.013 0.000 0.823 746 S CB 1.114 64.321 63.200 0.011 0.000 1.111 746 S HN 0.084 nan 8.310 nan 0.000 0.476 747 K N -0.032 120.188 120.400 -0.301 0.000 2.365 747 K HA 0.159 4.479 4.320 -0.000 0.000 0.199 747 K C 1.631 177.831 176.600 -0.667 0.000 1.045 747 K CA 0.503 56.445 56.287 -0.575 0.000 0.962 747 K CB -0.268 31.607 32.500 -1.042 0.000 0.759 747 K HN 0.453 nan 8.250 nan 0.000 0.469 748 L N 0.337 121.292 121.223 -0.447 0.000 1.988 748 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 748 L C 1.930 178.580 176.870 -0.368 0.000 1.071 748 L CA 2.112 56.801 54.840 -0.251 0.000 0.744 748 L CB -0.501 41.504 42.059 -0.089 0.000 0.893 748 L HN 0.125 nan 8.230 nan 0.000 0.433 749 A N -2.425 120.275 122.820 -0.199 0.000 2.167 749 A HA 0.044 4.364 4.320 -0.000 0.000 0.208 749 A C 0.869 178.554 177.584 0.168 0.000 1.198 749 A CA -0.051 51.936 52.037 -0.083 0.000 0.863 749 A CB 0.188 19.169 19.000 -0.031 0.000 0.904 749 A HN 0.579 nan 8.150 nan 0.000 0.484 750 Q N -0.702 119.151 119.800 0.089 0.000 2.457 750 Q HA -0.176 4.164 4.340 -0.000 0.000 0.283 750 Q C 0.529 176.555 176.000 0.044 0.000 1.234 750 Q CA 0.882 56.747 55.803 0.103 0.000 0.877 750 Q CB -2.466 26.399 28.738 0.212 0.000 1.250 750 Q HN 0.776 nan 8.270 nan 0.000 0.481 751 G N 0.990 109.799 108.800 0.014 0.000 2.599 751 G HA2 0.345 4.305 3.960 -0.000 0.000 0.264 751 G HA3 0.345 4.305 3.960 -0.000 0.000 0.264 751 G C 0.329 175.190 174.900 -0.065 0.000 1.200 751 G CA -0.012 45.062 45.100 -0.044 0.000 0.896 751 G HN 0.480 nan 8.290 nan 0.000 0.536 752 N N -2.401 116.232 118.700 -0.112 0.000 2.483 752 N HA 0.266 5.006 4.740 -0.000 0.000 0.269 752 N C -0.248 175.269 175.510 0.011 0.000 1.209 752 N CA -0.554 52.458 53.050 -0.063 0.000 0.969 752 N CB 1.392 39.845 38.487 -0.056 0.000 1.173 752 N HN 0.211 nan 8.380 nan 0.000 0.475 753 C N 1.737 121.042 119.300 0.009 0.000 2.534 753 C HA 0.454 4.914 4.460 -0.000 0.000 0.285 753 C C 1.842 176.859 174.990 0.045 0.000 1.505 753 C CA -0.713 58.324 59.018 0.033 0.000 1.715 753 C CB -0.981 26.752 27.740 -0.012 0.000 2.935 753 C HN 1.002 nan 8.230 nan 0.000 0.540 754 G N 0.505 109.354 108.800 0.082 0.000 2.527 754 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.219 754 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.219 754 G C 1.304 176.263 174.900 0.099 0.000 1.117 754 G CA 0.753 45.906 45.100 0.087 0.000 0.759 754 G HN 0.714 nan 8.290 nan 0.000 0.556 755 Q N -0.382 119.498 119.800 0.134 0.000 2.172 755 Q HA 0.103 4.443 4.340 -0.000 0.000 0.217 755 Q C -0.156 175.945 176.000 0.168 0.000 0.832 755 Q CA -0.067 55.835 55.803 0.165 0.000 1.010 755 Q CB 0.890 29.777 28.738 0.249 0.000 1.133 755 Q HN 0.159 nan 8.270 nan 0.000 0.489 756 T N 1.512 116.127 114.554 0.101 0.000 3.316 756 T HA 0.339 4.689 4.350 -0.000 0.000 0.341 756 T C -0.665 174.025 174.700 -0.016 0.000 1.397 756 T CA -0.043 62.120 62.100 0.104 0.000 1.085 756 T CB 0.259 69.176 68.868 0.083 0.000 1.160 756 T HN -0.123 nan 8.240 nan 0.000 0.694 757 V N 4.321 124.140 119.914 -0.159 0.000 2.668 757 V HA 0.541 4.661 4.120 -0.000 0.000 0.304 757 V C -0.919 175.017 176.094 -0.263 0.000 1.071 757 V CA -1.009 61.170 62.300 -0.202 0.000 0.894 757 V CB 1.971 33.671 31.823 -0.204 0.000 1.008 757 V HN 0.424 nan 8.190 nan 0.000 0.425 758 L N 3.548 124.700 121.223 -0.117 0.000 2.342 758 L HA 1.043 5.383 4.340 -0.000 0.000 0.271 758 L C 0.178 176.973 176.870 -0.125 0.000 1.008 758 L CA -0.076 54.736 54.840 -0.046 0.000 0.818 758 L CB 1.896 44.013 42.059 0.097 0.000 1.296 758 L HN 0.996 nan 8.230 nan 0.000 0.427 759 A N 1.643 124.393 122.820 -0.116 0.000 2.581 759 A HA 0.783 5.103 4.320 -0.000 0.000 0.290 759 A C -1.566 175.921 177.584 -0.162 0.000 1.119 759 A CA -0.460 51.385 52.037 -0.321 0.000 0.670 759 A CB 1.542 20.359 19.000 -0.305 0.000 1.280 759 A HN 0.522 nan 8.150 nan 0.000 0.425 760 E N -0.513 119.490 120.200 -0.330 0.000 2.244 760 E HA 0.708 5.058 4.350 -0.000 0.000 0.266 760 E C -1.548 174.902 176.600 -0.251 0.000 0.914 760 E CA -0.433 55.848 56.400 -0.198 0.000 0.794 760 E CB 1.942 31.549 29.700 -0.155 0.000 1.210 760 E HN 0.692 nan 8.360 nan 0.000 0.414 761 V N 3.286 123.172 119.914 -0.046 0.000 2.709 761 V HA 0.529 4.648 4.120 -0.000 0.000 0.308 761 V C -0.850 175.311 176.094 0.112 0.000 1.062 761 V CA -0.748 61.576 62.300 0.040 0.000 0.901 761 V CB 1.637 33.476 31.823 0.026 0.000 1.003 761 V HN 0.811 nan 8.190 nan 0.000 0.425 762 E N 2.513 122.807 120.200 0.156 0.000 2.383 762 E HA 0.497 4.847 4.350 -0.000 0.000 0.275 762 E C -1.079 175.589 176.600 0.114 0.000 0.918 762 E CA -1.129 55.353 56.400 0.137 0.000 0.764 762 E CB 2.558 32.360 29.700 0.170 0.000 1.252 762 E HN 0.492 nan 8.360 nan 0.000 0.449 763 K N 2.164 122.614 120.400 0.083 0.000 2.451 763 K HA -0.019 4.301 4.320 -0.000 0.000 0.280 763 K C -1.125 175.535 176.600 0.100 0.000 1.020 763 K CA -0.277 56.057 56.287 0.078 0.000 1.008 763 K CB 0.318 32.845 32.500 0.045 0.000 0.917 763 K HN 0.593 nan 8.250 nan 0.000 0.478 764 Y N 4.201 124.495 120.300 -0.010 0.000 2.480 764 Y HA 0.026 4.576 4.550 -0.000 0.000 0.341 764 Y C 0.631 176.526 175.900 -0.009 0.000 1.031 764 Y CA 0.437 58.526 58.100 -0.018 0.000 1.295 764 Y CB 0.708 39.140 38.460 -0.046 0.000 1.162 764 Y HN 0.716 nan 8.280 nan 0.000 0.523 765 T N 1.342 115.575 114.554 -0.536 0.000 3.040 765 T HA 0.342 4.692 4.350 -0.000 0.000 0.266 765 T C 0.972 175.300 174.700 -0.620 0.000 1.005 765 T CA 0.111 61.947 62.100 -0.441 0.000 0.906 765 T CB -0.150 68.593 68.868 -0.208 0.000 1.082 765 T HN 0.730 nan 8.240 nan 0.000 0.531 766 G N 3.177 111.269 108.800 -1.180 0.000 2.631 766 G HA2 0.476 4.436 3.960 -0.000 0.000 0.271 766 G HA3 0.476 4.436 3.960 -0.000 0.000 0.271 766 G C -2.125 172.518 174.900 -0.428 0.000 1.302 766 G CA -1.076 43.596 45.100 -0.712 0.000 1.002 766 G HN 0.268 nan 8.290 nan 0.000 0.519 767 P HA 0.307 nan 4.420 nan 0.000 0.269 767 P C -0.139 177.270 177.300 0.182 0.000 1.215 767 P CA -0.058 63.069 63.100 0.045 0.000 0.780 767 P CB 0.685 32.420 31.700 0.057 0.000 0.898 768 A N 2.172 125.074 122.820 0.137 0.000 2.498 768 A HA 0.396 4.716 4.320 -0.000 0.000 0.239 768 A C 0.550 178.225 177.584 0.151 0.000 1.068 768 A CA -0.250 51.890 52.037 0.171 0.000 0.766 768 A CB -0.331 18.734 19.000 0.108 0.000 1.003 768 A HN 0.467 nan 8.150 nan 0.000 0.497 769 V N 0.128 120.136 119.914 0.156 0.000 2.881 769 V HA 0.849 4.969 4.120 -0.000 0.000 0.316 769 V C 0.008 176.152 176.094 0.083 0.000 1.070 769 V CA -0.538 61.822 62.300 0.102 0.000 0.976 769 V CB 1.681 33.551 31.823 0.078 0.000 1.038 769 V HN 0.759 nan 8.190 nan 0.000 0.446 770 T N 4.446 119.030 114.554 0.050 0.000 2.779 770 T HA 0.586 4.935 4.350 -0.000 0.000 0.280 770 T C -0.184 174.531 174.700 0.025 0.000 0.987 770 T CA -0.299 61.822 62.100 0.034 0.000 0.966 770 T CB 0.970 69.847 68.868 0.016 0.000 0.933 770 T HN 0.640 nan 8.240 nan 0.000 0.442 771 L N 3.686 124.928 121.223 0.032 0.000 2.360 771 L HA 0.278 4.618 4.340 -0.000 0.000 0.276 771 L C 1.484 178.352 176.870 -0.005 0.000 1.121 771 L CA -0.191 54.669 54.840 0.033 0.000 0.845 771 L CB 0.510 42.623 42.059 0.089 0.000 1.143 771 L HN 0.854 nan 8.230 nan 0.000 0.452 772 T N -2.774 111.741 114.554 -0.066 0.000 3.043 772 T HA 0.091 4.441 4.350 -0.000 0.000 0.272 772 T C 1.435 176.037 174.700 -0.164 0.000 0.990 772 T CA 0.273 62.316 62.100 -0.094 0.000 0.897 772 T CB 0.636 69.445 68.868 -0.099 0.000 1.111 772 T HN 0.652 nan 8.240 nan 0.000 0.529 773 G N 0.809 109.422 108.800 -0.311 0.000 2.572 773 G HA2 0.147 4.107 3.960 -0.000 0.000 0.216 773 G HA3 0.147 4.107 3.960 -0.000 0.000 0.216 773 G C 0.495 175.112 174.900 -0.471 0.000 1.133 773 G CA 0.031 44.851 45.100 -0.467 0.000 0.791 773 G HN 0.536 nan 8.290 nan 0.000 0.538 774 F N 0.543 120.527 119.950 0.057 0.000 2.647 774 F HA 0.363 4.890 4.527 -0.000 0.000 0.300 774 F C 0.391 176.221 175.800 0.050 0.000 1.106 774 F CA -1.155 56.875 58.000 0.050 0.000 1.313 774 F CB 0.389 39.338 39.000 -0.085 0.000 1.007 774 F HN -0.006 nan 8.300 nan 0.000 0.536 775 V N -2.094 117.890 119.914 0.118 0.000 2.876 775 V HA 0.928 5.048 4.120 -0.000 0.000 0.312 775 V C 0.098 176.162 176.094 -0.049 0.000 1.085 775 V CA -1.782 60.548 62.300 0.051 0.000 0.945 775 V CB 0.985 32.814 31.823 0.011 0.000 1.017 775 V HN 0.033 nan 8.190 nan 0.000 0.428 776 A N 3.821 126.583 122.820 -0.097 0.000 2.406 776 A HA 0.713 5.032 4.320 -0.000 0.000 0.243 776 A C -2.235 175.077 177.584 -0.452 0.000 1.082 776 A CA -1.122 50.688 52.037 -0.379 0.000 0.786 776 A CB -0.677 18.167 19.000 -0.260 0.000 1.029 776 A HN 0.848 nan 8.150 nan 0.000 0.495 777 P HA 0.047 nan 4.420 nan 0.000 0.267 777 P C 0.744 177.875 177.300 -0.281 0.000 1.200 777 P CA -0.088 62.729 63.100 -0.473 0.000 0.772 777 P CB 0.558 31.915 31.700 -0.572 0.000 0.855 778 K N 3.049 123.350 120.400 -0.166 0.000 2.089 778 K HA -0.255 4.065 4.320 -0.000 0.000 0.210 778 K C 1.607 178.168 176.600 -0.066 0.000 1.048 778 K CA 2.020 58.249 56.287 -0.098 0.000 0.926 778 K CB -0.555 31.903 32.500 -0.070 0.000 0.714 778 K HN 0.490 nan 8.250 nan 0.000 0.448 779 A N 0.152 122.940 122.820 -0.052 0.000 2.168 779 A HA 0.060 4.380 4.320 -0.000 0.000 0.215 779 A C 1.924 179.524 177.584 0.027 0.000 1.152 779 A CA 1.341 53.378 52.037 0.000 0.000 0.716 779 A CB -0.316 18.707 19.000 0.038 0.000 0.794 779 A HN 0.456 nan 8.150 nan 0.000 0.465 780 A N -0.699 122.099 122.820 -0.036 0.000 2.275 780 A HA 0.244 4.564 4.320 -0.000 0.000 0.212 780 A C 0.831 178.446 177.584 0.051 0.000 1.201 780 A CA -0.141 51.915 52.037 0.031 0.000 0.843 780 A CB -0.017 18.914 19.000 -0.115 0.000 0.873 780 A HN 0.411 nan 8.150 nan 0.000 0.492 781 E N 0.000 120.213 120.200 0.022 0.000 2.725 781 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 781 E CA 0.000 56.416 56.400 0.026 0.000 0.976 781 E CB 0.000 29.701 29.700 0.002 0.000 0.812 781 E HN 0.000 nan 8.360 nan 0.000 0.440