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 1e5v_1_C DATA FIRST_RESID 3 DATA SEQUENCE LANGTVMSGS HWGVFTATVE NGRATAFTPW EKDPHPSPML AGVLDSIYSP DATA SEQUENCE TRIKYPMVRR EFLEKGVNAD RSTRGNGDFV RVSWDQALDL VAAEVKRVEE DATA SEQUENCE TYGPEGVFGG SYGWKSPGRL HNCTTLLRRM LTLAGGYVNG AGDYSTGAAQ DATA SEQUENCE VIMPHVVGTL EVYEQQTAWP VLAENTEVMV FWAADPIKTS QIGWVIPEHG DATA SEQUENCE AYPGLEALKA KGTKVIVIDP VRTKTVEFFG AEHITPKPQT DVAIMLGMAH DATA SEQUENCE TLVAEDLYDK DFIANYTSGF DKFLPYLDGE TDSTPKTAEW AEGISGVPAE DATA SEQUENCE TIKELARLFE SKRTMLAAGW SMQRMHHGEQ AHWMLVTLAS MLGQIGLPGG DATA SEQUENCE GFGLSYHYSG GGTPSTSGPA LAGITDGGXX XXXXXXXXXX XASVIPVARV DATA SEQUENCE VDMLENPGAE FDFNGTRSKF PDVKMAYWVG GNPFVHHQDR NRMVKAWEKL DATA SEQUENCE ETFVVHDFQW TPTARHADIV LPATTSYERN DIETIGDYSN TGILAMKKIV DATA SEQUENCE EPLYEARSDY DIFAAVAERL GKGAEFTEGK DEMGWIKSFY DDAAKQGKAA DATA SEQUENCE GVQMPAFDAF WAEGIVEFPV TDGADFVRYA SFREDPLLNP LGTPTGLIEI DATA SEQUENCE YSKNIEKMGY DDCPAHPTWM EPLERLDGPG AKYPLHIAAS HPFNRLHSQL DATA SEQUENCE NGTVLREGYA VQGHEPCLMH PDDAAARGIA DGDVVRVHND RGQILTGVKV DATA SEQUENCE TDAVMKGVIQ IYEGGWYDPS DVTEPGTLDK 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 0.000 176.872 176.870 0.003 0.000 1.165 3 L CA 0.000 54.842 54.840 0.003 0.000 0.813 3 L CB 0.000 42.059 42.059 -0.000 0.000 0.961 4 A N 2.789 125.613 122.820 0.006 0.000 2.340 4 A HA 0.762 5.084 4.320 0.003 0.000 0.268 4 A C -0.472 177.116 177.584 0.007 0.000 1.100 4 A CA -0.361 51.681 52.037 0.007 0.000 0.803 4 A CB 0.463 19.470 19.000 0.012 0.000 1.043 4 A HN 0.710 nan 8.150 nan 0.000 0.488 5 N N 0.350 119.053 118.700 0.004 0.000 2.295 5 N HA 0.686 5.427 4.740 0.003 0.000 0.293 5 N C -0.034 175.477 175.510 0.002 0.000 1.040 5 N CA 0.511 53.562 53.050 0.003 0.000 0.840 5 N CB 2.217 40.703 38.487 -0.002 0.000 1.468 5 N HN 1.165 nan 8.380 nan 0.000 0.478 6 G N -0.003 108.800 108.800 0.005 0.000 2.368 6 G HA2 0.191 4.152 3.960 0.003 0.000 0.269 6 G HA3 0.191 4.152 3.960 0.003 0.000 0.269 6 G C -1.484 173.419 174.900 0.005 0.000 1.291 6 G CA -0.482 44.618 45.100 -0.000 0.000 0.903 6 G HN 0.573 nan 8.290 nan 0.000 0.483 7 T N -2.525 112.024 114.554 -0.008 0.000 2.893 7 T HA 0.767 5.118 4.350 0.003 0.000 0.293 7 T C -1.037 173.639 174.700 -0.041 0.000 1.027 7 T CA -0.660 61.435 62.100 -0.009 0.000 0.988 7 T CB 1.972 70.834 68.868 -0.010 0.000 1.043 7 T HN 1.387 nan 8.240 nan 0.000 0.461 8 V N 3.576 123.460 119.914 -0.050 0.000 2.686 8 V HA 0.524 4.645 4.120 0.003 0.000 0.306 8 V C -0.277 175.694 176.094 -0.205 0.000 1.065 8 V CA -0.973 61.258 62.300 -0.116 0.000 0.894 8 V CB 1.962 33.738 31.823 -0.079 0.000 1.004 8 V HN 1.117 nan 8.190 nan 0.000 0.424 9 M N 3.656 123.076 119.600 -0.299 0.000 2.188 9 M HA 0.667 5.149 4.480 0.003 0.000 0.357 9 M C -0.025 175.940 176.300 -0.559 0.000 1.204 9 M CA 0.705 55.744 55.300 -0.436 0.000 1.095 9 M CB 1.220 33.579 32.600 -0.402 0.000 1.604 9 M HN 0.866 nan 8.290 nan 0.000 0.464 10 S N 2.412 117.611 115.700 -0.834 0.000 2.929 10 S HA 0.980 5.452 4.470 0.003 0.000 0.311 10 S C -0.845 173.222 174.600 -0.888 0.000 1.213 10 S CA -0.198 57.563 58.200 -0.732 0.000 0.908 10 S CB 1.550 64.448 63.200 -0.503 0.000 1.287 10 S HN 0.976 nan 8.310 nan 0.000 0.594 11 G N 0.191 108.710 108.800 -0.469 0.000 2.663 11 G HA2 0.707 4.668 3.960 0.003 0.000 0.299 11 G HA3 0.707 4.668 3.960 0.003 0.000 0.299 11 G C -1.009 174.019 174.900 0.214 0.000 1.372 11 G CA 0.269 45.256 45.100 -0.188 0.000 0.781 11 G HN 1.685 nan 8.290 nan 0.000 0.491 12 S N -2.506 113.364 115.700 0.283 0.000 2.683 12 S HA 0.355 4.826 4.470 0.003 0.000 0.269 12 S C 0.064 174.822 174.600 0.264 0.000 1.165 12 S CA -0.507 57.915 58.200 0.370 0.000 0.840 12 S CB 0.974 64.646 63.200 0.787 0.000 1.169 12 S HN 0.567 nan 8.310 nan 0.000 0.490 13 H N -0.192 119.004 119.070 0.211 0.000 2.545 13 H HA 0.094 4.651 4.556 0.003 0.000 0.282 13 H C 0.513 175.779 175.328 -0.104 0.000 1.020 13 H CA 1.282 57.279 56.048 -0.085 0.000 1.243 13 H CB 0.029 29.559 29.762 -0.387 0.000 1.377 13 H HN 0.568 nan 8.280 nan 0.000 0.581 14 W N 0.548 122.048 121.300 0.333 0.000 3.114 14 W HA 0.357 5.018 4.660 0.002 0.000 0.279 14 W C 0.588 177.289 176.519 0.304 0.000 1.277 14 W CA 0.801 58.328 57.345 0.303 0.000 1.630 14 W CB 1.039 30.654 29.460 0.258 0.000 1.087 14 W HN 0.190 nan 8.180 nan 0.000 0.637 15 G N -0.020 109.039 108.800 0.431 0.000 2.361 15 G HA2 0.030 3.992 3.960 0.003 0.000 0.331 15 G HA3 0.030 3.992 3.960 0.003 0.000 0.331 15 G C -1.489 173.570 174.900 0.266 0.000 1.324 15 G CA -1.209 44.065 45.100 0.291 0.000 0.984 15 G HN -0.225 nan 8.290 nan 0.000 0.586 16 V N 0.794 120.786 119.914 0.131 0.000 2.649 16 V HA 0.741 4.863 4.120 0.003 0.000 0.292 16 V C 0.384 176.519 176.094 0.068 0.000 1.055 16 V CA 0.649 62.878 62.300 -0.118 0.000 1.023 16 V CB 0.259 31.776 31.823 -0.510 0.000 0.992 16 V HN 1.277 nan 8.190 nan 0.000 0.480 17 F N 1.019 120.886 119.950 -0.139 0.000 2.745 17 F HA 0.814 5.343 4.527 0.003 0.000 0.316 17 F C -0.556 175.125 175.800 -0.198 0.000 1.155 17 F CA -0.957 56.970 58.000 -0.122 0.000 0.937 17 F CB 1.690 40.570 39.000 -0.199 0.000 1.361 17 F HN 0.245 nan 8.300 nan 0.000 0.472 18 T N 1.378 115.966 114.554 0.056 0.000 2.824 18 T HA 0.772 5.123 4.350 0.003 0.000 0.282 18 T C -0.702 174.102 174.700 0.172 0.000 0.993 18 T CA -0.467 61.624 62.100 -0.015 0.000 0.967 18 T CB 1.427 70.299 68.868 0.007 0.000 0.960 18 T HN 0.932 nan 8.240 nan 0.000 0.441 19 A N 2.655 125.547 122.820 0.120 0.000 2.305 19 A HA 0.708 5.029 4.320 0.003 0.000 0.322 19 A C 0.366 178.040 177.584 0.151 0.000 1.187 19 A CA -0.620 51.563 52.037 0.244 0.000 0.825 19 A CB 0.501 19.675 19.000 0.290 0.000 1.164 19 A HN 0.701 nan 8.150 nan 0.000 0.498 20 T N 1.695 116.343 114.554 0.158 0.000 2.856 20 T HA 0.489 4.841 4.350 0.003 0.000 0.292 20 T C -0.373 174.377 174.700 0.084 0.000 0.980 20 T CA -0.049 62.102 62.100 0.086 0.000 1.091 20 T CB 0.818 69.720 68.868 0.056 0.000 0.936 20 T HN 0.429 nan 8.240 nan 0.000 0.503 21 V N 4.371 124.318 119.914 0.054 0.000 2.443 21 V HA 0.366 4.488 4.120 0.003 0.000 0.293 21 V C -0.359 175.746 176.094 0.019 0.000 1.021 21 V CA -0.810 61.518 62.300 0.048 0.000 0.848 21 V CB 1.642 33.498 31.823 0.056 0.000 0.998 21 V HN 0.875 nan 8.190 nan 0.000 0.424 22 E N 4.437 124.638 120.200 0.003 0.000 2.165 22 E HA 0.443 4.795 4.350 0.003 0.000 0.266 22 E C -0.542 176.049 176.600 -0.015 0.000 0.889 22 E CA -0.813 55.581 56.400 -0.011 0.000 0.756 22 E CB 1.132 30.818 29.700 -0.023 0.000 1.131 22 E HN 0.611 nan 8.360 nan 0.000 0.411 23 N N 2.272 120.966 118.700 -0.010 0.000 2.714 23 N HA -0.214 4.527 4.740 0.003 0.000 0.253 23 N C 0.717 176.224 175.510 -0.005 0.000 1.024 23 N CA 1.368 54.412 53.050 -0.010 0.000 0.726 23 N CB -1.231 37.245 38.487 -0.019 0.000 0.908 23 N HN 1.075 nan 8.380 nan 0.000 0.542 24 G N -1.001 107.803 108.800 0.007 0.000 2.189 24 G HA2 -0.381 3.580 3.960 0.003 0.000 0.267 24 G HA3 -0.381 3.580 3.960 0.003 0.000 0.267 24 G C 0.137 175.060 174.900 0.039 0.000 0.975 24 G CA 0.783 45.895 45.100 0.020 0.000 0.644 24 G HN 0.715 nan 8.290 nan 0.000 0.537 25 R N 0.326 120.838 120.500 0.020 0.000 2.494 25 R HA 0.675 5.017 4.340 0.003 0.000 0.305 25 R C 0.257 176.572 176.300 0.024 0.000 0.959 25 R CA -0.075 56.033 56.100 0.014 0.000 0.864 25 R CB 1.139 31.370 30.300 -0.114 0.000 1.159 25 R HN 0.530 nan 8.270 nan 0.000 0.446 26 A N 2.335 125.222 122.820 0.111 0.000 2.404 26 A HA 0.181 4.503 4.320 0.003 0.000 0.273 26 A C 0.932 178.500 177.584 -0.028 0.000 1.144 26 A CA -0.003 52.102 52.037 0.113 0.000 0.806 26 A CB 0.382 19.522 19.000 0.233 0.000 1.080 26 A HN 0.906 nan 8.150 nan 0.000 0.509 27 T N -1.033 113.502 114.554 -0.032 0.000 2.975 27 T HA 0.588 4.939 4.350 0.003 0.000 0.257 27 T C 0.319 174.970 174.700 -0.082 0.000 1.003 27 T CA 0.655 62.699 62.100 -0.094 0.000 0.932 27 T CB 0.041 68.863 68.868 -0.077 0.000 1.087 27 T HN 1.791 nan 8.240 nan 0.000 0.512 28 A N 0.672 123.487 122.820 -0.009 0.000 2.589 28 A HA 0.674 4.996 4.320 0.003 0.000 0.296 28 A C -2.079 175.644 177.584 0.231 0.000 1.062 28 A CA -0.726 51.319 52.037 0.013 0.000 0.686 28 A CB 1.035 20.049 19.000 0.024 0.000 1.282 28 A HN 0.165 nan 8.150 nan 0.000 0.404 29 F N 1.289 121.170 119.950 -0.115 0.000 2.460 29 F HA 0.594 5.123 4.527 0.003 0.000 0.341 29 F C 0.255 176.038 175.800 -0.028 0.000 1.130 29 F CA -0.701 57.216 58.000 -0.137 0.000 0.962 29 F CB 2.187 40.882 39.000 -0.509 0.000 1.171 29 F HN 0.444 nan 8.300 nan 0.000 0.436 30 T N 5.753 120.443 114.554 0.227 0.000 2.779 30 T HA 0.406 4.757 4.350 0.003 0.000 0.280 30 T C -2.586 172.236 174.700 0.204 0.000 0.987 30 T CA -1.653 60.542 62.100 0.159 0.000 0.966 30 T CB 1.649 70.587 68.868 0.116 0.000 0.933 30 T HN 0.104 nan 8.240 nan 0.000 0.442 31 P HA -0.053 nan 4.420 nan 0.000 0.264 31 P C -0.287 177.172 177.300 0.264 0.000 1.179 31 P CA -0.511 62.729 63.100 0.233 0.000 0.763 31 P CB 0.388 32.182 31.700 0.156 0.000 0.806 32 W N 4.306 125.651 121.300 0.076 0.000 2.314 32 W HA -0.041 4.620 4.660 0.002 0.000 0.339 32 W C 1.487 178.022 176.519 0.027 0.000 1.293 32 W CA -0.245 57.114 57.345 0.024 0.000 1.288 32 W CB -0.146 29.325 29.460 0.018 0.000 1.186 32 W HN 0.619 nan 8.180 nan 0.000 0.566 33 E N 2.819 122.997 120.200 -0.038 0.000 2.347 33 E HA -0.187 4.164 4.350 0.003 0.000 0.196 33 E C 1.092 177.430 176.600 -0.436 0.000 1.008 33 E CA 1.261 57.551 56.400 -0.184 0.000 0.852 33 E CB -0.069 29.562 29.700 -0.114 0.000 0.783 33 E HN 0.557 nan 8.360 nan 0.000 0.505 34 K N 0.755 120.529 120.400 -1.044 0.000 2.444 34 K HA 0.024 4.345 4.320 0.003 0.000 0.193 34 K C 0.211 176.378 176.600 -0.723 0.000 1.024 34 K CA 0.005 55.637 56.287 -1.092 0.000 1.077 34 K CB 0.226 31.625 32.500 -1.836 0.000 0.833 34 K HN 0.078 nan 8.250 nan 0.000 0.517 35 D N 1.894 122.079 120.400 -0.358 0.000 2.371 35 D HA 0.003 4.645 4.640 0.003 0.000 0.256 35 D C -1.464 174.854 176.300 0.030 0.000 1.193 35 D CA -1.740 52.292 54.000 0.053 0.000 0.881 35 D CB 1.388 42.370 40.800 0.302 0.000 1.143 35 D HN -0.003 nan 8.370 nan 0.000 0.473 36 P HA -0.069 nan 4.420 nan 0.000 0.229 36 P C -0.168 177.182 177.300 0.083 0.000 1.160 36 P CA 0.753 63.895 63.100 0.071 0.000 0.777 36 P CB 0.277 32.047 31.700 0.117 0.000 0.814 37 H N -1.370 117.647 119.070 -0.089 0.000 2.888 37 H HA 0.309 4.866 4.556 0.002 0.000 0.280 37 H C -2.867 172.146 175.328 -0.525 0.000 1.431 37 H CA -1.484 54.340 56.048 -0.373 0.000 1.573 37 H CB 0.557 29.883 29.762 -0.727 0.000 1.924 37 H HN -0.137 nan 8.280 nan 0.000 0.645 38 P HA 0.033 nan 4.420 nan 0.000 0.269 38 P C -0.284 176.899 177.300 -0.195 0.000 1.215 38 P CA -0.112 62.920 63.100 -0.114 0.000 0.780 38 P CB 1.232 32.926 31.700 -0.010 0.000 0.898 39 S N 2.180 117.877 115.700 -0.005 0.000 2.499 39 S HA 0.355 4.827 4.470 0.003 0.000 0.279 39 S C -1.581 173.056 174.600 0.061 0.000 1.219 39 S CA -1.631 56.602 58.200 0.054 0.000 1.062 39 S CB 0.047 63.405 63.200 0.263 0.000 0.978 39 S HN 0.190 nan 8.310 nan 0.000 0.489 40 P HA -0.047 nan 4.420 nan 0.000 0.221 40 P C 1.135 178.446 177.300 0.018 0.000 1.145 40 P CA 1.164 64.282 63.100 0.029 0.000 0.795 40 P CB 0.006 31.739 31.700 0.055 0.000 0.775 41 M N -1.644 117.983 119.600 0.044 0.000 2.632 41 M HA -0.077 4.405 4.480 0.003 0.000 0.256 41 M C 1.794 177.922 176.300 -0.286 0.000 1.080 41 M CA 0.982 56.232 55.300 -0.083 0.000 1.084 41 M CB -0.675 31.911 32.600 -0.023 0.000 1.439 41 M HN 0.001 nan 8.290 nan 0.000 0.509 42 L N -0.009 121.108 121.223 -0.177 0.000 2.127 42 L HA -0.209 4.132 4.340 0.003 0.000 0.211 42 L C 2.680 179.395 176.870 -0.258 0.000 1.089 42 L CA 1.121 55.838 54.840 -0.205 0.000 0.757 42 L CB -0.546 41.484 42.059 -0.048 0.000 0.899 42 L HN 0.337 nan 8.230 nan 0.000 0.434 43 A N -0.412 122.279 122.820 -0.214 0.000 2.015 43 A HA -0.065 4.256 4.320 0.003 0.000 0.219 43 A C 2.285 179.697 177.584 -0.288 0.000 1.163 43 A CA 1.410 53.300 52.037 -0.245 0.000 0.646 43 A CB -0.753 18.148 19.000 -0.165 0.000 0.806 43 A HN 0.457 nan 8.150 nan 0.000 0.448 44 G N -0.671 107.964 108.800 -0.275 0.000 2.430 44 G HA2 0.034 3.996 3.960 0.003 0.000 0.216 44 G HA3 0.034 3.996 3.960 0.003 0.000 0.216 44 G C 1.421 176.140 174.900 -0.303 0.000 1.146 44 G CA 0.982 45.933 45.100 -0.248 0.000 0.793 44 G HN 0.272 nan 8.290 nan 0.000 0.537 45 V N 1.155 120.798 119.914 -0.452 0.000 2.287 45 V HA -0.185 3.936 4.120 0.003 0.000 0.248 45 V C 2.672 178.519 176.094 -0.412 0.000 1.053 45 V CA 1.768 63.811 62.300 -0.428 0.000 1.027 45 V CB -0.628 30.900 31.823 -0.491 0.000 0.646 45 V HN 0.383 nan 8.190 nan 0.000 0.447 46 L N 0.910 121.690 121.223 -0.738 0.000 2.017 46 L HA -0.193 4.148 4.340 0.003 0.000 0.208 46 L C 2.094 178.741 176.870 -0.373 0.000 1.073 46 L CA 2.595 56.847 54.840 -0.979 0.000 0.745 46 L CB -1.024 40.204 42.059 -1.384 0.000 0.894 46 L HN 0.398 nan 8.230 nan 0.000 0.432 47 D N -0.941 119.301 120.400 -0.264 0.000 2.182 47 D HA -0.201 4.441 4.640 0.003 0.000 0.201 47 D C 2.298 178.595 176.300 -0.004 0.000 0.986 47 D CA 1.295 55.242 54.000 -0.088 0.000 0.847 47 D CB -0.073 40.661 40.800 -0.110 0.000 0.942 47 D HN 0.614 nan 8.370 nan 0.000 0.467 48 S N -0.632 115.058 115.700 -0.017 0.000 2.469 48 S HA -0.127 4.344 4.470 0.003 0.000 0.238 48 S C 2.109 176.765 174.600 0.093 0.000 0.998 48 S CA 0.533 58.803 58.200 0.115 0.000 0.957 48 S CB -0.673 62.671 63.200 0.241 0.000 0.764 48 S HN 0.393 nan 8.310 nan 0.000 0.514 49 I N -0.675 119.843 120.570 -0.087 0.000 2.439 49 I HA -0.071 4.100 4.170 0.003 0.000 0.251 49 I C 1.346 177.161 176.117 -0.503 0.000 1.139 49 I CA 1.175 62.265 61.300 -0.350 0.000 1.438 49 I CB -0.213 37.429 38.000 -0.596 0.000 1.085 49 I HN 0.305 nan 8.210 nan 0.000 0.427 50 Y N -0.199 120.123 120.300 0.037 0.000 2.527 50 Y HA 0.226 4.777 4.550 0.002 0.000 0.247 50 Y C 1.527 177.482 175.900 0.092 0.000 1.138 50 Y CA -0.627 57.511 58.100 0.064 0.000 1.228 50 Y CB -0.080 38.381 38.460 0.002 0.000 1.252 50 Y HN -0.033 nan 8.280 nan 0.000 0.531 51 S N 0.770 116.590 115.700 0.200 0.000 2.589 51 S HA 0.100 4.572 4.470 0.003 0.000 0.265 51 S C -1.656 173.051 174.600 0.179 0.000 1.342 51 S CA -0.968 57.329 58.200 0.163 0.000 1.005 51 S CB 1.029 64.304 63.200 0.125 0.000 0.909 51 S HN -0.042 nan 8.310 nan 0.000 0.555 52 P HA -0.026 nan 4.420 nan 0.000 0.223 52 P C 0.960 178.371 177.300 0.184 0.000 1.144 52 P CA 1.202 64.381 63.100 0.132 0.000 0.783 52 P CB -0.447 31.310 31.700 0.094 0.000 0.771 53 T N -4.418 110.295 114.554 0.265 0.000 3.163 53 T HA 0.189 4.540 4.350 0.003 0.000 0.252 53 T C 0.705 175.638 174.700 0.388 0.000 1.056 53 T CA -0.481 61.858 62.100 0.397 0.000 0.947 53 T CB -0.339 68.843 68.868 0.524 0.000 1.016 53 T HN -0.130 nan 8.240 nan 0.000 0.554 54 R N 2.005 122.668 120.500 0.272 0.000 2.522 54 R HA 0.296 4.638 4.340 0.003 0.000 0.284 54 R C -0.408 175.944 176.300 0.087 0.000 1.032 54 R CA -0.648 55.572 56.100 0.201 0.000 1.049 54 R CB -0.545 29.886 30.300 0.219 0.000 0.956 54 R HN 0.400 nan 8.270 nan 0.000 0.422 55 I N 6.169 126.673 120.570 -0.109 0.000 2.436 55 I HA 0.016 4.187 4.170 0.003 0.000 0.289 55 I C 1.136 177.128 176.117 -0.209 0.000 1.083 55 I CA 0.147 61.263 61.300 -0.307 0.000 1.372 55 I CB 1.110 38.687 38.000 -0.705 0.000 1.408 55 I HN 0.690 nan 8.210 nan 0.000 0.516 56 K N 5.095 125.291 120.400 -0.340 0.000 2.067 56 K HA 0.067 4.388 4.320 0.003 0.000 0.203 56 K C -0.509 175.695 176.600 -0.659 0.000 1.048 56 K CA 1.039 56.900 56.287 -0.710 0.000 0.954 56 K CB 0.197 31.829 32.500 -1.447 0.000 0.737 56 K HN 0.385 nan 8.250 nan 0.000 0.444 57 Y N -0.294 119.952 120.300 -0.089 0.000 2.576 57 Y HA 0.325 4.877 4.550 0.003 0.000 0.346 57 Y C -2.571 173.142 175.900 -0.312 0.000 1.018 57 Y CA -3.759 54.244 58.100 -0.162 0.000 1.050 57 Y CB 0.360 38.746 38.460 -0.124 0.000 1.280 57 Y HN -0.153 nan 8.280 nan 0.000 0.474 58 P HA 0.144 nan 4.420 nan 0.000 0.268 58 P C -0.746 176.412 177.300 -0.236 0.000 1.204 58 P CA 0.375 63.150 63.100 -0.542 0.000 0.768 58 P CB 0.384 31.512 31.700 -0.954 0.000 0.842 59 M N 2.166 121.661 119.600 -0.175 0.000 2.501 59 M HA 0.444 4.926 4.480 0.003 0.000 0.293 59 M C -1.040 175.310 176.300 0.084 0.000 1.192 59 M CA -0.927 54.361 55.300 -0.019 0.000 0.886 59 M CB 2.088 34.669 32.600 -0.032 0.000 1.710 59 M HN -0.057 nan 8.290 nan 0.000 0.457 60 V N 1.592 121.625 119.914 0.198 0.000 2.588 60 V HA 0.483 4.604 4.120 0.003 0.000 0.304 60 V C 0.125 176.374 176.094 0.258 0.000 1.042 60 V CA -0.912 61.513 62.300 0.208 0.000 0.877 60 V CB 2.263 34.176 31.823 0.151 0.000 0.996 60 V HN 0.847 nan 8.190 nan 0.000 0.425 61 R N 2.470 123.066 120.500 0.159 0.000 2.538 61 R HA 0.066 4.407 4.340 0.003 0.000 0.282 61 R C 1.674 177.968 176.300 -0.009 0.000 1.009 61 R CA 0.193 56.210 56.100 -0.139 0.000 1.063 61 R CB 0.364 30.552 30.300 -0.187 0.000 0.945 61 R HN 0.753 nan 8.270 nan 0.000 0.414 62 R N 3.055 123.513 120.500 -0.070 0.000 2.094 62 R HA -0.248 4.094 4.340 0.003 0.000 0.239 62 R C 1.042 177.345 176.300 0.005 0.000 1.137 62 R CA 2.436 58.525 56.100 -0.019 0.000 0.943 62 R CB -0.024 30.249 30.300 -0.045 0.000 0.850 62 R HN 0.705 nan 8.270 nan 0.000 0.433 63 E N -0.060 120.136 120.200 -0.006 0.000 2.070 63 E HA -0.217 4.134 4.350 0.003 0.000 0.197 63 E C 1.615 178.253 176.600 0.063 0.000 1.004 63 E CA 1.771 58.182 56.400 0.018 0.000 0.805 63 E CB -0.440 29.267 29.700 0.013 0.000 0.744 63 E HN 0.403 nan 8.360 nan 0.000 0.451 64 F N 0.504 120.440 119.950 -0.024 0.000 2.146 64 F HA -0.057 4.472 4.527 0.003 0.000 0.298 64 F C 1.967 177.772 175.800 0.008 0.000 1.096 64 F CA 0.961 58.963 58.000 0.005 0.000 1.275 64 F CB -0.068 38.943 39.000 0.019 0.000 1.008 64 F HN -0.006 nan 8.300 nan 0.000 0.480 65 L N 0.051 121.363 121.223 0.149 0.000 2.012 65 L HA -0.251 4.091 4.340 0.003 0.000 0.210 65 L C 2.263 179.101 176.870 -0.053 0.000 1.073 65 L CA 2.031 56.902 54.840 0.052 0.000 0.748 65 L CB -0.445 41.658 42.059 0.074 0.000 0.891 65 L HN 0.230 nan 8.230 nan 0.000 0.431 66 E N -0.348 119.827 120.200 -0.042 0.000 2.028 66 E HA -0.207 4.144 4.350 0.003 0.000 0.190 66 E C 1.432 177.977 176.600 -0.092 0.000 0.984 66 E CA 1.246 57.613 56.400 -0.055 0.000 0.800 66 E CB 0.175 29.855 29.700 -0.033 0.000 0.758 66 E HN 0.387 nan 8.360 nan 0.000 0.448 67 K N -0.488 119.841 120.400 -0.118 0.000 2.413 67 K HA 0.203 4.525 4.320 0.003 0.000 0.204 67 K C 0.674 177.146 176.600 -0.214 0.000 1.041 67 K CA 0.215 56.426 56.287 -0.127 0.000 1.082 67 K CB 1.507 33.965 32.500 -0.068 0.000 0.871 67 K HN 0.201 nan 8.250 nan 0.000 0.535 68 G N 1.580 110.110 108.800 -0.451 0.000 2.684 68 G HA2 -0.451 3.511 3.960 0.003 0.000 0.332 68 G HA3 -0.451 3.511 3.960 0.003 0.000 0.332 68 G C 1.173 175.885 174.900 -0.313 0.000 1.306 68 G CA 1.380 46.035 45.100 -0.741 0.000 1.002 68 G HN 0.261 nan 8.290 nan 0.000 0.545 69 V N -1.325 118.518 119.914 -0.119 0.000 2.828 69 V HA -0.069 4.052 4.120 0.003 0.000 0.260 69 V C 1.847 177.957 176.094 0.027 0.000 1.101 69 V CA 2.694 65.014 62.300 0.034 0.000 1.123 69 V CB -0.450 31.412 31.823 0.065 0.000 0.704 69 V HN 0.577 nan 8.190 nan 0.000 0.493 70 N N 1.178 119.870 118.700 -0.013 0.000 2.314 70 N HA 0.384 5.126 4.740 0.003 0.000 0.200 70 N C 0.718 176.233 175.510 0.008 0.000 1.135 70 N CA 0.707 53.758 53.050 0.002 0.000 0.835 70 N CB 0.560 39.040 38.487 -0.012 0.000 0.989 70 N HN 0.688 nan 8.380 nan 0.000 0.478 71 A N 0.752 123.586 122.820 0.023 0.000 2.406 71 A HA 0.047 4.368 4.320 0.003 0.000 0.243 71 A C 0.259 177.875 177.584 0.054 0.000 1.082 71 A CA -0.197 51.865 52.037 0.043 0.000 0.786 71 A CB 0.252 19.319 19.000 0.110 0.000 1.029 71 A HN 0.143 nan 8.150 nan 0.000 0.495 72 D N -0.052 120.372 120.400 0.041 0.000 2.325 72 D HA 0.210 4.851 4.640 0.003 0.000 0.251 72 D C 0.874 177.209 176.300 0.058 0.000 1.196 72 D CA 0.019 54.042 54.000 0.040 0.000 0.866 72 D CB 0.490 41.303 40.800 0.021 0.000 1.101 72 D HN 0.439 nan 8.370 nan 0.000 0.476 73 R N 1.681 122.226 120.500 0.075 0.000 2.310 73 R HA 0.026 4.368 4.340 0.003 0.000 0.202 73 R C 1.769 178.127 176.300 0.097 0.000 0.933 73 R CA 0.466 56.627 56.100 0.102 0.000 1.054 73 R CB 0.161 30.534 30.300 0.122 0.000 0.985 73 R HN 0.443 nan 8.270 nan 0.000 0.489 74 S N -0.244 115.498 115.700 0.069 0.000 2.522 74 S HA -0.079 4.393 4.470 0.003 0.000 0.227 74 S C 1.661 176.289 174.600 0.047 0.000 0.986 74 S CA 0.945 59.186 58.200 0.068 0.000 0.929 74 S CB -0.082 63.148 63.200 0.051 0.000 0.769 74 S HN 0.301 nan 8.310 nan 0.000 0.529 75 T N -0.901 113.663 114.554 0.017 0.000 3.122 75 T HA 0.317 4.668 4.350 0.003 0.000 0.250 75 T C 0.492 175.143 174.700 -0.081 0.000 1.067 75 T CA -0.641 61.439 62.100 -0.033 0.000 0.966 75 T CB -0.278 68.560 68.868 -0.049 0.000 1.002 75 T HN 0.223 nan 8.240 nan 0.000 0.542 76 R N 0.931 121.412 120.500 -0.031 0.000 2.585 76 R HA 0.378 4.720 4.340 0.003 0.000 0.275 76 R C 1.517 177.639 176.300 -0.296 0.000 1.018 76 R CA 1.282 57.331 56.100 -0.086 0.000 1.072 76 R CB -0.039 30.319 30.300 0.096 0.000 0.953 76 R HN 0.528 nan 8.270 nan 0.000 0.419 77 G N 2.159 110.663 108.800 -0.493 0.000 2.194 77 G HA2 -0.310 3.652 3.960 0.003 0.000 0.236 77 G HA3 -0.310 3.652 3.960 0.003 0.000 0.236 77 G C 0.560 175.217 174.900 -0.405 0.000 0.987 77 G CA 0.319 44.941 45.100 -0.798 0.000 0.635 77 G HN 0.738 nan 8.290 nan 0.000 0.520 78 N N 1.060 119.584 118.700 -0.293 0.000 2.467 78 N HA 0.351 5.092 4.740 0.003 0.000 0.184 78 N C 1.770 177.162 175.510 -0.198 0.000 1.106 78 N CA 1.364 54.289 53.050 -0.209 0.000 0.892 78 N CB -0.363 38.027 38.487 -0.162 0.000 0.969 78 N HN 1.760 nan 8.380 nan 0.000 0.454 79 G N -0.039 108.629 108.800 -0.221 0.000 2.157 79 G HA2 -0.285 3.677 3.960 0.003 0.000 0.248 79 G HA3 -0.285 3.677 3.960 0.003 0.000 0.248 79 G C -0.439 174.394 174.900 -0.112 0.000 0.979 79 G CA 0.199 45.249 45.100 -0.084 0.000 0.650 79 G HN 0.594 nan 8.290 nan 0.000 0.529 80 D N 0.599 120.813 120.400 -0.310 0.000 2.517 80 D HA 0.519 5.161 4.640 0.003 0.000 0.220 80 D C 0.183 176.293 176.300 -0.316 0.000 1.158 80 D CA -0.355 53.510 54.000 -0.225 0.000 0.992 80 D CB -0.565 40.127 40.800 -0.180 0.000 1.058 80 D HN 0.133 nan 8.370 nan 0.000 0.516 81 F N 1.186 121.094 119.950 -0.070 0.000 2.450 81 F HA 0.527 5.056 4.527 0.003 0.000 0.328 81 F C 0.395 176.178 175.800 -0.029 0.000 1.068 81 F CA -0.941 57.039 58.000 -0.034 0.000 1.007 81 F CB 1.560 40.545 39.000 -0.026 0.000 1.251 81 F HN -0.126 nan 8.300 nan 0.000 0.492 82 V N 1.896 121.932 119.914 0.204 0.000 2.588 82 V HA 0.427 4.548 4.120 0.003 0.000 0.304 82 V C -0.283 175.852 176.094 0.069 0.000 1.042 82 V CA -1.141 61.215 62.300 0.092 0.000 0.877 82 V CB 1.786 33.641 31.823 0.053 0.000 0.996 82 V HN 0.631 nan 8.190 nan 0.000 0.425 83 R N 3.167 123.670 120.500 0.004 0.000 2.389 83 R HA 0.610 4.951 4.340 0.003 0.000 0.295 83 R C -0.606 175.653 176.300 -0.069 0.000 1.075 83 R CA -0.133 55.935 56.100 -0.054 0.000 1.005 83 R CB 1.097 31.304 30.300 -0.154 0.000 0.987 83 R HN 0.708 nan 8.270 nan 0.000 0.452 84 V N 0.660 120.523 119.914 -0.085 0.000 3.102 84 V HA 0.611 4.732 4.120 0.003 0.000 0.312 84 V C -0.168 175.865 176.094 -0.102 0.000 1.135 84 V CA -1.001 61.256 62.300 -0.072 0.000 1.022 84 V CB 1.790 33.588 31.823 -0.042 0.000 1.056 84 V HN 0.911 nan 8.190 nan 0.000 0.436 85 S N 0.080 115.752 115.700 -0.047 0.000 2.614 85 S HA 0.272 4.744 4.470 0.003 0.000 0.265 85 S C 0.433 175.043 174.600 0.017 0.000 1.303 85 S CA -0.103 58.096 58.200 -0.002 0.000 1.000 85 S CB 0.468 63.703 63.200 0.059 0.000 0.935 85 S HN 0.910 nan 8.310 nan 0.000 0.551 86 W N 0.583 121.897 121.300 0.023 0.000 2.338 86 W HA -0.121 4.540 4.660 0.003 0.000 0.304 86 W C 1.790 178.314 176.519 0.009 0.000 1.212 86 W CA 1.273 58.624 57.345 0.011 0.000 1.264 86 W CB -0.221 29.244 29.460 0.008 0.000 1.142 86 W HN 0.722 nan 8.180 nan 0.000 0.512 87 D N -0.558 119.998 120.400 0.260 0.000 2.117 87 D HA -0.192 4.450 4.640 0.003 0.000 0.197 87 D C 1.923 178.296 176.300 0.121 0.000 0.987 87 D CA 1.426 55.524 54.000 0.162 0.000 0.829 87 D CB -0.580 40.286 40.800 0.110 0.000 0.961 87 D HN 0.332 nan 8.370 nan 0.000 0.460 88 Q N 0.396 120.252 119.800 0.094 0.000 2.050 88 Q HA -0.057 4.284 4.340 0.003 0.000 0.202 88 Q C 2.228 178.271 176.000 0.072 0.000 0.980 88 Q CA 1.595 57.438 55.803 0.067 0.000 0.840 88 Q CB -0.130 28.632 28.738 0.040 0.000 0.898 88 Q HN 0.220 nan 8.270 nan 0.000 0.424 89 A N 0.496 123.349 122.820 0.055 0.000 1.933 89 A HA -0.147 4.175 4.320 0.003 0.000 0.218 89 A C 2.042 179.693 177.584 0.112 0.000 1.175 89 A CA 1.079 53.139 52.037 0.039 0.000 0.628 89 A CB -0.642 18.301 19.000 -0.095 0.000 0.814 89 A HN 0.298 nan 8.150 nan 0.000 0.444 90 L N -0.574 120.757 121.223 0.181 0.000 2.056 90 L HA -0.183 4.159 4.340 0.003 0.000 0.207 90 L C 2.089 179.036 176.870 0.128 0.000 1.078 90 L CA 1.388 56.335 54.840 0.178 0.000 0.749 90 L CB -0.634 41.534 42.059 0.183 0.000 0.901 90 L HN 0.273 nan 8.230 nan 0.000 0.433 91 D N -0.019 120.447 120.400 0.110 0.000 2.117 91 D HA -0.184 4.457 4.640 0.003 0.000 0.197 91 D C 2.040 178.399 176.300 0.100 0.000 0.987 91 D CA 1.088 55.144 54.000 0.092 0.000 0.829 91 D CB -0.126 40.721 40.800 0.077 0.000 0.961 91 D HN 0.123 nan 8.370 nan 0.000 0.460 92 L N 0.339 121.626 121.223 0.107 0.000 2.056 92 L HA -0.102 4.240 4.340 0.003 0.000 0.207 92 L C 2.163 179.118 176.870 0.142 0.000 1.078 92 L CA 1.212 56.129 54.840 0.128 0.000 0.749 92 L CB -0.380 41.758 42.059 0.133 0.000 0.901 92 L HN -0.129 nan 8.230 nan 0.000 0.433 93 V N 0.126 120.117 119.914 0.128 0.000 2.295 93 V HA -0.288 3.833 4.120 0.003 0.000 0.246 93 V C 2.814 179.009 176.094 0.168 0.000 1.049 93 V CA 1.663 64.046 62.300 0.139 0.000 1.024 93 V CB -1.340 30.581 31.823 0.163 0.000 0.648 93 V HN 0.603 nan 8.190 nan 0.000 0.447 94 A N 0.025 122.935 122.820 0.150 0.000 1.883 94 A HA -0.195 4.126 4.320 0.003 0.000 0.217 94 A C 2.427 180.082 177.584 0.119 0.000 1.186 94 A CA 2.397 54.512 52.037 0.130 0.000 0.624 94 A CB -0.888 18.172 19.000 0.100 0.000 0.822 94 A HN 0.597 nan 8.150 nan 0.000 0.444 95 A N -0.791 122.097 122.820 0.113 0.000 1.902 95 A HA -0.149 4.172 4.320 0.003 0.000 0.217 95 A C 2.003 179.661 177.584 0.124 0.000 1.181 95 A CA 1.748 53.847 52.037 0.104 0.000 0.623 95 A CB -0.405 18.651 19.000 0.094 0.000 0.818 95 A HN 0.460 nan 8.150 nan 0.000 0.443 96 E N -0.230 120.063 120.200 0.155 0.000 2.072 96 E HA -0.081 4.271 4.350 0.003 0.000 0.190 96 E C 2.250 178.956 176.600 0.176 0.000 0.982 96 E CA 1.092 57.601 56.400 0.182 0.000 0.803 96 E CB -0.591 29.241 29.700 0.220 0.000 0.755 96 E HN 0.349 nan 8.360 nan 0.000 0.453 97 V N 1.581 121.602 119.914 0.179 0.000 2.287 97 V HA -0.288 3.834 4.120 0.003 0.000 0.248 97 V C 2.473 178.656 176.094 0.147 0.000 1.053 97 V CA 1.990 64.399 62.300 0.183 0.000 1.027 97 V CB -0.397 31.545 31.823 0.198 0.000 0.646 97 V HN 0.139 nan 8.190 nan 0.000 0.447 98 K N 0.296 120.769 120.400 0.122 0.000 2.002 98 K HA -0.183 4.139 4.320 0.003 0.000 0.209 98 K C 2.321 178.976 176.600 0.091 0.000 1.048 98 K CA 1.694 58.038 56.287 0.095 0.000 0.930 98 K CB -0.509 32.037 32.500 0.077 0.000 0.714 98 K HN 0.279 nan 8.250 nan 0.000 0.438 99 R N -0.082 120.476 120.500 0.098 0.000 2.094 99 R HA -0.153 4.189 4.340 0.003 0.000 0.239 99 R C 1.995 178.359 176.300 0.106 0.000 1.137 99 R CA 2.077 58.228 56.100 0.085 0.000 0.943 99 R CB -0.468 29.892 30.300 0.099 0.000 0.850 99 R HN 0.107 nan 8.270 nan 0.000 0.433 100 V N 1.466 121.489 119.914 0.181 0.000 2.295 100 V HA -0.201 3.921 4.120 0.003 0.000 0.246 100 V C 2.336 178.562 176.094 0.220 0.000 1.049 100 V CA 1.834 64.304 62.300 0.283 0.000 1.024 100 V CB -0.488 31.502 31.823 0.278 0.000 0.648 100 V HN 0.373 nan 8.190 nan 0.000 0.447 101 E N 0.038 120.332 120.200 0.156 0.000 2.085 101 E HA -0.210 4.142 4.350 0.003 0.000 0.194 101 E C 2.240 178.888 176.600 0.079 0.000 0.994 101 E CA 1.258 57.731 56.400 0.121 0.000 0.801 101 E CB -0.162 29.600 29.700 0.104 0.000 0.743 101 E HN 0.642 nan 8.360 nan 0.000 0.453 102 E N -0.085 120.143 120.200 0.047 0.000 2.122 102 E HA -0.024 4.327 4.350 0.003 0.000 0.190 102 E C 2.142 178.708 176.600 -0.057 0.000 0.977 102 E CA 0.762 57.165 56.400 0.005 0.000 0.820 102 E CB -0.306 29.394 29.700 -0.001 0.000 0.770 102 E HN 0.197 nan 8.360 nan 0.000 0.462 103 T N 0.460 114.934 114.554 -0.134 0.000 2.770 103 T HA -0.095 4.257 4.350 0.003 0.000 0.263 103 T C 1.293 175.755 174.700 -0.396 0.000 1.039 103 T CA 1.185 63.061 62.100 -0.374 0.000 1.142 103 T CB -0.235 68.186 68.868 -0.745 0.000 0.868 103 T HN 0.171 nan 8.240 nan 0.000 0.435 104 Y N 0.731 121.057 120.300 0.043 0.000 2.444 104 Y HA 0.477 5.029 4.550 0.002 0.000 0.249 104 Y C 1.561 177.486 175.900 0.041 0.000 1.134 104 Y CA -0.324 57.801 58.100 0.041 0.000 1.261 104 Y CB -0.049 38.439 38.460 0.046 0.000 1.143 104 Y HN 0.397 nan 8.280 nan 0.000 0.523 105 G N 1.315 110.208 108.800 0.155 0.000 2.782 105 G HA2 -0.234 3.727 3.960 0.003 0.000 0.228 105 G HA3 -0.234 3.727 3.960 0.003 0.000 0.228 105 G C -1.923 173.052 174.900 0.125 0.000 1.372 105 G CA -0.450 44.718 45.100 0.113 0.000 0.862 105 G HN 0.058 nan 8.290 nan 0.000 0.547 106 P HA -0.018 nan 4.420 nan 0.000 0.219 106 P C 1.279 178.627 177.300 0.080 0.000 1.146 106 P CA 1.810 64.954 63.100 0.074 0.000 0.808 106 P CB -0.077 31.634 31.700 0.018 0.000 0.779 107 E N -0.497 119.751 120.200 0.081 0.000 2.409 107 E HA -0.011 4.340 4.350 0.003 0.000 0.198 107 E C 2.101 178.756 176.600 0.091 0.000 1.024 107 E CA 1.119 57.570 56.400 0.084 0.000 0.861 107 E CB -1.191 28.555 29.700 0.077 0.000 0.788 107 E HN 0.289 nan 8.360 nan 0.000 0.521 108 G N 0.184 109.052 108.800 0.114 0.000 2.880 108 G HA2 0.071 4.032 3.960 0.003 0.000 0.209 108 G HA3 0.071 4.032 3.960 0.003 0.000 0.209 108 G C 0.107 175.062 174.900 0.092 0.000 1.157 108 G CA -0.175 44.968 45.100 0.071 0.000 0.779 108 G HN 0.082 nan 8.290 nan 0.000 0.539 109 V N 1.286 121.288 119.914 0.146 0.000 2.357 109 V HA 0.407 4.528 4.120 0.003 0.000 0.284 109 V C -0.980 175.251 176.094 0.228 0.000 1.018 109 V CA -1.199 61.209 62.300 0.181 0.000 0.841 109 V CB 1.242 33.180 31.823 0.191 0.000 0.991 109 V HN 0.174 nan 8.190 nan 0.000 0.437 110 F N 3.943 123.925 119.950 0.054 0.000 2.424 110 F HA 0.670 5.199 4.527 0.003 0.000 0.356 110 F C 0.997 176.801 175.800 0.006 0.000 1.110 110 F CA -0.434 57.581 58.000 0.025 0.000 1.161 110 F CB 1.400 40.379 39.000 -0.035 0.000 1.115 110 F HN 0.516 nan 8.300 nan 0.000 0.507 111 G N 3.470 111.937 108.800 -0.557 0.000 3.839 111 G HA2 0.183 4.145 3.960 0.003 0.000 0.286 111 G HA3 0.183 4.145 3.960 0.003 0.000 0.286 111 G C 1.172 175.565 174.900 -0.846 0.000 1.005 111 G CA 0.219 44.946 45.100 -0.621 0.000 0.824 111 G HN 0.983 nan 8.290 nan 0.000 0.489 112 G N 0.425 108.418 108.800 -1.344 0.000 2.422 112 G HA2 -0.047 3.914 3.960 0.003 0.000 0.218 112 G HA3 -0.047 3.914 3.960 0.003 0.000 0.218 112 G C 1.076 175.577 174.900 -0.665 0.000 1.146 112 G CA 1.190 45.778 45.100 -0.852 0.000 0.769 112 G HN 0.958 nan 8.290 nan 0.000 0.547 113 S N -1.085 113.973 115.700 -1.070 0.000 3.378 113 S HA -0.265 4.206 4.470 0.003 0.000 0.365 113 S C 0.223 174.631 174.600 -0.320 0.000 0.951 113 S CA 0.110 57.618 58.200 -1.154 0.000 1.274 113 S CB -1.621 61.184 63.200 -0.658 0.000 0.915 113 S HN 0.553 nan 8.310 nan 0.000 0.513 114 Y N 1.067 121.378 120.300 0.018 0.000 2.610 114 Y HA 0.432 4.984 4.550 0.003 0.000 0.332 114 Y C 0.909 177.151 175.900 0.570 0.000 1.201 114 Y CA 1.642 59.964 58.100 0.371 0.000 1.465 114 Y CB 0.406 39.169 38.460 0.505 0.000 1.283 114 Y HN 0.671 nan 8.280 nan 0.000 0.563 115 G N 3.872 112.523 108.800 -0.249 0.000 2.361 115 G HA2 -0.030 3.932 3.960 0.003 0.000 0.299 115 G HA3 -0.030 3.932 3.960 0.003 0.000 0.299 115 G C -1.140 173.811 174.900 0.085 0.000 1.544 115 G CA -0.951 44.193 45.100 0.073 0.000 0.860 115 G HN 0.686 nan 8.290 nan 0.000 0.610 116 W N 2.051 123.428 121.300 0.128 0.000 2.800 116 W HA 0.149 4.811 4.660 0.003 0.000 0.249 116 W C 2.206 178.821 176.519 0.160 0.000 1.294 116 W CA 0.923 58.399 57.345 0.219 0.000 1.402 116 W CB 0.132 29.734 29.460 0.236 0.000 1.126 116 W HN 1.077 nan 8.180 nan 0.000 0.652 117 K N -0.673 119.897 120.400 0.284 0.000 2.247 117 K HA -0.334 3.988 4.320 0.003 0.000 0.110 117 K C 0.127 176.887 176.600 0.267 0.000 1.338 117 K CA 1.423 57.835 56.287 0.207 0.000 0.620 117 K CB -1.806 30.734 32.500 0.067 0.000 0.492 117 K HN -0.078 nan 8.250 nan 0.000 1.013 118 S N 1.532 117.264 115.700 0.054 0.000 2.569 118 S HA 0.554 5.025 4.470 0.003 0.000 0.280 118 S C -2.748 171.605 174.600 -0.410 0.000 1.111 118 S CA -1.129 56.976 58.200 -0.158 0.000 0.887 118 S CB 2.248 65.446 63.200 -0.003 0.000 1.095 118 S HN 0.506 nan 8.310 nan 0.000 0.476 119 P HA 0.526 nan 4.420 nan 0.000 0.273 119 P C -0.222 176.923 177.300 -0.258 0.000 1.250 119 P CA 0.046 62.848 63.100 -0.497 0.000 0.793 119 P CB 0.248 31.672 31.700 -0.460 0.000 1.011 120 G N 0.037 108.717 108.800 -0.199 0.000 2.542 120 G HA2 0.030 3.992 3.960 0.003 0.000 0.391 120 G HA3 0.030 3.992 3.960 0.003 0.000 0.391 120 G C 0.102 174.948 174.900 -0.090 0.000 1.551 120 G CA -0.703 44.350 45.100 -0.078 0.000 0.946 120 G HN 0.250 nan 8.290 nan 0.000 0.662 121 R N 0.656 121.117 120.500 -0.065 0.000 2.148 121 R HA 0.154 4.495 4.340 0.003 0.000 0.223 121 R C 2.451 178.642 176.300 -0.182 0.000 1.088 121 R CA 1.455 57.443 56.100 -0.186 0.000 0.985 121 R CB -0.282 29.872 30.300 -0.244 0.000 0.880 121 R HN 0.649 nan 8.270 nan 0.000 0.451 122 L N -0.787 120.433 121.223 -0.005 0.000 2.262 122 L HA 0.128 4.470 4.340 0.003 0.000 0.197 122 L C 0.475 177.175 176.870 -0.282 0.000 1.073 122 L CA 1.329 56.099 54.840 -0.117 0.000 0.800 122 L CB -0.238 41.710 42.059 -0.185 0.000 0.987 122 L HN 0.132 nan 8.230 nan 0.000 0.470 123 H N 1.667 120.726 119.070 -0.019 0.000 2.983 123 H HA 0.201 4.758 4.556 0.003 0.000 0.222 123 H C -0.284 175.040 175.328 -0.007 0.000 1.828 123 H CA -0.101 55.952 56.048 0.008 0.000 1.309 123 H CB -0.907 28.856 29.762 0.001 0.000 1.644 123 H HN 0.270 nan 8.280 nan 0.000 0.561 124 N N 1.919 120.638 118.700 0.031 0.000 2.767 124 N HA -0.014 4.727 4.740 0.003 0.000 0.238 124 N C 1.407 176.936 175.510 0.032 0.000 1.083 124 N CA -0.342 52.695 53.050 -0.021 0.000 0.964 124 N CB -0.010 38.415 38.487 -0.104 0.000 1.252 124 N HN 0.432 nan 8.380 nan 0.000 0.512 125 C N 1.139 120.499 119.300 0.099 0.000 2.413 125 C HA -0.132 4.329 4.460 0.003 0.000 0.276 125 C C 2.445 177.479 174.990 0.073 0.000 1.248 125 C CA 1.490 60.619 59.018 0.185 0.000 1.742 125 C CB -1.533 26.351 27.740 0.240 0.000 2.017 125 C HN 0.688 nan 8.230 nan 0.000 0.481 126 T N -1.614 112.932 114.554 -0.013 0.000 2.904 126 T HA -0.090 4.261 4.350 0.003 0.000 0.267 126 T C 1.572 176.156 174.700 -0.194 0.000 1.059 126 T CA 2.100 64.129 62.100 -0.119 0.000 1.137 126 T CB -1.085 67.726 68.868 -0.096 0.000 0.879 126 T HN 0.597 nan 8.240 nan 0.000 0.467 127 T N 2.214 116.680 114.554 -0.147 0.000 2.857 127 T HA 0.220 4.572 4.350 0.003 0.000 0.266 127 T C 1.862 176.425 174.700 -0.228 0.000 1.048 127 T CA 0.719 62.710 62.100 -0.182 0.000 1.139 127 T CB -0.425 68.351 68.868 -0.154 0.000 0.874 127 T HN 0.283 nan 8.240 nan 0.000 0.455 128 L N 0.614 121.730 121.223 -0.177 0.000 2.131 128 L HA -0.060 4.282 4.340 0.003 0.000 0.210 128 L C 2.382 178.915 176.870 -0.562 0.000 1.092 128 L CA 0.727 55.473 54.840 -0.157 0.000 0.759 128 L CB -0.516 41.643 42.059 0.166 0.000 0.903 128 L HN 0.245 nan 8.230 nan 0.000 0.435 129 L N -0.084 120.647 121.223 -0.819 0.000 2.027 129 L HA -0.161 4.181 4.340 0.003 0.000 0.206 129 L C 2.667 179.026 176.870 -0.852 0.000 1.074 129 L CA 1.671 55.728 54.840 -1.305 0.000 0.745 129 L CB -0.423 41.118 42.059 -0.864 0.000 0.898 129 L HN 0.054 nan 8.230 nan 0.000 0.433 130 R N -0.736 119.377 120.500 -0.644 0.000 2.148 130 R HA -0.117 4.225 4.340 0.003 0.000 0.227 130 R C 2.412 178.511 176.300 -0.335 0.000 1.103 130 R CA 1.220 56.931 56.100 -0.650 0.000 0.983 130 R CB -0.390 29.569 30.300 -0.568 0.000 0.874 130 R HN 0.408 nan 8.270 nan 0.000 0.451 131 R N 0.579 120.927 120.500 -0.253 0.000 2.092 131 R HA -0.070 4.271 4.340 0.003 0.000 0.231 131 R C 2.212 178.516 176.300 0.007 0.000 1.119 131 R CA 1.139 57.172 56.100 -0.112 0.000 0.970 131 R CB -0.042 30.145 30.300 -0.188 0.000 0.864 131 R HN 0.129 nan 8.270 nan 0.000 0.440 132 M N 0.671 120.228 119.600 -0.072 0.000 2.123 132 M HA -0.092 4.390 4.480 0.003 0.000 0.263 132 M C 1.885 178.122 176.300 -0.105 0.000 1.069 132 M CA 1.553 56.795 55.300 -0.098 0.000 1.133 132 M CB -0.292 32.088 32.600 -0.367 0.000 1.356 132 M HN 0.271 nan 8.290 nan 0.000 0.415 133 L N -0.499 120.599 121.223 -0.208 0.000 2.131 133 L HA -0.188 4.154 4.340 0.003 0.000 0.210 133 L C 2.254 179.190 176.870 0.109 0.000 1.092 133 L CA 1.306 56.103 54.840 -0.070 0.000 0.759 133 L CB -1.068 40.882 42.059 -0.182 0.000 0.903 133 L HN 0.302 nan 8.230 nan 0.000 0.435 134 T N 0.428 115.054 114.554 0.120 0.000 2.708 134 T HA -0.149 4.202 4.350 0.003 0.000 0.266 134 T C 1.912 176.665 174.700 0.089 0.000 1.037 134 T CA 1.242 63.433 62.100 0.153 0.000 1.146 134 T CB -0.219 68.723 68.868 0.123 0.000 0.865 134 T HN 0.223 nan 8.240 nan 0.000 0.435 135 L N 0.606 121.873 121.223 0.074 0.000 2.362 135 L HA 0.047 4.388 4.340 0.003 0.000 0.219 135 L C 2.723 179.630 176.870 0.063 0.000 1.134 135 L CA 0.679 55.562 54.840 0.070 0.000 0.807 135 L CB -0.475 41.639 42.059 0.093 0.000 0.927 135 L HN 0.221 nan 8.230 nan 0.000 0.447 136 A N -0.683 122.175 122.820 0.064 0.000 2.123 136 A HA 0.327 4.649 4.320 0.003 0.000 0.214 136 A C 1.773 179.401 177.584 0.073 0.000 1.152 136 A CA 0.987 53.064 52.037 0.068 0.000 0.728 136 A CB -0.033 19.011 19.000 0.074 0.000 0.814 136 A HN 0.470 nan 8.150 nan 0.000 0.464 137 G N -3.369 105.476 108.800 0.074 0.000 2.425 137 G HA2 0.441 4.402 3.960 0.003 0.000 0.177 137 G HA3 0.441 4.402 3.960 0.003 0.000 0.177 137 G C 0.975 175.908 174.900 0.055 0.000 0.999 137 G CA 0.375 45.511 45.100 0.060 0.000 0.723 137 G HN 2.223 nan 8.290 nan 0.000 0.491 138 G N -0.980 107.877 108.800 0.096 0.000 2.408 138 G HA2 0.616 4.577 3.960 0.003 0.000 0.682 138 G HA3 0.616 4.577 3.960 0.003 0.000 0.682 138 G C -0.669 174.314 174.900 0.138 0.000 1.303 138 G CA 0.085 45.203 45.100 0.030 0.000 0.966 138 G HN 2.079 nan 8.290 nan 0.000 0.560 139 Y N -4.028 116.266 120.300 -0.010 0.000 2.732 139 Y HA 0.641 5.193 4.550 0.002 0.000 0.342 139 Y C -0.553 175.341 175.900 -0.010 0.000 1.203 139 Y CA -1.383 56.707 58.100 -0.016 0.000 1.092 139 Y CB 0.454 38.866 38.460 -0.080 0.000 1.345 139 Y HN 0.931 nan 8.280 nan 0.000 0.458 140 V N 2.728 122.732 119.914 0.149 0.000 2.509 140 V HA 0.370 4.491 4.120 0.003 0.000 0.284 140 V C -0.274 175.911 176.094 0.151 0.000 1.047 140 V CA -0.328 62.054 62.300 0.138 0.000 0.952 140 V CB 1.165 33.164 31.823 0.292 0.000 0.988 140 V HN 0.784 nan 8.190 nan 0.000 0.469 141 N N 1.797 120.558 118.700 0.102 0.000 2.525 141 N HA 0.699 5.441 4.740 0.003 0.000 0.288 141 N C -0.142 175.422 175.510 0.090 0.000 1.242 141 N CA -0.036 53.050 53.050 0.060 0.000 0.905 141 N CB 2.134 40.683 38.487 0.103 0.000 1.258 141 N HN 0.795 nan 8.380 nan 0.000 0.551 142 G N -1.317 107.511 108.800 0.047 0.000 2.473 142 G HA2 0.754 4.716 3.960 0.003 0.000 0.321 142 G HA3 0.754 4.716 3.960 0.003 0.000 0.321 142 G C -1.566 173.378 174.900 0.074 0.000 1.200 142 G CA -0.487 44.688 45.100 0.125 0.000 0.963 142 G HN 0.600 nan 8.290 nan 0.000 0.483 143 A N -0.353 122.489 122.820 0.036 0.000 2.386 143 A HA 0.992 5.313 4.320 0.003 0.000 0.311 143 A C 0.622 178.203 177.584 -0.004 0.000 1.068 143 A CA 0.508 52.564 52.037 0.032 0.000 0.743 143 A CB 1.199 20.227 19.000 0.046 0.000 1.258 143 A HN 2.671 nan 8.150 nan 0.000 0.429 144 G N 1.432 110.253 108.800 0.036 0.000 2.542 144 G HA2 0.321 4.283 3.960 0.003 0.000 0.235 144 G HA3 0.321 4.283 3.960 0.003 0.000 0.235 144 G C -0.520 174.398 174.900 0.030 0.000 1.286 144 G CA 0.974 46.085 45.100 0.018 0.000 0.904 144 G HN 2.484 nan 8.290 nan 0.000 0.577 145 D N -3.683 116.693 120.400 -0.040 0.000 2.725 145 D HA 0.446 5.088 4.640 0.003 0.000 0.292 145 D C -0.047 176.161 176.300 -0.154 0.000 1.288 145 D CA -0.566 53.440 54.000 0.010 0.000 0.784 145 D CB -0.145 40.797 40.800 0.237 0.000 1.308 145 D HN 0.404 nan 8.370 nan 0.000 0.429 146 Y N -0.189 120.014 120.300 -0.163 0.000 2.523 146 Y HA 0.193 4.745 4.550 0.002 0.000 0.279 146 Y C 2.179 178.125 175.900 0.076 0.000 1.139 146 Y CA 0.756 58.800 58.100 -0.094 0.000 1.296 146 Y CB 0.407 38.768 38.460 -0.166 0.000 1.045 146 Y HN 0.336 nan 8.280 nan 0.000 0.538 147 S N -1.110 114.740 115.700 0.250 0.000 2.387 147 S HA -0.067 4.404 4.470 0.003 0.000 0.221 147 S C 1.534 176.110 174.600 -0.040 0.000 1.041 147 S CA 1.508 59.848 58.200 0.234 0.000 0.959 147 S CB -0.246 63.084 63.200 0.217 0.000 0.843 147 S HN 0.487 nan 8.310 nan 0.000 0.488 148 T N -0.997 113.416 114.554 -0.235 0.000 3.415 148 T HA 0.402 4.754 4.350 0.003 0.000 0.282 148 T C 1.334 175.894 174.700 -0.233 0.000 1.007 148 T CA 0.188 62.022 62.100 -0.443 0.000 0.958 148 T CB 0.490 68.789 68.868 -0.949 0.000 1.171 148 T HN 0.206 nan 8.240 nan 0.000 0.500 149 G N 1.201 109.929 108.800 -0.120 0.000 2.485 149 G HA2 0.015 3.977 3.960 0.003 0.000 0.221 149 G HA3 0.015 3.977 3.960 0.003 0.000 0.221 149 G C 1.369 176.242 174.900 -0.045 0.000 1.115 149 G CA 0.829 45.874 45.100 -0.091 0.000 0.751 149 G HN 0.770 nan 8.290 nan 0.000 0.567 150 A N 0.500 123.298 122.820 -0.036 0.000 1.920 150 A HA 0.632 4.954 4.320 0.003 0.000 0.209 150 A C 2.735 180.298 177.584 -0.035 0.000 1.229 150 A CA 1.418 53.458 52.037 0.005 0.000 0.671 150 A CB -0.733 18.297 19.000 0.050 0.000 0.886 150 A HN 0.675 nan 8.150 nan 0.000 0.461 151 A N 1.015 123.792 122.820 -0.072 0.000 1.903 151 A HA -0.301 4.020 4.320 0.003 0.000 0.219 151 A C 2.199 179.656 177.584 -0.212 0.000 1.191 151 A CA 2.128 54.077 52.037 -0.146 0.000 0.638 151 A CB -0.907 17.904 19.000 -0.315 0.000 0.823 151 A HN 0.769 nan 8.150 nan 0.000 0.451 152 Q N -0.849 118.799 119.800 -0.254 0.000 2.364 152 Q HA -0.018 4.324 4.340 0.003 0.000 0.207 152 Q C 1.444 177.349 176.000 -0.159 0.000 0.970 152 Q CA 1.639 57.295 55.803 -0.245 0.000 0.888 152 Q CB -0.316 28.274 28.738 -0.247 0.000 0.951 152 Q HN 0.387 nan 8.270 nan 0.000 0.469 153 V N 0.098 119.946 119.914 -0.110 0.000 2.825 153 V HA -0.073 4.048 4.120 0.003 0.000 0.246 153 V C 1.836 177.861 176.094 -0.116 0.000 1.068 153 V CA 0.561 62.804 62.300 -0.095 0.000 1.088 153 V CB 0.093 31.916 31.823 -0.001 0.000 0.733 153 V HN 0.283 nan 8.190 nan 0.000 0.468 154 I N -0.519 119.974 120.570 -0.128 0.000 2.584 154 I HA -0.031 4.141 4.170 0.003 0.000 0.255 154 I C 2.192 178.144 176.117 -0.275 0.000 1.145 154 I CA 1.397 62.573 61.300 -0.207 0.000 1.462 154 I CB -0.171 37.676 38.000 -0.255 0.000 1.102 154 I HN 0.092 nan 8.210 nan 0.000 0.433 155 M N 0.924 120.395 119.600 -0.215 0.000 2.080 155 M HA -0.111 4.370 4.480 0.003 0.000 0.260 155 M C -0.258 175.934 176.300 -0.179 0.000 1.068 155 M CA 2.042 57.235 55.300 -0.178 0.000 1.109 155 M CB -2.540 29.982 32.600 -0.130 0.000 1.342 155 M HN 0.108 nan 8.290 nan 0.000 0.405 156 P HA -0.121 nan 4.420 nan 0.000 0.220 156 P C 1.324 178.441 177.300 -0.304 0.000 1.148 156 P CA 1.297 64.243 63.100 -0.257 0.000 0.803 156 P CB -0.355 31.159 31.700 -0.310 0.000 0.782 157 H N -1.459 117.484 119.070 -0.212 0.000 2.470 157 H HA 0.069 4.627 4.556 0.003 0.000 0.289 157 H C 1.756 176.948 175.328 -0.226 0.000 1.033 157 H CA 0.954 56.866 56.048 -0.228 0.000 1.331 157 H CB -0.310 29.258 29.762 -0.323 0.000 1.414 157 H HN 0.030 nan 8.280 nan 0.000 0.545 158 V N 0.456 120.268 119.914 -0.170 0.000 2.581 158 V HA -0.070 4.052 4.120 0.003 0.000 0.240 158 V C 2.167 178.240 176.094 -0.036 0.000 1.054 158 V CA 1.193 63.416 62.300 -0.129 0.000 1.076 158 V CB 0.168 31.829 31.823 -0.270 0.000 0.748 158 V HN 0.320 nan 8.190 nan 0.000 0.474 159 V N -2.329 117.563 119.914 -0.036 0.000 3.380 159 V HA 0.673 4.795 4.120 0.003 0.000 0.307 159 V C 1.389 177.481 176.094 -0.003 0.000 1.434 159 V CA 0.544 62.850 62.300 0.010 0.000 1.075 159 V CB -0.267 31.631 31.823 0.124 0.000 0.954 159 V HN 0.643 nan 8.190 nan 0.000 0.444 160 G N 1.171 109.944 108.800 -0.044 0.000 2.189 160 G HA2 -0.266 3.696 3.960 0.003 0.000 0.267 160 G HA3 -0.266 3.696 3.960 0.003 0.000 0.267 160 G C 0.297 175.159 174.900 -0.064 0.000 0.975 160 G CA 1.037 46.103 45.100 -0.058 0.000 0.644 160 G HN 1.172 nan 8.290 nan 0.000 0.537 161 T N -2.722 111.801 114.554 -0.052 0.000 2.831 161 T HA 0.645 4.996 4.350 0.003 0.000 0.287 161 T C 1.014 175.670 174.700 -0.074 0.000 1.070 161 T CA -0.112 61.953 62.100 -0.059 0.000 1.010 161 T CB 1.684 70.525 68.868 -0.045 0.000 1.264 161 T HN 0.655 nan 8.240 nan 0.000 0.532 162 L N 0.651 121.827 121.223 -0.078 0.000 2.217 162 L HA 0.120 4.461 4.340 0.003 0.000 0.211 162 L C 1.955 178.752 176.870 -0.122 0.000 1.107 162 L CA 2.318 57.089 54.840 -0.115 0.000 0.783 162 L CB -0.847 41.156 42.059 -0.094 0.000 0.919 162 L HN 1.057 nan 8.230 nan 0.000 0.442 163 E N -1.368 118.799 120.200 -0.055 0.000 4.931 163 E HA -0.373 3.978 4.350 0.003 0.000 0.176 163 E C 1.647 178.218 176.600 -0.048 0.000 1.336 163 E CA 2.695 59.090 56.400 -0.009 0.000 2.234 163 E CB -1.709 28.037 29.700 0.077 0.000 1.887 163 E HN 0.421 nan 8.360 nan 0.000 0.354 164 V N -1.587 118.201 119.914 -0.211 0.000 2.392 164 V HA -0.141 3.980 4.120 0.003 0.000 0.249 164 V C 1.626 177.617 176.094 -0.170 0.000 1.059 164 V CA 2.254 64.371 62.300 -0.304 0.000 1.051 164 V CB -0.820 30.482 31.823 -0.868 0.000 0.658 164 V HN 0.365 nan 8.190 nan 0.000 0.455 165 Y N 1.209 121.559 120.300 0.084 0.000 2.833 165 Y HA 0.655 5.206 4.550 0.002 0.000 0.339 165 Y C 0.466 176.528 175.900 0.270 0.000 1.032 165 Y CA -1.365 56.863 58.100 0.213 0.000 1.450 165 Y CB -0.475 38.025 38.460 0.067 0.000 1.296 165 Y HN 0.456 nan 8.280 nan 0.000 0.535 166 E N -0.057 120.315 120.200 0.286 0.000 2.312 166 E HA 0.320 4.672 4.350 0.003 0.000 0.267 166 E C -0.875 175.730 176.600 0.008 0.000 0.894 166 E CA -1.469 55.038 56.400 0.177 0.000 0.773 166 E CB 1.668 31.395 29.700 0.044 0.000 1.241 166 E HN -0.011 nan 8.360 nan 0.000 0.432 167 Q N 1.934 121.700 119.800 -0.057 0.000 2.386 167 Q HA -0.051 4.291 4.340 0.003 0.000 0.282 167 Q C -0.769 175.126 176.000 -0.174 0.000 1.050 167 Q CA 0.718 56.359 55.803 -0.269 0.000 0.918 167 Q CB 0.511 29.079 28.738 -0.283 0.000 1.266 167 Q HN 0.255 nan 8.270 nan 0.000 0.423 168 Q N 1.412 121.030 119.800 -0.304 0.000 2.195 168 Q HA 0.365 4.706 4.340 0.003 0.000 0.250 168 Q C -0.425 175.582 176.000 0.012 0.000 0.988 168 Q CA -0.590 55.029 55.803 -0.307 0.000 0.911 168 Q CB 0.606 28.774 28.738 -0.950 0.000 1.258 168 Q HN 0.691 nan 8.270 nan 0.000 0.475 169 T N 1.556 116.080 114.554 -0.051 0.000 2.905 169 T HA 0.177 4.529 4.350 0.003 0.000 0.299 169 T C 0.160 174.890 174.700 0.049 0.000 1.024 169 T CA 0.078 62.157 62.100 -0.034 0.000 1.151 169 T CB 0.102 68.921 68.868 -0.082 0.000 0.987 169 T HN 0.581 nan 8.240 nan 0.000 0.535 170 A N 3.313 126.196 122.820 0.106 0.000 2.520 170 A HA 0.139 4.460 4.320 0.003 0.000 0.235 170 A C 1.024 178.668 177.584 0.100 0.000 1.065 170 A CA -0.268 51.842 52.037 0.122 0.000 0.764 170 A CB -0.008 19.102 19.000 0.182 0.000 1.002 170 A HN 1.108 nan 8.150 nan 0.000 0.502 171 W N 1.496 122.903 121.300 0.178 0.000 2.318 171 W HA -0.148 4.513 4.660 0.002 0.000 0.313 171 W C -0.744 175.824 176.519 0.081 0.000 1.221 171 W CA 2.217 59.634 57.345 0.120 0.000 1.266 171 W CB -1.142 28.391 29.460 0.122 0.000 1.150 171 W HN 0.598 nan 8.180 nan 0.000 0.496 172 P HA -0.162 nan 4.420 nan 0.000 0.218 172 P C 1.539 178.922 177.300 0.139 0.000 1.149 172 P CA 1.595 64.816 63.100 0.200 0.000 0.817 172 P CB -0.236 31.564 31.700 0.167 0.000 0.785 173 V N -0.129 119.853 119.914 0.113 0.000 2.343 173 V HA -0.229 3.893 4.120 0.003 0.000 0.247 173 V C 2.495 178.617 176.094 0.047 0.000 1.051 173 V CA 1.567 63.903 62.300 0.061 0.000 1.036 173 V CB -1.302 30.536 31.823 0.026 0.000 0.654 173 V HN 0.074 nan 8.190 nan 0.000 0.451 174 L N 0.228 121.484 121.223 0.055 0.000 2.042 174 L HA -0.195 4.147 4.340 0.003 0.000 0.210 174 L C 2.802 179.712 176.870 0.066 0.000 1.076 174 L CA 1.784 56.641 54.840 0.029 0.000 0.749 174 L CB -1.028 41.038 42.059 0.012 0.000 0.893 174 L HN 0.392 nan 8.230 nan 0.000 0.432 175 A N -0.321 122.572 122.820 0.122 0.000 1.908 175 A HA -0.184 4.138 4.320 0.003 0.000 0.218 175 A C 2.174 179.799 177.584 0.069 0.000 1.181 175 A CA 1.532 53.634 52.037 0.109 0.000 0.627 175 A CB -0.282 18.797 19.000 0.131 0.000 0.818 175 A HN 0.347 nan 8.150 nan 0.000 0.445 176 E N -0.177 120.060 120.200 0.062 0.000 2.230 176 E HA -0.008 4.343 4.350 0.003 0.000 0.192 176 E C 1.080 177.696 176.600 0.027 0.000 0.987 176 E CA 0.671 57.098 56.400 0.044 0.000 0.841 176 E CB -0.166 29.561 29.700 0.044 0.000 0.783 176 E HN 0.696 nan 8.360 nan 0.000 0.481 177 N N -0.304 118.407 118.700 0.018 0.000 2.257 177 N HA 0.025 4.767 4.740 0.003 0.000 0.200 177 N C -0.006 175.498 175.510 -0.010 0.000 1.163 177 N CA 0.154 53.205 53.050 0.003 0.000 0.891 177 N CB 0.950 39.434 38.487 -0.006 0.000 1.067 177 N HN -0.073 nan 8.380 nan 0.000 0.497 178 T N 1.106 115.650 114.554 -0.018 0.000 2.869 178 T HA 0.188 4.539 4.350 0.003 0.000 0.295 178 T C 1.013 175.693 174.700 -0.034 0.000 0.987 178 T CA 0.151 62.225 62.100 -0.042 0.000 1.109 178 T CB 1.807 70.631 68.868 -0.074 0.000 0.932 178 T HN 0.108 nan 8.240 nan 0.000 0.518 179 E N 1.172 121.351 120.200 -0.034 0.000 2.290 179 E HA 0.160 4.511 4.350 0.003 0.000 0.197 179 E C -0.164 176.415 176.600 -0.034 0.000 0.948 179 E CA 0.139 56.526 56.400 -0.021 0.000 0.895 179 E CB 0.699 30.397 29.700 -0.003 0.000 0.865 179 E HN 0.282 nan 8.360 nan 0.000 0.486 180 V N 2.075 121.958 119.914 -0.052 0.000 2.483 180 V HA 0.364 4.485 4.120 0.003 0.000 0.297 180 V C -0.865 175.129 176.094 -0.167 0.000 1.027 180 V CA -0.746 61.513 62.300 -0.067 0.000 0.855 180 V CB 1.560 33.392 31.823 0.015 0.000 0.995 180 V HN 0.110 nan 8.190 nan 0.000 0.424 181 M N 6.562 126.018 119.600 -0.240 0.000 2.167 181 M HA 0.687 5.169 4.480 0.003 0.000 0.333 181 M C -1.192 174.825 176.300 -0.473 0.000 1.030 181 M CA -0.155 54.903 55.300 -0.404 0.000 0.963 181 M CB 1.536 33.831 32.600 -0.507 0.000 1.589 181 M HN 0.409 nan 8.290 nan 0.000 0.431 182 V N 5.682 125.315 119.914 -0.469 0.000 2.459 182 V HA 0.522 4.644 4.120 0.003 0.000 0.295 182 V C -1.022 174.872 176.094 -0.333 0.000 1.029 182 V CA -0.507 61.598 62.300 -0.325 0.000 0.874 182 V CB 1.353 33.033 31.823 -0.239 0.000 0.985 182 V HN 0.672 nan 8.190 nan 0.000 0.438 183 F N 3.799 123.777 119.950 0.046 0.000 2.308 183 F HA 0.378 4.906 4.527 0.002 0.000 0.370 183 F C -0.190 175.700 175.800 0.151 0.000 1.100 183 F CA -0.819 57.245 58.000 0.108 0.000 1.108 183 F CB 1.042 40.102 39.000 0.099 0.000 1.293 183 F HN 0.546 nan 8.300 nan 0.000 0.478 184 W N 4.695 126.109 121.300 0.190 0.000 2.311 184 W HA 0.500 5.161 4.660 0.002 0.000 0.317 184 W C 0.318 176.912 176.519 0.126 0.000 1.065 184 W CA -0.986 56.446 57.345 0.144 0.000 1.364 184 W CB 0.997 30.521 29.460 0.107 0.000 1.233 184 W HN 0.745 nan 8.180 nan 0.000 0.409 185 A N 3.999 127.074 122.820 0.426 0.000 2.930 185 A HA 0.077 4.398 4.320 0.003 0.000 0.273 185 A C -0.069 177.598 177.584 0.138 0.000 1.435 185 A CA 1.318 53.531 52.037 0.293 0.000 0.780 185 A CB -1.792 17.405 19.000 0.328 0.000 1.034 185 A HN 1.440 nan 8.150 nan 0.000 0.562 186 A N -0.643 122.249 122.820 0.119 0.000 2.449 186 A HA 0.708 5.029 4.320 0.003 0.000 0.302 186 A C -0.576 177.001 177.584 -0.012 0.000 1.048 186 A CA 0.297 52.313 52.037 -0.034 0.000 0.708 186 A CB 1.272 20.270 19.000 -0.003 0.000 1.274 186 A HN 0.953 nan 8.150 nan 0.000 0.410 187 D N 2.631 122.995 120.400 -0.059 0.000 2.443 187 D HA 0.352 4.993 4.640 0.003 0.000 0.281 187 D C -1.897 174.325 176.300 -0.130 0.000 1.210 187 D CA -1.690 52.263 54.000 -0.077 0.000 0.875 187 D CB 1.316 42.121 40.800 0.008 0.000 1.125 187 D HN 0.126 nan 8.370 nan 0.000 0.503 188 P HA -0.089 nan 4.420 nan 0.000 0.219 188 P C 1.777 178.889 177.300 -0.313 0.000 1.146 188 P CA 0.638 63.605 63.100 -0.222 0.000 0.808 188 P CB 0.643 32.163 31.700 -0.300 0.000 0.779 189 I N -0.226 120.151 120.570 -0.321 0.000 2.315 189 I HA -0.197 3.974 4.170 0.003 0.000 0.248 189 I C 2.693 178.718 176.117 -0.153 0.000 1.117 189 I CA 1.389 62.534 61.300 -0.259 0.000 1.404 189 I CB -0.361 37.511 38.000 -0.214 0.000 1.071 189 I HN -0.038 nan 8.210 nan 0.000 0.419 190 K N 0.739 121.022 120.400 -0.195 0.000 2.021 190 K HA -0.138 4.183 4.320 0.003 0.000 0.205 190 K C 2.044 178.457 176.600 -0.311 0.000 1.047 190 K CA 1.875 57.890 56.287 -0.454 0.000 0.943 190 K CB -0.072 32.240 32.500 -0.313 0.000 0.725 190 K HN 0.335 nan 8.250 nan 0.000 0.439 191 T N -1.808 112.654 114.554 -0.153 0.000 3.118 191 T HA 0.073 4.425 4.350 0.003 0.000 0.260 191 T C 1.407 176.093 174.700 -0.023 0.000 1.139 191 T CA 0.715 62.774 62.100 -0.069 0.000 1.085 191 T CB 0.159 69.039 68.868 0.020 0.000 0.934 191 T HN -0.006 nan 8.240 nan 0.000 0.518 192 S N 1.292 116.977 115.700 -0.026 0.000 2.575 192 S HA 0.130 4.601 4.470 0.003 0.000 0.215 192 S C 1.761 176.534 174.600 0.289 0.000 0.966 192 S CA -0.254 57.975 58.200 0.048 0.000 0.911 192 S CB -0.118 62.969 63.200 -0.190 0.000 0.780 192 S HN 0.605 nan 8.310 nan 0.000 0.514 193 Q N 0.578 120.507 119.800 0.215 0.000 2.297 193 Q HA 0.050 4.392 4.340 0.003 0.000 0.204 193 Q C 0.427 176.624 176.000 0.328 0.000 0.962 193 Q CA 0.670 56.636 55.803 0.273 0.000 0.879 193 Q CB -0.162 28.641 28.738 0.109 0.000 0.947 193 Q HN 0.682 nan 8.270 nan 0.000 0.462 194 I N -4.413 116.229 120.570 0.121 0.000 3.108 194 I HA 0.788 4.960 4.170 0.003 0.000 0.312 194 I C -0.122 176.021 176.117 0.044 0.000 1.095 194 I CA -1.103 60.201 61.300 0.007 0.000 1.000 194 I CB 1.987 39.824 38.000 -0.272 0.000 1.229 194 I HN -0.177 nan 8.210 nan 0.000 0.454 195 G N 0.654 109.514 108.800 0.100 0.000 2.642 195 G HA2 0.269 4.231 3.960 0.003 0.000 0.293 195 G HA3 0.269 4.231 3.960 0.003 0.000 0.293 195 G C -0.746 174.360 174.900 0.345 0.000 1.341 195 G CA -0.621 44.552 45.100 0.122 0.000 0.916 195 G HN 0.978 nan 8.290 nan 0.000 0.474 196 W N 1.296 122.601 121.300 0.009 0.000 2.441 196 W HA 0.071 4.733 4.660 0.002 0.000 0.302 196 W C 0.656 177.183 176.519 0.013 0.000 1.191 196 W CA 1.725 58.982 57.345 -0.147 0.000 1.327 196 W CB 0.033 29.299 29.460 -0.322 0.000 1.128 196 W HN 0.435 nan 8.180 nan 0.000 0.522 197 V N 0.248 120.183 119.914 0.035 0.000 3.503 197 V HA 0.319 4.441 4.120 0.003 0.000 0.294 197 V C 0.691 176.771 176.094 -0.025 0.000 1.102 197 V CA -1.282 60.962 62.300 -0.094 0.000 0.979 197 V CB 0.045 31.834 31.823 -0.056 0.000 1.240 197 V HN -0.083 nan 8.190 nan 0.000 0.444 198 I N 2.411 122.952 120.570 -0.048 0.000 2.752 198 I HA 0.230 4.402 4.170 0.003 0.000 0.289 198 I C -2.068 174.042 176.117 -0.012 0.000 1.197 198 I CA -2.202 59.083 61.300 -0.024 0.000 1.432 198 I CB -0.691 37.269 38.000 -0.067 0.000 1.359 198 I HN 0.590 nan 8.210 nan 0.000 0.571 199 P HA 0.150 nan 4.420 nan 0.000 0.278 199 P C 0.149 177.363 177.300 -0.144 0.000 1.238 199 P CA -0.222 62.824 63.100 -0.091 0.000 0.794 199 P CB 1.002 32.599 31.700 -0.173 0.000 0.955 200 E N 1.728 121.908 120.200 -0.034 0.000 2.498 200 E HA -0.068 4.284 4.350 0.003 0.000 0.203 200 E C -0.198 176.489 176.600 0.144 0.000 1.013 200 E CA -0.021 56.432 56.400 0.089 0.000 0.927 200 E CB -0.966 28.843 29.700 0.182 0.000 1.012 200 E HN 0.610 nan 8.360 nan 0.000 0.482 201 H N -0.511 118.709 119.070 0.251 0.000 2.791 201 H HA -0.136 4.422 4.556 0.003 0.000 0.302 201 H C 1.168 176.664 175.328 0.282 0.000 1.198 201 H CA -0.026 56.209 56.048 0.311 0.000 1.145 201 H CB -1.612 28.331 29.762 0.302 0.000 1.385 201 H HN 0.433 nan 8.280 nan 0.000 0.409 202 G N 0.005 108.981 108.800 0.294 0.000 2.509 202 G HA2 -0.052 3.910 3.960 0.003 0.000 0.218 202 G HA3 -0.052 3.910 3.960 0.003 0.000 0.218 202 G C 1.706 176.644 174.900 0.063 0.000 1.124 202 G CA 0.650 45.879 45.100 0.216 0.000 0.776 202 G HN 0.614 nan 8.290 nan 0.000 0.547 203 A N 0.313 123.137 122.820 0.008 0.000 1.930 203 A HA 0.055 4.376 4.320 0.003 0.000 0.217 203 A C 2.087 179.271 177.584 -0.667 0.000 1.175 203 A CA 1.260 53.089 52.037 -0.347 0.000 0.627 203 A CB -0.531 18.286 19.000 -0.305 0.000 0.815 203 A HN 0.403 nan 8.150 nan 0.000 0.443 204 Y N 0.185 120.301 120.300 -0.306 0.000 2.097 204 Y HA -0.132 4.419 4.550 0.002 0.000 0.282 204 Y C -0.052 175.673 175.900 -0.290 0.000 1.152 204 Y CA 2.194 60.068 58.100 -0.377 0.000 1.136 204 Y CB -1.805 36.415 38.460 -0.400 0.000 0.975 204 Y HN 0.289 nan 8.280 nan 0.000 0.498 205 P HA -0.140 nan 4.420 nan 0.000 0.216 205 P C 1.760 178.950 177.300 -0.184 0.000 1.150 205 P CA 2.166 65.233 63.100 -0.054 0.000 0.837 205 P CB -0.307 31.396 31.700 0.005 0.000 0.786 206 G N -0.273 108.225 108.800 -0.503 0.000 2.440 206 G HA2 -0.225 3.736 3.960 0.003 0.000 0.218 206 G HA3 -0.225 3.736 3.960 0.003 0.000 0.218 206 G C 1.449 175.956 174.900 -0.656 0.000 1.154 206 G CA 0.644 45.234 45.100 -0.849 0.000 0.767 206 G HN 0.231 nan 8.290 nan 0.000 0.552 207 L N -0.048 120.806 121.223 -0.614 0.000 2.095 207 L HA 0.042 4.383 4.340 0.003 0.000 0.204 207 L C 2.861 179.893 176.870 0.270 0.000 1.080 207 L CA 0.916 55.692 54.840 -0.106 0.000 0.759 207 L CB -0.439 41.453 42.059 -0.279 0.000 0.914 207 L HN 0.263 nan 8.230 nan 0.000 0.439 208 E N 0.649 120.955 120.200 0.176 0.000 2.085 208 E HA -0.240 4.112 4.350 0.003 0.000 0.194 208 E C 2.332 179.040 176.600 0.180 0.000 0.994 208 E CA 1.222 57.783 56.400 0.269 0.000 0.801 208 E CB -0.231 29.586 29.700 0.194 0.000 0.743 208 E HN 0.499 nan 8.360 nan 0.000 0.453 209 A N 1.478 124.363 122.820 0.108 0.000 1.908 209 A HA -0.184 4.138 4.320 0.003 0.000 0.218 209 A C 2.232 179.903 177.584 0.145 0.000 1.181 209 A CA 1.180 53.283 52.037 0.110 0.000 0.627 209 A CB -0.678 18.380 19.000 0.097 0.000 0.818 209 A HN 0.136 nan 8.150 nan 0.000 0.445 210 L N -0.820 120.521 121.223 0.196 0.000 2.046 210 L HA -0.187 4.155 4.340 0.003 0.000 0.208 210 L C 2.656 179.652 176.870 0.211 0.000 1.077 210 L CA 1.938 56.892 54.840 0.190 0.000 0.747 210 L CB -0.445 41.725 42.059 0.185 0.000 0.896 210 L HN 0.504 nan 8.230 nan 0.000 0.432 211 K N 0.547 121.161 120.400 0.357 0.000 2.097 211 K HA -0.138 4.184 4.320 0.003 0.000 0.205 211 K C 2.140 178.815 176.600 0.124 0.000 1.050 211 K CA 1.169 57.627 56.287 0.286 0.000 0.938 211 K CB -0.025 32.606 32.500 0.219 0.000 0.718 211 K HN 0.231 nan 8.250 nan 0.000 0.442 212 A N 1.532 124.415 122.820 0.105 0.000 1.933 212 A HA -0.116 4.205 4.320 0.003 0.000 0.218 212 A C 1.723 179.343 177.584 0.060 0.000 1.175 212 A CA 1.335 53.410 52.037 0.064 0.000 0.628 212 A CB -0.252 18.785 19.000 0.061 0.000 0.814 212 A HN 0.249 nan 8.150 nan 0.000 0.444 213 K N -1.125 119.317 120.400 0.071 0.000 2.525 213 K HA 0.104 4.426 4.320 0.003 0.000 0.192 213 K C 1.001 177.628 176.600 0.045 0.000 1.029 213 K CA 0.553 56.872 56.287 0.054 0.000 1.029 213 K CB -0.229 32.303 32.500 0.055 0.000 0.814 213 K HN 0.687 nan 8.250 nan 0.000 0.503 214 G N 2.196 111.026 108.800 0.050 0.000 2.179 214 G HA2 -0.254 3.707 3.960 0.003 0.000 0.257 214 G HA3 -0.254 3.707 3.960 0.003 0.000 0.257 214 G C 0.278 175.192 174.900 0.024 0.000 1.010 214 G CA 0.522 45.645 45.100 0.038 0.000 0.736 214 G HN 0.275 nan 8.290 nan 0.000 0.513 215 T N -0.231 114.332 114.554 0.015 0.000 2.855 215 T HA 0.324 4.675 4.350 0.003 0.000 0.314 215 T C 0.814 175.492 174.700 -0.036 0.000 1.077 215 T CA 0.749 62.837 62.100 -0.019 0.000 1.095 215 T CB 0.774 69.617 68.868 -0.041 0.000 0.987 215 T HN 0.555 nan 8.240 nan 0.000 0.546 216 K N 2.036 122.411 120.400 -0.041 0.000 2.276 216 K HA 0.417 4.739 4.320 0.003 0.000 0.285 216 K C -1.188 175.356 176.600 -0.093 0.000 1.062 216 K CA -0.484 55.782 56.287 -0.035 0.000 0.918 216 K CB 0.378 32.877 32.500 -0.001 0.000 1.055 216 K HN 0.263 nan 8.250 nan 0.000 0.477 217 V N 6.490 126.343 119.914 -0.102 0.000 2.459 217 V HA 0.454 4.576 4.120 0.003 0.000 0.295 217 V C -0.275 175.805 176.094 -0.023 0.000 1.029 217 V CA -0.798 61.404 62.300 -0.163 0.000 0.874 217 V CB 1.316 32.930 31.823 -0.348 0.000 0.985 217 V HN 0.707 nan 8.190 nan 0.000 0.438 218 I N 4.554 125.112 120.570 -0.020 0.000 2.466 218 I HA 0.484 4.656 4.170 0.003 0.000 0.289 218 I C -0.669 175.494 176.117 0.078 0.000 1.026 218 I CA -0.611 60.717 61.300 0.046 0.000 1.078 218 I CB 2.204 40.242 38.000 0.063 0.000 1.249 218 I HN 0.290 nan 8.210 nan 0.000 0.429 219 V N 7.397 127.390 119.914 0.132 0.000 2.384 219 V HA 0.447 4.568 4.120 0.003 0.000 0.287 219 V C 0.003 176.167 176.094 0.117 0.000 1.020 219 V CA -0.435 61.964 62.300 0.165 0.000 0.850 219 V CB 1.692 33.612 31.823 0.161 0.000 0.987 219 V HN 0.468 nan 8.190 nan 0.000 0.436 220 I N 4.758 125.320 120.570 -0.013 0.000 2.388 220 I HA 0.515 4.687 4.170 0.003 0.000 0.281 220 I C -0.734 175.398 176.117 0.025 0.000 1.046 220 I CA 0.129 61.333 61.300 -0.159 0.000 1.187 220 I CB 0.873 38.405 38.000 -0.779 0.000 1.351 220 I HN 0.572 nan 8.210 nan 0.000 0.472 221 D N 8.004 128.501 120.400 0.162 0.000 2.803 221 D HA 0.231 4.873 4.640 0.003 0.000 0.218 221 D C -2.325 174.128 176.300 0.256 0.000 1.245 221 D CA -1.377 52.749 54.000 0.211 0.000 0.821 221 D CB 3.474 44.399 40.800 0.208 0.000 1.626 221 D HN 0.036 nan 8.370 nan 0.000 0.487 222 P HA -0.009 nan 4.420 nan 0.000 0.226 222 P C 0.464 177.882 177.300 0.196 0.000 1.153 222 P CA 0.377 63.558 63.100 0.136 0.000 0.777 222 P CB 0.577 32.336 31.700 0.097 0.000 0.794 223 V N 0.653 120.718 119.914 0.252 0.000 2.628 223 V HA 0.316 4.438 4.120 0.003 0.000 0.306 223 V C 0.660 176.891 176.094 0.229 0.000 1.045 223 V CA -1.069 61.369 62.300 0.230 0.000 0.905 223 V CB 2.380 34.307 31.823 0.172 0.000 0.997 223 V HN -0.142 nan 8.190 nan 0.000 0.436 224 R N 2.811 123.437 120.500 0.209 0.000 2.429 224 R HA 0.290 4.632 4.340 0.003 0.000 0.302 224 R C 0.452 176.752 176.300 -0.000 0.000 1.268 224 R CA -0.087 56.012 56.100 -0.003 0.000 1.090 224 R CB 0.203 30.584 30.300 0.134 0.000 1.102 224 R HN 1.002 nan 8.270 nan 0.000 0.522 225 T N -0.082 114.455 114.554 -0.029 0.000 2.833 225 T HA 0.195 4.546 4.350 0.003 0.000 0.292 225 T C 1.085 175.823 174.700 0.063 0.000 1.031 225 T CA -0.605 61.532 62.100 0.062 0.000 0.937 225 T CB 0.959 69.875 68.868 0.081 0.000 1.256 225 T HN 0.397 nan 8.240 nan 0.000 0.551 226 K N -0.138 120.335 120.400 0.122 0.000 2.296 226 K HA -0.009 4.312 4.320 0.003 0.000 0.200 226 K C 2.406 179.054 176.600 0.080 0.000 1.048 226 K CA 0.842 57.202 56.287 0.121 0.000 0.966 226 K CB -0.528 32.093 32.500 0.202 0.000 0.754 226 K HN 0.610 nan 8.250 nan 0.000 0.466 227 T N 1.471 116.047 114.554 0.037 0.000 2.708 227 T HA -0.106 4.245 4.350 0.003 0.000 0.266 227 T C 2.098 176.897 174.700 0.165 0.000 1.037 227 T CA 1.140 63.251 62.100 0.018 0.000 1.146 227 T CB -0.187 68.641 68.868 -0.067 0.000 0.865 227 T HN -0.077 nan 8.240 nan 0.000 0.435 228 V N 1.337 121.309 119.914 0.096 0.000 2.255 228 V HA -0.203 3.919 4.120 0.003 0.000 0.247 228 V C 2.507 178.676 176.094 0.125 0.000 1.051 228 V CA 1.834 64.189 62.300 0.090 0.000 1.018 228 V CB -0.619 31.123 31.823 -0.135 0.000 0.641 228 V HN 0.505 nan 8.190 nan 0.000 0.445 229 E N -0.693 119.558 120.200 0.085 0.000 2.085 229 E HA -0.262 4.090 4.350 0.003 0.000 0.194 229 E C 1.972 178.618 176.600 0.076 0.000 0.994 229 E CA 1.724 58.171 56.400 0.078 0.000 0.801 229 E CB -0.289 29.451 29.700 0.068 0.000 0.743 229 E HN 0.609 nan 8.360 nan 0.000 0.453 230 F N -0.077 119.806 119.950 -0.112 0.000 2.095 230 F HA -0.218 4.310 4.527 0.002 0.000 0.298 230 F C 1.456 177.087 175.800 -0.281 0.000 1.104 230 F CA 1.442 59.281 58.000 -0.268 0.000 1.232 230 F CB -0.035 38.670 39.000 -0.491 0.000 0.987 230 F HN -0.033 nan 8.300 nan 0.000 0.475 231 F N 0.397 120.420 119.950 0.121 0.000 2.776 231 F HA 0.319 4.847 4.527 0.002 0.000 0.300 231 F C 1.882 177.688 175.800 0.011 0.000 1.116 231 F CA 0.408 58.426 58.000 0.030 0.000 1.375 231 F CB -0.683 38.427 39.000 0.184 0.000 1.109 231 F HN 0.062 nan 8.300 nan 0.000 0.585 232 G N 1.271 110.169 108.800 0.163 0.000 2.305 232 G HA2 -0.154 3.807 3.960 0.003 0.000 0.287 232 G HA3 -0.154 3.807 3.960 0.003 0.000 0.287 232 G C 0.516 175.512 174.900 0.161 0.000 1.036 232 G CA 0.030 45.203 45.100 0.123 0.000 0.887 232 G HN 0.657 nan 8.290 nan 0.000 0.505 233 A N -0.604 122.347 122.820 0.218 0.000 2.386 233 A HA 0.549 4.871 4.320 0.003 0.000 0.246 233 A C 0.767 178.439 177.584 0.146 0.000 1.089 233 A CA 0.530 52.679 52.037 0.188 0.000 0.790 233 A CB 0.303 19.441 19.000 0.231 0.000 1.042 233 A HN 0.934 nan 8.150 nan 0.000 0.497 234 E N 0.430 120.701 120.200 0.118 0.000 2.324 234 E HA 0.068 4.419 4.350 0.003 0.000 0.271 234 E C -0.423 176.275 176.600 0.164 0.000 1.028 234 E CA 0.043 56.509 56.400 0.110 0.000 0.890 234 E CB 0.135 29.876 29.700 0.068 0.000 1.004 234 E HN 0.709 nan 8.360 nan 0.000 0.431 235 H N 6.142 125.235 119.070 0.039 0.000 2.595 235 H HA 0.240 4.797 4.556 0.003 0.000 0.313 235 H C -0.847 174.483 175.328 0.003 0.000 1.023 235 H CA -1.251 54.818 56.048 0.035 0.000 1.218 235 H CB 0.514 30.309 29.762 0.056 0.000 1.403 235 H HN 0.394 nan 8.280 nan 0.000 0.477 236 I N 5.075 125.653 120.570 0.012 0.000 2.331 236 I HA 0.055 4.226 4.170 0.003 0.000 0.292 236 I C 0.700 176.701 176.117 -0.193 0.000 0.998 236 I CA -0.677 60.549 61.300 -0.124 0.000 1.267 236 I CB 1.109 39.035 38.000 -0.124 0.000 1.386 236 I HN 0.595 nan 8.210 nan 0.000 0.476 237 T N 5.527 119.930 114.554 -0.252 0.000 2.963 237 T HA 0.581 4.933 4.350 0.003 0.000 0.343 237 T C -2.361 172.283 174.700 -0.094 0.000 1.146 237 T CA -1.638 60.351 62.100 -0.185 0.000 1.016 237 T CB 1.176 69.895 68.868 -0.249 0.000 1.046 237 T HN 0.354 nan 8.240 nan 0.000 0.496 238 P HA 0.373 nan 4.420 nan 0.000 0.278 238 P C -0.597 176.689 177.300 -0.022 0.000 1.258 238 P CA -0.800 62.284 63.100 -0.028 0.000 0.811 238 P CB 1.166 32.879 31.700 0.020 0.000 1.063 239 K N 1.782 122.163 120.400 -0.033 0.000 2.379 239 K HA 0.218 4.539 4.320 0.003 0.000 0.284 239 K C -2.074 174.494 176.600 -0.052 0.000 1.044 239 K CA -1.387 54.876 56.287 -0.040 0.000 0.974 239 K CB -0.595 31.887 32.500 -0.029 0.000 0.962 239 K HN 0.353 nan 8.250 nan 0.000 0.474 240 P HA -0.136 nan 4.420 nan 0.000 0.264 240 P C -0.655 176.571 177.300 -0.124 0.000 1.179 240 P CA 0.655 63.600 63.100 -0.258 0.000 0.763 240 P CB 0.440 31.589 31.700 -0.917 0.000 0.806 241 Q N -0.816 118.998 119.800 0.023 0.000 2.464 241 Q HA -0.155 4.186 4.340 0.003 0.000 0.246 241 Q C 0.250 176.424 176.000 0.290 0.000 0.763 241 Q CA 1.422 57.319 55.803 0.157 0.000 1.233 241 Q CB -2.694 26.137 28.738 0.153 0.000 1.361 241 Q HN 0.726 nan 8.270 nan 0.000 0.699 242 T N -4.722 109.962 114.554 0.216 0.000 3.145 242 T HA 0.120 4.472 4.350 0.003 0.000 0.281 242 T C 0.750 175.519 174.700 0.116 0.000 1.003 242 T CA 0.062 62.266 62.100 0.173 0.000 0.901 242 T CB 0.338 69.188 68.868 -0.030 0.000 1.112 242 T HN 0.089 nan 8.240 nan 0.000 0.535 243 D N 1.749 122.279 120.400 0.217 0.000 2.133 243 D HA -0.119 4.523 4.640 0.003 0.000 0.195 243 D C 2.047 178.468 176.300 0.202 0.000 0.997 243 D CA 1.102 55.275 54.000 0.288 0.000 0.840 243 D CB 0.059 41.046 40.800 0.313 0.000 0.947 243 D HN 0.265 nan 8.370 nan 0.000 0.452 244 V N 1.895 121.930 119.914 0.202 0.000 2.282 244 V HA -0.307 3.815 4.120 0.003 0.000 0.249 244 V C 2.676 178.885 176.094 0.192 0.000 1.057 244 V CA 1.993 64.425 62.300 0.219 0.000 1.032 244 V CB -0.806 31.244 31.823 0.378 0.000 0.645 244 V HN 0.199 nan 8.190 nan 0.000 0.447 245 A N -0.236 122.581 122.820 -0.004 0.000 1.917 245 A HA -0.240 4.081 4.320 0.003 0.000 0.219 245 A C 2.166 179.769 177.584 0.032 0.000 1.182 245 A CA 2.304 54.228 52.037 -0.188 0.000 0.633 245 A CB -0.601 17.883 19.000 -0.859 0.000 0.819 245 A HN 0.541 nan 8.150 nan 0.000 0.448 246 I N -1.017 119.592 120.570 0.065 0.000 2.179 246 I HA -0.316 3.856 4.170 0.003 0.000 0.242 246 I C 2.774 179.045 176.117 0.257 0.000 1.088 246 I CA 1.653 63.052 61.300 0.164 0.000 1.357 246 I CB -0.450 37.700 38.000 0.250 0.000 1.051 246 I HN 0.377 nan 8.210 nan 0.000 0.409 247 M N 0.335 120.099 119.600 0.274 0.000 2.073 247 M HA -0.274 4.207 4.480 0.003 0.000 0.258 247 M C 2.421 178.857 176.300 0.226 0.000 1.070 247 M CA 2.056 57.490 55.300 0.224 0.000 1.103 247 M CB -0.544 32.092 32.600 0.059 0.000 1.321 247 M HN 0.237 nan 8.290 nan 0.000 0.405 248 L N -0.579 120.791 121.223 0.245 0.000 2.083 248 L HA -0.149 4.193 4.340 0.003 0.000 0.209 248 L C 2.645 179.638 176.870 0.206 0.000 1.083 248 L CA 1.295 56.285 54.840 0.251 0.000 0.752 248 L CB -1.135 41.087 42.059 0.272 0.000 0.899 248 L HN 0.450 nan 8.230 nan 0.000 0.433 249 G N -0.670 108.265 108.800 0.225 0.000 2.443 249 G HA2 -0.216 3.746 3.960 0.003 0.000 0.219 249 G HA3 -0.216 3.746 3.960 0.003 0.000 0.219 249 G C 1.617 176.616 174.900 0.165 0.000 1.131 249 G CA 0.436 45.642 45.100 0.176 0.000 0.775 249 G HN 0.219 nan 8.290 nan 0.000 0.547 250 M N 0.551 120.259 119.600 0.179 0.000 2.193 250 M HA 0.130 4.611 4.480 0.003 0.000 0.265 250 M C 3.050 179.447 176.300 0.162 0.000 1.071 250 M CA 1.138 56.536 55.300 0.163 0.000 1.140 250 M CB -0.120 32.609 32.600 0.216 0.000 1.369 250 M HN 0.280 nan 8.290 nan 0.000 0.423 251 A N -0.223 122.708 122.820 0.183 0.000 1.877 251 A HA -0.224 4.097 4.320 0.003 0.000 0.216 251 A C 2.072 179.718 177.584 0.103 0.000 1.186 251 A CA 1.743 53.878 52.037 0.164 0.000 0.620 251 A CB -1.248 17.895 19.000 0.239 0.000 0.822 251 A HN 0.545 nan 8.150 nan 0.000 0.443 252 H N 0.194 119.268 119.070 0.007 0.000 2.319 252 H HA -0.128 4.429 4.556 0.003 0.000 0.299 252 H C 2.005 177.325 175.328 -0.015 0.000 1.092 252 H CA 2.220 58.236 56.048 -0.054 0.000 1.302 252 H CB -0.438 29.267 29.762 -0.094 0.000 1.373 252 H HN 0.411 nan 8.280 nan 0.000 0.497 253 T N 1.918 116.580 114.554 0.181 0.000 2.720 253 T HA -0.135 4.217 4.350 0.003 0.000 0.268 253 T C 2.477 177.200 174.700 0.039 0.000 1.037 253 T CA 1.393 63.560 62.100 0.112 0.000 1.144 253 T CB -0.330 68.599 68.868 0.101 0.000 0.864 253 T HN 0.250 nan 8.240 nan 0.000 0.444 254 L N 0.417 121.676 121.223 0.060 0.000 2.046 254 L HA -0.088 4.253 4.340 0.003 0.000 0.208 254 L C 2.639 179.593 176.870 0.140 0.000 1.077 254 L CA 0.930 55.834 54.840 0.107 0.000 0.747 254 L CB -0.633 41.511 42.059 0.142 0.000 0.896 254 L HN 0.163 nan 8.230 nan 0.000 0.432 255 V N -0.156 119.753 119.914 -0.008 0.000 2.283 255 V HA -0.196 3.925 4.120 0.003 0.000 0.243 255 V C 2.736 178.814 176.094 -0.028 0.000 1.039 255 V CA 1.617 63.921 62.300 0.006 0.000 1.016 255 V CB -0.688 31.022 31.823 -0.188 0.000 0.650 255 V HN 0.445 nan 8.190 nan 0.000 0.449 256 A N -0.154 122.542 122.820 -0.206 0.000 1.948 256 A HA -0.251 4.070 4.320 0.003 0.000 0.220 256 A C 1.906 179.471 177.584 -0.032 0.000 1.177 256 A CA 1.980 53.920 52.037 -0.163 0.000 0.636 256 A CB -0.401 18.472 19.000 -0.211 0.000 0.815 256 A HN 0.690 nan 8.150 nan 0.000 0.449 257 E N -1.103 119.102 120.200 0.009 0.000 2.444 257 E HA 0.126 4.477 4.350 0.003 0.000 0.191 257 E C -0.383 176.245 176.600 0.046 0.000 1.041 257 E CA 0.210 56.627 56.400 0.027 0.000 0.883 257 E CB 0.030 29.748 29.700 0.030 0.000 1.024 257 E HN 0.519 nan 8.360 nan 0.000 0.470 258 D N 0.565 121.011 120.400 0.077 0.000 2.708 258 D HA -0.197 4.444 4.640 0.003 0.000 0.236 258 D C 0.322 176.661 176.300 0.065 0.000 1.146 258 D CA 0.466 54.520 54.000 0.091 0.000 0.662 258 D CB -1.026 39.794 40.800 0.033 0.000 1.059 258 D HN 0.301 nan 8.370 nan 0.000 0.428 259 L N -0.538 120.758 121.223 0.123 0.000 2.513 259 L HA 0.092 4.433 4.340 0.003 0.000 0.222 259 L C 1.317 178.241 176.870 0.090 0.000 1.096 259 L CA -0.297 54.593 54.840 0.082 0.000 0.857 259 L CB -0.309 41.805 42.059 0.091 0.000 1.026 259 L HN 0.290 nan 8.230 nan 0.000 0.469 260 Y N -1.112 119.203 120.300 0.025 0.000 2.330 260 Y HA 0.168 4.720 4.550 0.002 0.000 0.341 260 Y C 0.423 176.330 175.900 0.012 0.000 1.278 260 Y CA -1.459 56.651 58.100 0.018 0.000 1.453 260 Y CB -0.026 38.445 38.460 0.018 0.000 1.342 260 Y HN -0.130 nan 8.280 nan 0.000 0.590 261 D N 2.132 122.546 120.400 0.024 0.000 2.508 261 D HA 0.042 4.684 4.640 0.003 0.000 0.224 261 D C 0.368 176.638 176.300 -0.050 0.000 1.171 261 D CA 0.020 54.008 54.000 -0.020 0.000 1.006 261 D CB 0.218 41.068 40.800 0.084 0.000 1.073 261 D HN 0.729 nan 8.370 nan 0.000 0.513 262 K N 1.283 121.497 120.400 -0.310 0.000 2.152 262 K HA -0.154 4.168 4.320 0.003 0.000 0.206 262 K C 1.028 177.612 176.600 -0.027 0.000 1.048 262 K CA 0.852 57.020 56.287 -0.199 0.000 0.933 262 K CB 0.343 32.689 32.500 -0.257 0.000 0.721 262 K HN 0.353 nan 8.250 nan 0.000 0.447 263 D N 0.714 121.117 120.400 0.004 0.000 2.117 263 D HA -0.138 4.504 4.640 0.003 0.000 0.198 263 D C 1.787 178.141 176.300 0.091 0.000 0.982 263 D CA 0.883 54.902 54.000 0.032 0.000 0.828 263 D CB -0.305 40.517 40.800 0.036 0.000 0.967 263 D HN 0.087 nan 8.370 nan 0.000 0.464 264 F N 1.780 121.784 119.950 0.090 0.000 2.095 264 F HA -0.224 4.304 4.527 0.002 0.000 0.298 264 F C 2.252 178.163 175.800 0.185 0.000 1.104 264 F CA 1.116 59.246 58.000 0.217 0.000 1.232 264 F CB -0.065 39.005 39.000 0.117 0.000 0.987 264 F HN -0.160 nan 8.300 nan 0.000 0.475 265 I N 0.508 121.234 120.570 0.260 0.000 2.163 265 I HA -0.313 3.859 4.170 0.003 0.000 0.243 265 I C 2.716 178.853 176.117 0.034 0.000 1.085 265 I CA 1.629 62.997 61.300 0.114 0.000 1.347 265 I CB -2.022 35.955 38.000 -0.039 0.000 1.044 265 I HN 0.249 nan 8.210 nan 0.000 0.408 266 A N 0.944 123.769 122.820 0.007 0.000 1.898 266 A HA -0.173 4.149 4.320 0.003 0.000 0.216 266 A C 1.967 179.473 177.584 -0.130 0.000 1.181 266 A CA 1.676 53.695 52.037 -0.030 0.000 0.620 266 A CB -0.520 18.464 19.000 -0.027 0.000 0.819 266 A HN 0.470 nan 8.150 nan 0.000 0.442 267 N N -2.110 116.426 118.700 -0.273 0.000 2.392 267 N HA 0.048 4.790 4.740 0.003 0.000 0.177 267 N C 0.252 175.323 175.510 -0.732 0.000 1.066 267 N CA 0.838 53.571 53.050 -0.528 0.000 0.895 267 N CB 0.023 38.020 38.487 -0.816 0.000 0.988 267 N HN 0.640 nan 8.380 nan 0.000 0.457 268 Y N -0.295 119.767 120.300 -0.396 0.000 2.527 268 Y HA 0.194 4.746 4.550 0.002 0.000 0.247 268 Y C 0.974 176.874 175.900 0.001 0.000 1.138 268 Y CA -0.401 57.492 58.100 -0.344 0.000 1.228 268 Y CB 0.553 38.455 38.460 -0.930 0.000 1.252 268 Y HN -0.111 nan 8.280 nan 0.000 0.531 269 T N -2.823 111.802 114.554 0.118 0.000 2.907 269 T HA 0.723 5.074 4.350 0.003 0.000 0.290 269 T C -0.551 174.241 174.700 0.152 0.000 1.066 269 T CA -0.854 61.358 62.100 0.187 0.000 1.012 269 T CB 2.195 71.190 68.868 0.212 0.000 1.184 269 T HN -0.083 nan 8.240 nan 0.000 0.522 270 S N -1.030 114.779 115.700 0.182 0.000 2.548 270 S HA 0.630 5.102 4.470 0.003 0.000 0.276 270 S C 0.817 175.549 174.600 0.220 0.000 1.129 270 S CA 0.547 58.850 58.200 0.172 0.000 0.931 270 S CB 0.800 64.089 63.200 0.148 0.000 1.068 270 S HN 2.474 nan 8.310 nan 0.000 0.480 271 G N 3.081 112.004 108.800 0.205 0.000 2.195 271 G HA2 -0.275 3.687 3.960 0.003 0.000 0.246 271 G HA3 -0.275 3.687 3.960 0.003 0.000 0.246 271 G C 0.640 175.687 174.900 0.245 0.000 0.984 271 G CA 0.398 45.633 45.100 0.226 0.000 0.633 271 G HN 0.998 nan 8.290 nan 0.000 0.525 272 F N 2.877 122.903 119.950 0.126 0.000 2.202 272 F HA -0.058 4.471 4.527 0.003 0.000 0.301 272 F C 2.465 178.331 175.800 0.111 0.000 1.082 272 F CA 2.376 60.467 58.000 0.151 0.000 1.313 272 F CB 0.017 39.111 39.000 0.156 0.000 1.024 272 F HN 0.389 nan 8.300 nan 0.000 0.495 273 D N -0.198 120.255 120.400 0.088 0.000 2.309 273 D HA -0.206 4.436 4.640 0.003 0.000 0.212 273 D C 1.508 177.721 176.300 -0.144 0.000 0.968 273 D CA 1.093 55.063 54.000 -0.049 0.000 0.882 273 D CB -0.532 40.273 40.800 0.009 0.000 0.918 273 D HN 0.373 nan 8.370 nan 0.000 0.503 274 K N -1.060 119.256 120.400 -0.139 0.000 2.361 274 K HA 0.077 4.398 4.320 0.003 0.000 0.194 274 K C 1.366 177.856 176.600 -0.185 0.000 1.032 274 K CA -0.132 56.022 56.287 -0.221 0.000 1.048 274 K CB 0.126 32.325 32.500 -0.502 0.000 0.842 274 K HN 0.071 nan 8.250 nan 0.000 0.526 275 F N 0.985 120.711 119.950 -0.374 0.000 2.387 275 F HA 0.045 4.573 4.527 0.003 0.000 0.294 275 F C 1.573 177.079 175.800 -0.490 0.000 1.093 275 F CA 0.199 57.877 58.000 -0.537 0.000 1.420 275 F CB 0.005 38.761 39.000 -0.407 0.000 1.086 275 F HN -0.179 nan 8.300 nan 0.000 0.531 276 L N 1.707 122.516 121.223 -0.690 0.000 2.021 276 L HA -0.160 4.182 4.340 0.003 0.000 0.215 276 L C -0.683 175.887 176.870 -0.499 0.000 1.074 276 L CA 2.432 56.848 54.840 -0.707 0.000 0.760 276 L CB -1.985 39.740 42.059 -0.555 0.000 0.889 276 L HN 0.045 nan 8.230 nan 0.000 0.433 277 P HA -0.246 nan 4.420 nan 0.000 0.214 277 P C 1.555 178.703 177.300 -0.252 0.000 1.163 277 P CA 1.557 64.511 63.100 -0.242 0.000 0.883 277 P CB -0.297 31.307 31.700 -0.160 0.000 0.788 278 Y N 0.321 120.391 120.300 -0.382 0.000 2.165 278 Y HA -0.198 4.353 4.550 0.003 0.000 0.286 278 Y C 2.143 177.782 175.900 -0.434 0.000 1.155 278 Y CA 1.242 59.143 58.100 -0.332 0.000 1.164 278 Y CB -1.130 37.187 38.460 -0.238 0.000 0.978 278 Y HN -0.227 nan 8.280 nan 0.000 0.513 279 L N 0.649 121.411 121.223 -0.769 0.000 2.046 279 L HA -0.208 4.133 4.340 0.003 0.000 0.208 279 L C 1.724 178.308 176.870 -0.476 0.000 1.077 279 L CA 2.208 56.598 54.840 -0.749 0.000 0.747 279 L CB -0.855 40.726 42.059 -0.797 0.000 0.896 279 L HN 0.198 nan 8.230 nan 0.000 0.432 280 D N -0.718 119.451 120.400 -0.387 0.000 2.317 280 D HA 0.088 4.729 4.640 0.003 0.000 0.211 280 D C 1.758 177.914 176.300 -0.240 0.000 0.966 280 D CA 1.123 54.982 54.000 -0.234 0.000 0.876 280 D CB 0.189 40.861 40.800 -0.215 0.000 0.927 280 D HN 0.517 nan 8.370 nan 0.000 0.519 281 G N 0.749 109.353 108.800 -0.327 0.000 2.179 281 G HA2 -0.298 3.664 3.960 0.003 0.000 0.220 281 G HA3 -0.298 3.664 3.960 0.003 0.000 0.220 281 G C 0.998 175.788 174.900 -0.184 0.000 0.990 281 G CA 0.333 45.261 45.100 -0.286 0.000 0.646 281 G HN 0.353 nan 8.290 nan 0.000 0.517 282 E N 0.146 120.250 120.200 -0.161 0.000 2.118 282 E HA -0.140 4.211 4.350 0.003 0.000 0.195 282 E C 2.669 179.224 176.600 -0.074 0.000 0.992 282 E CA 1.914 58.249 56.400 -0.107 0.000 0.804 282 E CB -0.136 29.500 29.700 -0.107 0.000 0.741 282 E HN 0.740 nan 8.360 nan 0.000 0.458 283 T N -1.032 113.486 114.554 -0.061 0.000 3.035 283 T HA -0.052 4.300 4.350 0.003 0.000 0.259 283 T C 1.052 175.755 174.700 0.005 0.000 1.078 283 T CA 1.052 63.149 62.100 -0.005 0.000 1.132 283 T CB 0.135 69.041 68.868 0.063 0.000 0.900 283 T HN 0.113 nan 8.240 nan 0.000 0.480 284 D N -0.831 119.552 120.400 -0.027 0.000 2.539 284 D HA 0.269 4.910 4.640 0.003 0.000 0.232 284 D C 0.513 176.782 176.300 -0.050 0.000 1.256 284 D CA -0.107 53.886 54.000 -0.013 0.000 0.810 284 D CB -0.319 40.495 40.800 0.024 0.000 1.090 284 D HN 0.186 nan 8.370 nan 0.000 0.519 285 S N -0.899 114.753 115.700 -0.080 0.000 3.476 285 S HA -0.145 4.327 4.470 0.003 0.000 0.309 285 S C -0.108 174.419 174.600 -0.122 0.000 1.222 285 S CA 1.262 59.410 58.200 -0.086 0.000 0.922 285 S CB -1.721 61.450 63.200 -0.047 0.000 1.023 285 S HN 0.552 nan 8.310 nan 0.000 0.591 286 T N 2.580 117.013 114.554 -0.202 0.000 3.141 286 T HA 0.384 4.735 4.350 0.003 0.000 0.377 286 T C -2.769 171.628 174.700 -0.505 0.000 1.258 286 T CA -1.082 60.841 62.100 -0.296 0.000 1.263 286 T CB 1.532 70.242 68.868 -0.264 0.000 1.066 286 T HN -0.025 nan 8.240 nan 0.000 0.546 287 P HA 0.110 nan 4.420 nan 0.000 0.265 287 P C -0.156 176.711 177.300 -0.721 0.000 1.193 287 P CA -0.428 62.399 63.100 -0.456 0.000 0.765 287 P CB 0.628 32.165 31.700 -0.270 0.000 0.823 288 K N 1.915 121.824 120.400 -0.819 0.000 2.758 288 K HA 0.153 4.475 4.320 0.003 0.000 0.250 288 K C 0.722 176.977 176.600 -0.574 0.000 1.268 288 K CA -0.023 55.667 56.287 -0.996 0.000 1.228 288 K CB -1.034 30.871 32.500 -0.991 0.000 1.715 288 K HN 0.503 nan 8.250 nan 0.000 0.334 289 T N -2.983 111.225 114.554 -0.577 0.000 2.754 289 T HA 0.323 4.674 4.350 0.003 0.000 0.286 289 T C 1.667 176.338 174.700 -0.049 0.000 0.997 289 T CA -0.077 61.714 62.100 -0.515 0.000 0.982 289 T CB 1.238 69.879 68.868 -0.379 0.000 1.027 289 T HN 0.217 nan 8.240 nan 0.000 0.529 290 A N 0.868 123.678 122.820 -0.016 0.000 1.873 290 A HA -0.149 4.173 4.320 0.003 0.000 0.218 290 A C 2.222 179.816 177.584 0.017 0.000 1.193 290 A CA 2.256 54.312 52.037 0.030 0.000 0.629 290 A CB -1.441 17.573 19.000 0.024 0.000 0.826 290 A HN 0.974 nan 8.150 nan 0.000 0.447 291 E N -1.287 118.915 120.200 0.003 0.000 2.065 291 E HA -0.279 4.073 4.350 0.003 0.000 0.201 291 E C 1.626 178.237 176.600 0.019 0.000 1.016 291 E CA 1.894 58.293 56.400 -0.000 0.000 0.818 291 E CB -0.457 29.242 29.700 -0.001 0.000 0.749 291 E HN 0.874 nan 8.360 nan 0.000 0.453 292 W N 0.886 122.093 121.300 -0.156 0.000 2.358 292 W HA -0.164 4.498 4.660 0.002 0.000 0.303 292 W C 2.101 178.512 176.519 -0.180 0.000 1.208 292 W CA 1.899 59.146 57.345 -0.163 0.000 1.274 292 W CB -0.246 29.099 29.460 -0.193 0.000 1.138 292 W HN 0.044 nan 8.180 nan 0.000 0.515 293 A N 0.005 122.772 122.820 -0.087 0.000 2.168 293 A HA -0.138 4.183 4.320 0.003 0.000 0.215 293 A C 1.919 179.308 177.584 -0.326 0.000 1.152 293 A CA 1.536 53.334 52.037 -0.398 0.000 0.716 293 A CB -0.849 18.119 19.000 -0.053 0.000 0.794 293 A HN 0.616 nan 8.150 nan 0.000 0.465 294 E N -0.189 119.888 120.200 -0.206 0.000 2.216 294 E HA -0.024 4.327 4.350 0.003 0.000 0.192 294 E C 1.912 178.389 176.600 -0.204 0.000 0.988 294 E CA 0.791 57.092 56.400 -0.165 0.000 0.834 294 E CB -0.370 29.270 29.700 -0.099 0.000 0.772 294 E HN 0.440 nan 8.360 nan 0.000 0.479 295 G N 1.447 110.091 108.800 -0.259 0.000 2.408 295 G HA2 -0.172 3.789 3.960 0.003 0.000 0.217 295 G HA3 -0.172 3.789 3.960 0.003 0.000 0.217 295 G C 1.569 176.293 174.900 -0.292 0.000 1.150 295 G CA 0.651 45.605 45.100 -0.244 0.000 0.776 295 G HN 0.225 nan 8.290 nan 0.000 0.542 296 I N 1.280 121.566 120.570 -0.474 0.000 2.339 296 I HA -0.068 4.104 4.170 0.003 0.000 0.245 296 I C 2.905 178.844 176.117 -0.298 0.000 1.096 296 I CA 1.631 62.652 61.300 -0.465 0.000 1.408 296 I CB -0.342 37.101 38.000 -0.929 0.000 1.092 296 I HN 0.362 nan 8.210 nan 0.000 0.423 297 S N -0.129 115.394 115.700 -0.296 0.000 2.503 297 S HA 0.195 4.667 4.470 0.003 0.000 0.215 297 S C 1.689 176.217 174.600 -0.121 0.000 1.003 297 S CA 0.566 58.662 58.200 -0.174 0.000 0.910 297 S CB 0.710 63.814 63.200 -0.160 0.000 0.790 297 S HN 0.574 nan 8.310 nan 0.000 0.514 298 G N 0.578 109.300 108.800 -0.130 0.000 2.179 298 G HA2 -0.236 3.725 3.960 0.003 0.000 0.260 298 G HA3 -0.236 3.725 3.960 0.003 0.000 0.260 298 G C 0.045 174.892 174.900 -0.088 0.000 0.977 298 G CA 0.115 45.157 45.100 -0.098 0.000 0.641 298 G HN 0.715 nan 8.290 nan 0.000 0.533 299 V N 2.522 122.380 119.914 -0.093 0.000 2.461 299 V HA 0.409 4.531 4.120 0.003 0.000 0.275 299 V C -1.476 174.574 176.094 -0.074 0.000 1.047 299 V CA -1.461 60.791 62.300 -0.080 0.000 0.955 299 V CB 1.364 33.142 31.823 -0.074 0.000 0.988 299 V HN 0.115 nan 8.190 nan 0.000 0.471 300 P HA 0.030 nan 4.420 nan 0.000 0.264 300 P C 0.562 177.833 177.300 -0.049 0.000 1.183 300 P CA 0.237 63.304 63.100 -0.054 0.000 0.763 300 P CB 0.669 32.341 31.700 -0.047 0.000 0.807 301 A N 4.167 126.961 122.820 -0.043 0.000 1.933 301 A HA -0.207 4.114 4.320 0.003 0.000 0.218 301 A C 1.946 179.514 177.584 -0.027 0.000 1.175 301 A CA 1.400 53.419 52.037 -0.031 0.000 0.628 301 A CB -0.830 18.156 19.000 -0.024 0.000 0.814 301 A HN 0.478 nan 8.150 nan 0.000 0.444 302 E N -0.609 119.574 120.200 -0.029 0.000 2.204 302 E HA -0.101 4.250 4.350 0.003 0.000 0.194 302 E C 1.992 178.567 176.600 -0.043 0.000 0.989 302 E CA 1.384 57.766 56.400 -0.030 0.000 0.824 302 E CB -0.480 29.204 29.700 -0.026 0.000 0.756 302 E HN 0.570 nan 8.360 nan 0.000 0.477 303 T N 1.167 115.691 114.554 -0.050 0.000 2.812 303 T HA -0.022 4.330 4.350 0.003 0.000 0.264 303 T C 2.054 176.704 174.700 -0.083 0.000 1.042 303 T CA 0.538 62.598 62.100 -0.067 0.000 1.140 303 T CB -0.057 68.773 68.868 -0.063 0.000 0.870 303 T HN 0.099 nan 8.240 nan 0.000 0.445 304 I N 0.749 121.283 120.570 -0.060 0.000 2.099 304 I HA -0.231 3.941 4.170 0.003 0.000 0.239 304 I C 2.552 178.634 176.117 -0.058 0.000 1.066 304 I CA 1.526 62.798 61.300 -0.046 0.000 1.324 304 I CB -0.309 37.688 38.000 -0.006 0.000 1.037 304 I HN 0.173 nan 8.210 nan 0.000 0.401 305 K N 0.660 121.039 120.400 -0.035 0.000 2.044 305 K HA -0.232 4.089 4.320 0.003 0.000 0.210 305 K C 2.065 178.617 176.600 -0.079 0.000 1.049 305 K CA 1.811 58.079 56.287 -0.032 0.000 0.927 305 K CB -0.198 32.296 32.500 -0.011 0.000 0.713 305 K HN 0.340 nan 8.250 nan 0.000 0.443 306 E N 0.318 120.464 120.200 -0.091 0.000 2.085 306 E HA -0.203 4.149 4.350 0.003 0.000 0.194 306 E C 1.904 178.375 176.600 -0.215 0.000 0.994 306 E CA 0.831 57.162 56.400 -0.115 0.000 0.801 306 E CB -0.008 29.640 29.700 -0.088 0.000 0.743 306 E HN 0.082 nan 8.360 nan 0.000 0.453 307 L N 0.663 121.704 121.223 -0.305 0.000 2.046 307 L HA -0.161 4.181 4.340 0.003 0.000 0.208 307 L C 2.352 178.659 176.870 -0.940 0.000 1.077 307 L CA 1.815 56.257 54.840 -0.663 0.000 0.747 307 L CB -1.368 40.338 42.059 -0.588 0.000 0.896 307 L HN 0.069 nan 8.230 nan 0.000 0.432 308 A N -0.444 122.104 122.820 -0.453 0.000 1.883 308 A HA -0.234 4.088 4.320 0.003 0.000 0.217 308 A C 2.436 179.943 177.584 -0.128 0.000 1.186 308 A CA 1.746 53.653 52.037 -0.218 0.000 0.624 308 A CB -0.436 18.541 19.000 -0.039 0.000 0.822 308 A HN 0.402 nan 8.150 nan 0.000 0.444 309 R N -1.183 119.247 120.500 -0.116 0.000 2.115 309 R HA -0.003 4.338 4.340 0.003 0.000 0.230 309 R C 2.051 178.329 176.300 -0.037 0.000 1.111 309 R CA 1.148 57.221 56.100 -0.044 0.000 0.976 309 R CB -0.463 29.816 30.300 -0.035 0.000 0.870 309 R HN 0.480 nan 8.270 nan 0.000 0.445 310 L N 0.112 121.269 121.223 -0.110 0.000 2.093 310 L HA -0.079 4.263 4.340 0.003 0.000 0.208 310 L C 1.642 178.604 176.870 0.154 0.000 1.085 310 L CA 1.671 56.499 54.840 -0.020 0.000 0.755 310 L CB -0.293 41.723 42.059 -0.072 0.000 0.904 310 L HN -0.020 nan 8.230 nan 0.000 0.435 311 F N 0.077 120.041 119.950 0.023 0.000 2.186 311 F HA -0.110 4.419 4.527 0.003 0.000 0.299 311 F C 2.599 178.410 175.800 0.018 0.000 1.090 311 F CA 1.294 59.309 58.000 0.026 0.000 1.307 311 F CB -1.103 37.930 39.000 0.054 0.000 1.019 311 F HN 0.248 nan 8.300 nan 0.000 0.489 312 E N 0.208 120.529 120.200 0.202 0.000 2.285 312 E HA -0.092 4.259 4.350 0.003 0.000 0.194 312 E C 1.855 178.501 176.600 0.078 0.000 0.997 312 E CA 1.061 57.532 56.400 0.119 0.000 0.845 312 E CB -0.137 29.620 29.700 0.096 0.000 0.782 312 E HN 0.228 nan 8.360 nan 0.000 0.491 313 S N -1.354 114.390 115.700 0.074 0.000 2.539 313 S HA 0.277 4.749 4.470 0.003 0.000 0.221 313 S C 0.451 175.077 174.600 0.044 0.000 0.987 313 S CA -0.615 57.613 58.200 0.047 0.000 0.929 313 S CB 0.408 63.628 63.200 0.035 0.000 0.832 313 S HN -0.144 nan 8.310 nan 0.000 0.492 314 K N 1.471 121.907 120.400 0.060 0.000 2.350 314 K HA 0.465 4.787 4.320 0.003 0.000 0.241 314 K C -0.850 175.767 176.600 0.029 0.000 0.994 314 K CA -0.858 55.456 56.287 0.045 0.000 0.839 314 K CB 1.392 33.928 32.500 0.060 0.000 1.244 314 K HN 0.081 nan 8.250 nan 0.000 0.443 315 R N 0.870 121.374 120.500 0.005 0.000 2.291 315 R HA 0.174 4.515 4.340 0.003 0.000 0.333 315 R C -0.948 175.329 176.300 -0.038 0.000 1.082 315 R CA 0.449 56.539 56.100 -0.017 0.000 0.948 315 R CB -0.415 29.872 30.300 -0.021 0.000 1.009 315 R HN 0.432 nan 8.270 nan 0.000 0.460 316 T N 5.535 120.056 114.554 -0.054 0.000 2.807 316 T HA 0.370 4.722 4.350 0.003 0.000 0.279 316 T C -0.748 173.867 174.700 -0.141 0.000 0.993 316 T CA -0.583 61.450 62.100 -0.112 0.000 0.970 316 T CB 1.097 69.886 68.868 -0.131 0.000 0.950 316 T HN 0.522 nan 8.240 nan 0.000 0.441 317 M N 4.553 124.043 119.600 -0.182 0.000 2.149 317 M HA 0.474 4.956 4.480 0.003 0.000 0.342 317 M C -1.538 174.655 176.300 -0.177 0.000 1.068 317 M CA -0.859 54.344 55.300 -0.162 0.000 0.991 317 M CB 0.188 32.666 32.600 -0.202 0.000 1.596 317 M HN 0.477 nan 8.290 nan 0.000 0.439 318 L N 5.630 126.818 121.223 -0.058 0.000 2.288 318 L HA 0.574 4.916 4.340 0.003 0.000 0.283 318 L C -0.095 176.863 176.870 0.147 0.000 1.072 318 L CA -0.725 54.125 54.840 0.016 0.000 0.862 318 L CB 0.362 42.462 42.059 0.069 0.000 1.245 318 L HN 0.911 nan 8.230 nan 0.000 0.432 319 A N 3.438 126.324 122.820 0.109 0.000 2.316 319 A HA 0.733 5.054 4.320 0.003 0.000 0.311 319 A C 0.203 177.989 177.584 0.337 0.000 1.339 319 A CA -0.283 51.920 52.037 0.277 0.000 0.960 319 A CB 0.518 19.650 19.000 0.220 0.000 1.152 319 A HN 0.693 nan 8.150 nan 0.000 0.547 320 A N 2.567 125.584 122.820 0.328 0.000 2.337 320 A HA 0.807 5.128 4.320 0.003 0.000 0.329 320 A C 0.603 178.252 177.584 0.108 0.000 1.146 320 A CA 0.029 52.247 52.037 0.301 0.000 0.800 320 A CB 0.938 20.146 19.000 0.346 0.000 1.220 320 A HN 1.372 nan 8.150 nan 0.000 0.472 321 G N -0.450 108.326 108.800 -0.041 0.000 2.557 321 G HA2 0.442 4.404 3.960 0.003 0.000 0.292 321 G HA3 0.442 4.404 3.960 0.003 0.000 0.292 321 G C -0.059 174.849 174.900 0.014 0.000 1.237 321 G CA -0.300 44.487 45.100 -0.521 0.000 0.978 321 G HN 0.747 nan 8.290 nan 0.000 0.498 322 W N -0.332 120.974 121.300 0.010 0.000 3.103 322 W HA 0.144 4.805 4.660 0.002 0.000 0.325 322 W C 2.363 178.974 176.519 0.153 0.000 1.170 322 W CA 0.138 57.568 57.345 0.143 0.000 1.712 322 W CB -0.959 28.569 29.460 0.114 0.000 1.068 322 W HN 0.643 nan 8.180 nan 0.000 0.592 323 S N 1.450 117.324 115.700 0.289 0.000 2.370 323 S HA -0.277 4.194 4.470 0.003 0.000 0.226 323 S C 1.802 176.552 174.600 0.249 0.000 1.033 323 S CA 1.701 60.050 58.200 0.249 0.000 1.011 323 S CB -0.979 62.343 63.200 0.204 0.000 0.852 323 S HN 0.370 nan 8.310 nan 0.000 0.457 324 M N 0.778 120.520 119.600 0.236 0.000 2.632 324 M HA 0.042 4.523 4.480 0.003 0.000 0.256 324 M C 1.398 177.801 176.300 0.172 0.000 1.080 324 M CA 1.403 56.809 55.300 0.178 0.000 1.084 324 M CB -0.719 31.948 32.600 0.112 0.000 1.439 324 M HN 0.468 nan 8.290 nan 0.000 0.509 325 Q N 0.512 120.468 119.800 0.260 0.000 2.247 325 Q HA 0.225 4.567 4.340 0.003 0.000 0.211 325 Q C 1.107 177.214 176.000 0.180 0.000 0.861 325 Q CA 0.052 55.991 55.803 0.227 0.000 0.949 325 Q CB 0.045 28.981 28.738 0.329 0.000 1.115 325 Q HN 0.571 nan 8.270 nan 0.000 0.507 326 R N 0.872 121.489 120.500 0.196 0.000 3.351 326 R HA 0.439 4.781 4.340 0.003 0.000 0.296 326 R C -0.907 175.483 176.300 0.151 0.000 1.427 326 R CA 0.055 56.258 56.100 0.171 0.000 1.257 326 R CB 0.026 30.459 30.300 0.221 0.000 1.378 326 R HN 0.255 nan 8.270 nan 0.000 0.610 327 M N -0.990 118.692 119.600 0.137 0.000 2.575 327 M HA 0.208 4.689 4.480 0.003 0.000 0.284 327 M C -0.600 175.769 176.300 0.116 0.000 1.253 327 M CA -0.966 54.414 55.300 0.133 0.000 0.861 327 M CB 2.152 34.849 32.600 0.161 0.000 1.733 327 M HN 0.136 nan 8.290 nan 0.000 0.462 328 H N 0.914 119.945 119.070 -0.065 0.000 3.140 328 H HA -0.052 4.505 4.556 0.003 0.000 0.316 328 H C -0.359 174.818 175.328 -0.252 0.000 0.986 328 H CA 1.505 57.402 56.048 -0.251 0.000 1.397 328 H CB 0.167 29.728 29.762 -0.335 0.000 1.377 328 H HN 0.785 nan 8.280 nan 0.000 0.585 329 H N 0.634 119.654 119.070 -0.084 0.000 2.862 329 H HA -0.167 4.391 4.556 0.002 0.000 0.290 329 H C 1.538 176.868 175.328 0.002 0.000 1.211 329 H CA 0.216 56.192 56.048 -0.121 0.000 1.140 329 H CB -1.482 28.140 29.762 -0.233 0.000 1.341 329 H HN 0.883 nan 8.280 nan 0.000 0.392 330 G N 0.372 109.238 108.800 0.109 0.000 2.470 330 G HA2 -0.234 3.727 3.960 0.003 0.000 0.220 330 G HA3 -0.234 3.727 3.960 0.003 0.000 0.220 330 G C 1.364 176.345 174.900 0.135 0.000 1.121 330 G CA 1.146 46.320 45.100 0.124 0.000 0.766 330 G HN 0.488 nan 8.290 nan 0.000 0.553 331 E N 0.512 120.791 120.200 0.132 0.000 2.204 331 E HA -0.092 4.260 4.350 0.003 0.000 0.195 331 E C 2.650 179.375 176.600 0.208 0.000 0.990 331 E CA 0.855 57.336 56.400 0.134 0.000 0.821 331 E CB -0.063 29.702 29.700 0.108 0.000 0.750 331 E HN 0.346 nan 8.360 nan 0.000 0.477 332 Q N 0.077 120.002 119.800 0.209 0.000 2.119 332 Q HA -0.011 4.331 4.340 0.003 0.000 0.201 332 Q C 2.272 178.355 176.000 0.138 0.000 0.972 332 Q CA 1.383 57.315 55.803 0.215 0.000 0.847 332 Q CB -0.513 28.305 28.738 0.132 0.000 0.903 332 Q HN 0.343 nan 8.270 nan 0.000 0.433 333 A N 0.779 123.628 122.820 0.048 0.000 1.883 333 A HA -0.223 4.099 4.320 0.003 0.000 0.217 333 A C 1.709 179.126 177.584 -0.279 0.000 1.186 333 A CA 1.895 53.844 52.037 -0.146 0.000 0.624 333 A CB -0.809 18.046 19.000 -0.241 0.000 0.822 333 A HN 0.461 nan 8.150 nan 0.000 0.444 334 H N -3.617 115.474 119.070 0.034 0.000 2.482 334 H HA -0.061 4.497 4.556 0.003 0.000 0.286 334 H C 1.718 177.049 175.328 0.006 0.000 1.017 334 H CA 0.895 56.932 56.048 -0.018 0.000 1.322 334 H CB -0.047 29.714 29.762 -0.002 0.000 1.426 334 H HN 0.679 nan 8.280 nan 0.000 0.546 335 W N 1.280 122.553 121.300 -0.044 0.000 2.333 335 W HA -0.243 4.418 4.660 0.003 0.000 0.316 335 W C 2.236 178.664 176.519 -0.152 0.000 1.215 335 W CA 1.524 58.812 57.345 -0.095 0.000 1.278 335 W CB -0.723 28.690 29.460 -0.078 0.000 1.154 335 W HN 0.213 nan 8.180 nan 0.000 0.486 336 M N 0.069 119.720 119.600 0.085 0.000 2.213 336 M HA -0.149 4.332 4.480 0.003 0.000 0.263 336 M C 2.148 178.373 176.300 -0.124 0.000 1.062 336 M CA 1.566 56.818 55.300 -0.080 0.000 1.105 336 M CB -1.086 31.492 32.600 -0.036 0.000 1.385 336 M HN 0.010 nan 8.290 nan 0.000 0.417 337 L N -0.942 120.174 121.223 -0.180 0.000 2.201 337 L HA -0.085 4.257 4.340 0.003 0.000 0.212 337 L C 1.845 178.548 176.870 -0.278 0.000 1.105 337 L CA 1.004 55.685 54.840 -0.265 0.000 0.775 337 L CB -0.226 41.650 42.059 -0.306 0.000 0.913 337 L HN 0.144 nan 8.230 nan 0.000 0.440 338 V N -1.031 118.702 119.914 -0.302 0.000 2.591 338 V HA -0.191 3.931 4.120 0.003 0.000 0.249 338 V C 2.388 178.365 176.094 -0.196 0.000 1.053 338 V CA 1.969 64.009 62.300 -0.434 0.000 1.068 338 V CB -0.416 31.147 31.823 -0.433 0.000 0.689 338 V HN 0.505 nan 8.190 nan 0.000 0.462 339 T N 0.588 115.070 114.554 -0.120 0.000 2.737 339 T HA -0.150 4.201 4.350 0.003 0.000 0.265 339 T C 1.914 176.584 174.700 -0.050 0.000 1.038 339 T CA 1.662 63.702 62.100 -0.099 0.000 1.144 339 T CB -0.304 68.406 68.868 -0.264 0.000 0.866 339 T HN 0.296 nan 8.240 nan 0.000 0.434 340 L N 1.657 122.853 121.223 -0.044 0.000 2.012 340 L HA -0.024 4.317 4.340 0.003 0.000 0.210 340 L C 2.554 179.420 176.870 -0.007 0.000 1.073 340 L CA 2.043 56.895 54.840 0.020 0.000 0.748 340 L CB -0.990 41.094 42.059 0.040 0.000 0.891 340 L HN 0.232 nan 8.230 nan 0.000 0.431 341 A N -1.892 120.883 122.820 -0.074 0.000 1.969 341 A HA -0.138 4.184 4.320 0.003 0.000 0.218 341 A C 2.393 179.889 177.584 -0.146 0.000 1.169 341 A CA 1.704 53.694 52.037 -0.077 0.000 0.635 341 A CB -0.797 18.180 19.000 -0.039 0.000 0.810 341 A HN 0.523 nan 8.150 nan 0.000 0.445 342 S N -0.319 115.313 115.700 -0.114 0.000 2.356 342 S HA -0.156 4.315 4.470 0.003 0.000 0.223 342 S C 1.984 176.536 174.600 -0.079 0.000 1.032 342 S CA 1.845 59.992 58.200 -0.087 0.000 1.005 342 S CB -0.394 62.871 63.200 0.108 0.000 0.867 342 S HN 0.610 nan 8.310 nan 0.000 0.449 343 M N 0.903 120.487 119.600 -0.026 0.000 2.279 343 M HA -0.025 4.457 4.480 0.003 0.000 0.264 343 M C 1.524 177.856 176.300 0.054 0.000 1.062 343 M CA 1.124 56.442 55.300 0.030 0.000 1.099 343 M CB -0.508 32.105 32.600 0.022 0.000 1.394 343 M HN 0.238 nan 8.290 nan 0.000 0.426 344 L N -0.526 120.686 121.223 -0.018 0.000 2.478 344 L HA 0.123 4.465 4.340 0.003 0.000 0.223 344 L C 1.394 178.187 176.870 -0.128 0.000 1.140 344 L CA 0.282 55.112 54.840 -0.015 0.000 0.842 344 L CB -1.005 41.056 42.059 0.004 0.000 0.953 344 L HN 0.574 nan 8.230 nan 0.000 0.452 345 G N 0.977 109.569 108.800 -0.346 0.000 2.283 345 G HA2 -0.322 3.640 3.960 0.003 0.000 0.280 345 G HA3 -0.322 3.640 3.960 0.003 0.000 0.280 345 G C 0.558 175.160 174.900 -0.497 0.000 1.029 345 G CA 0.569 45.283 45.100 -0.644 0.000 0.840 345 G HN 0.572 nan 8.290 nan 0.000 0.505 346 Q N -1.063 118.503 119.800 -0.391 0.000 2.219 346 Q HA 0.371 4.713 4.340 0.003 0.000 0.209 346 Q C 1.232 177.099 176.000 -0.221 0.000 0.854 346 Q CA -0.367 55.300 55.803 -0.227 0.000 0.960 346 Q CB 0.856 29.520 28.738 -0.124 0.000 1.116 346 Q HN 0.705 nan 8.270 nan 0.000 0.500 347 I N 1.092 121.450 120.570 -0.353 0.000 2.683 347 I HA -0.051 4.121 4.170 0.003 0.000 0.286 347 I C 1.234 177.316 176.117 -0.057 0.000 1.175 347 I CA 1.068 62.264 61.300 -0.174 0.000 1.429 347 I CB 0.382 38.292 38.000 -0.150 0.000 1.371 347 I HN 0.484 nan 8.210 nan 0.000 0.569 348 G N 5.204 114.005 108.800 0.002 0.000 2.176 348 G HA2 -0.237 3.724 3.960 0.003 0.000 0.253 348 G HA3 -0.237 3.724 3.960 0.003 0.000 0.253 348 G C 0.015 174.902 174.900 -0.020 0.000 0.979 348 G CA -0.418 44.708 45.100 0.044 0.000 0.641 348 G HN 0.460 nan 8.290 nan 0.000 0.530 349 L N 1.245 122.440 121.223 -0.047 0.000 2.360 349 L HA 0.469 4.811 4.340 0.003 0.000 0.271 349 L C -1.828 175.008 176.870 -0.058 0.000 1.057 349 L CA -2.404 52.409 54.840 -0.046 0.000 0.803 349 L CB 1.324 43.356 42.059 -0.045 0.000 1.207 349 L HN -0.159 nan 8.230 nan 0.000 0.445 350 P HA 0.057 nan 4.420 nan 0.000 0.262 350 P C 0.633 177.904 177.300 -0.048 0.000 1.199 350 P CA 0.562 63.632 63.100 -0.050 0.000 0.763 350 P CB 0.577 32.260 31.700 -0.029 0.000 0.790 351 G N 2.113 110.879 108.800 -0.058 0.000 2.157 351 G HA2 -0.085 3.877 3.960 0.003 0.000 0.248 351 G HA3 -0.085 3.877 3.960 0.003 0.000 0.248 351 G C 0.368 175.224 174.900 -0.074 0.000 0.979 351 G CA -0.228 44.835 45.100 -0.061 0.000 0.650 351 G HN 0.913 nan 8.290 nan 0.000 0.529 352 G N -2.179 106.577 108.800 -0.073 0.000 2.730 352 G HA2 0.960 4.921 3.960 0.003 0.000 0.289 352 G HA3 0.960 4.921 3.960 0.003 0.000 0.289 352 G C 0.626 175.482 174.900 -0.075 0.000 1.341 352 G CA 0.934 45.989 45.100 -0.076 0.000 0.932 352 G HN 1.958 nan 8.290 nan 0.000 0.481 353 G N -0.977 107.790 108.800 -0.055 0.000 2.594 353 G HA2 0.428 4.389 3.960 0.003 0.000 0.217 353 G HA3 0.428 4.389 3.960 0.003 0.000 0.217 353 G C -0.377 174.596 174.900 0.122 0.000 1.163 353 G CA 0.388 45.490 45.100 0.003 0.000 1.074 353 G HN 2.159 nan 8.290 nan 0.000 0.589 354 F N -0.621 119.313 119.950 -0.025 0.000 2.626 354 F HA 0.855 5.384 4.527 0.003 0.000 0.311 354 F C 0.019 175.868 175.800 0.082 0.000 1.088 354 F CA -0.589 57.426 58.000 0.026 0.000 0.949 354 F CB 1.666 40.673 39.000 0.011 0.000 1.322 354 F HN 1.453 nan 8.300 nan 0.000 0.461 355 G N 1.653 110.551 108.800 0.163 0.000 2.719 355 G HA2 0.538 4.500 3.960 0.003 0.000 0.298 355 G HA3 0.538 4.500 3.960 0.003 0.000 0.298 355 G C -1.089 173.915 174.900 0.173 0.000 1.433 355 G CA -0.895 44.198 45.100 -0.012 0.000 1.034 355 G HN 0.861 nan 8.290 nan 0.000 0.517 356 L N 1.323 122.629 121.223 0.140 0.000 2.769 356 L HA 0.323 4.665 4.340 0.003 0.000 0.240 356 L C 1.411 178.488 176.870 0.345 0.000 1.163 356 L CA 0.132 55.152 54.840 0.301 0.000 0.962 356 L CB 1.029 43.275 42.059 0.312 0.000 1.258 356 L HN 0.540 nan 8.230 nan 0.000 0.513 357 S N -1.626 114.111 115.700 0.062 0.000 3.041 357 S HA 0.191 4.662 4.470 0.003 0.000 0.250 357 S C 0.552 175.065 174.600 -0.145 0.000 0.898 357 S CA -0.367 57.838 58.200 0.009 0.000 1.100 357 S CB 0.067 63.371 63.200 0.173 0.000 1.149 357 S HN 0.258 nan 8.310 nan 0.000 0.540 358 Y N 1.619 121.984 120.300 0.109 0.000 2.561 358 Y HA 0.124 4.675 4.550 0.002 0.000 0.291 358 Y C 2.272 178.309 175.900 0.228 0.000 1.141 358 Y CA 1.174 59.345 58.100 0.119 0.000 1.303 358 Y CB -0.061 38.482 38.460 0.138 0.000 1.015 358 Y HN 0.672 nan 8.280 nan 0.000 0.547 359 H N -3.341 115.821 119.070 0.153 0.000 2.586 359 H HA 0.125 4.683 4.556 0.003 0.000 0.273 359 H C -0.767 174.599 175.328 0.063 0.000 0.997 359 H CA -0.138 55.939 56.048 0.047 0.000 1.177 359 H CB -0.488 29.225 29.762 -0.081 0.000 1.471 359 H HN 0.267 nan 8.280 nan 0.000 0.538 360 Y N 1.725 121.655 120.300 -0.617 0.000 2.350 360 Y HA 0.369 4.920 4.550 0.003 0.000 0.338 360 Y C 0.194 176.171 175.900 0.129 0.000 0.961 360 Y CA -0.913 57.003 58.100 -0.307 0.000 1.100 360 Y CB 1.427 39.602 38.460 -0.474 0.000 1.179 360 Y HN 0.189 nan 8.280 nan 0.000 0.454 361 S N 4.077 119.546 115.700 -0.386 0.000 3.427 361 S HA -0.214 4.257 4.470 0.003 0.000 0.373 361 S C 1.131 175.833 174.600 0.170 0.000 0.973 361 S CA 1.405 59.481 58.200 -0.207 0.000 1.218 361 S CB -1.814 61.077 63.200 -0.516 0.000 0.912 361 S HN 2.007 nan 8.310 nan 0.000 0.483 362 G N -0.314 108.617 108.800 0.217 0.000 2.168 362 G HA2 -0.144 3.817 3.960 0.003 0.000 0.257 362 G HA3 -0.144 3.817 3.960 0.003 0.000 0.257 362 G C 0.475 175.582 174.900 0.345 0.000 0.997 362 G CA 0.212 45.503 45.100 0.319 0.000 0.708 362 G HN 1.685 nan 8.290 nan 0.000 0.520 363 G N -1.138 107.768 108.800 0.177 0.000 2.224 363 G HA2 0.466 4.427 3.960 0.003 0.000 0.239 363 G HA3 0.466 4.427 3.960 0.003 0.000 0.239 363 G C 1.506 176.294 174.900 -0.187 0.000 1.240 363 G CA 1.595 46.454 45.100 -0.401 0.000 0.896 363 G HN 1.945 nan 8.290 nan 0.000 0.496 364 G N 1.374 110.011 108.800 -0.272 0.000 2.213 364 G HA2 -0.245 3.717 3.960 0.003 0.000 0.236 364 G HA3 -0.245 3.717 3.960 0.003 0.000 0.236 364 G C 0.617 175.595 174.900 0.131 0.000 0.991 364 G CA 0.425 45.400 45.100 -0.208 0.000 0.629 364 G HN 1.150 nan 8.290 nan 0.000 0.517 365 T N 4.082 118.822 114.554 0.311 0.000 2.834 365 T HA 0.470 4.821 4.350 0.003 0.000 0.298 365 T C -2.162 172.684 174.700 0.243 0.000 0.966 365 T CA -0.390 61.936 62.100 0.376 0.000 1.141 365 T CB 1.428 70.499 68.868 0.339 0.000 0.905 365 T HN 0.119 nan 8.240 nan 0.000 0.535 366 P HA 0.068 nan 4.420 nan 0.000 0.261 366 P C -0.303 177.084 177.300 0.145 0.000 1.183 366 P CA 0.103 63.307 63.100 0.172 0.000 0.761 366 P CB 0.279 32.081 31.700 0.171 0.000 0.785 367 S N 1.558 117.316 115.700 0.098 0.000 2.592 367 S HA 0.343 4.814 4.470 0.003 0.000 0.271 367 S C 0.848 175.500 174.600 0.086 0.000 1.326 367 S CA -0.346 57.903 58.200 0.081 0.000 1.024 367 S CB 0.190 63.394 63.200 0.006 0.000 0.921 367 S HN 0.605 nan 8.310 nan 0.000 0.527 368 T N -1.176 113.440 114.554 0.103 0.000 2.880 368 T HA 0.394 4.746 4.350 0.003 0.000 0.279 368 T C 0.920 175.646 174.700 0.042 0.000 0.990 368 T CA -0.315 61.853 62.100 0.113 0.000 0.938 368 T CB 0.821 69.817 68.868 0.213 0.000 1.206 368 T HN 0.489 nan 8.240 nan 0.000 0.573 369 S N -1.326 114.384 115.700 0.017 0.000 2.572 369 S HA 0.391 4.862 4.470 0.003 0.000 0.228 369 S C 1.110 175.599 174.600 -0.185 0.000 0.963 369 S CA -0.479 57.688 58.200 -0.056 0.000 0.939 369 S CB -0.597 62.588 63.200 -0.025 0.000 0.804 369 S HN 1.106 nan 8.310 nan 0.000 0.480 370 G N 3.105 111.711 108.800 -0.322 0.000 2.636 370 G HA2 0.462 4.423 3.960 0.003 0.000 0.246 370 G HA3 0.462 4.423 3.960 0.003 0.000 0.246 370 G C -2.361 172.168 174.900 -0.617 0.000 1.216 370 G CA -1.180 43.365 45.100 -0.924 0.000 0.854 370 G HN 0.292 nan 8.290 nan 0.000 0.572 371 P HA 0.385 nan 4.420 nan 0.000 0.274 371 P C -0.480 176.680 177.300 -0.235 0.000 1.256 371 P CA -0.247 62.645 63.100 -0.347 0.000 0.795 371 P CB 0.992 32.511 31.700 -0.301 0.000 1.038 372 A N 1.233 123.968 122.820 -0.143 0.000 2.309 372 A HA 0.468 4.790 4.320 0.003 0.000 0.298 372 A C -0.460 177.082 177.584 -0.071 0.000 1.165 372 A CA -0.511 51.475 52.037 -0.084 0.000 0.821 372 A CB -0.158 18.797 19.000 -0.075 0.000 1.102 372 A HN 0.546 nan 8.150 nan 0.000 0.500 373 L N 2.384 123.583 121.223 -0.041 0.000 2.312 373 L HA 0.735 5.077 4.340 0.003 0.000 0.281 373 L C 0.296 177.115 176.870 -0.085 0.000 1.070 373 L CA 0.310 55.128 54.840 -0.037 0.000 0.805 373 L CB 1.148 43.213 42.059 0.011 0.000 1.174 373 L HN 0.875 nan 8.230 nan 0.000 0.434 374 A N 2.916 125.660 122.820 -0.127 0.000 2.387 374 A HA 0.981 5.303 4.320 0.003 0.000 0.303 374 A C -0.243 177.035 177.584 -0.509 0.000 1.145 374 A CA 0.025 51.931 52.037 -0.219 0.000 0.801 374 A CB 1.335 20.249 19.000 -0.143 0.000 1.342 374 A HN 0.929 nan 8.150 nan 0.000 0.440 375 G N -1.031 107.357 108.800 -0.687 0.000 3.021 375 G HA2 0.522 4.483 3.960 0.003 0.000 0.290 375 G HA3 0.522 4.483 3.960 0.003 0.000 0.290 375 G C -0.525 173.848 174.900 -0.879 0.000 1.291 375 G CA -0.721 43.541 45.100 -1.397 0.000 0.834 375 G HN 0.830 nan 8.290 nan 0.000 0.564 376 I N 1.005 121.171 120.570 -0.672 0.000 2.948 376 I HA 0.257 4.429 4.170 0.003 0.000 0.290 376 I C 1.109 177.065 176.117 -0.269 0.000 1.226 376 I CA 0.363 61.458 61.300 -0.342 0.000 1.413 376 I CB 1.146 38.841 38.000 -0.508 0.000 1.352 376 I HN 0.694 nan 8.210 nan 0.000 0.597 377 T N 1.122 115.562 114.554 -0.190 0.000 2.940 377 T HA 0.297 4.648 4.350 0.003 0.000 0.288 377 T C 0.239 174.847 174.700 -0.154 0.000 1.045 377 T CA -0.502 61.513 62.100 -0.141 0.000 1.018 377 T CB 1.573 70.397 68.868 -0.074 0.000 1.151 377 T HN 0.632 nan 8.240 nan 0.000 0.529 378 D N -1.119 119.210 120.400 -0.118 0.000 2.349 378 D HA 0.242 4.883 4.640 0.003 0.000 0.224 378 D C 1.729 177.995 176.300 -0.058 0.000 1.029 378 D CA 0.590 54.525 54.000 -0.108 0.000 0.879 378 D CB -0.631 40.120 40.800 -0.082 0.000 0.906 378 D HN 1.149 nan 8.370 nan 0.000 0.528 379 G N -0.399 108.374 108.800 -0.044 0.000 2.328 379 G HA2 -0.275 3.687 3.960 0.003 0.000 0.256 379 G HA3 -0.275 3.687 3.960 0.003 0.000 0.256 379 G C 0.865 175.766 174.900 0.001 0.000 1.014 379 G CA 0.346 45.437 45.100 -0.014 0.000 0.620 379 G HN 0.829 nan 8.290 nan 0.000 0.530 395 S N -0.742 114.998 115.700 0.067 0.000 2.503 395 S HA 0.412 4.884 4.470 0.003 0.000 0.215 395 S C 0.345 174.984 174.600 0.064 0.000 1.003 395 S CA 0.714 58.932 58.200 0.029 0.000 0.910 395 S CB 0.013 63.189 63.200 -0.040 0.000 0.790 395 S HN 1.229 nan 8.310 nan 0.000 0.514 396 V N 3.213 123.194 119.914 0.111 0.000 2.735 396 V HA 0.640 4.761 4.120 0.003 0.000 0.310 396 V C -0.393 175.810 176.094 0.181 0.000 1.061 396 V CA -1.077 61.302 62.300 0.131 0.000 0.913 396 V CB 1.748 33.636 31.823 0.109 0.000 1.005 396 V HN 0.543 nan 8.190 nan 0.000 0.428 397 I N 1.275 121.932 120.570 0.145 0.000 2.828 397 I HA 0.714 4.885 4.170 0.003 0.000 0.302 397 I C -2.805 173.251 176.117 -0.102 0.000 1.101 397 I CA -2.894 58.432 61.300 0.043 0.000 1.031 397 I CB 2.665 40.664 38.000 -0.001 0.000 1.231 397 I HN 0.355 nan 8.210 nan 0.000 0.427 398 P HA -0.033 nan 4.420 nan 0.000 0.260 398 P C 1.312 178.461 177.300 -0.251 0.000 1.185 398 P CA -0.150 62.680 63.100 -0.449 0.000 0.763 398 P CB 0.749 32.025 31.700 -0.707 0.000 0.776 399 V N 2.739 122.550 119.914 -0.173 0.000 2.250 399 V HA -0.349 3.772 4.120 0.003 0.000 0.253 399 V C 2.050 178.060 176.094 -0.139 0.000 1.065 399 V CA 2.393 64.639 62.300 -0.089 0.000 1.039 399 V CB -2.357 29.386 31.823 -0.134 0.000 0.647 399 V HN 0.497 nan 8.190 nan 0.000 0.446 400 A N -0.146 122.477 122.820 -0.329 0.000 2.248 400 A HA 0.006 4.328 4.320 0.003 0.000 0.210 400 A C 1.977 179.540 177.584 -0.035 0.000 1.174 400 A CA 0.864 52.788 52.037 -0.187 0.000 0.750 400 A CB -0.530 18.259 19.000 -0.352 0.000 0.780 400 A HN 0.585 nan 8.150 nan 0.000 0.478 401 R N -0.507 119.898 120.500 -0.158 0.000 2.391 401 R HA 0.095 4.436 4.340 0.003 0.000 0.249 401 R C 1.419 177.513 176.300 -0.343 0.000 0.957 401 R CA 0.399 56.372 56.100 -0.212 0.000 1.093 401 R CB -0.648 29.498 30.300 -0.256 0.000 1.156 401 R HN 0.394 nan 8.270 nan 0.000 0.526 402 V N 0.355 120.085 119.914 -0.307 0.000 2.392 402 V HA -0.207 3.914 4.120 0.003 0.000 0.249 402 V C 1.901 177.704 176.094 -0.486 0.000 1.059 402 V CA 1.722 63.743 62.300 -0.464 0.000 1.051 402 V CB 0.066 31.690 31.823 -0.332 0.000 0.658 402 V HN 0.088 nan 8.190 nan 0.000 0.455 403 V N 0.051 119.750 119.914 -0.359 0.000 2.488 403 V HA -0.120 4.001 4.120 0.003 0.000 0.246 403 V C 2.340 178.236 176.094 -0.330 0.000 1.046 403 V CA 2.056 64.197 62.300 -0.265 0.000 1.053 403 V CB -0.648 31.129 31.823 -0.077 0.000 0.679 403 V HN 0.562 nan 8.190 nan 0.000 0.458 404 D N -0.274 119.905 120.400 -0.368 0.000 2.149 404 D HA -0.226 4.416 4.640 0.003 0.000 0.198 404 D C 2.043 177.809 176.300 -0.891 0.000 0.990 404 D CA 1.664 55.388 54.000 -0.461 0.000 0.839 404 D CB -0.167 40.415 40.800 -0.364 0.000 0.948 404 D HN 0.399 nan 8.370 nan 0.000 0.460 405 M N 0.225 119.108 119.600 -1.195 0.000 2.067 405 M HA -0.163 4.319 4.480 0.003 0.000 0.260 405 M C 2.093 178.000 176.300 -0.655 0.000 1.069 405 M CA 1.300 55.819 55.300 -1.303 0.000 1.117 405 M CB -0.066 31.966 32.600 -0.945 0.000 1.334 405 M HN -0.044 nan 8.290 nan 0.000 0.407 406 L N -0.057 120.851 121.223 -0.525 0.000 2.083 406 L HA -0.210 4.131 4.340 0.003 0.000 0.209 406 L C 2.180 178.882 176.870 -0.280 0.000 1.083 406 L CA 1.493 56.097 54.840 -0.393 0.000 0.752 406 L CB -0.694 41.110 42.059 -0.425 0.000 0.899 406 L HN 0.399 nan 8.230 nan 0.000 0.433 407 E N -0.222 119.820 120.200 -0.264 0.000 2.285 407 E HA -0.046 4.306 4.350 0.003 0.000 0.194 407 E C 0.167 176.692 176.600 -0.126 0.000 0.997 407 E CA 0.420 56.719 56.400 -0.168 0.000 0.845 407 E CB 0.246 29.863 29.700 -0.138 0.000 0.782 407 E HN 0.437 nan 8.360 nan 0.000 0.491 408 N N 1.203 119.811 118.700 -0.154 0.000 2.723 408 N HA 0.155 4.896 4.740 0.003 0.000 0.290 408 N C -2.792 172.759 175.510 0.068 0.000 1.882 408 N CA -1.000 52.042 53.050 -0.013 0.000 0.851 408 N CB 1.260 39.799 38.487 0.088 0.000 1.234 408 N HN 0.014 nan 8.380 nan 0.000 0.491 409 P HA 0.069 nan 4.420 nan 0.000 0.264 409 P C 1.113 178.478 177.300 0.108 0.000 1.193 409 P CA 1.040 64.173 63.100 0.055 0.000 0.763 409 P CB 0.772 32.468 31.700 -0.007 0.000 0.810 410 G N 2.174 111.063 108.800 0.149 0.000 2.336 410 G HA2 -0.245 3.717 3.960 0.003 0.000 0.233 410 G HA3 -0.245 3.717 3.960 0.003 0.000 0.233 410 G C 0.459 175.432 174.900 0.122 0.000 1.053 410 G CA 0.143 45.308 45.100 0.110 0.000 0.625 410 G HN 0.876 nan 8.290 nan 0.000 0.511 411 A N 0.590 123.523 122.820 0.188 0.000 2.425 411 A HA 0.573 4.894 4.320 0.003 0.000 0.242 411 A C 0.445 178.071 177.584 0.070 0.000 1.077 411 A CA 0.637 52.773 52.037 0.164 0.000 0.781 411 A CB 0.243 19.388 19.000 0.242 0.000 1.020 411 A HN 0.533 nan 8.150 nan 0.000 0.494 412 E N -0.570 119.623 120.200 -0.011 0.000 2.318 412 E HA 0.577 4.928 4.350 0.003 0.000 0.265 412 E C -0.998 175.528 176.600 -0.123 0.000 1.069 412 E CA -0.040 56.276 56.400 -0.140 0.000 0.893 412 E CB 1.085 30.717 29.700 -0.113 0.000 1.076 412 E HN 0.565 nan 8.360 nan 0.000 0.414 413 F N -1.240 118.507 119.950 -0.339 0.000 2.668 413 F HA 0.441 4.970 4.527 0.002 0.000 0.309 413 F C -1.073 174.642 175.800 -0.141 0.000 1.117 413 F CA -1.211 56.623 58.000 -0.276 0.000 0.951 413 F CB 1.163 39.876 39.000 -0.479 0.000 1.323 413 F HN 0.114 nan 8.300 nan 0.000 0.451 414 D N 1.884 122.291 120.400 0.012 0.000 2.177 414 D HA 0.396 5.037 4.640 0.003 0.000 0.247 414 D C -1.693 174.731 176.300 0.208 0.000 1.063 414 D CA 0.183 54.174 54.000 -0.014 0.000 0.867 414 D CB 2.382 43.108 40.800 -0.123 0.000 1.168 414 D HN 0.507 nan 8.370 nan 0.000 0.445 415 F N 2.798 122.742 119.950 -0.011 0.000 2.689 415 F HA 0.160 4.688 4.527 0.002 0.000 0.332 415 F C 0.099 175.958 175.800 0.099 0.000 1.209 415 F CA -1.061 56.988 58.000 0.081 0.000 1.028 415 F CB 0.587 39.701 39.000 0.189 0.000 1.291 415 F HN 0.213 nan 8.300 nan 0.000 0.500 416 N N 4.068 122.601 118.700 -0.277 0.000 2.716 416 N HA -0.185 4.557 4.740 0.003 0.000 0.250 416 N C 0.928 176.383 175.510 -0.091 0.000 1.033 416 N CA 2.021 54.901 53.050 -0.282 0.000 0.727 416 N CB -0.961 37.077 38.487 -0.748 0.000 0.950 416 N HN 1.679 nan 8.380 nan 0.000 0.541 417 G N -2.706 106.147 108.800 0.090 0.000 2.176 417 G HA2 -0.278 3.684 3.960 0.003 0.000 0.253 417 G HA3 -0.278 3.684 3.960 0.003 0.000 0.253 417 G C 0.213 175.109 174.900 -0.007 0.000 0.979 417 G CA 1.206 46.300 45.100 -0.011 0.000 0.641 417 G HN 1.329 nan 8.290 nan 0.000 0.530 418 T N -2.332 112.219 114.554 -0.005 0.000 2.940 418 T HA 0.816 5.168 4.350 0.003 0.000 0.288 418 T C -0.340 174.313 174.700 -0.078 0.000 1.045 418 T CA -0.881 61.191 62.100 -0.046 0.000 1.018 418 T CB 2.711 71.539 68.868 -0.068 0.000 1.151 418 T HN 0.327 nan 8.240 nan 0.000 0.529 419 R N 0.503 120.914 120.500 -0.149 0.000 2.561 419 R HA 0.727 5.069 4.340 0.003 0.000 0.297 419 R C -0.978 175.107 176.300 -0.359 0.000 0.969 419 R CA -0.577 55.369 56.100 -0.256 0.000 0.879 419 R CB 2.325 32.531 30.300 -0.157 0.000 1.178 419 R HN 0.898 nan 8.270 nan 0.000 0.445 420 S N 1.461 116.769 115.700 -0.653 0.000 2.794 420 S HA 0.522 4.994 4.470 0.003 0.000 0.299 420 S C -1.156 173.143 174.600 -0.501 0.000 1.179 420 S CA -0.970 56.912 58.200 -0.530 0.000 0.838 420 S CB 2.255 65.168 63.200 -0.479 0.000 1.206 420 S HN 0.368 nan 8.310 nan 0.000 0.523 421 K N 0.177 120.445 120.400 -0.220 0.000 2.259 421 K HA 0.566 4.887 4.320 0.003 0.000 0.252 421 K C -1.541 175.126 176.600 0.112 0.000 0.936 421 K CA -0.528 55.715 56.287 -0.074 0.000 0.810 421 K CB 0.943 33.436 32.500 -0.011 0.000 1.143 421 K HN 0.364 nan 8.250 nan 0.000 0.427 422 F N 4.077 124.162 119.950 0.226 0.000 2.467 422 F HA 0.180 4.709 4.527 0.002 0.000 0.362 422 F C -1.583 174.253 175.800 0.060 0.000 1.090 422 F CA -1.993 56.091 58.000 0.141 0.000 1.202 422 F CB 0.100 39.123 39.000 0.039 0.000 1.113 422 F HN 0.344 nan 8.300 nan 0.000 0.541 423 P HA -0.003 nan 4.420 nan 0.000 0.273 423 P C -0.606 176.734 177.300 0.067 0.000 1.250 423 P CA -0.272 62.907 63.100 0.131 0.000 0.793 423 P CB 0.702 32.472 31.700 0.116 0.000 1.011 424 D N 0.847 121.264 120.400 0.028 0.000 2.518 424 D HA 0.184 4.826 4.640 0.003 0.000 0.230 424 D C -0.598 175.646 176.300 -0.094 0.000 1.138 424 D CA -0.404 53.575 54.000 -0.035 0.000 0.964 424 D CB -0.511 40.277 40.800 -0.019 0.000 1.011 424 D HN -0.119 nan 8.370 nan 0.000 0.517 425 V N 4.398 124.241 119.914 -0.118 0.000 2.614 425 V HA 0.157 4.278 4.120 0.003 0.000 0.291 425 V C 1.409 177.381 176.094 -0.205 0.000 1.049 425 V CA 0.031 62.255 62.300 -0.127 0.000 1.038 425 V CB 1.581 33.332 31.823 -0.121 0.000 0.980 425 V HN 0.402 nan 8.190 nan 0.000 0.481 426 K N 3.397 123.674 120.400 -0.204 0.000 2.464 426 K HA 0.358 4.680 4.320 0.003 0.000 0.206 426 K C -0.008 176.540 176.600 -0.087 0.000 1.186 426 K CA 0.227 56.376 56.287 -0.230 0.000 0.990 426 K CB 1.006 33.234 32.500 -0.452 0.000 1.003 426 K HN 0.661 nan 8.250 nan 0.000 0.562 427 M N 0.480 120.076 119.600 -0.007 0.000 2.446 427 M HA 0.544 5.026 4.480 0.003 0.000 0.294 427 M C -2.027 174.367 176.300 0.157 0.000 1.158 427 M CA -0.608 54.747 55.300 0.091 0.000 0.899 427 M CB 2.498 35.186 32.600 0.147 0.000 1.687 427 M HN -0.028 nan 8.290 nan 0.000 0.455 428 A N 3.120 126.093 122.820 0.256 0.000 2.374 428 A HA 0.697 5.018 4.320 0.003 0.000 0.305 428 A C -2.383 175.544 177.584 0.573 0.000 1.053 428 A CA -0.386 51.912 52.037 0.436 0.000 0.726 428 A CB 1.199 20.479 19.000 0.466 0.000 1.229 428 A HN 0.800 nan 8.150 nan 0.000 0.431 429 Y N 2.635 123.133 120.300 0.330 0.000 2.376 429 Y HA 0.494 5.045 4.550 0.003 0.000 0.326 429 Y C -1.226 174.799 175.900 0.209 0.000 0.970 429 Y CA -1.419 56.819 58.100 0.231 0.000 1.248 429 Y CB 0.840 39.350 38.460 0.084 0.000 1.117 429 Y HN 0.696 nan 8.280 nan 0.000 0.476 430 W N 7.938 129.502 121.300 0.439 0.000 2.475 430 W HA 0.640 5.302 4.660 0.003 0.000 0.317 430 W C -1.341 175.298 176.519 0.200 0.000 1.046 430 W CA -0.800 56.750 57.345 0.341 0.000 1.215 430 W CB 1.684 31.429 29.460 0.474 0.000 1.335 430 W HN 0.382 nan 8.180 nan 0.000 0.471 431 V N 1.837 121.972 119.914 0.368 0.000 2.876 431 V HA 0.883 5.005 4.120 0.003 0.000 0.312 431 V C 0.455 176.728 176.094 0.298 0.000 1.085 431 V CA -0.266 62.190 62.300 0.259 0.000 0.945 431 V CB 1.257 33.153 31.823 0.122 0.000 1.017 431 V HN 1.030 nan 8.190 nan 0.000 0.428 432 G N 1.463 110.417 108.800 0.258 0.000 2.168 432 G HA2 0.114 4.076 3.960 0.003 0.000 0.263 432 G HA3 0.114 4.076 3.960 0.003 0.000 0.263 432 G C 0.673 175.768 174.900 0.324 0.000 0.977 432 G CA 0.449 45.695 45.100 0.243 0.000 0.659 432 G HN 2.227 nan 8.290 nan 0.000 0.533 433 G N -1.306 107.761 108.800 0.444 0.000 2.708 433 G HA2 0.562 4.523 3.960 0.003 0.000 0.289 433 G HA3 0.562 4.523 3.960 0.003 0.000 0.289 433 G C -1.044 173.977 174.900 0.201 0.000 1.416 433 G CA -0.082 45.307 45.100 0.482 0.000 0.829 433 G HN 0.592 nan 8.290 nan 0.000 0.480 434 N N 0.508 119.280 118.700 0.120 0.000 2.733 434 N HA 0.325 5.067 4.740 0.003 0.000 0.271 434 N C -1.720 173.484 175.510 -0.510 0.000 1.720 434 N CA -1.745 51.215 53.050 -0.149 0.000 0.803 434 N CB 1.995 40.458 38.487 -0.040 0.000 1.208 434 N HN 0.130 nan 8.380 nan 0.000 0.498 435 P HA -0.059 nan 4.420 nan 0.000 0.225 435 P C 0.620 177.326 177.300 -0.990 0.000 1.148 435 P CA 0.736 62.949 63.100 -1.478 0.000 0.779 435 P CB -0.039 30.738 31.700 -1.540 0.000 0.780 436 F N -0.946 118.562 119.950 -0.736 0.000 2.693 436 F HA 0.065 4.594 4.527 0.002 0.000 0.303 436 F C 1.859 177.410 175.800 -0.416 0.000 1.143 436 F CA 0.380 58.004 58.000 -0.628 0.000 1.389 436 F CB 0.086 38.712 39.000 -0.624 0.000 1.060 436 F HN -0.247 nan 8.300 nan 0.000 0.535 437 V N -1.802 117.975 119.914 -0.228 0.000 3.193 437 V HA -0.095 4.026 4.120 0.003 0.000 0.237 437 V C 2.114 178.155 176.094 -0.087 0.000 1.447 437 V CA 0.691 62.946 62.300 -0.075 0.000 1.227 437 V CB -0.217 31.649 31.823 0.070 0.000 1.040 437 V HN 0.406 nan 8.190 nan 0.000 0.458 438 H N -0.343 118.631 119.070 -0.160 0.000 2.448 438 H HA 0.032 4.590 4.556 0.003 0.000 0.292 438 H C 1.157 176.321 175.328 -0.273 0.000 1.035 438 H CA 0.617 56.523 56.048 -0.236 0.000 1.349 438 H CB 0.097 29.660 29.762 -0.333 0.000 1.425 438 H HN 0.506 nan 8.280 nan 0.000 0.539 439 H N 1.580 120.503 119.070 -0.245 0.000 2.615 439 H HA 0.147 4.704 4.556 0.003 0.000 0.363 439 H C -0.303 174.957 175.328 -0.113 0.000 1.148 439 H CA -0.330 55.663 56.048 -0.091 0.000 1.401 439 H CB 0.968 30.616 29.762 -0.191 0.000 1.461 439 H HN 0.219 nan 8.280 nan 0.000 0.588 440 Q N 1.555 120.932 119.800 -0.705 0.000 2.306 440 Q HA 0.192 4.534 4.340 0.003 0.000 0.241 440 Q C -0.464 175.337 176.000 -0.331 0.000 0.948 440 Q CA -0.021 55.529 55.803 -0.422 0.000 0.886 440 Q CB 0.491 29.013 28.738 -0.360 0.000 1.227 440 Q HN 0.769 nan 8.270 nan 0.000 0.457 441 D N 0.368 120.642 120.400 -0.210 0.000 3.187 441 D HA -0.176 4.466 4.640 0.003 0.000 0.244 441 D C 0.536 176.735 176.300 -0.168 0.000 1.114 441 D CA 0.270 54.177 54.000 -0.156 0.000 0.920 441 D CB -0.225 40.498 40.800 -0.128 0.000 0.970 441 D HN 0.639 nan 8.370 nan 0.000 0.418 442 R N 1.573 121.942 120.500 -0.219 0.000 2.096 442 R HA -0.106 4.236 4.340 0.003 0.000 0.240 442 R C 1.919 178.087 176.300 -0.220 0.000 1.139 442 R CA 2.268 58.173 56.100 -0.325 0.000 0.952 442 R CB -0.245 29.739 30.300 -0.526 0.000 0.854 442 R HN 0.398 nan 8.270 nan 0.000 0.436 443 N N 0.137 118.769 118.700 -0.113 0.000 2.223 443 N HA -0.193 4.548 4.740 0.003 0.000 0.185 443 N C 1.725 177.214 175.510 -0.034 0.000 1.016 443 N CA 1.364 54.393 53.050 -0.035 0.000 0.863 443 N CB -0.290 38.198 38.487 0.001 0.000 0.983 443 N HN 0.327 nan 8.380 nan 0.000 0.429 444 R N 0.892 121.360 120.500 -0.054 0.000 2.073 444 R HA 0.029 4.370 4.340 0.003 0.000 0.229 444 R C 2.303 178.578 176.300 -0.042 0.000 1.120 444 R CA 0.879 56.956 56.100 -0.039 0.000 0.967 444 R CB -0.169 30.106 30.300 -0.042 0.000 0.862 444 R HN 0.164 nan 8.270 nan 0.000 0.436 445 M N 0.291 119.837 119.600 -0.090 0.000 2.175 445 M HA -0.117 4.365 4.480 0.003 0.000 0.264 445 M C 1.679 177.924 176.300 -0.092 0.000 1.063 445 M CA 1.519 56.744 55.300 -0.126 0.000 1.119 445 M CB 0.085 32.494 32.600 -0.318 0.000 1.377 445 M HN 0.090 nan 8.290 nan 0.000 0.415 446 V N 1.358 121.214 119.914 -0.097 0.000 2.332 446 V HA -0.293 3.828 4.120 0.003 0.000 0.248 446 V C 2.460 178.633 176.094 0.132 0.000 1.055 446 V CA 2.307 64.640 62.300 0.054 0.000 1.038 446 V CB -0.847 31.032 31.823 0.093 0.000 0.651 446 V HN 0.534 nan 8.190 nan 0.000 0.450 447 K N 0.823 121.270 120.400 0.079 0.000 2.031 447 K HA 0.014 4.336 4.320 0.003 0.000 0.205 447 K C 2.069 178.714 176.600 0.076 0.000 1.049 447 K CA 1.606 57.938 56.287 0.075 0.000 0.939 447 K CB -0.682 31.842 32.500 0.040 0.000 0.717 447 K HN 0.338 nan 8.250 nan 0.000 0.438 448 A N 0.303 123.157 122.820 0.058 0.000 1.972 448 A HA -0.163 4.158 4.320 0.003 0.000 0.219 448 A C 2.085 179.692 177.584 0.037 0.000 1.169 448 A CA 1.217 53.262 52.037 0.014 0.000 0.635 448 A CB -1.118 17.860 19.000 -0.037 0.000 0.810 448 A HN 0.637 nan 8.150 nan 0.000 0.446 449 W N 0.800 122.030 121.300 -0.118 0.000 2.424 449 W HA -0.149 4.513 4.660 0.002 0.000 0.264 449 W C 1.645 178.142 176.519 -0.037 0.000 1.229 449 W CA 1.547 58.832 57.345 -0.101 0.000 1.208 449 W CB -0.058 29.378 29.460 -0.039 0.000 1.127 449 W HN 0.587 nan 8.180 nan 0.000 0.588 450 E N -0.053 120.232 120.200 0.142 0.000 2.267 450 E HA -0.237 4.114 4.350 0.003 0.000 0.197 450 E C 2.090 178.693 176.600 0.004 0.000 0.998 450 E CA 0.775 57.225 56.400 0.083 0.000 0.830 450 E CB -0.224 29.521 29.700 0.076 0.000 0.751 450 E HN 0.034 nan 8.360 nan 0.000 0.491 451 K N 0.828 121.186 120.400 -0.069 0.000 2.439 451 K HA -0.032 4.289 4.320 0.003 0.000 0.197 451 K C 0.247 176.753 176.600 -0.158 0.000 1.041 451 K CA 0.189 56.406 56.287 -0.117 0.000 0.970 451 K CB 0.042 32.444 32.500 -0.165 0.000 0.773 451 K HN 0.116 nan 8.250 nan 0.000 0.479 452 L N 1.474 122.576 121.223 -0.202 0.000 2.349 452 L HA 0.107 4.449 4.340 0.003 0.000 0.275 452 L C 1.425 178.282 176.870 -0.021 0.000 1.115 452 L CA -0.278 54.451 54.840 -0.184 0.000 0.820 452 L CB 1.136 42.999 42.059 -0.326 0.000 1.135 452 L HN 0.058 nan 8.230 nan 0.000 0.445 453 E N 0.861 121.073 120.200 0.020 0.000 2.051 453 E HA -0.021 4.331 4.350 0.003 0.000 0.189 453 E C -0.163 176.570 176.600 0.221 0.000 0.979 453 E CA 0.953 57.432 56.400 0.131 0.000 0.803 453 E CB 0.249 30.038 29.700 0.149 0.000 0.761 453 E HN 0.598 nan 8.360 nan 0.000 0.451 454 T N 0.510 115.162 114.554 0.164 0.000 2.848 454 T HA 0.395 4.746 4.350 0.003 0.000 0.285 454 T C -1.422 173.374 174.700 0.160 0.000 0.995 454 T CA -0.567 61.592 62.100 0.099 0.000 0.970 454 T CB 1.430 70.383 68.868 0.141 0.000 0.976 454 T HN -0.041 nan 8.240 nan 0.000 0.441 455 F N 4.190 124.098 119.950 -0.071 0.000 2.553 455 F HA 0.664 5.192 4.527 0.002 0.000 0.335 455 F C -1.273 174.500 175.800 -0.046 0.000 1.148 455 F CA -1.362 56.679 58.000 0.067 0.000 0.963 455 F CB 0.832 40.006 39.000 0.290 0.000 1.217 455 F HN 0.305 nan 8.300 nan 0.000 0.441 456 V N 6.365 126.111 119.914 -0.280 0.000 2.483 456 V HA 0.739 4.861 4.120 0.003 0.000 0.295 456 V C -0.607 175.181 176.094 -0.511 0.000 1.035 456 V CA -0.803 61.180 62.300 -0.529 0.000 0.896 456 V CB 1.649 32.938 31.823 -0.890 0.000 0.986 456 V HN 0.574 nan 8.190 nan 0.000 0.447 457 V N 3.691 123.376 119.914 -0.381 0.000 2.841 457 V HA 0.495 4.617 4.120 0.003 0.000 0.310 457 V C -0.964 175.155 176.094 0.042 0.000 1.090 457 V CA -0.709 61.487 62.300 -0.172 0.000 0.930 457 V CB 2.275 33.895 31.823 -0.338 0.000 1.014 457 V HN 0.979 nan 8.190 nan 0.000 0.425 458 H N 2.733 121.819 119.070 0.027 0.000 2.505 458 H HA 0.684 5.242 4.556 0.002 0.000 0.338 458 H C -0.936 174.373 175.328 -0.031 0.000 1.057 458 H CA -0.705 55.340 56.048 -0.006 0.000 1.202 458 H CB 2.333 32.124 29.762 0.048 0.000 1.466 458 H HN 0.626 nan 8.280 nan 0.000 0.499 459 D N 1.782 122.178 120.400 -0.006 0.000 2.759 459 D HA 0.044 4.686 4.640 0.003 0.000 0.321 459 D C -0.564 175.679 176.300 -0.095 0.000 1.267 459 D CA -0.561 53.372 54.000 -0.112 0.000 0.933 459 D CB 1.695 42.344 40.800 -0.251 0.000 1.431 459 D HN 0.446 nan 8.370 nan 0.000 0.504 460 F N -0.782 119.126 119.950 -0.069 0.000 2.767 460 F HA 0.472 5.000 4.527 0.003 0.000 0.323 460 F C 0.330 176.075 175.800 -0.092 0.000 1.091 460 F CA -0.284 57.666 58.000 -0.083 0.000 1.192 460 F CB 0.344 39.336 39.000 -0.013 0.000 1.056 460 F HN -0.080 nan 8.300 nan 0.000 0.571 461 Q N 0.547 120.186 119.800 -0.268 0.000 2.337 461 Q HA 0.159 4.501 4.340 0.003 0.000 0.266 461 Q C -1.526 174.330 176.000 -0.240 0.000 1.023 461 Q CA -0.543 55.216 55.803 -0.073 0.000 0.829 461 Q CB 1.770 30.583 28.738 0.126 0.000 1.306 461 Q HN 0.504 nan 8.270 nan 0.000 0.449 462 W N 3.174 124.402 121.300 -0.121 0.000 1.282 462 W HA 0.003 4.665 4.660 0.003 0.000 0.527 462 W C 0.926 177.121 176.519 -0.540 0.000 0.616 462 W CA -0.004 57.190 57.345 -0.252 0.000 2.357 462 W CB -0.146 29.227 29.460 -0.145 0.000 1.453 462 W HN 0.395 nan 8.180 nan 0.000 0.188 463 T N -1.388 112.823 114.554 -0.572 0.000 2.788 463 T HA 0.154 4.505 4.350 0.003 0.000 0.287 463 T C -1.476 172.936 174.700 -0.481 0.000 1.007 463 T CA -1.444 60.055 62.100 -1.002 0.000 1.005 463 T CB 1.193 69.605 68.868 -0.760 0.000 1.012 463 T HN -0.081 nan 8.240 nan 0.000 0.530 464 P HA -0.081 nan 4.420 nan 0.000 0.216 464 P C 1.639 178.872 177.300 -0.112 0.000 1.150 464 P CA 1.212 64.251 63.100 -0.101 0.000 0.843 464 P CB -0.326 31.404 31.700 0.051 0.000 0.787 465 T N -0.401 114.044 114.554 -0.181 0.000 2.674 465 T HA -0.171 4.181 4.350 0.003 0.000 0.265 465 T C 1.931 176.550 174.700 -0.135 0.000 1.039 465 T CA 1.816 63.830 62.100 -0.144 0.000 1.150 465 T CB -1.081 67.734 68.868 -0.089 0.000 0.864 465 T HN 0.058 nan 8.240 nan 0.000 0.427 466 A N 1.652 124.370 122.820 -0.170 0.000 1.940 466 A HA -0.132 4.189 4.320 0.003 0.000 0.219 466 A C 2.353 179.975 177.584 0.064 0.000 1.176 466 A CA 1.477 53.400 52.037 -0.190 0.000 0.631 466 A CB -0.539 18.216 19.000 -0.408 0.000 0.814 466 A HN 0.410 nan 8.150 nan 0.000 0.446 467 R N -1.627 118.959 120.500 0.144 0.000 2.152 467 R HA -0.108 4.234 4.340 0.003 0.000 0.232 467 R C 0.954 177.293 176.300 0.065 0.000 1.117 467 R CA 1.363 57.595 56.100 0.221 0.000 0.981 467 R CB -0.273 30.044 30.300 0.030 0.000 0.870 467 R HN 0.693 nan 8.270 nan 0.000 0.451 468 H N -0.781 118.200 119.070 -0.148 0.000 2.519 468 H HA 0.308 4.866 4.556 0.003 0.000 0.289 468 H C -0.024 175.337 175.328 0.054 0.000 1.040 468 H CA -0.048 55.860 56.048 -0.234 0.000 1.165 468 H CB 0.509 29.678 29.762 -0.987 0.000 1.462 468 H HN 0.173 nan 8.280 nan 0.000 0.555 469 A N -0.202 122.690 122.820 0.121 0.000 2.264 469 A HA 0.179 4.500 4.320 0.003 0.000 0.304 469 A C 0.681 178.292 177.584 0.044 0.000 1.100 469 A CA -0.495 51.515 52.037 -0.045 0.000 0.839 469 A CB 0.747 19.569 19.000 -0.296 0.000 1.121 469 A HN 0.282 nan 8.150 nan 0.000 0.496 470 D N -0.367 119.976 120.400 -0.096 0.000 2.216 470 D HA 0.132 4.774 4.640 0.003 0.000 0.208 470 D C 0.051 176.248 176.300 -0.171 0.000 0.960 470 D CA 1.370 55.230 54.000 -0.233 0.000 0.861 470 D CB 0.193 40.542 40.800 -0.751 0.000 0.985 470 D HN 0.472 nan 8.370 nan 0.000 0.493 471 I N 1.323 121.770 120.570 -0.205 0.000 2.447 471 I HA 0.208 4.380 4.170 0.003 0.000 0.287 471 I C -0.872 175.146 176.117 -0.164 0.000 1.023 471 I CA -0.771 60.443 61.300 -0.143 0.000 1.083 471 I CB 2.807 40.696 38.000 -0.186 0.000 1.245 471 I HN -0.394 nan 8.210 nan 0.000 0.434 472 V N 7.106 126.929 119.914 -0.150 0.000 2.448 472 V HA 0.480 4.601 4.120 0.003 0.000 0.295 472 V C -0.154 175.762 176.094 -0.296 0.000 1.025 472 V CA -0.543 61.597 62.300 -0.266 0.000 0.859 472 V CB 1.821 33.384 31.823 -0.433 0.000 0.988 472 V HN 0.477 nan 8.190 nan 0.000 0.431 473 L N 7.140 128.215 121.223 -0.246 0.000 2.305 473 L HA 0.505 4.846 4.340 0.003 0.000 0.284 473 L C -2.373 174.366 176.870 -0.219 0.000 1.013 473 L CA -1.793 52.874 54.840 -0.290 0.000 0.819 473 L CB 2.566 44.487 42.059 -0.229 0.000 1.227 473 L HN 0.407 nan 8.230 nan 0.000 0.417 474 P HA 0.167 nan 4.420 nan 0.000 0.276 474 P C -0.649 176.692 177.300 0.069 0.000 1.264 474 P CA -0.085 62.967 63.100 -0.081 0.000 0.769 474 P CB 1.480 33.144 31.700 -0.060 0.000 0.840 475 A N 4.205 127.063 122.820 0.064 0.000 2.264 475 A HA 0.670 4.992 4.320 0.003 0.000 0.304 475 A C 0.646 178.292 177.584 0.104 0.000 1.100 475 A CA -0.298 51.802 52.037 0.104 0.000 0.839 475 A CB 0.156 19.274 19.000 0.197 0.000 1.121 475 A HN 0.586 nan 8.150 nan 0.000 0.496 476 T N -1.232 113.333 114.554 0.019 0.000 2.881 476 T HA 0.602 4.953 4.350 0.003 0.000 0.278 476 T C 0.554 175.099 174.700 -0.258 0.000 0.982 476 T CA 0.119 62.152 62.100 -0.113 0.000 0.989 476 T CB 0.904 69.686 68.868 -0.144 0.000 1.058 476 T HN 1.077 nan 8.240 nan 0.000 0.529 477 T N -1.236 112.999 114.554 -0.532 0.000 2.849 477 T HA 0.325 4.677 4.350 0.003 0.000 0.276 477 T C 1.410 175.743 174.700 -0.612 0.000 0.971 477 T CA -0.579 61.031 62.100 -0.817 0.000 0.949 477 T CB 0.393 68.729 68.868 -0.886 0.000 1.093 477 T HN 0.468 nan 8.240 nan 0.000 0.545 478 S N -0.146 115.055 115.700 -0.832 0.000 2.474 478 S HA -0.007 4.465 4.470 0.003 0.000 0.235 478 S C 1.225 175.447 174.600 -0.631 0.000 0.997 478 S CA 0.620 58.396 58.200 -0.707 0.000 0.949 478 S CB -0.668 62.133 63.200 -0.665 0.000 0.766 478 S HN 0.738 nan 8.310 nan 0.000 0.517 479 Y N 1.299 121.564 120.300 -0.058 0.000 2.546 479 Y HA 0.225 4.777 4.550 0.002 0.000 0.287 479 Y C 1.410 177.283 175.900 -0.046 0.000 1.158 479 Y CA -0.205 57.894 58.100 -0.001 0.000 1.307 479 Y CB -0.527 37.996 38.460 0.104 0.000 1.036 479 Y HN 0.291 nan 8.280 nan 0.000 0.532 480 E N 1.091 121.235 120.200 -0.092 0.000 2.496 480 E HA 0.204 4.556 4.350 0.003 0.000 0.200 480 E C 0.266 176.796 176.600 -0.117 0.000 1.016 480 E CA -0.277 56.071 56.400 -0.088 0.000 0.962 480 E CB 0.367 29.992 29.700 -0.124 0.000 1.071 480 E HN 0.393 nan 8.360 nan 0.000 0.457 481 R N -0.951 119.475 120.500 -0.124 0.000 2.781 481 R HA 0.381 4.722 4.340 0.003 0.000 0.271 481 R C -1.333 174.960 176.300 -0.012 0.000 1.030 481 R CA -0.917 55.105 56.100 -0.131 0.000 0.894 481 R CB 0.722 30.778 30.300 -0.407 0.000 1.291 481 R HN -0.180 nan 8.270 nan 0.000 0.455 482 N N 0.063 118.827 118.700 0.106 0.000 2.370 482 N HA 0.441 5.183 4.740 0.003 0.000 0.303 482 N C -1.451 174.261 175.510 0.336 0.000 1.103 482 N CA -0.252 52.946 53.050 0.248 0.000 0.848 482 N CB 1.808 40.469 38.487 0.289 0.000 1.235 482 N HN 0.529 nan 8.380 nan 0.000 0.496 483 D N 0.335 120.955 120.400 0.366 0.000 2.713 483 D HA 0.478 5.119 4.640 0.003 0.000 0.306 483 D C -1.323 175.202 176.300 0.375 0.000 1.299 483 D CA -0.406 53.796 54.000 0.337 0.000 0.823 483 D CB 2.274 43.236 40.800 0.271 0.000 1.353 483 D HN 0.336 nan 8.370 nan 0.000 0.447 484 I N 0.769 121.534 120.570 0.324 0.000 2.769 484 I HA 0.553 4.724 4.170 0.003 0.000 0.298 484 I C -1.451 174.776 176.117 0.182 0.000 1.128 484 I CA -0.427 61.081 61.300 0.346 0.000 1.031 484 I CB 2.044 40.349 38.000 0.510 0.000 1.235 484 I HN 0.337 nan 8.210 nan 0.000 0.423 485 E N 2.900 123.176 120.200 0.126 0.000 2.423 485 E HA 0.444 4.795 4.350 0.003 0.000 0.280 485 E C -1.491 175.126 176.600 0.030 0.000 1.030 485 E CA -0.409 56.011 56.400 0.033 0.000 0.812 485 E CB 2.128 31.806 29.700 -0.037 0.000 1.313 485 E HN 0.506 nan 8.360 nan 0.000 0.456 486 T N 1.824 116.382 114.554 0.008 0.000 2.909 486 T HA 0.520 4.871 4.350 0.003 0.000 0.289 486 T C 0.120 174.817 174.700 -0.005 0.000 1.005 486 T CA -0.249 61.868 62.100 0.027 0.000 1.084 486 T CB 0.196 69.082 68.868 0.030 0.000 0.975 486 T HN 0.289 nan 8.240 nan 0.000 0.509 487 I N 2.326 122.898 120.570 0.002 0.000 2.328 487 I HA 0.523 4.694 4.170 0.003 0.000 0.287 487 I C 0.679 176.823 176.117 0.045 0.000 1.012 487 I CA -0.095 61.199 61.300 -0.010 0.000 1.195 487 I CB 0.964 38.938 38.000 -0.044 0.000 1.350 487 I HN 0.893 nan 8.210 nan 0.000 0.464 488 G N 4.265 113.089 108.800 0.041 0.000 3.238 488 G HA2 -0.165 3.796 3.960 0.003 0.000 0.684 488 G HA3 -0.165 3.796 3.960 0.003 0.000 0.684 488 G C -0.216 174.703 174.900 0.031 0.000 1.156 488 G CA -0.719 44.423 45.100 0.070 0.000 1.048 488 G HN 0.777 nan 8.290 nan 0.000 0.462 489 D N 0.280 120.656 120.400 -0.039 0.000 2.182 489 D HA -0.072 4.569 4.640 0.003 0.000 0.201 489 D C 1.697 177.802 176.300 -0.324 0.000 0.986 489 D CA 2.213 56.090 54.000 -0.205 0.000 0.847 489 D CB 0.052 40.638 40.800 -0.357 0.000 0.942 489 D HN 0.662 nan 8.370 nan 0.000 0.467 490 Y N -0.988 119.351 120.300 0.065 0.000 2.609 490 Y HA 0.112 4.663 4.550 0.002 0.000 0.281 490 Y C 2.479 178.409 175.900 0.049 0.000 1.132 490 Y CA 0.430 58.558 58.100 0.047 0.000 1.264 490 Y CB -0.290 38.200 38.460 0.049 0.000 1.325 490 Y HN -0.074 nan 8.280 nan 0.000 0.514 491 S N -0.067 115.776 115.700 0.239 0.000 2.406 491 S HA -0.130 4.341 4.470 0.003 0.000 0.228 491 S C 1.013 175.711 174.600 0.162 0.000 1.020 491 S CA 0.833 59.148 58.200 0.191 0.000 0.965 491 S CB -0.550 62.770 63.200 0.200 0.000 0.798 491 S HN 0.497 nan 8.310 nan 0.000 0.488 492 N N 0.870 119.658 118.700 0.147 0.000 2.725 492 N HA -0.141 4.601 4.740 0.003 0.000 0.251 492 N C 0.433 176.100 175.510 0.261 0.000 1.031 492 N CA 0.934 54.093 53.050 0.183 0.000 0.720 492 N CB -2.038 36.540 38.487 0.153 0.000 0.930 492 N HN 0.506 nan 8.380 nan 0.000 0.543 493 T N -1.582 113.085 114.554 0.189 0.000 2.759 493 T HA 0.157 4.509 4.350 0.003 0.000 0.269 493 T C 1.056 175.787 174.700 0.052 0.000 1.042 493 T CA 1.535 63.732 62.100 0.163 0.000 1.140 493 T CB -0.123 68.843 68.868 0.163 0.000 0.864 493 T HN 0.745 nan 8.240 nan 0.000 0.455 494 G N -0.777 108.004 108.800 -0.033 0.000 2.430 494 G HA2 0.549 4.511 3.960 0.003 0.000 0.300 494 G HA3 0.549 4.511 3.960 0.003 0.000 0.300 494 G C -2.030 172.783 174.900 -0.145 0.000 1.330 494 G CA -0.971 43.917 45.100 -0.353 0.000 0.813 494 G HN 0.212 nan 8.290 nan 0.000 0.487 495 I N 0.434 120.897 120.570 -0.179 0.000 2.433 495 I HA 0.495 4.666 4.170 0.003 0.000 0.292 495 I C -0.782 175.381 176.117 0.076 0.000 1.001 495 I CA -0.746 60.560 61.300 0.010 0.000 1.119 495 I CB 1.933 39.963 38.000 0.049 0.000 1.289 495 I HN 0.405 nan 8.210 nan 0.000 0.438 496 L N 6.387 127.645 121.223 0.058 0.000 2.317 496 L HA 0.767 5.108 4.340 0.003 0.000 0.281 496 L C -0.077 176.827 176.870 0.057 0.000 1.024 496 L CA -0.127 54.696 54.840 -0.028 0.000 0.810 496 L CB 1.593 43.532 42.059 -0.200 0.000 1.240 496 L HN 0.675 nan 8.230 nan 0.000 0.427 497 A N 6.012 128.715 122.820 -0.196 0.000 2.309 497 A HA 0.516 4.837 4.320 0.003 0.000 0.290 497 A C -0.177 177.129 177.584 -0.463 0.000 1.206 497 A CA -0.391 51.376 52.037 -0.451 0.000 0.850 497 A CB -0.100 17.988 19.000 -1.520 0.000 1.118 497 A HN 0.805 nan 8.150 nan 0.000 0.523 498 M N 4.042 123.524 119.600 -0.195 0.000 2.923 498 M HA 0.128 4.610 4.480 0.003 0.000 0.311 498 M C -0.076 176.160 176.300 -0.107 0.000 1.376 498 M CA 0.241 55.446 55.300 -0.159 0.000 1.468 498 M CB -0.046 32.527 32.600 -0.045 0.000 1.151 498 M HN 0.558 nan 8.290 nan 0.000 0.517 499 K N 1.805 122.058 120.400 -0.245 0.000 2.295 499 K HA 0.161 4.483 4.320 0.003 0.000 0.270 499 K C 0.112 176.702 176.600 -0.017 0.000 1.011 499 K CA -0.304 55.911 56.287 -0.120 0.000 0.953 499 K CB 0.898 33.243 32.500 -0.257 0.000 0.956 499 K HN 0.382 nan 8.250 nan 0.000 0.477 500 K N 2.693 123.129 120.400 0.060 0.000 2.416 500 K HA -0.000 4.321 4.320 0.003 0.000 0.283 500 K C 0.379 177.009 176.600 0.049 0.000 1.037 500 K CA 0.142 56.462 56.287 0.054 0.000 0.995 500 K CB 0.346 32.883 32.500 0.062 0.000 0.938 500 K HN 0.520 nan 8.250 nan 0.000 0.475 501 I N 3.753 124.374 120.570 0.085 0.000 2.947 501 I HA -0.007 4.165 4.170 0.003 0.000 0.263 501 I C 0.397 176.571 176.117 0.096 0.000 1.130 501 I CA 0.010 61.371 61.300 0.101 0.000 1.448 501 I CB 0.616 38.726 38.000 0.184 0.000 1.222 501 I HN 0.450 nan 8.210 nan 0.000 0.453 502 V N -2.503 117.467 119.914 0.094 0.000 3.141 502 V HA 0.537 4.658 4.120 0.003 0.000 0.312 502 V C -0.552 175.556 176.094 0.023 0.000 1.157 502 V CA -0.994 61.346 62.300 0.066 0.000 1.041 502 V CB 1.811 33.688 31.823 0.091 0.000 1.071 502 V HN -0.069 nan 8.190 nan 0.000 0.441 503 E N 1.140 121.343 120.200 0.006 0.000 2.374 503 E HA 0.397 4.748 4.350 0.003 0.000 0.260 503 E C -2.545 174.026 176.600 -0.049 0.000 1.101 503 E CA -1.969 54.420 56.400 -0.018 0.000 0.907 503 E CB 0.413 30.105 29.700 -0.014 0.000 1.014 503 E HN 0.598 nan 8.360 nan 0.000 0.427 504 P HA -0.042 nan 4.420 nan 0.000 0.261 504 P C -0.279 176.968 177.300 -0.088 0.000 1.173 504 P CA 0.521 63.579 63.100 -0.070 0.000 0.760 504 P CB 0.361 32.029 31.700 -0.052 0.000 0.783 505 L N 4.540 125.685 121.223 -0.130 0.000 2.375 505 L HA 0.209 4.550 4.340 0.003 0.000 0.271 505 L C 0.628 177.423 176.870 -0.126 0.000 1.107 505 L CA -0.301 54.382 54.840 -0.261 0.000 0.806 505 L CB 0.095 41.940 42.059 -0.357 0.000 1.146 505 L HN 0.556 nan 8.230 nan 0.000 0.447 506 Y N 1.129 121.423 120.300 -0.009 0.000 2.845 506 Y HA -0.423 4.128 4.550 0.003 0.000 0.468 506 Y C 1.129 177.055 175.900 0.044 0.000 1.163 506 Y CA 1.221 59.309 58.100 -0.021 0.000 2.636 506 Y CB -0.764 37.596 38.460 -0.167 0.000 1.194 506 Y HN 0.572 nan 8.280 nan 0.000 0.626 507 E N 1.334 121.694 120.200 0.267 0.000 2.437 507 E HA 0.505 4.856 4.350 0.003 0.000 0.195 507 E C 0.029 176.868 176.600 0.399 0.000 1.029 507 E CA 0.261 56.872 56.400 0.352 0.000 0.948 507 E CB 0.144 30.118 29.700 0.457 0.000 1.082 507 E HN 0.480 nan 8.360 nan 0.000 0.456 508 A N 1.633 124.589 122.820 0.226 0.000 2.498 508 A HA 0.233 4.555 4.320 0.003 0.000 0.239 508 A C 0.159 177.798 177.584 0.091 0.000 1.068 508 A CA 0.338 52.480 52.037 0.176 0.000 0.766 508 A CB 0.321 19.369 19.000 0.080 0.000 1.003 508 A HN 0.178 nan 8.150 nan 0.000 0.497 509 R N 0.989 121.519 120.500 0.050 0.000 2.795 509 R HA 0.508 4.850 4.340 0.003 0.000 0.275 509 R C -0.048 176.203 176.300 -0.081 0.000 0.981 509 R CA -0.399 55.627 56.100 -0.122 0.000 0.917 509 R CB 1.994 32.044 30.300 -0.415 0.000 1.202 509 R HN 0.899 nan 8.270 nan 0.000 0.469 510 S N -0.092 115.569 115.700 -0.064 0.000 2.593 510 S HA 0.026 4.498 4.470 0.003 0.000 0.269 510 S C 0.220 174.850 174.600 0.050 0.000 1.334 510 S CA -0.343 57.857 58.200 -0.002 0.000 1.015 510 S CB 0.887 64.096 63.200 0.015 0.000 0.912 510 S HN 0.588 nan 8.310 nan 0.000 0.541 511 D N 0.287 120.771 120.400 0.140 0.000 2.117 511 D HA -0.111 4.530 4.640 0.003 0.000 0.197 511 D C 1.438 177.885 176.300 0.245 0.000 0.987 511 D CA 1.629 55.723 54.000 0.156 0.000 0.829 511 D CB -0.380 40.635 40.800 0.359 0.000 0.961 511 D HN 0.718 nan 8.370 nan 0.000 0.460 512 Y N 1.799 122.266 120.300 0.277 0.000 2.114 512 Y HA -0.286 4.266 4.550 0.003 0.000 0.282 512 Y C 1.589 177.614 175.900 0.209 0.000 1.165 512 Y CA 1.708 60.001 58.100 0.321 0.000 1.148 512 Y CB -0.125 38.488 38.460 0.254 0.000 0.972 512 Y HN -0.109 nan 8.280 nan 0.000 0.504 513 D N 0.106 120.662 120.400 0.260 0.000 2.117 513 D HA -0.180 4.461 4.640 0.003 0.000 0.198 513 D C 2.311 178.518 176.300 -0.155 0.000 0.982 513 D CA 1.865 55.899 54.000 0.056 0.000 0.828 513 D CB -0.384 40.414 40.800 -0.004 0.000 0.967 513 D HN 0.471 nan 8.370 nan 0.000 0.464 514 I N 0.145 120.572 120.570 -0.238 0.000 2.179 514 I HA -0.266 3.905 4.170 0.003 0.000 0.242 514 I C 2.095 178.050 176.117 -0.270 0.000 1.088 514 I CA 0.876 61.978 61.300 -0.330 0.000 1.357 514 I CB -0.295 37.413 38.000 -0.488 0.000 1.051 514 I HN -0.115 nan 8.210 nan 0.000 0.409 515 F N 1.112 120.944 119.950 -0.196 0.000 2.234 515 F HA -0.126 4.403 4.527 0.002 0.000 0.299 515 F C 2.584 177.812 175.800 -0.952 0.000 1.087 515 F CA 1.002 58.714 58.000 -0.480 0.000 1.340 515 F CB -1.068 37.676 39.000 -0.425 0.000 1.031 515 F HN 0.003 nan 8.300 nan 0.000 0.500 516 A N -0.170 122.224 122.820 -0.710 0.000 1.930 516 A HA 0.016 4.337 4.320 0.003 0.000 0.217 516 A C 2.431 179.848 177.584 -0.277 0.000 1.175 516 A CA 1.587 53.279 52.037 -0.577 0.000 0.627 516 A CB -1.122 17.728 19.000 -0.249 0.000 0.815 516 A HN 0.276 nan 8.150 nan 0.000 0.443 517 A N -0.661 122.038 122.820 -0.201 0.000 1.929 517 A HA 0.089 4.411 4.320 0.003 0.000 0.216 517 A C 2.178 179.719 177.584 -0.072 0.000 1.176 517 A CA 1.550 53.522 52.037 -0.108 0.000 0.628 517 A CB -0.740 18.196 19.000 -0.107 0.000 0.816 517 A HN 0.338 nan 8.150 nan 0.000 0.444 518 V N -0.080 119.790 119.914 -0.074 0.000 2.358 518 V HA -0.207 3.915 4.120 0.003 0.000 0.246 518 V C 3.031 179.102 176.094 -0.039 0.000 1.047 518 V CA 1.788 64.088 62.300 0.000 0.000 1.035 518 V CB -1.136 30.743 31.823 0.092 0.000 0.658 518 V HN 0.593 nan 8.190 nan 0.000 0.452 519 A N 0.008 122.738 122.820 -0.149 0.000 1.902 519 A HA -0.257 4.064 4.320 0.003 0.000 0.217 519 A C 2.184 179.748 177.584 -0.033 0.000 1.181 519 A CA 2.023 53.993 52.037 -0.112 0.000 0.623 519 A CB -0.526 18.345 19.000 -0.215 0.000 0.818 519 A HN 0.539 nan 8.150 nan 0.000 0.443 520 E N 0.155 120.329 120.200 -0.042 0.000 2.085 520 E HA -0.187 4.165 4.350 0.003 0.000 0.194 520 E C 2.066 178.672 176.600 0.011 0.000 0.994 520 E CA 1.604 58.002 56.400 -0.002 0.000 0.801 520 E CB -0.212 29.484 29.700 -0.006 0.000 0.743 520 E HN 0.599 nan 8.360 nan 0.000 0.453 521 R N -0.604 119.903 120.500 0.012 0.000 2.235 521 R HA 0.090 4.432 4.340 0.003 0.000 0.213 521 R C 1.880 178.201 176.300 0.035 0.000 1.059 521 R CA 0.660 56.777 56.100 0.029 0.000 0.997 521 R CB -0.020 30.305 30.300 0.041 0.000 0.884 521 R HN 0.242 nan 8.270 nan 0.000 0.462 522 L N -0.722 120.521 121.223 0.033 0.000 2.558 522 L HA 0.194 4.536 4.340 0.003 0.000 0.225 522 L C 0.922 177.813 176.870 0.037 0.000 1.128 522 L CA 0.392 55.256 54.840 0.040 0.000 0.868 522 L CB 0.254 42.338 42.059 0.042 0.000 1.006 522 L HN 0.446 nan 8.230 nan 0.000 0.454 523 G N 0.439 109.259 108.800 0.033 0.000 2.132 523 G HA2 -0.218 3.744 3.960 0.003 0.000 0.228 523 G HA3 -0.218 3.744 3.960 0.003 0.000 0.228 523 G C 0.457 175.381 174.900 0.040 0.000 1.000 523 G CA -0.166 44.955 45.100 0.034 0.000 0.693 523 G HN 0.205 nan 8.290 nan 0.000 0.515 524 K N 0.185 120.613 120.400 0.046 0.000 2.676 524 K HA 0.341 4.662 4.320 0.003 0.000 0.205 524 K C 1.958 178.614 176.600 0.093 0.000 1.084 524 K CA 0.319 56.646 56.287 0.067 0.000 1.057 524 K CB 0.482 33.026 32.500 0.073 0.000 0.791 524 K HN 0.334 nan 8.250 nan 0.000 0.484 525 G N 1.143 109.988 108.800 0.075 0.000 2.440 525 G HA2 -0.272 3.689 3.960 0.003 0.000 0.218 525 G HA3 -0.272 3.689 3.960 0.003 0.000 0.218 525 G C 1.427 176.414 174.900 0.145 0.000 1.154 525 G CA 1.148 46.306 45.100 0.096 0.000 0.767 525 G HN 0.355 nan 8.290 nan 0.000 0.552 526 A N 0.524 123.408 122.820 0.107 0.000 1.968 526 A HA 0.147 4.468 4.320 0.003 0.000 0.217 526 A C 2.170 179.821 177.584 0.111 0.000 1.169 526 A CA 1.849 53.945 52.037 0.098 0.000 0.638 526 A CB -0.182 18.853 19.000 0.059 0.000 0.812 526 A HN 0.354 nan 8.150 nan 0.000 0.446 527 E N -1.039 119.230 120.200 0.115 0.000 2.106 527 E HA -0.080 4.272 4.350 0.003 0.000 0.192 527 E C 1.560 178.247 176.600 0.145 0.000 0.984 527 E CA 1.104 57.570 56.400 0.110 0.000 0.806 527 E CB -0.334 29.424 29.700 0.097 0.000 0.750 527 E HN 0.671 nan 8.360 nan 0.000 0.458 528 F N 1.007 120.988 119.950 0.051 0.000 2.113 528 F HA -0.191 4.337 4.527 0.003 0.000 0.297 528 F C 2.336 178.217 175.800 0.134 0.000 1.103 528 F CA 1.862 59.884 58.000 0.037 0.000 1.248 528 F CB -0.345 38.635 39.000 -0.034 0.000 0.999 528 F HN 0.069 nan 8.300 nan 0.000 0.475 529 T N -3.225 111.509 114.554 0.300 0.000 3.067 529 T HA 0.049 4.400 4.350 0.003 0.000 0.257 529 T C 1.068 175.994 174.700 0.376 0.000 1.105 529 T CA 0.790 63.137 62.100 0.411 0.000 1.104 529 T CB -0.017 69.095 68.868 0.406 0.000 0.925 529 T HN 0.263 nan 8.240 nan 0.000 0.498 530 E N 0.766 121.080 120.200 0.190 0.000 2.971 530 E HA -0.165 4.187 4.350 0.003 0.000 0.278 530 E C 1.007 177.551 176.600 -0.093 0.000 1.009 530 E CA 1.105 57.520 56.400 0.025 0.000 0.862 530 E CB -1.979 27.681 29.700 -0.066 0.000 1.436 530 E HN 1.144 nan 8.360 nan 0.000 0.434 531 G N -0.512 108.277 108.800 -0.019 0.000 2.203 531 G HA2 -0.389 3.572 3.960 0.003 0.000 0.263 531 G HA3 -0.389 3.572 3.960 0.003 0.000 0.263 531 G C 0.182 174.989 174.900 -0.154 0.000 1.012 531 G CA 0.894 45.957 45.100 -0.062 0.000 0.749 531 G HN 0.402 nan 8.290 nan 0.000 0.512 532 K N 0.355 120.624 120.400 -0.219 0.000 2.259 532 K HA 0.536 4.858 4.320 0.003 0.000 0.249 532 K C -0.344 176.174 176.600 -0.137 0.000 0.942 532 K CA -0.646 55.394 56.287 -0.412 0.000 0.816 532 K CB 1.496 33.296 32.500 -1.167 0.000 1.155 532 K HN 0.274 nan 8.250 nan 0.000 0.428 533 D N 0.129 120.451 120.400 -0.129 0.000 2.487 533 D HA 0.016 4.657 4.640 0.003 0.000 0.262 533 D C 0.825 177.106 176.300 -0.031 0.000 1.130 533 D CA -0.570 53.425 54.000 -0.009 0.000 1.038 533 D CB 0.686 41.469 40.800 -0.028 0.000 1.142 533 D HN 0.661 nan 8.370 nan 0.000 0.575 534 E N -0.764 119.398 120.200 -0.062 0.000 2.068 534 E HA -0.271 4.080 4.350 0.003 0.000 0.207 534 E C 1.773 178.304 176.600 -0.114 0.000 1.032 534 E CA 1.683 58.020 56.400 -0.104 0.000 0.839 534 E CB -0.042 29.626 29.700 -0.052 0.000 0.758 534 E HN 0.320 nan 8.360 nan 0.000 0.457 535 M N -0.030 119.479 119.600 -0.152 0.000 2.296 535 M HA -0.009 4.473 4.480 0.003 0.000 0.265 535 M C 2.338 178.444 176.300 -0.324 0.000 1.064 535 M CA 1.379 56.534 55.300 -0.240 0.000 1.109 535 M CB -1.174 31.288 32.600 -0.231 0.000 1.396 535 M HN 0.310 nan 8.290 nan 0.000 0.430 536 G N -1.491 107.128 108.800 -0.302 0.000 2.408 536 G HA2 -0.214 3.748 3.960 0.003 0.000 0.217 536 G HA3 -0.214 3.748 3.960 0.003 0.000 0.217 536 G C 1.454 176.051 174.900 -0.504 0.000 1.150 536 G CA 0.174 45.032 45.100 -0.404 0.000 0.776 536 G HN 0.456 nan 8.290 nan 0.000 0.542 537 W N 0.589 121.589 121.300 -0.499 0.000 2.379 537 W HA 0.082 4.744 4.660 0.003 0.000 0.307 537 W C 2.544 178.336 176.519 -1.212 0.000 1.200 537 W CA 0.160 57.042 57.345 -0.773 0.000 1.297 537 W CB -0.114 28.989 29.460 -0.595 0.000 1.140 537 W HN 0.091 nan 8.180 nan 0.000 0.507 538 I N 0.314 120.587 120.570 -0.494 0.000 2.179 538 I HA -0.333 3.838 4.170 0.003 0.000 0.242 538 I C 2.450 178.339 176.117 -0.381 0.000 1.088 538 I CA 1.507 62.615 61.300 -0.320 0.000 1.357 538 I CB -0.562 37.392 38.000 -0.076 0.000 1.051 538 I HN -0.060 nan 8.210 nan 0.000 0.409 539 K N 0.851 120.845 120.400 -0.676 0.000 2.097 539 K HA -0.183 4.138 4.320 0.003 0.000 0.206 539 K C 2.276 178.621 176.600 -0.425 0.000 1.049 539 K CA 1.780 57.522 56.287 -0.907 0.000 0.933 539 K CB -0.025 31.796 32.500 -1.131 0.000 0.717 539 K HN 0.381 nan 8.250 nan 0.000 0.442 540 S N -0.224 115.220 115.700 -0.426 0.000 2.402 540 S HA -0.097 4.375 4.470 0.003 0.000 0.229 540 S C 1.737 176.306 174.600 -0.051 0.000 1.021 540 S CA 0.585 58.632 58.200 -0.255 0.000 0.974 540 S CB -0.464 62.565 63.200 -0.285 0.000 0.800 540 S HN 0.200 nan 8.310 nan 0.000 0.484 541 F N 0.867 120.828 119.950 0.017 0.000 2.163 541 F HA 0.154 4.683 4.527 0.002 0.000 0.297 541 F C 2.399 178.213 175.800 0.022 0.000 1.094 541 F CA -0.142 57.880 58.000 0.037 0.000 1.290 541 F CB -1.607 37.434 39.000 0.070 0.000 1.017 541 F HN 0.214 nan 8.300 nan 0.000 0.483 542 Y N 1.439 121.814 120.300 0.126 0.000 2.145 542 Y HA -0.244 4.307 4.550 0.002 0.000 0.286 542 Y C 2.130 178.047 175.900 0.029 0.000 1.145 542 Y CA 1.922 60.062 58.100 0.068 0.000 1.148 542 Y CB -0.510 38.046 38.460 0.161 0.000 0.981 542 Y HN -0.037 nan 8.280 nan 0.000 0.507 543 D N -0.084 120.334 120.400 0.030 0.000 2.144 543 D HA -0.147 4.495 4.640 0.003 0.000 0.200 543 D C 1.634 177.880 176.300 -0.090 0.000 0.978 543 D CA 1.568 55.551 54.000 -0.027 0.000 0.833 543 D CB -0.380 40.422 40.800 0.002 0.000 0.961 543 D HN 0.439 nan 8.370 nan 0.000 0.470 544 D N 0.360 120.729 120.400 -0.053 0.000 2.117 544 D HA -0.072 4.570 4.640 0.003 0.000 0.197 544 D C 1.997 178.235 176.300 -0.104 0.000 0.987 544 D CA 1.383 55.354 54.000 -0.047 0.000 0.829 544 D CB -0.252 40.555 40.800 0.011 0.000 0.961 544 D HN 0.143 nan 8.370 nan 0.000 0.460 545 A N 0.583 123.308 122.820 -0.159 0.000 1.930 545 A HA 0.044 4.365 4.320 0.003 0.000 0.217 545 A C 2.229 179.653 177.584 -0.267 0.000 1.175 545 A CA 1.883 53.793 52.037 -0.211 0.000 0.627 545 A CB -0.672 18.194 19.000 -0.223 0.000 0.815 545 A HN 0.228 nan 8.150 nan 0.000 0.443 546 A N -0.221 122.380 122.820 -0.364 0.000 1.929 546 A HA -0.107 4.215 4.320 0.003 0.000 0.216 546 A C 2.141 179.645 177.584 -0.134 0.000 1.176 546 A CA 1.756 53.630 52.037 -0.272 0.000 0.628 546 A CB -0.409 18.422 19.000 -0.283 0.000 0.816 546 A HN 0.491 nan 8.150 nan 0.000 0.444 547 K N -0.314 120.018 120.400 -0.113 0.000 2.057 547 K HA -0.232 4.090 4.320 0.003 0.000 0.207 547 K C 2.264 178.818 176.600 -0.076 0.000 1.049 547 K CA 1.821 58.066 56.287 -0.070 0.000 0.931 547 K CB -0.207 32.259 32.500 -0.056 0.000 0.714 547 K HN 0.649 nan 8.250 nan 0.000 0.440 548 Q N -0.376 119.365 119.800 -0.097 0.000 2.119 548 Q HA -0.100 4.242 4.340 0.003 0.000 0.201 548 Q C 1.881 177.811 176.000 -0.116 0.000 0.972 548 Q CA 1.572 57.315 55.803 -0.099 0.000 0.847 548 Q CB -0.169 28.505 28.738 -0.107 0.000 0.903 548 Q HN 0.460 nan 8.270 nan 0.000 0.433 549 G N 1.352 110.068 108.800 -0.140 0.000 2.404 549 G HA2 -0.286 3.675 3.960 0.003 0.000 0.215 549 G HA3 -0.286 3.675 3.960 0.003 0.000 0.215 549 G C 1.378 176.228 174.900 -0.085 0.000 1.174 549 G CA 0.880 45.892 45.100 -0.146 0.000 0.780 549 G HN 0.345 nan 8.290 nan 0.000 0.537 550 K N 0.610 120.975 120.400 -0.059 0.000 2.001 550 K HA -0.090 4.232 4.320 0.003 0.000 0.214 550 K C 2.800 179.380 176.600 -0.032 0.000 1.050 550 K CA 1.619 57.888 56.287 -0.030 0.000 0.934 550 K CB -0.479 32.009 32.500 -0.020 0.000 0.718 550 K HN 0.171 nan 8.250 nan 0.000 0.443 551 A N 0.813 123.609 122.820 -0.040 0.000 1.958 551 A HA -0.178 4.143 4.320 0.003 0.000 0.221 551 A C 2.185 179.745 177.584 -0.039 0.000 1.178 551 A CA 2.226 54.241 52.037 -0.037 0.000 0.642 551 A CB -0.818 18.158 19.000 -0.040 0.000 0.816 551 A HN 0.555 nan 8.150 nan 0.000 0.453 552 A N -2.006 120.782 122.820 -0.054 0.000 2.251 552 A HA 0.427 4.749 4.320 0.003 0.000 0.209 552 A C 1.687 179.247 177.584 -0.041 0.000 1.187 552 A CA 1.113 53.118 52.037 -0.053 0.000 0.823 552 A CB -0.998 17.954 19.000 -0.080 0.000 0.846 552 A HN 2.009 nan 8.150 nan 0.000 0.486 553 G N -1.345 107.438 108.800 -0.030 0.000 2.137 553 G HA2 -0.168 3.793 3.960 0.003 0.000 0.237 553 G HA3 -0.168 3.793 3.960 0.003 0.000 0.237 553 G C -0.002 174.894 174.900 -0.007 0.000 1.002 553 G CA 0.170 45.263 45.100 -0.012 0.000 0.702 553 G HN 0.791 nan 8.290 nan 0.000 0.515 554 V N 0.638 120.538 119.914 -0.023 0.000 2.394 554 V HA 0.442 4.563 4.120 0.003 0.000 0.282 554 V C 0.557 176.671 176.094 0.034 0.000 1.031 554 V CA -0.492 61.807 62.300 -0.002 0.000 0.881 554 V CB 1.701 33.474 31.823 -0.083 0.000 0.982 554 V HN 0.428 nan 8.190 nan 0.000 0.451 555 Q N 4.719 124.566 119.800 0.078 0.000 2.279 555 Q HA 0.647 4.989 4.340 0.003 0.000 0.256 555 Q C -0.764 175.317 176.000 0.135 0.000 0.937 555 Q CA 0.081 55.937 55.803 0.088 0.000 0.933 555 Q CB 1.552 30.340 28.738 0.083 0.000 1.189 555 Q HN 0.644 nan 8.270 nan 0.000 0.417 556 M N 3.170 122.850 119.600 0.133 0.000 2.393 556 M HA 0.455 4.936 4.480 0.003 0.000 0.299 556 M C -2.264 174.163 176.300 0.212 0.000 1.103 556 M CA -2.027 53.390 55.300 0.194 0.000 0.910 556 M CB 2.021 34.720 32.600 0.165 0.000 1.659 556 M HN 0.476 nan 8.290 nan 0.000 0.445 557 P HA 0.362 nan 4.420 nan 0.000 0.274 557 P C -0.904 176.588 177.300 0.320 0.000 1.260 557 P CA -0.522 62.717 63.100 0.232 0.000 0.793 557 P CB 0.256 32.077 31.700 0.202 0.000 1.048 558 A N -0.059 122.908 122.820 0.246 0.000 2.346 558 A HA 0.137 4.459 4.320 0.003 0.000 0.252 558 A C 1.072 178.817 177.584 0.268 0.000 1.089 558 A CA -0.373 51.834 52.037 0.283 0.000 0.797 558 A CB -0.612 18.497 19.000 0.182 0.000 1.047 558 A HN 0.585 nan 8.150 nan 0.000 0.494 559 F N 0.649 120.670 119.950 0.119 0.000 2.063 559 F HA -0.273 4.255 4.527 0.002 0.000 0.298 559 F C 1.806 177.630 175.800 0.040 0.000 1.109 559 F CA 2.830 60.799 58.000 -0.051 0.000 1.212 559 F CB -0.114 38.886 39.000 0.000 0.000 0.973 559 F HN 0.694 nan 8.300 nan 0.000 0.480 560 D N 0.203 120.555 120.400 -0.081 0.000 2.144 560 D HA -0.167 4.474 4.640 0.003 0.000 0.199 560 D C 2.366 178.581 176.300 -0.140 0.000 0.984 560 D CA 1.483 55.385 54.000 -0.163 0.000 0.834 560 D CB -0.663 40.123 40.800 -0.024 0.000 0.955 560 D HN 0.419 nan 8.370 nan 0.000 0.465 561 A N 0.808 123.597 122.820 -0.051 0.000 1.902 561 A HA -0.161 4.161 4.320 0.003 0.000 0.217 561 A C 2.051 179.606 177.584 -0.049 0.000 1.181 561 A CA 1.046 53.069 52.037 -0.023 0.000 0.623 561 A CB -0.914 18.113 19.000 0.046 0.000 0.818 561 A HN 0.295 nan 8.150 nan 0.000 0.443 562 F N -1.037 118.791 119.950 -0.203 0.000 2.146 562 F HA -0.135 4.393 4.527 0.002 0.000 0.298 562 F C 2.112 177.743 175.800 -0.282 0.000 1.096 562 F CA 1.380 59.233 58.000 -0.245 0.000 1.275 562 F CB -0.466 38.287 39.000 -0.411 0.000 1.008 562 F HN 0.478 nan 8.300 nan 0.000 0.480 563 W N 1.331 121.988 121.300 -1.072 0.000 2.381 563 W HA -0.131 4.530 4.660 0.002 0.000 0.301 563 W C 2.378 178.500 176.519 -0.661 0.000 1.205 563 W CA 1.927 58.614 57.345 -1.096 0.000 1.285 563 W CB -0.515 28.353 29.460 -0.987 0.000 1.133 563 W HN 0.224 nan 8.180 nan 0.000 0.521 564 A N 0.910 123.546 122.820 -0.308 0.000 1.865 564 A HA -0.268 4.053 4.320 0.003 0.000 0.217 564 A C 1.741 179.145 177.584 -0.300 0.000 1.191 564 A CA 2.146 54.043 52.037 -0.233 0.000 0.623 564 A CB -1.021 17.899 19.000 -0.134 0.000 0.826 564 A HN 0.441 nan 8.150 nan 0.000 0.444 565 E N -2.026 117.996 120.200 -0.298 0.000 2.152 565 E HA 0.172 4.523 4.350 0.003 0.000 0.192 565 E C 1.450 177.821 176.600 -0.382 0.000 0.983 565 E CA 0.535 56.781 56.400 -0.255 0.000 0.818 565 E CB -0.202 29.413 29.700 -0.141 0.000 0.758 565 E HN 0.811 nan 8.360 nan 0.000 0.467 566 G N 1.245 109.656 108.800 -0.649 0.000 2.199 566 G HA2 -0.304 3.657 3.960 0.003 0.000 0.254 566 G HA3 -0.304 3.657 3.960 0.003 0.000 0.254 566 G C 0.173 174.731 174.900 -0.569 0.000 0.982 566 G CA 0.451 45.084 45.100 -0.778 0.000 0.632 566 G HN 0.344 nan 8.290 nan 0.000 0.529 567 I N -0.535 119.853 120.570 -0.303 0.000 2.882 567 I HA 0.557 4.729 4.170 0.003 0.000 0.298 567 I C -1.417 174.764 176.117 0.107 0.000 1.462 567 I CA -1.180 60.094 61.300 -0.044 0.000 1.000 567 I CB 2.177 40.070 38.000 -0.179 0.000 1.340 567 I HN 0.089 nan 8.210 nan 0.000 0.462 568 V N 4.678 124.637 119.914 0.075 0.000 2.482 568 V HA 0.487 4.608 4.120 0.003 0.000 0.295 568 V C -0.580 175.290 176.094 -0.373 0.000 1.026 568 V CA -0.628 61.636 62.300 -0.061 0.000 0.856 568 V CB 1.468 33.249 31.823 -0.070 0.000 1.001 568 V HN 0.671 nan 8.190 nan 0.000 0.424 569 E N 3.422 123.464 120.200 -0.262 0.000 2.231 569 E HA 0.650 5.001 4.350 0.003 0.000 0.277 569 E C -1.421 175.002 176.600 -0.295 0.000 0.999 569 E CA -0.510 55.717 56.400 -0.288 0.000 0.827 569 E CB 1.802 31.487 29.700 -0.025 0.000 1.101 569 E HN 0.530 nan 8.360 nan 0.000 0.393 570 F N 2.256 122.256 119.950 0.084 0.000 2.470 570 F HA 0.365 4.893 4.527 0.002 0.000 0.329 570 F C -1.806 174.033 175.800 0.065 0.000 1.072 570 F CA -2.875 55.163 58.000 0.063 0.000 0.989 570 F CB 0.337 39.364 39.000 0.045 0.000 1.193 570 F HN 0.249 nan 8.300 nan 0.000 0.481 571 P HA 0.190 nan 4.420 nan 0.000 0.275 571 P C -0.838 176.547 177.300 0.141 0.000 1.228 571 P CA -0.157 63.040 63.100 0.162 0.000 0.786 571 P CB 1.467 33.243 31.700 0.126 0.000 0.927 572 V N 3.073 123.057 119.914 0.117 0.000 2.407 572 V HA 0.189 4.310 4.120 0.003 0.000 0.278 572 V C 1.567 177.711 176.094 0.083 0.000 1.037 572 V CA 0.336 62.698 62.300 0.103 0.000 0.900 572 V CB 0.845 32.733 31.823 0.108 0.000 0.983 572 V HN 0.873 nan 8.190 nan 0.000 0.459 573 T N 0.889 115.485 114.554 0.071 0.000 3.610 573 T HA 0.070 4.422 4.350 0.003 0.000 0.209 573 T C 0.925 175.664 174.700 0.064 0.000 0.889 573 T CA 0.687 62.823 62.100 0.060 0.000 1.469 573 T CB -0.126 68.769 68.868 0.046 0.000 1.557 573 T HN 0.595 nan 8.240 nan 0.000 0.431 574 D N 0.848 121.286 120.400 0.063 0.000 2.363 574 D HA 0.275 4.916 4.640 0.003 0.000 0.214 574 D C 1.911 178.270 176.300 0.098 0.000 1.093 574 D CA 0.203 54.249 54.000 0.076 0.000 0.837 574 D CB -0.675 40.168 40.800 0.071 0.000 0.948 574 D HN 0.592 nan 8.370 nan 0.000 0.507 575 G N 0.853 109.707 108.800 0.091 0.000 2.462 575 G HA2 -0.185 3.777 3.960 0.003 0.000 0.220 575 G HA3 -0.185 3.777 3.960 0.003 0.000 0.220 575 G C 1.518 176.505 174.900 0.145 0.000 1.121 575 G CA 0.737 45.898 45.100 0.102 0.000 0.758 575 G HN 0.461 nan 8.290 nan 0.000 0.559 576 A N 0.234 123.134 122.820 0.134 0.000 2.206 576 A HA 0.134 4.456 4.320 0.003 0.000 0.211 576 A C 1.542 179.208 177.584 0.137 0.000 1.158 576 A CA 1.312 53.434 52.037 0.142 0.000 0.761 576 A CB 0.045 19.120 19.000 0.125 0.000 0.801 576 A HN 0.250 nan 8.150 nan 0.000 0.473 577 D N -1.487 118.994 120.400 0.135 0.000 2.395 577 D HA 0.138 4.779 4.640 0.003 0.000 0.213 577 D C -0.140 176.229 176.300 0.114 0.000 1.110 577 D CA -0.312 53.750 54.000 0.104 0.000 0.835 577 D CB -0.064 40.785 40.800 0.081 0.000 0.965 577 D HN 0.398 nan 8.370 nan 0.000 0.505 578 F N 2.095 122.057 119.950 0.020 0.000 2.578 578 F HA 0.119 4.648 4.527 0.002 0.000 0.376 578 F C -0.204 175.590 175.800 -0.011 0.000 1.085 578 F CA -0.090 57.910 58.000 -0.001 0.000 1.260 578 F CB 0.619 39.613 39.000 -0.010 0.000 1.095 578 F HN -0.344 nan 8.300 nan 0.000 0.573 579 V N 7.641 127.005 119.914 -0.918 0.000 2.409 579 V HA 0.331 4.452 4.120 0.003 0.000 0.290 579 V C 0.085 175.607 176.094 -0.953 0.000 1.017 579 V CA -1.029 60.855 62.300 -0.693 0.000 0.841 579 V CB 1.338 32.975 31.823 -0.309 0.000 1.003 579 V HN 0.714 nan 8.190 nan 0.000 0.426 580 R N 2.938 122.958 120.500 -0.801 0.000 2.538 580 R HA 0.138 4.479 4.340 0.003 0.000 0.282 580 R C 0.100 176.305 176.300 -0.159 0.000 1.009 580 R CA 0.562 56.363 56.100 -0.498 0.000 1.063 580 R CB -0.001 30.163 30.300 -0.227 0.000 0.945 580 R HN 0.737 nan 8.270 nan 0.000 0.414 581 Y N -0.022 120.194 120.300 -0.139 0.000 4.881 581 Y HA -0.369 4.183 4.550 0.003 0.000 0.241 581 Y C 1.366 177.291 175.900 0.041 0.000 0.985 581 Y CA 0.779 58.885 58.100 0.010 0.000 1.976 581 Y CB -2.032 36.453 38.460 0.041 0.000 1.528 581 Y HN 0.806 nan 8.280 nan 0.000 0.581 582 A N 0.290 123.130 122.820 0.035 0.000 1.883 582 A HA -0.251 4.071 4.320 0.003 0.000 0.217 582 A C 2.298 179.926 177.584 0.075 0.000 1.186 582 A CA 2.733 54.782 52.037 0.021 0.000 0.624 582 A CB -1.025 17.941 19.000 -0.057 0.000 0.822 582 A HN 0.821 nan 8.150 nan 0.000 0.444 583 S N -1.068 114.684 115.700 0.087 0.000 2.368 583 S HA -0.187 4.284 4.470 0.003 0.000 0.225 583 S C 1.857 176.564 174.600 0.180 0.000 1.030 583 S CA 1.487 59.753 58.200 0.110 0.000 0.999 583 S CB -0.805 62.452 63.200 0.095 0.000 0.844 583 S HN 0.634 nan 8.310 nan 0.000 0.459 584 F N 2.772 122.789 119.950 0.112 0.000 2.171 584 F HA 0.081 4.609 4.527 0.002 0.000 0.300 584 F C 2.639 178.556 175.800 0.194 0.000 1.090 584 F CA 1.418 59.523 58.000 0.176 0.000 1.293 584 F CB -0.320 38.836 39.000 0.260 0.000 1.013 584 F HN 0.088 nan 8.300 nan 0.000 0.486 585 R N 0.468 120.987 120.500 0.032 0.000 2.075 585 R HA -0.187 4.154 4.340 0.003 0.000 0.232 585 R C 2.378 178.687 176.300 0.016 0.000 1.126 585 R CA 1.779 57.791 56.100 -0.147 0.000 0.963 585 R CB -0.517 29.742 30.300 -0.069 0.000 0.858 585 R HN 0.466 nan 8.270 nan 0.000 0.435 586 E N -0.243 119.979 120.200 0.037 0.000 2.058 586 E HA -0.191 4.161 4.350 0.003 0.000 0.194 586 E C -0.349 176.270 176.600 0.032 0.000 0.997 586 E CA 1.260 57.684 56.400 0.041 0.000 0.801 586 E CB 0.206 29.929 29.700 0.038 0.000 0.746 586 E HN 0.108 nan 8.360 nan 0.000 0.450 587 D N -1.802 118.610 120.400 0.020 0.000 2.318 587 D HA 0.086 4.728 4.640 0.003 0.000 0.233 587 D C -2.302 173.986 176.300 -0.020 0.000 1.348 587 D CA -1.523 52.473 54.000 -0.007 0.000 0.983 587 D CB 1.490 42.294 40.800 0.008 0.000 1.416 587 D HN -0.116 nan 8.370 nan 0.000 0.558 588 P HA 0.011 nan 4.420 nan 0.000 0.225 588 P C 1.527 178.830 177.300 0.005 0.000 1.156 588 P CA 0.361 63.384 63.100 -0.127 0.000 0.787 588 P CB 0.630 32.112 31.700 -0.363 0.000 0.802 589 L N -1.645 119.564 121.223 -0.023 0.000 2.209 589 L HA 0.042 4.383 4.340 0.003 0.000 0.207 589 L C 2.488 179.377 176.870 0.032 0.000 1.094 589 L CA 0.561 55.404 54.840 0.005 0.000 0.790 589 L CB -0.900 41.148 42.059 -0.019 0.000 0.932 589 L HN -0.070 nan 8.230 nan 0.000 0.447 590 L N -0.265 120.975 121.223 0.030 0.000 2.240 590 L HA 0.065 4.406 4.340 0.003 0.000 0.211 590 L C 0.714 177.627 176.870 0.072 0.000 1.106 590 L CA 1.200 56.065 54.840 0.041 0.000 0.793 590 L CB 0.061 42.140 42.059 0.034 0.000 0.927 590 L HN 0.267 nan 8.230 nan 0.000 0.446 591 N N 0.423 119.190 118.700 0.111 0.000 2.757 591 N HA 0.279 5.021 4.740 0.003 0.000 0.296 591 N C -2.599 173.076 175.510 0.275 0.000 1.874 591 N CA -0.978 52.169 53.050 0.162 0.000 0.885 591 N CB 0.775 39.365 38.487 0.172 0.000 1.242 591 N HN 0.132 nan 8.380 nan 0.000 0.488 592 P HA 0.153 nan 4.420 nan 0.000 0.274 592 P C 0.448 177.869 177.300 0.202 0.000 1.237 592 P CA -0.262 63.007 63.100 0.282 0.000 0.793 592 P CB 1.523 33.322 31.700 0.164 0.000 0.977 593 L N 0.691 122.001 121.223 0.145 0.000 2.476 593 L HA 0.238 4.580 4.340 0.003 0.000 0.255 593 L C 2.131 179.013 176.870 0.021 0.000 1.218 593 L CA -0.120 54.710 54.840 -0.018 0.000 0.819 593 L CB -0.225 41.747 42.059 -0.145 0.000 1.119 593 L HN 0.514 nan 8.230 nan 0.000 0.485 594 G N -0.401 108.394 108.800 -0.007 0.000 3.061 594 G HA2 -0.011 3.950 3.960 0.003 0.000 0.208 594 G HA3 -0.011 3.950 3.960 0.003 0.000 0.208 594 G C 0.655 175.548 174.900 -0.011 0.000 1.175 594 G CA 0.150 45.244 45.100 -0.010 0.000 0.812 594 G HN 0.683 nan 8.290 nan 0.000 0.523 595 T N -2.401 112.156 114.554 0.004 0.000 2.816 595 T HA 0.364 4.716 4.350 0.003 0.000 0.282 595 T C -1.299 173.420 174.700 0.033 0.000 0.993 595 T CA -1.381 60.729 62.100 0.016 0.000 0.994 595 T CB 1.677 70.567 68.868 0.037 0.000 1.025 595 T HN -0.168 nan 8.240 nan 0.000 0.529 596 P HA -0.094 nan 4.420 nan 0.000 0.215 596 P C 1.740 179.071 177.300 0.051 0.000 1.153 596 P CA 1.531 64.656 63.100 0.042 0.000 0.853 596 P CB -0.239 31.490 31.700 0.048 0.000 0.788 597 T N -5.647 108.948 114.554 0.068 0.000 3.088 597 T HA 0.251 4.602 4.350 0.003 0.000 0.259 597 T C 1.634 176.385 174.700 0.086 0.000 1.122 597 T CA 0.676 62.821 62.100 0.075 0.000 1.095 597 T CB -0.843 68.080 68.868 0.092 0.000 0.930 597 T HN 0.247 nan 8.240 nan 0.000 0.508 598 G N 0.934 109.789 108.800 0.091 0.000 2.179 598 G HA2 -0.201 3.760 3.960 0.003 0.000 0.260 598 G HA3 -0.201 3.760 3.960 0.003 0.000 0.260 598 G C -0.089 174.932 174.900 0.201 0.000 0.977 598 G CA 0.453 45.629 45.100 0.125 0.000 0.641 598 G HN 0.644 nan 8.290 nan 0.000 0.533 599 L N -0.238 121.091 121.223 0.178 0.000 2.271 599 L HA 0.657 4.999 4.340 0.003 0.000 0.265 599 L C 0.927 177.896 176.870 0.164 0.000 1.013 599 L CA -1.604 53.387 54.840 0.251 0.000 0.820 599 L CB 1.377 43.561 42.059 0.209 0.000 1.352 599 L HN -0.030 nan 8.230 nan 0.000 0.443 600 I N 1.152 121.843 120.570 0.201 0.000 2.587 600 I HA -0.011 4.161 4.170 0.003 0.000 0.284 600 I C 0.069 176.291 176.117 0.175 0.000 1.134 600 I CA 0.436 61.823 61.300 0.146 0.000 1.410 600 I CB 0.166 38.281 38.000 0.193 0.000 1.392 600 I HN 0.502 nan 8.210 nan 0.000 0.545 601 E N 6.932 127.231 120.200 0.165 0.000 2.035 601 E HA 0.242 4.594 4.350 0.003 0.000 0.271 601 E C 0.683 177.492 176.600 0.348 0.000 0.953 601 E CA -0.230 56.305 56.400 0.225 0.000 0.777 601 E CB 1.282 31.094 29.700 0.186 0.000 1.104 601 E HN 0.608 nan 8.360 nan 0.000 0.408 602 I N 2.115 122.861 120.570 0.292 0.000 2.406 602 I HA -0.135 4.036 4.170 0.003 0.000 0.249 602 I C 0.456 176.692 176.117 0.200 0.000 1.122 602 I CA 0.833 62.253 61.300 0.199 0.000 1.431 602 I CB 0.213 38.296 38.000 0.138 0.000 1.087 602 I HN 0.455 nan 8.210 nan 0.000 0.424 603 Y N 0.805 121.212 120.300 0.178 0.000 2.341 603 Y HA 0.428 4.980 4.550 0.002 0.000 0.338 603 Y C -0.134 175.901 175.900 0.225 0.000 0.965 603 Y CA -0.970 57.236 58.100 0.177 0.000 1.108 603 Y CB 1.576 40.104 38.460 0.114 0.000 1.180 603 Y HN -0.210 nan 8.280 nan 0.000 0.458 604 S N 5.830 121.466 115.700 -0.108 0.000 2.498 604 S HA 0.353 4.825 4.470 0.003 0.000 0.317 604 S C 0.319 174.879 174.600 -0.067 0.000 1.090 604 S CA -0.722 57.496 58.200 0.030 0.000 1.089 604 S CB 1.037 64.258 63.200 0.035 0.000 0.997 604 S HN 0.934 nan 8.310 nan 0.000 0.470 605 K N 3.217 123.677 120.400 0.101 0.000 2.217 605 K HA -0.019 4.302 4.320 0.003 0.000 0.202 605 K C 1.746 178.343 176.600 -0.006 0.000 1.051 605 K CA 0.538 56.894 56.287 0.115 0.000 0.952 605 K CB -0.082 32.500 32.500 0.136 0.000 0.736 605 K HN 0.575 nan 8.250 nan 0.000 0.453 606 N N 1.123 119.796 118.700 -0.045 0.000 2.244 606 N HA -0.086 4.655 4.740 0.003 0.000 0.183 606 N C 1.680 177.054 175.510 -0.227 0.000 1.016 606 N CA 0.981 53.965 53.050 -0.110 0.000 0.866 606 N CB 0.126 38.571 38.487 -0.070 0.000 0.980 606 N HN 0.156 nan 8.380 nan 0.000 0.430 607 I N 0.825 121.233 120.570 -0.271 0.000 2.480 607 I HA -0.123 4.048 4.170 0.003 0.000 0.251 607 I C 2.405 178.376 176.117 -0.245 0.000 1.124 607 I CA 0.478 61.587 61.300 -0.318 0.000 1.444 607 I CB -0.137 37.694 38.000 -0.282 0.000 1.098 607 I HN 0.150 nan 8.210 nan 0.000 0.428 608 E N 1.630 121.719 120.200 -0.184 0.000 2.097 608 E HA -0.294 4.057 4.350 0.003 0.000 0.196 608 E C 1.949 178.476 176.600 -0.121 0.000 1.000 608 E CA 1.504 57.832 56.400 -0.120 0.000 0.804 608 E CB 0.073 29.773 29.700 0.000 0.000 0.740 608 E HN 0.385 nan 8.360 nan 0.000 0.454 609 K N -0.417 119.907 120.400 -0.127 0.000 2.362 609 K HA -0.067 4.254 4.320 0.003 0.000 0.200 609 K C 2.022 178.493 176.600 -0.214 0.000 1.046 609 K CA 0.963 57.171 56.287 -0.131 0.000 0.952 609 K CB 0.013 32.451 32.500 -0.103 0.000 0.753 609 K HN 0.259 nan 8.250 nan 0.000 0.466 610 M N -0.580 118.810 119.600 -0.349 0.000 2.349 610 M HA 0.032 4.513 4.480 0.003 0.000 0.266 610 M C 0.921 176.894 176.300 -0.546 0.000 1.076 610 M CA 0.811 55.743 55.300 -0.613 0.000 1.126 610 M CB 0.113 32.099 32.600 -1.025 0.000 1.392 610 M HN 0.278 nan 8.290 nan 0.000 0.440 611 G N 1.313 109.916 108.800 -0.328 0.000 2.372 611 G HA2 -0.251 3.711 3.960 0.003 0.000 0.297 611 G HA3 -0.251 3.711 3.960 0.003 0.000 0.297 611 G C -0.866 174.020 174.900 -0.024 0.000 1.005 611 G CA -0.140 44.875 45.100 -0.142 0.000 1.173 611 G HN 0.359 nan 8.290 nan 0.000 0.511 612 Y N 0.496 120.772 120.300 -0.039 0.000 2.326 612 Y HA 0.307 4.858 4.550 0.002 0.000 0.337 612 Y C 1.547 177.430 175.900 -0.030 0.000 1.023 612 Y CA -1.574 56.512 58.100 -0.024 0.000 1.143 612 Y CB 1.308 39.755 38.460 -0.021 0.000 1.183 612 Y HN 0.366 nan 8.280 nan 0.000 0.485 613 D N -0.123 120.359 120.400 0.136 0.000 2.264 613 D HA -0.175 4.467 4.640 0.003 0.000 0.208 613 D C 0.473 176.786 176.300 0.022 0.000 0.966 613 D CA 1.126 55.156 54.000 0.051 0.000 0.864 613 D CB -0.261 40.562 40.800 0.039 0.000 0.933 613 D HN 0.574 nan 8.370 nan 0.000 0.499 614 D N -0.809 119.626 120.400 0.057 0.000 2.342 614 D HA 0.076 4.718 4.640 0.003 0.000 0.221 614 D C -0.185 176.145 176.300 0.051 0.000 1.101 614 D CA -0.686 53.340 54.000 0.045 0.000 0.837 614 D CB -0.616 40.251 40.800 0.113 0.000 0.938 614 D HN 0.196 nan 8.370 nan 0.000 0.508 615 C N 1.316 120.655 119.300 0.064 0.000 3.354 615 C HA 0.369 4.830 4.460 0.003 0.000 0.314 615 C C -2.744 172.273 174.990 0.044 0.000 1.019 615 C CA -1.411 57.657 59.018 0.084 0.000 1.293 615 C CB -0.546 27.289 27.740 0.159 0.000 1.747 615 C HN 0.033 nan 8.230 nan 0.000 0.580 616 P HA 0.230 nan 4.420 nan 0.000 0.272 616 P C 0.394 177.595 177.300 -0.164 0.000 1.254 616 P CA 0.197 63.188 63.100 -0.181 0.000 0.795 616 P CB 0.704 32.173 31.700 -0.384 0.000 1.022 617 A N 0.156 122.807 122.820 -0.282 0.000 2.276 617 A HA 0.134 4.455 4.320 0.003 0.000 0.212 617 A C 0.218 177.511 177.584 -0.484 0.000 1.230 617 A CA 0.726 52.556 52.037 -0.344 0.000 0.844 617 A CB -1.420 17.191 19.000 -0.648 0.000 0.860 617 A HN 0.809 nan 8.150 nan 0.000 0.486 618 H N -5.087 113.608 119.070 -0.625 0.000 3.064 618 H HA 0.550 5.107 4.556 0.002 0.000 0.352 618 H C -3.621 171.059 175.328 -1.080 0.000 1.260 618 H CA -2.422 53.038 56.048 -0.980 0.000 1.160 618 H CB -0.049 29.496 29.762 -0.360 0.000 1.879 618 H HN -0.162 nan 8.280 nan 0.000 0.544 619 P HA 0.091 nan 4.420 nan 0.000 0.258 619 P C -0.653 176.509 177.300 -0.231 0.000 1.172 619 P CA 0.602 63.302 63.100 -0.666 0.000 0.762 619 P CB 0.354 31.702 31.700 -0.587 0.000 0.764 620 T N 3.624 118.033 114.554 -0.241 0.000 2.909 620 T HA 0.313 4.664 4.350 0.003 0.000 0.299 620 T C -1.262 173.503 174.700 0.108 0.000 1.073 620 T CA -0.608 61.357 62.100 -0.225 0.000 0.999 620 T CB 1.278 69.858 68.868 -0.480 0.000 1.098 620 T HN 0.403 nan 8.240 nan 0.000 0.477 621 W N 4.953 126.346 121.300 0.154 0.000 2.316 621 W HA 0.668 5.330 4.660 0.002 0.000 0.311 621 W C -1.670 174.889 176.519 0.066 0.000 1.217 621 W CA -0.741 56.718 57.345 0.190 0.000 1.199 621 W CB 0.574 30.283 29.460 0.414 0.000 1.202 621 W HN 0.528 nan 8.180 nan 0.000 0.528 622 M N 4.630 123.759 119.600 -0.785 0.000 2.446 622 M HA 0.132 4.613 4.480 0.003 0.000 0.294 622 M C -0.308 175.394 176.300 -0.995 0.000 1.158 622 M CA -0.752 54.064 55.300 -0.807 0.000 0.899 622 M CB 2.543 34.584 32.600 -0.931 0.000 1.687 622 M HN 0.276 nan 8.290 nan 0.000 0.455 623 E N 3.769 123.624 120.200 -0.575 0.000 2.290 623 E HA 0.266 4.618 4.350 0.003 0.000 0.277 623 E C -2.270 174.287 176.600 -0.071 0.000 1.035 623 E CA -1.365 54.818 56.400 -0.363 0.000 0.873 623 E CB 0.368 30.012 29.700 -0.095 0.000 1.029 623 E HN 0.274 nan 8.360 nan 0.000 0.419 624 P HA -0.012 nan 4.420 nan 0.000 0.272 624 P C 1.116 178.563 177.300 0.246 0.000 1.240 624 P CA -0.382 62.836 63.100 0.198 0.000 0.791 624 P CB 0.714 32.499 31.700 0.142 0.000 0.978 625 L N 0.115 121.541 121.223 0.338 0.000 2.034 625 L HA -0.190 4.151 4.340 0.003 0.000 0.217 625 L C 0.710 177.620 176.870 0.066 0.000 1.077 625 L CA 2.016 56.899 54.840 0.071 0.000 0.769 625 L CB -0.472 41.471 42.059 -0.193 0.000 0.890 625 L HN 0.595 nan 8.230 nan 0.000 0.435 626 E N -1.080 119.168 120.200 0.079 0.000 2.335 626 E HA 0.547 4.899 4.350 0.003 0.000 0.280 626 E C -0.988 175.692 176.600 0.132 0.000 0.918 626 E CA -0.981 55.476 56.400 0.094 0.000 0.765 626 E CB 1.492 31.242 29.700 0.084 0.000 1.218 626 E HN 0.411 nan 8.360 nan 0.000 0.425 627 R N 1.073 121.658 120.500 0.141 0.000 2.663 627 R HA 0.438 4.779 4.340 0.003 0.000 0.267 627 R C -1.510 174.881 176.300 0.152 0.000 1.038 627 R CA -1.129 55.075 56.100 0.173 0.000 0.886 627 R CB 0.916 31.321 30.300 0.175 0.000 1.249 627 R HN 0.508 nan 8.270 nan 0.000 0.463 628 L N 3.347 124.665 121.223 0.159 0.000 2.584 628 L HA 0.118 4.460 4.340 0.003 0.000 0.272 628 L C -0.432 176.484 176.870 0.078 0.000 1.195 628 L CA 1.283 56.194 54.840 0.118 0.000 0.920 628 L CB -0.302 41.821 42.059 0.106 0.000 1.173 628 L HN 0.836 nan 8.230 nan 0.000 0.489 629 D N 2.363 122.800 120.400 0.062 0.000 3.041 629 D HA -0.163 4.478 4.640 0.003 0.000 0.220 629 D C 0.493 176.825 176.300 0.053 0.000 1.157 629 D CA 1.178 55.202 54.000 0.040 0.000 0.876 629 D CB -1.434 39.376 40.800 0.017 0.000 1.107 629 D HN 0.869 nan 8.370 nan 0.000 0.422 630 G N 0.488 109.334 108.800 0.076 0.000 2.572 630 G HA2 0.490 4.451 3.960 0.003 0.000 0.261 630 G HA3 0.490 4.451 3.960 0.003 0.000 0.261 630 G C -2.184 172.755 174.900 0.065 0.000 1.197 630 G CA -0.848 44.306 45.100 0.089 0.000 0.870 630 G HN -0.044 nan 8.290 nan 0.000 0.548 631 P HA 0.161 nan 4.420 nan 0.000 0.267 631 P C 0.773 178.099 177.300 0.043 0.000 1.209 631 P CA 0.999 64.131 63.100 0.053 0.000 0.763 631 P CB 0.903 32.641 31.700 0.063 0.000 0.816 632 G N 2.338 111.154 108.800 0.028 0.000 2.225 632 G HA2 -0.153 3.809 3.960 0.003 0.000 0.267 632 G HA3 -0.153 3.809 3.960 0.003 0.000 0.267 632 G C 0.428 175.338 174.900 0.017 0.000 1.024 632 G CA 0.085 45.195 45.100 0.017 0.000 0.784 632 G HN 0.901 nan 8.290 nan 0.000 0.507 633 A N -0.728 122.106 122.820 0.024 0.000 2.371 633 A HA 0.717 5.038 4.320 0.003 0.000 0.257 633 A C 1.227 178.799 177.584 -0.020 0.000 1.089 633 A CA 0.972 53.027 52.037 0.031 0.000 0.794 633 A CB 0.644 19.681 19.000 0.061 0.000 1.029 633 A HN 0.644 nan 8.150 nan 0.000 0.488 634 K N 0.674 121.044 120.400 -0.050 0.000 2.284 634 K HA 0.103 4.425 4.320 0.003 0.000 0.198 634 K C -0.721 175.622 176.600 -0.428 0.000 1.048 634 K CA 0.730 56.865 56.287 -0.252 0.000 0.987 634 K CB -0.028 32.289 32.500 -0.305 0.000 0.800 634 K HN 0.700 nan 8.250 nan 0.000 0.486 635 Y N 0.005 120.304 120.300 -0.002 0.000 2.487 635 Y HA 0.278 4.830 4.550 0.003 0.000 0.337 635 Y C -1.735 174.162 175.900 -0.006 0.000 1.076 635 Y CA -2.509 55.578 58.100 -0.021 0.000 1.115 635 Y CB 1.623 40.052 38.460 -0.052 0.000 1.235 635 Y HN -0.043 nan 8.280 nan 0.000 0.468 636 P HA 0.061 nan 4.420 nan 0.000 0.226 636 P C -0.490 176.862 177.300 0.087 0.000 1.161 636 P CA 0.971 64.120 63.100 0.083 0.000 0.804 636 P CB 0.989 32.723 31.700 0.058 0.000 0.829 637 L N -0.334 120.940 121.223 0.086 0.000 2.329 637 L HA 0.445 4.787 4.340 0.003 0.000 0.279 637 L C 0.252 177.173 176.870 0.084 0.000 1.014 637 L CA -1.184 53.701 54.840 0.076 0.000 0.814 637 L CB 1.385 43.471 42.059 0.044 0.000 1.257 637 L HN -0.085 nan 8.230 nan 0.000 0.424 638 H N 3.069 122.164 119.070 0.040 0.000 2.646 638 H HA 0.446 5.004 4.556 0.003 0.000 0.325 638 H C -0.698 174.654 175.328 0.040 0.000 1.075 638 H CA -0.116 55.960 56.048 0.047 0.000 1.421 638 H CB 0.828 30.627 29.762 0.062 0.000 1.461 638 H HN 0.429 nan 8.280 nan 0.000 0.525 639 I N 4.736 125.039 120.570 -0.446 0.000 2.312 639 I HA 0.251 4.422 4.170 0.003 0.000 0.290 639 I C 0.039 176.091 176.117 -0.108 0.000 1.008 639 I CA -0.764 60.426 61.300 -0.183 0.000 1.226 639 I CB 1.357 39.262 38.000 -0.158 0.000 1.371 639 I HN 0.724 nan 8.210 nan 0.000 0.468 640 A N 6.064 128.968 122.820 0.140 0.000 2.671 640 A HA 0.535 4.857 4.320 0.003 0.000 0.306 640 A C 0.749 178.444 177.584 0.185 0.000 1.473 640 A CA -0.339 51.846 52.037 0.247 0.000 1.155 640 A CB -0.253 18.894 19.000 0.245 0.000 1.123 640 A HN 0.821 nan 8.150 nan 0.000 0.545 641 A N 3.309 126.233 122.820 0.174 0.000 3.126 641 A HA 0.514 4.836 4.320 0.003 0.000 0.268 641 A C 0.989 178.746 177.584 0.289 0.000 1.605 641 A CA 0.210 52.357 52.037 0.183 0.000 1.305 641 A CB -0.893 18.170 19.000 0.104 0.000 1.160 641 A HN 1.128 nan 8.150 nan 0.000 0.609 642 S N 0.268 116.195 115.700 0.380 0.000 2.690 642 S HA 0.451 4.922 4.470 0.003 0.000 0.285 642 S C 0.040 174.933 174.600 0.489 0.000 1.135 642 S CA -0.646 57.828 58.200 0.456 0.000 1.020 642 S CB 0.166 63.599 63.200 0.387 0.000 1.159 642 S HN 0.622 nan 8.310 nan 0.000 0.534 643 H N 2.145 121.294 119.070 0.131 0.000 2.683 643 H HA 0.288 4.845 4.556 0.003 0.000 0.339 643 H C -2.142 172.926 175.328 -0.433 0.000 1.081 643 H CA -1.617 54.402 56.048 -0.048 0.000 1.432 643 H CB 0.561 30.305 29.762 -0.029 0.000 1.462 643 H HN 0.489 nan 8.280 nan 0.000 0.557 644 P HA -0.090 nan 4.420 nan 0.000 0.271 644 P C 0.212 177.156 177.300 -0.594 0.000 1.218 644 P CA 0.111 62.646 63.100 -0.942 0.000 0.780 644 P CB 0.871 32.355 31.700 -0.359 0.000 0.901 645 F N 2.418 121.959 119.950 -0.680 0.000 2.149 645 F HA 0.013 4.542 4.527 0.003 0.000 0.294 645 F C 1.567 177.307 175.800 -0.099 0.000 1.095 645 F CA 1.429 59.288 58.000 -0.236 0.000 1.276 645 F CB 0.086 39.056 39.000 -0.049 0.000 1.023 645 F HN 0.259 nan 8.300 nan 0.000 0.480 646 N N 0.713 119.499 118.700 0.144 0.000 2.380 646 N HA 0.181 4.922 4.740 0.003 0.000 0.255 646 N C -0.618 174.982 175.510 0.150 0.000 1.158 646 N CA 0.132 53.294 53.050 0.188 0.000 0.878 646 N CB 0.590 39.237 38.487 0.267 0.000 1.138 646 N HN 0.234 nan 8.380 nan 0.000 0.509 647 R N 0.144 120.694 120.500 0.082 0.000 2.764 647 R HA 0.365 4.707 4.340 0.003 0.000 0.270 647 R C -1.377 174.986 176.300 0.106 0.000 1.014 647 R CA -0.894 55.297 56.100 0.151 0.000 0.904 647 R CB 1.645 32.014 30.300 0.115 0.000 1.236 647 R HN -0.071 nan 8.270 nan 0.000 0.466 648 L N 3.090 124.426 121.223 0.189 0.000 2.321 648 L HA 0.321 4.663 4.340 0.003 0.000 0.272 648 L C 0.158 176.953 176.870 -0.125 0.000 1.050 648 L CA 0.420 55.184 54.840 -0.127 0.000 0.893 648 L CB -0.625 41.335 42.059 -0.165 0.000 1.272 648 L HN 0.668 nan 8.230 nan 0.000 0.435 649 H N 1.572 120.587 119.070 -0.092 0.000 1.452 649 H HA -0.282 4.275 4.556 0.002 0.000 0.090 649 H C 1.391 176.789 175.328 0.117 0.000 0.623 649 H CA 1.707 57.720 56.048 -0.059 0.000 1.901 649 H CB -1.637 28.083 29.762 -0.070 0.000 2.257 649 H HN 0.661 nan 8.280 nan 0.000 0.961 650 S N 2.800 118.737 115.700 0.394 0.000 2.558 650 S HA 0.067 4.539 4.470 0.003 0.000 0.217 650 S C 0.565 175.491 174.600 0.542 0.000 0.975 650 S CA 0.310 58.810 58.200 0.501 0.000 0.912 650 S CB 0.169 63.712 63.200 0.570 0.000 0.776 650 S HN 0.414 nan 8.310 nan 0.000 0.526 651 Q N 0.956 121.023 119.800 0.445 0.000 2.352 651 Q HA 0.426 4.768 4.340 0.003 0.000 0.260 651 Q C 0.255 176.483 176.000 0.381 0.000 0.976 651 Q CA 0.338 56.425 55.803 0.474 0.000 0.881 651 Q CB 0.469 29.564 28.738 0.594 0.000 1.235 651 Q HN 0.457 nan 8.270 nan 0.000 0.419 652 L N 0.283 121.686 121.223 0.301 0.000 4.885 652 L HA -0.306 4.035 4.340 0.003 0.000 0.404 652 L C 1.188 178.055 176.870 -0.005 0.000 0.970 652 L CA 0.091 55.009 54.840 0.130 0.000 1.426 652 L CB -1.399 40.712 42.059 0.087 0.000 1.934 652 L HN 0.650 nan 8.230 nan 0.000 0.613 653 N N 1.633 120.254 118.700 -0.131 0.000 2.188 653 N HA -0.039 4.702 4.740 0.003 0.000 0.184 653 N C 1.457 176.566 175.510 -0.668 0.000 1.018 653 N CA 1.738 54.524 53.050 -0.440 0.000 0.858 653 N CB -0.014 37.930 38.487 -0.904 0.000 0.989 653 N HN 0.478 nan 8.380 nan 0.000 0.426 654 G N 0.024 108.387 108.800 -0.728 0.000 3.574 654 G HA2 0.222 4.183 3.960 0.003 0.000 0.262 654 G HA3 0.222 4.183 3.960 0.003 0.000 0.262 654 G C -0.159 174.655 174.900 -0.144 0.000 1.231 654 G CA 0.291 45.176 45.100 -0.359 0.000 1.608 654 G HN 0.425 nan 8.290 nan 0.000 0.628 655 T N -4.093 110.332 114.554 -0.214 0.000 2.812 655 T HA 0.350 4.702 4.350 0.003 0.000 0.294 655 T C 1.386 175.964 174.700 -0.203 0.000 1.159 655 T CA 0.113 62.129 62.100 -0.140 0.000 1.008 655 T CB 1.355 70.165 68.868 -0.097 0.000 1.289 655 T HN 0.400 nan 8.240 nan 0.000 0.514 656 V N 0.244 120.060 119.914 -0.162 0.000 2.688 656 V HA -0.064 4.058 4.120 0.003 0.000 0.256 656 V C 2.400 178.371 176.094 -0.205 0.000 1.084 656 V CA 1.469 63.662 62.300 -0.178 0.000 1.103 656 V CB -1.689 30.049 31.823 -0.140 0.000 0.688 656 V HN 0.795 nan 8.190 nan 0.000 0.480 657 L N -0.187 120.929 121.223 -0.179 0.000 2.127 657 L HA -0.184 4.158 4.340 0.003 0.000 0.211 657 L C 2.943 179.591 176.870 -0.371 0.000 1.089 657 L CA 2.192 56.940 54.840 -0.154 0.000 0.757 657 L CB -0.764 41.289 42.059 -0.009 0.000 0.899 657 L HN 0.297 nan 8.230 nan 0.000 0.434 658 R N 0.668 120.847 120.500 -0.534 0.000 2.117 658 R HA -0.270 4.071 4.340 0.003 0.000 0.243 658 R C 2.196 178.006 176.300 -0.816 0.000 1.143 658 R CA 1.988 57.525 56.100 -0.938 0.000 0.968 658 R CB -0.098 29.768 30.300 -0.724 0.000 0.863 658 R HN 0.351 nan 8.270 nan 0.000 0.444 659 E N -0.753 119.158 120.200 -0.481 0.000 2.204 659 E HA -0.101 4.250 4.350 0.003 0.000 0.195 659 E C 1.598 178.044 176.600 -0.258 0.000 0.990 659 E CA 1.529 57.743 56.400 -0.310 0.000 0.821 659 E CB -0.311 29.254 29.700 -0.226 0.000 0.750 659 E HN 0.465 nan 8.360 nan 0.000 0.477 660 G N -0.862 107.775 108.800 -0.272 0.000 2.572 660 G HA2 -0.171 3.790 3.960 0.003 0.000 0.216 660 G HA3 -0.171 3.790 3.960 0.003 0.000 0.216 660 G C 0.854 175.729 174.900 -0.041 0.000 1.133 660 G CA 0.950 45.976 45.100 -0.123 0.000 0.791 660 G HN 0.521 nan 8.290 nan 0.000 0.538 661 Y N -2.179 118.119 120.300 -0.005 0.000 2.540 661 Y HA 0.705 5.256 4.550 0.002 0.000 0.257 661 Y C 1.034 176.951 175.900 0.028 0.000 1.090 661 Y CA -1.203 56.911 58.100 0.023 0.000 1.242 661 Y CB -0.492 38.008 38.460 0.068 0.000 1.325 661 Y HN 0.141 nan 8.280 nan 0.000 0.544 662 A N 1.664 124.443 122.820 -0.068 0.000 2.462 662 A HA 0.527 4.849 4.320 0.003 0.000 0.243 662 A C -0.396 177.216 177.584 0.046 0.000 1.076 662 A CA -0.182 51.880 52.037 0.042 0.000 0.773 662 A CB 0.215 19.179 19.000 -0.061 0.000 1.010 662 A HN 0.199 nan 8.150 nan 0.000 0.493 663 V N 3.960 123.927 119.914 0.087 0.000 2.334 663 V HA 0.240 4.361 4.120 0.003 0.000 0.281 663 V C 0.312 176.477 176.094 0.118 0.000 1.016 663 V CA -0.194 62.153 62.300 0.080 0.000 0.832 663 V CB 0.347 32.217 31.823 0.077 0.000 0.999 663 V HN 1.078 nan 8.190 nan 0.000 0.439 664 Q N 3.724 123.569 119.800 0.076 0.000 2.453 664 Q HA -0.295 4.046 4.340 0.003 0.000 0.294 664 Q C 1.311 177.305 176.000 -0.010 0.000 1.295 664 Q CA 0.827 56.677 55.803 0.078 0.000 0.853 664 Q CB -1.342 27.486 28.738 0.151 0.000 1.193 664 Q HN 1.505 nan 8.270 nan 0.000 0.461 665 G N -1.357 107.399 108.800 -0.072 0.000 2.253 665 G HA2 -0.297 3.664 3.960 0.003 0.000 0.251 665 G HA3 -0.297 3.664 3.960 0.003 0.000 0.251 665 G C 0.061 174.871 174.900 -0.150 0.000 0.998 665 G CA 0.447 45.451 45.100 -0.160 0.000 0.621 665 G HN 0.584 nan 8.290 nan 0.000 0.524 666 H N 0.534 119.642 119.070 0.062 0.000 2.517 666 H HA 0.563 5.121 4.556 0.003 0.000 0.346 666 H C 0.282 175.487 175.328 -0.205 0.000 1.222 666 H CA -0.407 55.567 56.048 -0.123 0.000 1.314 666 H CB 1.258 30.930 29.762 -0.151 0.000 1.609 666 H HN 0.229 nan 8.280 nan 0.000 0.571 667 E N 2.623 122.525 120.200 -0.497 0.000 2.414 667 E HA 0.068 4.420 4.350 0.003 0.000 0.263 667 E C -2.328 174.263 176.600 -0.015 0.000 1.000 667 E CA -1.455 54.832 56.400 -0.189 0.000 0.914 667 E CB 0.184 29.724 29.700 -0.266 0.000 0.948 667 E HN 0.250 nan 8.360 nan 0.000 0.444 668 P HA 0.053 nan 4.420 nan 0.000 0.275 668 P C -0.712 176.568 177.300 -0.033 0.000 1.228 668 P CA -0.421 62.701 63.100 0.036 0.000 0.786 668 P CB 0.829 32.570 31.700 0.068 0.000 0.927 669 C N 5.316 124.594 119.300 -0.037 0.000 2.340 669 C HA 0.503 4.965 4.460 0.003 0.000 0.323 669 C C -0.335 174.627 174.990 -0.046 0.000 1.260 669 C CA -0.782 58.204 59.018 -0.054 0.000 1.464 669 C CB -0.884 26.833 27.740 -0.038 0.000 2.156 669 C HN 0.430 nan 8.230 nan 0.000 0.476 670 L N 6.664 127.847 121.223 -0.067 0.000 2.326 670 L HA 0.572 4.914 4.340 0.003 0.000 0.278 670 L C 0.076 176.946 176.870 0.000 0.000 1.092 670 L CA 0.104 54.922 54.840 -0.038 0.000 0.810 670 L CB 1.338 43.364 42.059 -0.056 0.000 1.153 670 L HN 0.744 nan 8.230 nan 0.000 0.439 671 M N 3.071 122.681 119.600 0.018 0.000 2.371 671 M HA 0.311 4.793 4.480 0.003 0.000 0.287 671 M C -0.824 175.517 176.300 0.068 0.000 1.149 671 M CA -0.637 54.695 55.300 0.054 0.000 0.929 671 M CB 2.317 34.942 32.600 0.041 0.000 1.683 671 M HN 0.556 nan 8.290 nan 0.000 0.470 672 H N 5.335 124.417 119.070 0.019 0.000 2.928 672 H HA 0.159 4.716 4.556 0.003 0.000 0.338 672 H C -1.968 173.370 175.328 0.018 0.000 1.047 672 H CA -0.180 55.880 56.048 0.021 0.000 1.435 672 H CB 1.273 31.049 29.762 0.024 0.000 1.428 672 H HN 0.474 nan 8.280 nan 0.000 0.590 673 P HA -0.160 nan 4.420 nan 0.000 0.217 673 P C 0.762 178.115 177.300 0.090 0.000 1.148 673 P CA 1.258 64.303 63.100 -0.092 0.000 0.828 673 P CB 0.433 32.033 31.700 -0.168 0.000 0.783 674 D N -0.833 119.770 120.400 0.339 0.000 2.137 674 D HA -0.105 4.536 4.640 0.003 0.000 0.202 674 D C 1.610 178.004 176.300 0.156 0.000 0.970 674 D CA 0.950 55.093 54.000 0.238 0.000 0.837 674 D CB -0.709 40.215 40.800 0.207 0.000 0.981 674 D HN 0.142 nan 8.370 nan 0.000 0.475 675 D N 0.504 121.018 120.400 0.190 0.000 2.144 675 D HA -0.066 4.576 4.640 0.003 0.000 0.200 675 D C 1.949 178.298 176.300 0.082 0.000 0.978 675 D CA 0.955 55.016 54.000 0.101 0.000 0.833 675 D CB -0.066 40.791 40.800 0.095 0.000 0.961 675 D HN 0.129 nan 8.370 nan 0.000 0.470 676 A N 1.220 124.090 122.820 0.083 0.000 1.897 676 A HA 0.032 4.354 4.320 0.003 0.000 0.215 676 A C 2.345 179.957 177.584 0.047 0.000 1.181 676 A CA 1.862 53.932 52.037 0.054 0.000 0.620 676 A CB -0.632 18.392 19.000 0.039 0.000 0.821 676 A HN 0.216 nan 8.150 nan 0.000 0.443 677 A N 0.040 122.890 122.820 0.049 0.000 1.940 677 A HA 0.120 4.441 4.320 0.003 0.000 0.219 677 A C 2.457 180.065 177.584 0.038 0.000 1.176 677 A CA 2.080 54.141 52.037 0.039 0.000 0.631 677 A CB -0.994 18.030 19.000 0.040 0.000 0.814 677 A HN 1.108 nan 8.150 nan 0.000 0.446 678 A N -0.403 122.444 122.820 0.044 0.000 2.024 678 A HA -0.137 4.184 4.320 0.003 0.000 0.220 678 A C 2.050 179.657 177.584 0.037 0.000 1.164 678 A CA 1.566 53.626 52.037 0.038 0.000 0.643 678 A CB -0.301 18.722 19.000 0.038 0.000 0.806 678 A HN 0.559 nan 8.150 nan 0.000 0.451 679 R N -1.641 118.883 120.500 0.041 0.000 2.468 679 R HA 0.319 4.661 4.340 0.003 0.000 0.280 679 R C 0.982 177.304 176.300 0.037 0.000 0.963 679 R CA 0.426 56.552 56.100 0.042 0.000 1.083 679 R CB 0.167 30.497 30.300 0.050 0.000 1.200 679 R HN 0.550 nan 8.270 nan 0.000 0.541 680 G N 1.766 110.585 108.800 0.031 0.000 2.249 680 G HA2 -0.289 3.672 3.960 0.003 0.000 0.273 680 G HA3 -0.289 3.672 3.960 0.003 0.000 0.273 680 G C 0.082 174.998 174.900 0.026 0.000 1.036 680 G CA 0.080 45.195 45.100 0.026 0.000 0.824 680 G HN 0.289 nan 8.290 nan 0.000 0.504 681 I N 0.707 121.295 120.570 0.030 0.000 2.396 681 I HA 0.601 4.773 4.170 0.003 0.000 0.292 681 I C 0.745 176.876 176.117 0.023 0.000 0.999 681 I CA -0.252 61.066 61.300 0.029 0.000 1.310 681 I CB 1.637 39.657 38.000 0.033 0.000 1.404 681 I HN 0.297 nan 8.210 nan 0.000 0.496 682 A N 4.189 127.021 122.820 0.021 0.000 2.330 682 A HA 0.418 4.739 4.320 0.003 0.000 0.329 682 A C -0.773 176.820 177.584 0.015 0.000 1.135 682 A CA -0.639 51.407 52.037 0.016 0.000 0.817 682 A CB 1.030 20.038 19.000 0.015 0.000 1.269 682 A HN 0.704 nan 8.150 nan 0.000 0.469 683 D N -0.092 120.314 120.400 0.009 0.000 2.493 683 D HA 0.377 5.019 4.640 0.003 0.000 0.240 683 D C 1.372 177.681 176.300 0.015 0.000 1.142 683 D CA 2.305 56.310 54.000 0.008 0.000 0.872 683 D CB 0.310 41.111 40.800 0.003 0.000 1.173 683 D HN 1.325 nan 8.370 nan 0.000 0.467 684 G N 2.984 111.795 108.800 0.019 0.000 2.217 684 G HA2 -0.245 3.716 3.960 0.003 0.000 0.246 684 G HA3 -0.245 3.716 3.960 0.003 0.000 0.246 684 G C 0.151 175.073 174.900 0.035 0.000 0.990 684 G CA 0.114 45.230 45.100 0.028 0.000 0.627 684 G HN 0.618 nan 8.290 nan 0.000 0.522 685 D N 0.301 120.720 120.400 0.031 0.000 2.362 685 D HA 0.448 5.089 4.640 0.003 0.000 0.242 685 D C 0.798 177.116 176.300 0.031 0.000 1.132 685 D CA -0.062 53.961 54.000 0.038 0.000 0.907 685 D CB 1.569 42.391 40.800 0.036 0.000 1.195 685 D HN 0.164 nan 8.370 nan 0.000 0.429 686 V N 1.960 121.896 119.914 0.038 0.000 2.461 686 V HA 0.304 4.425 4.120 0.003 0.000 0.275 686 V C 0.482 176.578 176.094 0.002 0.000 1.047 686 V CA -0.427 61.855 62.300 -0.031 0.000 0.955 686 V CB 1.119 32.913 31.823 -0.049 0.000 0.988 686 V HN 0.371 nan 8.190 nan 0.000 0.471 687 V N 3.004 122.884 119.914 -0.057 0.000 3.001 687 V HA 0.735 4.857 4.120 0.003 0.000 0.314 687 V C -0.443 175.638 176.094 -0.023 0.000 1.099 687 V CA -1.226 61.082 62.300 0.015 0.000 0.989 687 V CB 1.982 33.815 31.823 0.017 0.000 1.040 687 V HN 0.862 nan 8.190 nan 0.000 0.434 688 R N 1.746 122.290 120.500 0.074 0.000 2.338 688 R HA 0.767 5.109 4.340 0.003 0.000 0.317 688 R C -1.640 174.746 176.300 0.142 0.000 0.968 688 R CA -0.472 55.667 56.100 0.065 0.000 0.849 688 R CB 1.861 32.237 30.300 0.127 0.000 1.128 688 R HN 0.759 nan 8.270 nan 0.000 0.448 689 V N 5.295 125.257 119.914 0.079 0.000 2.435 689 V HA 0.433 4.555 4.120 0.003 0.000 0.290 689 V C -0.627 175.510 176.094 0.071 0.000 1.030 689 V CA -0.546 61.778 62.300 0.041 0.000 0.881 689 V CB 1.114 32.920 31.823 -0.028 0.000 0.983 689 V HN 1.048 nan 8.190 nan 0.000 0.445 690 H N 2.381 121.398 119.070 -0.088 0.000 3.014 690 H HA 0.849 5.406 4.556 0.003 0.000 0.337 690 H C -0.754 174.388 175.328 -0.310 0.000 1.320 690 H CA -0.937 55.035 56.048 -0.127 0.000 1.128 690 H CB 1.640 31.374 29.762 -0.046 0.000 1.862 690 H HN 0.602 nan 8.280 nan 0.000 0.536 691 N N -0.784 117.722 118.700 -0.322 0.000 3.526 691 N HA 0.158 4.900 4.740 0.003 0.000 0.328 691 N C -0.595 174.807 175.510 -0.180 0.000 1.601 691 N CA -0.648 51.947 53.050 -0.759 0.000 0.834 691 N CB -0.028 37.912 38.487 -0.912 0.000 1.983 691 N HN 0.531 nan 8.380 nan 0.000 0.579 692 D N -0.789 119.578 120.400 -0.054 0.000 2.348 692 D HA 0.077 4.718 4.640 0.003 0.000 0.216 692 D C 1.032 177.345 176.300 0.022 0.000 0.970 692 D CA 0.713 54.764 54.000 0.085 0.000 0.889 692 D CB 0.105 40.985 40.800 0.134 0.000 0.912 692 D HN 0.396 nan 8.370 nan 0.000 0.524 693 R N -0.472 120.010 120.500 -0.030 0.000 2.206 693 R HA 0.367 4.708 4.340 0.003 0.000 0.198 693 R C 1.137 177.428 176.300 -0.015 0.000 0.986 693 R CA 0.466 56.551 56.100 -0.026 0.000 1.029 693 R CB 0.888 31.155 30.300 -0.054 0.000 0.966 693 R HN 0.073 nan 8.270 nan 0.000 0.487 694 G N 0.143 108.934 108.800 -0.015 0.000 2.489 694 G HA2 0.304 4.266 3.960 0.003 0.000 0.305 694 G HA3 0.304 4.266 3.960 0.003 0.000 0.305 694 G C -1.988 172.934 174.900 0.037 0.000 1.311 694 G CA -0.809 44.301 45.100 0.016 0.000 0.813 694 G HN 0.108 nan 8.290 nan 0.000 0.480 695 Q N -1.174 118.661 119.800 0.058 0.000 2.352 695 Q HA 0.677 5.019 4.340 0.003 0.000 0.270 695 Q C -1.016 175.018 176.000 0.056 0.000 1.006 695 Q CA -1.019 54.828 55.803 0.073 0.000 0.880 695 Q CB 2.352 31.133 28.738 0.070 0.000 1.392 695 Q HN 1.263 nan 8.270 nan 0.000 0.401 696 I N -0.891 119.699 120.570 0.034 0.000 2.969 696 I HA 0.680 4.851 4.170 0.003 0.000 0.307 696 I C -1.613 174.465 176.117 -0.065 0.000 1.149 696 I CA -1.601 59.704 61.300 0.009 0.000 1.008 696 I CB 2.020 40.037 38.000 0.029 0.000 1.232 696 I HN 0.651 nan 8.210 nan 0.000 0.435 697 L N 3.323 124.470 121.223 -0.128 0.000 2.325 697 L HA 0.698 5.039 4.340 0.003 0.000 0.278 697 L C 0.035 176.741 176.870 -0.273 0.000 1.023 697 L CA -0.390 54.279 54.840 -0.285 0.000 0.811 697 L CB 1.999 43.751 42.059 -0.512 0.000 1.249 697 L HN 0.881 nan 8.230 nan 0.000 0.431 698 T N -1.120 113.269 114.554 -0.275 0.000 2.865 698 T HA 0.711 5.062 4.350 0.003 0.000 0.294 698 T C -0.263 174.330 174.700 -0.179 0.000 1.119 698 T CA -0.778 61.210 62.100 -0.187 0.000 1.007 698 T CB 1.942 70.750 68.868 -0.100 0.000 1.225 698 T HN 0.636 nan 8.240 nan 0.000 0.515 699 G N 0.295 109.068 108.800 -0.046 0.000 2.368 699 G HA2 0.577 4.538 3.960 0.003 0.000 0.320 699 G HA3 0.577 4.538 3.960 0.003 0.000 0.320 699 G C -0.753 174.151 174.900 0.006 0.000 1.158 699 G CA -0.632 44.474 45.100 0.010 0.000 0.912 699 G HN 0.782 nan 8.290 nan 0.000 0.456 700 V N 2.044 121.961 119.914 0.005 0.000 2.686 700 V HA 0.379 4.500 4.120 0.003 0.000 0.295 700 V C 0.193 176.292 176.094 0.009 0.000 1.057 700 V CA -0.358 61.944 62.300 0.003 0.000 1.012 700 V CB 1.593 33.420 31.823 0.007 0.000 1.006 700 V HN 0.674 nan 8.190 nan 0.000 0.477 701 K N 2.908 123.309 120.400 0.001 0.000 2.413 701 K HA 0.551 4.872 4.320 0.003 0.000 0.257 701 K C -1.256 175.340 176.600 -0.007 0.000 0.946 701 K CA -0.563 55.724 56.287 -0.001 0.000 0.823 701 K CB 2.082 34.581 32.500 -0.002 0.000 1.109 701 K HN 0.439 nan 8.250 nan 0.000 0.427 702 V N 3.586 123.494 119.914 -0.010 0.000 2.408 702 V HA 0.285 4.407 4.120 0.003 0.000 0.267 702 V C -0.263 175.807 176.094 -0.041 0.000 1.047 702 V CA -0.054 62.232 62.300 -0.022 0.000 0.937 702 V CB 0.764 32.574 31.823 -0.021 0.000 0.999 702 V HN 0.835 nan 8.190 nan 0.000 0.472 703 T N 2.244 116.764 114.554 -0.057 0.000 2.932 703 T HA 0.295 4.647 4.350 0.003 0.000 0.318 703 T C 0.008 174.640 174.700 -0.114 0.000 1.265 703 T CA -0.609 61.452 62.100 -0.065 0.000 1.036 703 T CB 1.845 70.698 68.868 -0.024 0.000 1.209 703 T HN 0.739 nan 8.240 nan 0.000 0.484 704 D N 0.441 120.767 120.400 -0.123 0.000 2.328 704 D HA 0.230 4.871 4.640 0.003 0.000 0.221 704 D C 1.690 178.017 176.300 0.045 0.000 1.072 704 D CA -0.100 53.823 54.000 -0.129 0.000 0.850 704 D CB -0.243 40.468 40.800 -0.148 0.000 0.922 704 D HN 0.554 nan 8.370 nan 0.000 0.516 705 A N 0.415 123.263 122.820 0.047 0.000 2.070 705 A HA 0.086 4.407 4.320 0.003 0.000 0.220 705 A C 1.208 178.872 177.584 0.133 0.000 1.159 705 A CA 1.005 53.097 52.037 0.092 0.000 0.656 705 A CB -0.611 18.427 19.000 0.063 0.000 0.800 705 A HN 0.314 nan 8.150 nan 0.000 0.453 706 V N -1.379 118.613 119.914 0.129 0.000 2.539 706 V HA 0.565 4.686 4.120 0.003 0.000 0.292 706 V C 0.134 176.352 176.094 0.208 0.000 1.045 706 V CA -0.963 61.428 62.300 0.152 0.000 0.945 706 V CB 0.772 32.668 31.823 0.121 0.000 0.993 706 V HN 0.526 nan 8.190 nan 0.000 0.464 707 M N 1.348 121.035 119.600 0.145 0.000 2.240 707 M HA 0.450 4.932 4.480 0.003 0.000 0.333 707 M C 0.145 176.445 176.300 0.001 0.000 1.110 707 M CA -0.302 55.046 55.300 0.080 0.000 1.173 707 M CB 0.197 32.805 32.600 0.014 0.000 1.458 707 M HN 0.698 nan 8.290 nan 0.000 0.458 708 K N 1.169 121.428 120.400 -0.234 0.000 2.489 708 K HA 0.207 4.528 4.320 0.003 0.000 0.278 708 K C 0.962 177.485 176.600 -0.128 0.000 1.000 708 K CA 1.587 57.643 56.287 -0.386 0.000 1.012 708 K CB -0.023 32.168 32.500 -0.515 0.000 0.903 708 K HN 0.962 nan 8.250 nan 0.000 0.485 709 G N 1.673 110.439 108.800 -0.057 0.000 2.213 709 G HA2 -0.220 3.741 3.960 0.003 0.000 0.236 709 G HA3 -0.220 3.741 3.960 0.003 0.000 0.236 709 G C -0.391 174.546 174.900 0.063 0.000 0.991 709 G CA 0.030 45.134 45.100 0.007 0.000 0.629 709 G HN 0.533 nan 8.290 nan 0.000 0.517 710 V N 2.158 122.115 119.914 0.071 0.000 2.604 710 V HA 0.770 4.892 4.120 0.003 0.000 0.305 710 V C 0.350 176.504 176.094 0.101 0.000 1.043 710 V CA -0.435 61.936 62.300 0.118 0.000 0.888 710 V CB 1.796 33.694 31.823 0.126 0.000 0.995 710 V HN 0.727 nan 8.190 nan 0.000 0.429 711 I N 1.320 121.944 120.570 0.090 0.000 2.646 711 I HA 0.704 4.875 4.170 0.003 0.000 0.299 711 I C -0.676 175.463 176.117 0.036 0.000 1.036 711 I CA -0.737 60.593 61.300 0.049 0.000 1.074 711 I CB 2.035 40.048 38.000 0.021 0.000 1.258 711 I HN 0.638 nan 8.210 nan 0.000 0.430 712 Q N 5.218 125.010 119.800 -0.013 0.000 2.341 712 Q HA 0.630 4.972 4.340 0.003 0.000 0.268 712 Q C -1.728 174.184 176.000 -0.148 0.000 1.013 712 Q CA -0.601 55.161 55.803 -0.069 0.000 0.798 712 Q CB 1.726 30.384 28.738 -0.133 0.000 1.253 712 Q HN 0.790 nan 8.270 nan 0.000 0.457 713 I N 4.598 125.113 120.570 -0.092 0.000 2.476 713 I HA 0.240 4.411 4.170 0.003 0.000 0.281 713 I C -1.028 175.118 176.117 0.047 0.000 1.040 713 I CA -0.866 60.394 61.300 -0.066 0.000 1.094 713 I CB 0.853 38.843 38.000 -0.017 0.000 1.219 713 I HN 0.560 nan 8.210 nan 0.000 0.450 714 Y N 3.930 124.271 120.300 0.069 0.000 2.480 714 Y HA 0.099 4.650 4.550 0.003 0.000 0.338 714 Y C 0.993 176.950 175.900 0.095 0.000 1.220 714 Y CA -0.813 57.340 58.100 0.087 0.000 1.430 714 Y CB 0.381 38.878 38.460 0.062 0.000 1.311 714 Y HN 0.565 nan 8.280 nan 0.000 0.575 715 E N -0.003 120.364 120.200 0.278 0.000 2.409 715 E HA 0.433 4.785 4.350 0.003 0.000 0.257 715 E C 1.087 177.799 176.600 0.187 0.000 1.150 715 E CA 0.176 56.686 56.400 0.183 0.000 0.942 715 E CB 0.244 30.017 29.700 0.122 0.000 0.979 715 E HN 0.761 nan 8.360 nan 0.000 0.447 716 G N 0.286 109.210 108.800 0.206 0.000 2.176 716 G HA2 -0.186 3.776 3.960 0.003 0.000 0.232 716 G HA3 -0.186 3.776 3.960 0.003 0.000 0.232 716 G C 0.505 175.643 174.900 0.397 0.000 0.986 716 G CA -0.249 45.016 45.100 0.275 0.000 0.643 716 G HN 0.972 nan 8.290 nan 0.000 0.522 717 G N -0.266 108.795 108.800 0.435 0.000 2.365 717 G HA2 0.345 4.307 3.960 0.003 0.000 0.249 717 G HA3 0.345 4.307 3.960 0.003 0.000 0.249 717 G C 0.227 175.534 174.900 0.678 0.000 1.288 717 G CA -0.266 45.223 45.100 0.648 0.000 0.887 717 G HN 0.300 nan 8.290 nan 0.000 0.524 718 W N 2.541 124.009 121.300 0.280 0.000 2.745 718 W HA 0.165 4.826 4.660 0.002 0.000 0.370 718 W C 0.486 177.109 176.519 0.173 0.000 1.274 718 W CA -1.334 56.070 57.345 0.098 0.000 1.502 718 W CB -1.002 28.348 29.460 -0.182 0.000 1.589 718 W HN 0.481 nan 8.180 nan 0.000 0.482 719 Y N 3.808 124.276 120.300 0.281 0.000 2.916 719 Y HA -0.127 4.424 4.550 0.003 0.000 0.344 719 Y C 0.289 176.271 175.900 0.137 0.000 1.282 719 Y CA 0.901 59.118 58.100 0.195 0.000 1.604 719 Y CB 0.173 38.704 38.460 0.119 0.000 1.207 719 Y HN 0.308 nan 8.280 nan 0.000 0.561 720 D N 9.173 129.450 120.400 -0.204 0.000 2.412 720 D HA 0.289 4.930 4.640 0.003 0.000 0.276 720 D C -2.975 173.106 176.300 -0.365 0.000 1.196 720 D CA -2.189 51.654 54.000 -0.262 0.000 0.905 720 D CB 0.780 41.535 40.800 -0.075 0.000 1.081 720 D HN 0.263 nan 8.370 nan 0.000 0.502 721 P HA 0.069 nan 4.420 nan 0.000 0.271 721 P C 0.703 177.895 177.300 -0.180 0.000 1.220 721 P CA -0.149 62.700 63.100 -0.418 0.000 0.768 721 P CB 1.545 32.998 31.700 -0.412 0.000 0.848 722 S N 1.408 117.048 115.700 -0.101 0.000 2.359 722 S HA -0.140 4.331 4.470 0.003 0.000 0.224 722 S C 0.768 175.341 174.600 -0.046 0.000 1.035 722 S CA 1.549 59.718 58.200 -0.052 0.000 1.018 722 S CB -0.385 62.805 63.200 -0.017 0.000 0.876 722 S HN 0.658 nan 8.310 nan 0.000 0.448 723 D N -0.164 120.215 120.400 -0.034 0.000 2.764 723 D HA 0.207 4.849 4.640 0.003 0.000 0.227 723 D C 0.591 176.889 176.300 -0.003 0.000 1.347 723 D CA -0.377 53.609 54.000 -0.024 0.000 0.953 723 D CB 1.552 42.347 40.800 -0.009 0.000 1.476 723 D HN -0.004 nan 8.370 nan 0.000 0.585 724 V N 2.166 122.073 119.914 -0.011 0.000 2.913 724 V HA -0.062 4.059 4.120 0.003 0.000 0.260 724 V C 1.579 177.700 176.094 0.046 0.000 1.098 724 V CA 2.245 64.566 62.300 0.036 0.000 1.121 724 V CB -1.178 30.652 31.823 0.012 0.000 0.714 724 V HN 0.675 nan 8.190 nan 0.000 0.487 725 T N -1.607 112.959 114.554 0.020 0.000 3.100 725 T HA 0.087 4.439 4.350 0.003 0.000 0.253 725 T C 0.739 175.458 174.700 0.032 0.000 1.118 725 T CA 0.588 62.704 62.100 0.025 0.000 1.058 725 T CB -0.311 68.562 68.868 0.009 0.000 0.953 725 T HN 0.787 nan 8.240 nan 0.000 0.515 726 E N 3.262 123.482 120.200 0.034 0.000 2.109 726 E HA 0.270 4.621 4.350 0.003 0.000 0.278 726 E C -2.569 174.061 176.600 0.050 0.000 0.954 726 E CA -2.984 53.437 56.400 0.035 0.000 0.779 726 E CB 1.239 30.955 29.700 0.027 0.000 1.093 726 E HN 0.154 nan 8.360 nan 0.000 0.401 727 P HA 0.010 nan 4.420 nan 0.000 0.264 727 P C 0.583 177.915 177.300 0.053 0.000 1.193 727 P CA 0.944 64.076 63.100 0.052 0.000 0.763 727 P CB 0.698 32.422 31.700 0.041 0.000 0.810 728 G N 1.656 110.494 108.800 0.064 0.000 2.153 728 G HA2 -0.259 3.703 3.960 0.003 0.000 0.252 728 G HA3 -0.259 3.703 3.960 0.003 0.000 0.252 728 G C 0.461 175.402 174.900 0.069 0.000 0.994 728 G CA 0.382 45.520 45.100 0.063 0.000 0.698 728 G HN 0.819 nan 8.290 nan 0.000 0.521 729 T N -0.048 114.553 114.554 0.077 0.000 2.939 729 T HA 0.288 4.639 4.350 0.003 0.000 0.319 729 T C 0.851 175.589 174.700 0.063 0.000 1.082 729 T CA 0.131 62.266 62.100 0.059 0.000 1.133 729 T CB 0.250 69.147 68.868 0.048 0.000 1.019 729 T HN 0.964 nan 8.240 nan 0.000 0.548 730 L N 4.595 125.840 121.223 0.037 0.000 2.499 730 L HA 0.254 4.596 4.340 0.003 0.000 0.273 730 L C 0.184 177.058 176.870 0.006 0.000 1.195 730 L CA 0.051 54.906 54.840 0.025 0.000 0.882 730 L CB 0.517 42.578 42.059 0.002 0.000 1.133 730 L HN 0.652 nan 8.230 nan 0.000 0.483 731 D N 3.561 123.982 120.400 0.034 0.000 2.317 731 D HA 0.117 4.758 4.640 0.003 0.000 0.252 731 D C 0.482 176.792 176.300 0.017 0.000 1.174 731 D CA 0.049 54.055 54.000 0.009 0.000 0.866 731 D CB 0.938 41.839 40.800 0.167 0.000 1.127 731 D HN 0.589 nan 8.370 nan 0.000 0.467 732 K N 2.969 123.382 120.400 0.021 0.000 2.418 732 K HA -0.081 4.241 4.320 0.003 0.000 0.195 732 K C 0.809 177.565 176.600 0.260 0.000 1.035 732 K CA 0.362 56.703 56.287 0.091 0.000 1.003 732 K CB 0.289 32.835 32.500 0.078 0.000 0.793 732 K HN 0.493 nan 8.250 nan 0.000 0.494 733 Y N 0.374 120.764 120.300 0.150 0.000 2.314 733 Y HA 0.184 4.735 4.550 0.003 0.000 0.294 733 Y C 0.920 176.976 175.900 0.261 0.000 1.139 733 Y CA 1.090 59.333 58.100 0.238 0.000 1.162 733 Y CB 1.047 39.621 38.460 0.190 0.000 1.121 733 Y HN 0.021 nan 8.280 nan 0.000 0.529 734 G N 1.381 110.188 108.800 0.012 0.000 2.398 734 G HA2 -0.100 3.862 3.960 0.003 0.000 0.221 734 G HA3 -0.100 3.862 3.960 0.003 0.000 0.221 734 G C -1.513 173.478 174.900 0.152 0.000 1.112 734 G CA -0.233 44.833 45.100 -0.055 0.000 0.823 734 G HN 0.313 nan 8.290 nan 0.000 0.487 735 D N 0.759 121.322 120.400 0.271 0.000 2.352 735 D HA 0.300 4.942 4.640 0.003 0.000 0.245 735 D C 1.431 177.816 176.300 0.143 0.000 1.224 735 D CA 0.100 54.261 54.000 0.268 0.000 0.879 735 D CB 1.502 42.500 40.800 0.331 0.000 1.057 735 D HN 0.210 nan 8.370 nan 0.000 0.491 736 V N 4.711 124.691 119.914 0.109 0.000 2.867 736 V HA -0.140 3.982 4.120 0.003 0.000 0.260 736 V C 1.260 177.362 176.094 0.014 0.000 1.099 736 V CA 1.302 63.634 62.300 0.054 0.000 1.122 736 V CB -0.470 31.391 31.823 0.063 0.000 0.708 736 V HN 0.503 nan 8.190 nan 0.000 0.490 737 N N -0.266 118.435 118.700 0.002 0.000 2.461 737 N HA 0.026 4.768 4.740 0.003 0.000 0.188 737 N C 1.381 176.829 175.510 -0.104 0.000 1.134 737 N CA 0.757 53.770 53.050 -0.062 0.000 0.878 737 N CB 0.596 39.030 38.487 -0.088 0.000 0.972 737 N HN 0.430 nan 8.380 nan 0.000 0.456 738 V N 0.395 120.271 119.914 -0.063 0.000 2.667 738 V HA -0.054 4.067 4.120 0.003 0.000 0.252 738 V C 1.854 177.914 176.094 -0.056 0.000 1.065 738 V CA 1.098 63.363 62.300 -0.058 0.000 1.083 738 V CB -0.088 31.763 31.823 0.047 0.000 0.692 738 V HN 0.271 nan 8.190 nan 0.000 0.468 739 L N -0.234 120.953 121.223 -0.060 0.000 2.616 739 L HA 0.201 4.542 4.340 0.003 0.000 0.229 739 L C 1.263 178.073 176.870 -0.100 0.000 1.110 739 L CA 0.051 54.840 54.840 -0.085 0.000 0.884 739 L CB -0.070 41.931 42.059 -0.098 0.000 1.115 739 L HN 0.370 nan 8.230 nan 0.000 0.481 740 S N 0.312 115.956 115.700 -0.094 0.000 2.632 740 S HA 0.674 5.146 4.470 0.003 0.000 0.267 740 S C 0.082 174.616 174.600 -0.109 0.000 1.276 740 S CA -0.581 57.561 58.200 -0.096 0.000 0.998 740 S CB 1.897 65.046 63.200 -0.084 0.000 0.953 740 S HN 0.104 nan 8.310 nan 0.000 0.547 741 A N 0.337 123.092 122.820 -0.108 0.000 2.295 741 A HA 0.553 4.875 4.320 0.003 0.000 0.318 741 A C -0.321 177.178 177.584 -0.141 0.000 1.134 741 A CA -0.597 51.371 52.037 -0.116 0.000 0.827 741 A CB 0.465 19.396 19.000 -0.115 0.000 1.136 741 A HN 0.838 nan 8.150 nan 0.000 0.493 742 D N 1.248 121.564 120.400 -0.139 0.000 2.485 742 D HA 0.476 5.117 4.640 0.003 0.000 0.256 742 D C -0.633 175.602 176.300 -0.108 0.000 1.141 742 D CA -0.035 53.876 54.000 -0.149 0.000 0.942 742 D CB -0.300 40.429 40.800 -0.119 0.000 1.003 742 D HN 0.513 nan 8.370 nan 0.000 0.507 743 I N -1.213 119.286 120.570 -0.120 0.000 2.865 743 I HA 0.771 4.942 4.170 0.003 0.000 0.302 743 I C 0.432 176.497 176.117 -0.087 0.000 1.140 743 I CA -1.353 59.881 61.300 -0.111 0.000 1.021 743 I CB 2.022 39.912 38.000 -0.183 0.000 1.233 743 I HN 0.125 nan 8.210 nan 0.000 0.427 744 G N 1.928 110.698 108.800 -0.049 0.000 2.544 744 G HA2 0.337 4.298 3.960 0.003 0.000 0.242 744 G HA3 0.337 4.298 3.960 0.003 0.000 0.242 744 G C 0.914 175.832 174.900 0.030 0.000 1.247 744 G CA 0.216 45.305 45.100 -0.018 0.000 0.840 744 G HN 0.930 nan 8.290 nan 0.000 0.578 745 T N -1.543 113.035 114.554 0.039 0.000 2.788 745 T HA 0.067 4.419 4.350 0.003 0.000 0.268 745 T C 1.237 175.977 174.700 0.067 0.000 1.044 745 T CA 1.371 63.514 62.100 0.072 0.000 1.139 745 T CB -0.389 68.513 68.868 0.057 0.000 0.867 745 T HN 1.589 nan 8.240 nan 0.000 0.454 746 S N -0.828 114.908 115.700 0.060 0.000 2.663 746 S HA 0.350 4.821 4.470 0.003 0.000 0.264 746 S C -0.136 174.451 174.600 -0.022 0.000 1.112 746 S CA -1.041 57.186 58.200 0.044 0.000 0.823 746 S CB 1.142 64.391 63.200 0.081 0.000 1.111 746 S HN 0.096 nan 8.310 nan 0.000 0.476 747 K N -0.140 120.158 120.400 -0.170 0.000 2.365 747 K HA 0.084 4.405 4.320 0.003 0.000 0.199 747 K C 1.758 178.166 176.600 -0.320 0.000 1.045 747 K CA 0.968 57.017 56.287 -0.398 0.000 0.962 747 K CB -0.453 31.433 32.500 -1.024 0.000 0.759 747 K HN 0.453 nan 8.250 nan 0.000 0.469 748 L N 0.856 122.026 121.223 -0.088 0.000 1.988 748 L HA -0.140 4.202 4.340 0.003 0.000 0.207 748 L C 2.141 179.109 176.870 0.163 0.000 1.071 748 L CA 1.944 56.861 54.840 0.129 0.000 0.744 748 L CB -0.272 41.876 42.059 0.148 0.000 0.893 748 L HN 0.088 nan 8.230 nan 0.000 0.433 749 A N -2.930 120.004 122.820 0.190 0.000 2.115 749 A HA 0.078 4.400 4.320 0.003 0.000 0.211 749 A C 0.877 178.651 177.584 0.317 0.000 1.169 749 A CA 0.246 52.475 52.037 0.319 0.000 0.787 749 A CB 0.113 19.205 19.000 0.154 0.000 0.858 749 A HN 0.551 nan 8.150 nan 0.000 0.474 750 Q N -0.867 119.029 119.800 0.160 0.000 2.457 750 Q HA -0.180 4.162 4.340 0.003 0.000 0.283 750 Q C 0.587 176.556 176.000 -0.051 0.000 1.234 750 Q CA 0.897 56.717 55.803 0.028 0.000 0.877 750 Q CB -2.547 26.165 28.738 -0.044 0.000 1.250 750 Q HN 0.779 nan 8.270 nan 0.000 0.481 751 G N 0.931 109.716 108.800 -0.026 0.000 2.653 751 G HA2 0.306 4.268 3.960 0.003 0.000 0.265 751 G HA3 0.306 4.268 3.960 0.003 0.000 0.265 751 G C 0.346 175.187 174.900 -0.099 0.000 1.237 751 G CA 0.069 45.117 45.100 -0.087 0.000 0.946 751 G HN 0.481 nan 8.290 nan 0.000 0.522 752 N N -2.877 115.746 118.700 -0.129 0.000 2.476 752 N HA 0.337 5.079 4.740 0.003 0.000 0.275 752 N C -0.459 175.046 175.510 -0.008 0.000 1.190 752 N CA -0.622 52.376 53.050 -0.087 0.000 0.977 752 N CB 1.635 40.076 38.487 -0.077 0.000 1.200 752 N HN 0.227 nan 8.380 nan 0.000 0.515 753 C N 1.442 120.737 119.300 -0.008 0.000 2.814 753 C HA 0.477 4.938 4.460 0.003 0.000 0.242 753 C C 1.734 176.742 174.990 0.030 0.000 1.704 753 C CA -0.707 58.322 59.018 0.019 0.000 1.608 753 C CB -0.809 26.912 27.740 -0.031 0.000 2.939 753 C HN 0.996 nan 8.230 nan 0.000 0.512 754 G N 0.504 109.345 108.800 0.069 0.000 2.527 754 G HA2 -0.180 3.782 3.960 0.003 0.000 0.219 754 G HA3 -0.180 3.782 3.960 0.003 0.000 0.219 754 G C 1.219 176.175 174.900 0.093 0.000 1.117 754 G CA 0.814 45.960 45.100 0.078 0.000 0.759 754 G HN 0.720 nan 8.290 nan 0.000 0.556 755 Q N -0.446 119.430 119.800 0.127 0.000 2.135 755 Q HA 0.112 4.454 4.340 0.003 0.000 0.222 755 Q C -0.276 175.833 176.000 0.182 0.000 0.808 755 Q CA -0.079 55.820 55.803 0.160 0.000 1.049 755 Q CB 1.022 29.905 28.738 0.241 0.000 1.168 755 Q HN 0.149 nan 8.270 nan 0.000 0.483 756 T N 1.505 116.128 114.554 0.116 0.000 3.316 756 T HA 0.362 4.713 4.350 0.003 0.000 0.341 756 T C -0.655 174.051 174.700 0.010 0.000 1.397 756 T CA -0.038 62.139 62.100 0.129 0.000 1.085 756 T CB 0.281 69.198 68.868 0.081 0.000 1.160 756 T HN -0.113 nan 8.240 nan 0.000 0.694 757 V N 4.535 124.386 119.914 -0.105 0.000 2.668 757 V HA 0.537 4.659 4.120 0.003 0.000 0.304 757 V C -0.605 175.346 176.094 -0.238 0.000 1.071 757 V CA -0.929 61.265 62.300 -0.177 0.000 0.894 757 V CB 2.175 33.875 31.823 -0.204 0.000 1.008 757 V HN 0.608 nan 8.190 nan 0.000 0.425 758 L N 3.518 124.672 121.223 -0.114 0.000 2.370 758 L HA 1.030 5.372 4.340 0.003 0.000 0.266 758 L C 0.018 176.801 176.870 -0.144 0.000 1.002 758 L CA -0.509 54.298 54.840 -0.055 0.000 0.818 758 L CB 2.170 44.284 42.059 0.091 0.000 1.325 758 L HN 0.873 nan 8.230 nan 0.000 0.418 759 A N 1.714 124.458 122.820 -0.127 0.000 2.557 759 A HA 0.744 5.065 4.320 0.003 0.000 0.292 759 A C -1.762 175.734 177.584 -0.147 0.000 1.139 759 A CA -0.445 51.403 52.037 -0.315 0.000 0.665 759 A CB 2.065 20.887 19.000 -0.297 0.000 1.285 759 A HN 0.571 nan 8.150 nan 0.000 0.433 760 E N -0.598 119.417 120.200 -0.309 0.000 2.221 760 E HA 0.692 5.043 4.350 0.003 0.000 0.268 760 E C -1.493 174.974 176.600 -0.221 0.000 0.933 760 E CA -0.404 55.885 56.400 -0.185 0.000 0.809 760 E CB 1.883 31.498 29.700 -0.142 0.000 1.190 760 E HN 0.632 nan 8.360 nan 0.000 0.406 761 V N 3.193 123.086 119.914 -0.036 0.000 2.735 761 V HA 0.563 4.685 4.120 0.003 0.000 0.310 761 V C -0.784 175.378 176.094 0.113 0.000 1.061 761 V CA -0.710 61.615 62.300 0.042 0.000 0.913 761 V CB 1.697 33.536 31.823 0.027 0.000 1.005 761 V HN 0.809 nan 8.190 nan 0.000 0.428 762 E N 2.219 122.509 120.200 0.151 0.000 2.366 762 E HA 0.496 4.848 4.350 0.003 0.000 0.278 762 E C -1.079 175.587 176.600 0.110 0.000 0.923 762 E CA -1.151 55.328 56.400 0.132 0.000 0.761 762 E CB 2.316 32.114 29.700 0.163 0.000 1.231 762 E HN 0.505 nan 8.360 nan 0.000 0.443 763 K N 2.211 122.660 120.400 0.082 0.000 2.447 763 K HA -0.028 4.294 4.320 0.003 0.000 0.281 763 K C -1.161 175.501 176.600 0.103 0.000 1.031 763 K CA -0.261 56.073 56.287 0.078 0.000 1.019 763 K CB 0.281 32.810 32.500 0.047 0.000 0.918 763 K HN 0.570 nan 8.250 nan 0.000 0.476 764 Y N 4.102 124.395 120.300 -0.011 0.000 2.359 764 Y HA 0.089 4.640 4.550 0.003 0.000 0.334 764 Y C 0.471 176.364 175.900 -0.012 0.000 1.058 764 Y CA 0.373 58.462 58.100 -0.019 0.000 1.244 764 Y CB 0.969 39.404 38.460 -0.042 0.000 1.187 764 Y HN 0.761 nan 8.280 nan 0.000 0.510 765 T N 1.594 115.802 114.554 -0.577 0.000 3.170 765 T HA 0.361 4.713 4.350 0.003 0.000 0.288 765 T C 0.872 175.164 174.700 -0.680 0.000 0.992 765 T CA 0.039 61.855 62.100 -0.473 0.000 0.909 765 T CB -0.292 68.451 68.868 -0.208 0.000 1.133 765 T HN 0.772 nan 8.240 nan 0.000 0.530 766 G N 3.020 111.012 108.800 -1.347 0.000 2.527 766 G HA2 0.468 4.429 3.960 0.003 0.000 0.279 766 G HA3 0.468 4.429 3.960 0.003 0.000 0.279 766 G C -2.167 172.510 174.900 -0.370 0.000 1.374 766 G CA -1.045 43.608 45.100 -0.745 0.000 1.053 766 G HN 0.326 nan 8.290 nan 0.000 0.539 767 P HA 0.350 nan 4.420 nan 0.000 0.275 767 P C -0.181 177.239 177.300 0.200 0.000 1.227 767 P CA -0.087 63.053 63.100 0.066 0.000 0.781 767 P CB 1.003 32.740 31.700 0.062 0.000 0.906 768 A N 3.348 126.259 122.820 0.151 0.000 2.540 768 A HA 0.213 4.535 4.320 0.003 0.000 0.239 768 A C 0.234 177.902 177.584 0.141 0.000 1.061 768 A CA 0.014 52.156 52.037 0.175 0.000 0.758 768 A CB -0.177 18.892 19.000 0.116 0.000 0.991 768 A HN 0.439 nan 8.150 nan 0.000 0.502 769 V N 2.333 122.332 119.914 0.142 0.000 2.630 769 V HA 0.504 4.626 4.120 0.003 0.000 0.305 769 V C 0.357 176.498 176.094 0.078 0.000 1.046 769 V CA -0.311 62.049 62.300 0.099 0.000 0.934 769 V CB 2.261 34.139 31.823 0.091 0.000 1.003 769 V HN 0.978 nan 8.190 nan 0.000 0.451 770 T N 5.869 120.453 114.554 0.050 0.000 2.771 770 T HA 0.522 4.874 4.350 0.003 0.000 0.281 770 T C -0.270 174.447 174.700 0.029 0.000 0.982 770 T CA -0.329 61.791 62.100 0.034 0.000 0.978 770 T CB 0.783 69.662 68.868 0.018 0.000 0.930 770 T HN 0.350 nan 8.240 nan 0.000 0.447 771 L N 3.719 124.963 121.223 0.035 0.000 2.360 771 L HA 0.268 4.609 4.340 0.003 0.000 0.276 771 L C 1.509 178.391 176.870 0.020 0.000 1.121 771 L CA -0.202 54.668 54.840 0.050 0.000 0.845 771 L CB 0.591 42.715 42.059 0.109 0.000 1.143 771 L HN 0.874 nan 8.230 nan 0.000 0.452 772 T N -2.719 111.817 114.554 -0.031 0.000 3.040 772 T HA 0.090 4.441 4.350 0.003 0.000 0.266 772 T C 1.365 175.989 174.700 -0.126 0.000 1.005 772 T CA 0.287 62.348 62.100 -0.065 0.000 0.906 772 T CB 0.604 69.425 68.868 -0.078 0.000 1.082 772 T HN 0.655 nan 8.240 nan 0.000 0.531 773 G N 0.503 109.159 108.800 -0.240 0.000 2.880 773 G HA2 0.201 4.162 3.960 0.003 0.000 0.209 773 G HA3 0.201 4.162 3.960 0.003 0.000 0.209 773 G C 0.472 175.133 174.900 -0.400 0.000 1.157 773 G CA -0.122 44.755 45.100 -0.372 0.000 0.779 773 G HN 0.514 nan 8.290 nan 0.000 0.539 774 F N 0.652 120.625 119.950 0.039 0.000 2.641 774 F HA 0.323 4.851 4.527 0.002 0.000 0.302 774 F C 0.699 176.516 175.800 0.028 0.000 1.098 774 F CA -1.017 56.997 58.000 0.023 0.000 1.318 774 F CB 0.362 39.299 39.000 -0.105 0.000 1.035 774 F HN 0.000 nan 8.300 nan 0.000 0.551 775 V N -2.185 117.784 119.914 0.092 0.000 2.960 775 V HA 0.927 5.049 4.120 0.003 0.000 0.315 775 V C 0.149 176.195 176.094 -0.080 0.000 1.087 775 V CA -1.711 60.605 62.300 0.027 0.000 0.982 775 V CB 1.047 32.866 31.823 -0.007 0.000 1.039 775 V HN -0.006 nan 8.190 nan 0.000 0.437 776 A N 3.034 125.767 122.820 -0.144 0.000 2.366 776 A HA 0.735 5.056 4.320 0.003 0.000 0.249 776 A C -2.272 175.019 177.584 -0.488 0.000 1.084 776 A CA -1.292 50.468 52.037 -0.462 0.000 0.794 776 A CB -0.714 18.090 19.000 -0.327 0.000 1.034 776 A HN 0.870 nan 8.150 nan 0.000 0.491 777 P HA 0.113 nan 4.420 nan 0.000 0.265 777 P C 0.103 177.233 177.300 -0.283 0.000 1.193 777 P CA -0.008 62.811 63.100 -0.469 0.000 0.765 777 P CB 0.430 31.794 31.700 -0.559 0.000 0.823 778 K N 2.838 123.142 120.400 -0.160 0.000 2.059 778 K HA -0.213 4.108 4.320 0.003 0.000 0.212 778 K C 1.960 178.521 176.600 -0.066 0.000 1.050 778 K CA 2.101 58.331 56.287 -0.095 0.000 0.927 778 K CB -0.813 31.648 32.500 -0.066 0.000 0.714 778 K HN 0.471 nan 8.250 nan 0.000 0.447 779 A N 0.766 123.555 122.820 -0.050 0.000 2.178 779 A HA -0.004 4.317 4.320 0.003 0.000 0.218 779 A C 2.042 179.631 177.584 0.009 0.000 1.157 779 A CA 1.602 53.630 52.037 -0.014 0.000 0.689 779 A CB -0.476 18.538 19.000 0.023 0.000 0.787 779 A HN 0.339 nan 8.150 nan 0.000 0.465 780 A N -0.767 122.046 122.820 -0.010 0.000 2.390 780 A HA 0.284 4.606 4.320 0.003 0.000 0.232 780 A C 0.736 178.390 177.584 0.116 0.000 1.233 780 A CA -0.308 51.791 52.037 0.105 0.000 0.907 780 A CB 0.051 19.079 19.000 0.046 0.000 0.967 780 A HN 0.451 nan 8.150 nan 0.000 0.512 781 E N 0.000 120.224 120.200 0.040 0.000 2.725 781 E HA 0.000 4.352 4.350 0.003 0.000 0.291 781 E CA 0.000 56.415 56.400 0.026 0.000 0.976 781 E CB 0.000 29.700 29.700 0.001 0.000 0.812 781 E HN 0.000 nan 8.360 nan 0.000 0.440