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 3dmr_1_A 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 LAGITDGGAA TKGPEWLAAS GASVIPVARV 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 54.841 54.840 0.001 0.000 0.813 3 L CB 0.000 42.058 42.059 -0.002 0.000 0.961 4 A N 2.011 124.835 122.820 0.007 0.000 2.488 4 A HA 0.502 4.820 4.320 -0.003 0.000 0.249 4 A C -0.571 177.018 177.584 0.008 0.000 1.083 4 A CA 0.065 52.107 52.037 0.009 0.000 0.768 4 A CB -0.168 18.842 19.000 0.016 0.000 1.017 4 A HN 0.593 nan 8.150 nan 0.000 0.496 5 N N 1.167 119.870 118.700 0.005 0.000 2.352 5 N HA 0.685 5.423 4.740 -0.003 0.000 0.291 5 N C -0.076 175.436 175.510 0.004 0.000 1.040 5 N CA 0.458 53.511 53.050 0.004 0.000 0.864 5 N CB 2.238 40.725 38.487 -0.000 0.000 1.440 5 N HN 1.112 nan 8.380 nan 0.000 0.483 6 G N -0.007 108.797 108.800 0.007 0.000 2.327 6 G HA2 0.231 4.189 3.960 -0.003 0.000 0.291 6 G HA3 0.231 4.189 3.960 -0.003 0.000 0.291 6 G C -1.427 173.477 174.900 0.007 0.000 1.290 6 G CA -0.655 44.446 45.100 0.002 0.000 0.857 6 G HN 0.480 nan 8.290 nan 0.000 0.520 7 T N -2.384 112.167 114.554 -0.006 0.000 2.885 7 T HA 0.790 5.138 4.350 -0.003 0.000 0.285 7 T C -0.790 173.887 174.700 -0.039 0.000 1.019 7 T CA -0.783 61.312 62.100 -0.008 0.000 1.010 7 T CB 1.959 70.820 68.868 -0.011 0.000 1.022 7 T HN 1.381 nan 8.240 nan 0.000 0.466 8 V N 3.152 123.034 119.914 -0.053 0.000 2.733 8 V HA 0.505 4.623 4.120 -0.003 0.000 0.306 8 V C -0.404 175.566 176.094 -0.206 0.000 1.084 8 V CA -0.963 61.268 62.300 -0.116 0.000 0.905 8 V CB 1.935 33.705 31.823 -0.088 0.000 1.010 8 V HN 1.114 nan 8.190 nan 0.000 0.424 9 M N 3.382 122.802 119.600 -0.300 0.000 2.209 9 M HA 0.718 5.196 4.480 -0.003 0.000 0.355 9 M C -0.130 175.822 176.300 -0.580 0.000 1.171 9 M CA 0.582 55.615 55.300 -0.445 0.000 1.069 9 M CB 1.428 33.787 32.600 -0.402 0.000 1.622 9 M HN 0.847 nan 8.290 nan 0.000 0.459 10 S N 2.158 117.329 115.700 -0.882 0.000 2.843 10 S HA 0.979 5.447 4.470 -0.003 0.000 0.301 10 S C -0.856 173.164 174.600 -0.966 0.000 1.206 10 S CA -0.280 57.428 58.200 -0.820 0.000 0.875 10 S CB 1.816 64.664 63.200 -0.588 0.000 1.248 10 S HN 0.956 nan 8.310 nan 0.000 0.555 11 G N 0.227 108.718 108.800 -0.515 0.000 2.727 11 G HA2 0.729 4.687 3.960 -0.003 0.000 0.289 11 G HA3 0.729 4.687 3.960 -0.003 0.000 0.289 11 G C -0.897 174.127 174.900 0.207 0.000 1.418 11 G CA 0.236 45.226 45.100 -0.183 0.000 0.818 11 G HN 1.525 nan 8.290 nan 0.000 0.486 12 S N -2.409 113.457 115.700 0.277 0.000 2.755 12 S HA 0.360 4.828 4.470 -0.003 0.000 0.286 12 S C 0.131 174.883 174.600 0.253 0.000 1.207 12 S CA -0.457 57.969 58.200 0.376 0.000 0.892 12 S CB 0.884 64.546 63.200 0.770 0.000 1.240 12 S HN 0.527 nan 8.310 nan 0.000 0.525 13 H N -0.326 118.936 119.070 0.319 0.000 2.524 13 H HA 0.154 4.708 4.556 -0.003 0.000 0.282 13 H C 0.447 175.756 175.328 -0.031 0.000 1.016 13 H CA 1.122 57.167 56.048 -0.006 0.000 1.270 13 H CB 0.063 29.622 29.762 -0.337 0.000 1.394 13 H HN 0.558 nan 8.280 nan 0.000 0.568 14 W N 0.739 122.241 121.300 0.337 0.000 3.220 14 W HA 0.355 5.013 4.660 -0.003 0.000 0.328 14 W C 0.583 177.294 176.519 0.322 0.000 1.205 14 W CA 0.717 58.249 57.345 0.313 0.000 1.773 14 W CB 1.063 30.680 29.460 0.261 0.000 1.086 14 W HN 0.193 nan 8.180 nan 0.000 0.622 15 G N 0.138 109.194 108.800 0.426 0.000 2.334 15 G HA2 -0.019 3.939 3.960 -0.003 0.000 0.315 15 G HA3 -0.019 3.939 3.960 -0.003 0.000 0.315 15 G C -1.477 173.577 174.900 0.256 0.000 1.284 15 G CA -1.158 44.113 45.100 0.285 0.000 0.985 15 G HN -0.215 nan 8.290 nan 0.000 0.504 16 V N 0.853 120.858 119.914 0.152 0.000 2.567 16 V HA 0.791 4.909 4.120 -0.003 0.000 0.289 16 V C 0.266 176.427 176.094 0.111 0.000 1.049 16 V CA 0.510 62.759 62.300 -0.086 0.000 0.969 16 V CB 0.426 31.953 31.823 -0.494 0.000 0.995 16 V HN 1.357 nan 8.190 nan 0.000 0.471 17 F N 0.897 120.766 119.950 -0.135 0.000 2.711 17 F HA 0.781 5.306 4.527 -0.003 0.000 0.313 17 F C -0.598 175.085 175.800 -0.194 0.000 1.141 17 F CA -0.872 57.056 58.000 -0.119 0.000 0.941 17 F CB 1.724 40.602 39.000 -0.204 0.000 1.349 17 F HN 0.241 nan 8.300 nan 0.000 0.464 18 T N 1.901 116.527 114.554 0.119 0.000 2.786 18 T HA 0.754 5.102 4.350 -0.003 0.000 0.283 18 T C -0.364 174.437 174.700 0.167 0.000 0.992 18 T CA -0.401 61.709 62.100 0.016 0.000 0.954 18 T CB 1.222 70.107 68.868 0.028 0.000 0.934 18 T HN 0.931 nan 8.240 nan 0.000 0.440 19 A N 2.926 125.816 122.820 0.116 0.000 2.304 19 A HA 0.689 5.007 4.320 -0.003 0.000 0.301 19 A C 0.383 178.053 177.584 0.143 0.000 1.132 19 A CA -0.553 51.617 52.037 0.221 0.000 0.819 19 A CB 0.435 19.574 19.000 0.232 0.000 1.094 19 A HN 0.681 nan 8.150 nan 0.000 0.492 20 T N 1.840 116.489 114.554 0.158 0.000 2.749 20 T HA 0.488 4.836 4.350 -0.003 0.000 0.287 20 T C -0.425 174.324 174.700 0.083 0.000 0.970 20 T CA -0.147 62.006 62.100 0.088 0.000 0.980 20 T CB 0.786 69.692 68.868 0.063 0.000 0.924 20 T HN 0.404 nan 8.240 nan 0.000 0.456 21 V N 4.373 124.322 119.914 0.058 0.000 2.459 21 V HA 0.460 4.578 4.120 -0.003 0.000 0.295 21 V C -0.129 175.979 176.094 0.023 0.000 1.029 21 V CA -0.733 61.597 62.300 0.051 0.000 0.874 21 V CB 1.744 33.600 31.823 0.054 0.000 0.985 21 V HN 0.860 nan 8.190 nan 0.000 0.438 22 E N 4.256 124.462 120.200 0.010 0.000 2.255 22 E HA 0.386 4.734 4.350 -0.003 0.000 0.256 22 E C -0.617 175.975 176.600 -0.014 0.000 0.887 22 E CA -0.651 55.745 56.400 -0.007 0.000 0.782 22 E CB 1.074 30.762 29.700 -0.019 0.000 1.214 22 E HN 0.689 nan 8.360 nan 0.000 0.417 23 N N 2.234 120.928 118.700 -0.009 0.000 2.725 23 N HA -0.219 4.519 4.740 -0.003 0.000 0.251 23 N C 0.595 176.100 175.510 -0.008 0.000 1.031 23 N CA 1.277 54.321 53.050 -0.011 0.000 0.720 23 N CB -1.029 37.445 38.487 -0.020 0.000 0.930 23 N HN 1.066 nan 8.380 nan 0.000 0.543 24 G N -0.371 108.433 108.800 0.006 0.000 2.153 24 G HA2 -0.363 3.595 3.960 -0.003 0.000 0.252 24 G HA3 -0.363 3.595 3.960 -0.003 0.000 0.252 24 G C 0.011 174.934 174.900 0.037 0.000 0.994 24 G CA 0.872 45.984 45.100 0.021 0.000 0.698 24 G HN 0.828 nan 8.290 nan 0.000 0.521 25 R N -0.227 120.287 120.500 0.023 0.000 2.575 25 R HA 0.708 5.046 4.340 -0.003 0.000 0.293 25 R C 0.306 176.639 176.300 0.055 0.000 0.983 25 R CA -0.100 56.016 56.100 0.026 0.000 0.887 25 R CB 1.160 31.388 30.300 -0.120 0.000 1.184 25 R HN 0.814 nan 8.270 nan 0.000 0.445 26 A N 2.534 125.459 122.820 0.176 0.000 2.454 26 A HA 0.210 4.528 4.320 -0.003 0.000 0.260 26 A C 0.827 178.440 177.584 0.047 0.000 1.106 26 A CA 0.245 52.382 52.037 0.166 0.000 0.780 26 A CB 0.335 19.498 19.000 0.273 0.000 1.044 26 A HN 0.942 nan 8.150 nan 0.000 0.498 27 T N -1.053 113.509 114.554 0.014 0.000 2.975 27 T HA 0.591 4.938 4.350 -0.003 0.000 0.257 27 T C 0.297 174.962 174.700 -0.058 0.000 1.003 27 T CA 0.606 62.674 62.100 -0.052 0.000 0.932 27 T CB 0.074 68.913 68.868 -0.048 0.000 1.087 27 T HN 1.891 nan 8.240 nan 0.000 0.512 28 A N 0.771 123.588 122.820 -0.004 0.000 2.594 28 A HA 0.633 4.951 4.320 -0.003 0.000 0.296 28 A C -2.103 175.605 177.584 0.207 0.000 1.056 28 A CA -0.770 51.270 52.037 0.004 0.000 0.693 28 A CB 0.867 19.877 19.000 0.016 0.000 1.278 28 A HN 0.145 nan 8.150 nan 0.000 0.408 29 F N 1.452 121.330 119.950 -0.119 0.000 2.427 29 F HA 0.617 5.142 4.527 -0.003 0.000 0.348 29 F C 0.348 176.121 175.800 -0.046 0.000 1.125 29 F CA -0.743 57.169 58.000 -0.145 0.000 0.989 29 F CB 2.091 40.792 39.000 -0.499 0.000 1.165 29 F HN 0.464 nan 8.300 nan 0.000 0.442 30 T N 5.571 120.255 114.554 0.218 0.000 2.823 30 T HA 0.444 4.791 4.350 -0.003 0.000 0.279 30 T C -2.584 172.234 174.700 0.195 0.000 0.998 30 T CA -1.631 60.560 62.100 0.152 0.000 0.994 30 T CB 1.916 70.851 68.868 0.111 0.000 0.960 30 T HN 0.149 nan 8.240 nan 0.000 0.448 31 P HA 0.030 nan 4.420 nan 0.000 0.269 31 P C -0.432 177.024 177.300 0.260 0.000 1.215 31 P CA -0.642 62.594 63.100 0.227 0.000 0.780 31 P CB 0.577 32.375 31.700 0.163 0.000 0.898 32 W N 3.432 124.776 121.300 0.074 0.000 2.223 32 W HA 0.011 4.669 4.660 -0.003 0.000 0.334 32 W C 1.632 178.166 176.519 0.024 0.000 1.334 32 W CA -0.308 57.052 57.345 0.026 0.000 1.246 32 W CB -0.049 29.421 29.460 0.016 0.000 1.184 32 W HN 0.639 nan 8.180 nan 0.000 0.563 33 E N 2.883 123.052 120.200 -0.051 0.000 2.153 33 E HA -0.243 4.105 4.350 -0.003 0.000 0.194 33 E C 1.053 177.405 176.600 -0.413 0.000 0.988 33 E CA 1.609 57.895 56.400 -0.188 0.000 0.811 33 E CB -0.122 29.508 29.700 -0.117 0.000 0.746 33 E HN 0.569 nan 8.360 nan 0.000 0.466 34 K N 0.794 120.633 120.400 -0.934 0.000 2.444 34 K HA 0.034 4.352 4.320 -0.003 0.000 0.193 34 K C 0.187 176.386 176.600 -0.668 0.000 1.024 34 K CA 0.111 55.848 56.287 -0.917 0.000 1.077 34 K CB 0.189 31.907 32.500 -1.304 0.000 0.833 34 K HN 0.080 nan 8.250 nan 0.000 0.517 35 D N 2.168 122.334 120.400 -0.390 0.000 2.346 35 D HA 0.005 4.643 4.640 -0.003 0.000 0.260 35 D C -1.423 174.885 176.300 0.013 0.000 1.252 35 D CA -1.835 52.175 54.000 0.016 0.000 0.895 35 D CB 1.312 42.271 40.800 0.266 0.000 1.097 35 D HN -0.004 nan 8.370 nan 0.000 0.489 36 P HA -0.083 nan 4.420 nan 0.000 0.223 36 P C -0.084 177.242 177.300 0.043 0.000 1.151 36 P CA 0.835 63.962 63.100 0.046 0.000 0.787 36 P CB 0.290 32.046 31.700 0.093 0.000 0.788 37 H N -0.630 118.390 119.070 -0.084 0.000 2.750 37 H HA 0.276 4.830 4.556 -0.003 0.000 0.261 37 H C -2.650 172.415 175.328 -0.439 0.000 1.387 37 H CA -1.815 54.013 56.048 -0.367 0.000 1.557 37 H CB 0.857 30.133 29.762 -0.810 0.000 1.756 37 H HN -0.089 nan 8.280 nan 0.000 0.580 38 P HA -0.011 nan 4.420 nan 0.000 0.268 38 P C -0.080 177.144 177.300 -0.127 0.000 1.208 38 P CA -0.024 63.045 63.100 -0.051 0.000 0.777 38 P CB 1.436 33.142 31.700 0.011 0.000 0.875 39 S N 1.600 117.309 115.700 0.015 0.000 2.508 39 S HA 0.395 4.863 4.470 -0.003 0.000 0.284 39 S C -1.584 173.060 174.600 0.073 0.000 1.192 39 S CA -1.779 56.458 58.200 0.063 0.000 1.070 39 S CB 0.263 63.604 63.200 0.235 0.000 1.004 39 S HN 0.205 nan 8.310 nan 0.000 0.493 40 P HA 0.018 nan 4.420 nan 0.000 0.226 40 P C 0.979 178.294 177.300 0.025 0.000 1.153 40 P CA 1.021 64.148 63.100 0.046 0.000 0.777 40 P CB 0.018 31.767 31.700 0.083 0.000 0.794 41 M N -1.670 117.955 119.600 0.041 0.000 2.630 41 M HA -0.021 4.456 4.480 -0.003 0.000 0.254 41 M C 1.814 177.931 176.300 -0.305 0.000 1.092 41 M CA 0.804 56.053 55.300 -0.086 0.000 1.087 41 M CB -0.586 32.010 32.600 -0.007 0.000 1.453 41 M HN -0.031 nan 8.290 nan 0.000 0.509 42 L N 0.243 121.347 121.223 -0.197 0.000 2.043 42 L HA -0.243 4.095 4.340 -0.003 0.000 0.212 42 L C 2.782 179.480 176.870 -0.288 0.000 1.075 42 L CA 1.498 56.209 54.840 -0.216 0.000 0.752 42 L CB -0.678 41.354 42.059 -0.045 0.000 0.891 42 L HN 0.355 nan 8.230 nan 0.000 0.432 43 A N -0.133 122.549 122.820 -0.230 0.000 1.933 43 A HA -0.150 4.168 4.320 -0.003 0.000 0.218 43 A C 2.323 179.720 177.584 -0.312 0.000 1.175 43 A CA 1.711 53.590 52.037 -0.264 0.000 0.628 43 A CB -1.038 17.861 19.000 -0.167 0.000 0.814 43 A HN 0.486 nan 8.150 nan 0.000 0.444 44 G N -0.665 107.965 108.800 -0.283 0.000 2.422 44 G HA2 -0.035 3.923 3.960 -0.003 0.000 0.218 44 G HA3 -0.035 3.923 3.960 -0.003 0.000 0.218 44 G C 1.457 176.158 174.900 -0.332 0.000 1.140 44 G CA 1.094 46.036 45.100 -0.262 0.000 0.775 44 G HN 0.316 nan 8.290 nan 0.000 0.545 45 V N 1.059 120.681 119.914 -0.486 0.000 2.287 45 V HA -0.172 3.946 4.120 -0.003 0.000 0.248 45 V C 2.671 178.483 176.094 -0.470 0.000 1.053 45 V CA 1.720 63.742 62.300 -0.464 0.000 1.027 45 V CB -0.600 30.922 31.823 -0.502 0.000 0.646 45 V HN 0.395 nan 8.190 nan 0.000 0.447 46 L N 0.934 121.650 121.223 -0.846 0.000 2.017 46 L HA -0.188 4.150 4.340 -0.003 0.000 0.208 46 L C 2.060 178.655 176.870 -0.458 0.000 1.073 46 L CA 2.582 56.763 54.840 -1.099 0.000 0.745 46 L CB -1.025 40.171 42.059 -1.438 0.000 0.894 46 L HN 0.379 nan 8.230 nan 0.000 0.432 47 D N -0.977 119.232 120.400 -0.319 0.000 2.218 47 D HA -0.204 4.434 4.640 -0.003 0.000 0.204 47 D C 2.345 178.610 176.300 -0.059 0.000 0.976 47 D CA 1.206 55.130 54.000 -0.127 0.000 0.853 47 D CB -0.067 40.655 40.800 -0.131 0.000 0.939 47 D HN 0.607 nan 8.370 nan 0.000 0.481 48 S N -0.664 114.989 115.700 -0.078 0.000 2.442 48 S HA -0.145 4.323 4.470 -0.003 0.000 0.236 48 S C 2.044 176.659 174.600 0.025 0.000 1.007 48 S CA 0.640 58.874 58.200 0.056 0.000 0.965 48 S CB -0.623 62.672 63.200 0.157 0.000 0.773 48 S HN 0.393 nan 8.310 nan 0.000 0.504 49 I N -0.809 119.660 120.570 -0.168 0.000 2.353 49 I HA -0.044 4.124 4.170 -0.003 0.000 0.248 49 I C 1.455 177.316 176.117 -0.426 0.000 1.119 49 I CA 1.139 62.198 61.300 -0.402 0.000 1.417 49 I CB -0.182 37.382 38.000 -0.728 0.000 1.078 49 I HN 0.300 nan 8.210 nan 0.000 0.421 50 Y N 0.105 120.416 120.300 0.019 0.000 2.481 50 Y HA 0.217 4.765 4.550 -0.003 0.000 0.247 50 Y C 1.646 177.593 175.900 0.078 0.000 1.151 50 Y CA -0.684 57.446 58.100 0.050 0.000 1.238 50 Y CB -0.286 38.168 38.460 -0.010 0.000 1.179 50 Y HN -0.012 nan 8.280 nan 0.000 0.524 51 S N 1.390 117.202 115.700 0.186 0.000 2.572 51 S HA 0.023 4.491 4.470 -0.003 0.000 0.267 51 S C -1.555 173.150 174.600 0.176 0.000 1.361 51 S CA -0.855 57.435 58.200 0.151 0.000 1.009 51 S CB 0.826 64.098 63.200 0.120 0.000 0.888 51 S HN 0.018 nan 8.310 nan 0.000 0.553 52 P HA 0.039 nan 4.420 nan 0.000 0.226 52 P C 0.974 178.389 177.300 0.192 0.000 1.153 52 P CA 0.987 64.172 63.100 0.142 0.000 0.777 52 P CB -0.518 31.245 31.700 0.104 0.000 0.794 53 T N -3.884 110.828 114.554 0.264 0.000 3.188 53 T HA 0.170 4.518 4.350 -0.003 0.000 0.250 53 T C 0.748 175.669 174.700 0.368 0.000 1.077 53 T CA -0.430 61.905 62.100 0.391 0.000 0.967 53 T CB -0.362 68.818 68.868 0.520 0.000 1.006 53 T HN -0.111 nan 8.240 nan 0.000 0.552 54 R N 1.802 122.454 120.500 0.253 0.000 2.537 54 R HA 0.342 4.680 4.340 -0.003 0.000 0.280 54 R C -0.413 175.903 176.300 0.025 0.000 1.058 54 R CA -0.511 55.693 56.100 0.173 0.000 1.057 54 R CB -0.277 30.148 30.300 0.208 0.000 0.973 54 R HN 0.378 nan 8.270 nan 0.000 0.438 55 I N 6.270 126.746 120.570 -0.157 0.000 2.337 55 I HA 0.052 4.220 4.170 -0.003 0.000 0.291 55 I C 1.041 176.983 176.117 -0.291 0.000 1.046 55 I CA -0.098 60.963 61.300 -0.399 0.000 1.324 55 I CB 1.317 38.871 38.000 -0.744 0.000 1.409 55 I HN 0.706 nan 8.210 nan 0.000 0.494 56 K N 5.283 125.407 120.400 -0.460 0.000 2.044 56 K HA 0.044 4.362 4.320 -0.003 0.000 0.204 56 K C -0.436 175.780 176.600 -0.640 0.000 1.045 56 K CA 1.143 56.944 56.287 -0.811 0.000 0.951 56 K CB 0.105 31.625 32.500 -1.633 0.000 0.738 56 K HN 0.371 nan 8.250 nan 0.000 0.443 57 Y N 0.091 120.317 120.300 -0.124 0.000 2.602 57 Y HA 0.319 4.867 4.550 -0.004 0.000 0.342 57 Y C -2.524 173.175 175.900 -0.335 0.000 1.029 57 Y CA -3.760 54.228 58.100 -0.187 0.000 1.080 57 Y CB 0.385 38.763 38.460 -0.137 0.000 1.284 57 Y HN -0.062 nan 8.280 nan 0.000 0.485 58 P HA 0.164 nan 4.420 nan 0.000 0.271 58 P C -0.775 176.366 177.300 -0.264 0.000 1.220 58 P CA 0.297 63.073 63.100 -0.541 0.000 0.768 58 P CB 0.597 31.705 31.700 -0.987 0.000 0.848 59 M N 2.537 122.008 119.600 -0.215 0.000 2.530 59 M HA 0.460 4.938 4.480 -0.003 0.000 0.307 59 M C -0.670 175.642 176.300 0.019 0.000 1.161 59 M CA -1.097 54.159 55.300 -0.073 0.000 0.903 59 M CB 2.224 34.743 32.600 -0.135 0.000 1.711 59 M HN 0.001 nan 8.290 nan 0.000 0.451 60 V N 1.460 121.474 119.914 0.168 0.000 2.656 60 V HA 0.475 4.593 4.120 -0.003 0.000 0.307 60 V C 0.087 176.382 176.094 0.336 0.000 1.051 60 V CA -0.958 61.472 62.300 0.217 0.000 0.893 60 V CB 2.225 34.146 31.823 0.163 0.000 0.999 60 V HN 0.838 nan 8.190 nan 0.000 0.426 61 R N 2.591 123.266 120.500 0.290 0.000 2.458 61 R HA 0.086 4.424 4.340 -0.003 0.000 0.303 61 R C 1.633 177.984 176.300 0.085 0.000 1.013 61 R CA 0.151 56.284 56.100 0.055 0.000 1.026 61 R CB 0.252 30.549 30.300 -0.004 0.000 0.948 61 R HN 0.735 nan 8.270 nan 0.000 0.417 62 R N 3.245 123.736 120.500 -0.016 0.000 2.112 62 R HA -0.265 4.073 4.340 -0.003 0.000 0.242 62 R C 1.046 177.361 176.300 0.025 0.000 1.137 62 R CA 2.455 58.559 56.100 0.007 0.000 0.944 62 R CB 0.001 30.278 30.300 -0.039 0.000 0.857 62 R HN 0.707 nan 8.270 nan 0.000 0.435 63 E N -0.478 119.729 120.200 0.012 0.000 2.077 63 E HA -0.189 4.159 4.350 -0.003 0.000 0.193 63 E C 1.559 178.206 176.600 0.079 0.000 0.989 63 E CA 1.565 57.983 56.400 0.031 0.000 0.800 63 E CB -0.268 29.446 29.700 0.024 0.000 0.746 63 E HN 0.379 nan 8.360 nan 0.000 0.452 64 F N 0.371 120.320 119.950 -0.003 0.000 2.186 64 F HA -0.102 4.423 4.527 -0.004 0.000 0.299 64 F C 1.863 177.678 175.800 0.025 0.000 1.090 64 F CA 0.972 58.987 58.000 0.025 0.000 1.307 64 F CB -0.035 38.994 39.000 0.047 0.000 1.019 64 F HN -0.004 nan 8.300 nan 0.000 0.489 65 L N 0.105 121.424 121.223 0.160 0.000 2.012 65 L HA -0.261 4.077 4.340 -0.003 0.000 0.210 65 L C 2.241 179.087 176.870 -0.039 0.000 1.073 65 L CA 2.111 56.992 54.840 0.067 0.000 0.748 65 L CB -0.455 41.655 42.059 0.084 0.000 0.891 65 L HN 0.231 nan 8.230 nan 0.000 0.431 66 E N -0.860 119.321 120.200 -0.031 0.000 2.158 66 E HA -0.178 4.170 4.350 -0.003 0.000 0.191 66 E C 1.632 178.187 176.600 -0.076 0.000 0.982 66 E CA 0.818 57.192 56.400 -0.044 0.000 0.823 66 E CB 0.220 29.905 29.700 -0.024 0.000 0.766 66 E HN 0.319 nan 8.360 nan 0.000 0.468 67 K N -0.703 119.632 120.400 -0.108 0.000 2.402 67 K HA 0.156 4.474 4.320 -0.003 0.000 0.203 67 K C 0.684 177.164 176.600 -0.200 0.000 1.077 67 K CA 0.375 56.593 56.287 -0.116 0.000 1.051 67 K CB 1.473 33.935 32.500 -0.062 0.000 0.907 67 K HN 0.200 nan 8.250 nan 0.000 0.554 68 G N 0.903 109.453 108.800 -0.416 0.000 2.622 68 G HA2 -0.413 3.545 3.960 -0.003 0.000 0.307 68 G HA3 -0.413 3.545 3.960 -0.003 0.000 0.307 68 G C 0.965 175.652 174.900 -0.355 0.000 1.226 68 G CA 0.828 45.536 45.100 -0.653 0.000 0.997 68 G HN 0.417 nan 8.290 nan 0.000 0.551 69 V N -0.749 119.075 119.914 -0.150 0.000 3.141 69 V HA 0.107 4.225 4.120 -0.003 0.000 0.265 69 V C 1.780 177.885 176.094 0.018 0.000 1.126 69 V CA 2.531 64.837 62.300 0.010 0.000 1.141 69 V CB -0.315 31.544 31.823 0.059 0.000 0.743 69 V HN 0.574 nan 8.190 nan 0.000 0.492 70 N N 1.396 120.084 118.700 -0.020 0.000 2.322 70 N HA 0.339 5.077 4.740 -0.003 0.000 0.194 70 N C 0.815 176.328 175.510 0.004 0.000 1.126 70 N CA 0.753 53.801 53.050 -0.003 0.000 0.845 70 N CB 0.549 39.026 38.487 -0.016 0.000 0.976 70 N HN 0.692 nan 8.380 nan 0.000 0.475 71 A N 0.872 123.698 122.820 0.011 0.000 2.406 71 A HA 0.042 4.360 4.320 -0.003 0.000 0.243 71 A C 0.228 177.844 177.584 0.054 0.000 1.082 71 A CA -0.190 51.868 52.037 0.035 0.000 0.786 71 A CB 0.230 19.279 19.000 0.081 0.000 1.029 71 A HN 0.118 nan 8.150 nan 0.000 0.495 72 D N 0.061 120.487 120.400 0.043 0.000 2.325 72 D HA 0.186 4.824 4.640 -0.003 0.000 0.251 72 D C 0.896 177.233 176.300 0.062 0.000 1.196 72 D CA 0.050 54.075 54.000 0.042 0.000 0.866 72 D CB 0.488 41.302 40.800 0.022 0.000 1.101 72 D HN 0.452 nan 8.370 nan 0.000 0.476 73 R N 1.848 122.395 120.500 0.077 0.000 2.317 73 R HA 0.010 4.348 4.340 -0.003 0.000 0.208 73 R C 1.852 178.212 176.300 0.100 0.000 0.914 73 R CA 0.458 56.621 56.100 0.106 0.000 1.060 73 R CB 0.150 30.523 30.300 0.121 0.000 1.015 73 R HN 0.485 nan 8.270 nan 0.000 0.498 74 S N 0.144 115.886 115.700 0.070 0.000 2.461 74 S HA -0.101 4.367 4.470 -0.003 0.000 0.228 74 S C 1.895 176.519 174.600 0.040 0.000 1.005 74 S CA 1.217 59.455 58.200 0.065 0.000 0.942 74 S CB -0.168 63.060 63.200 0.046 0.000 0.776 74 S HN 0.320 nan 8.310 nan 0.000 0.514 75 T N -0.824 113.737 114.554 0.011 0.000 3.129 75 T HA 0.255 4.603 4.350 -0.003 0.000 0.251 75 T C 0.664 175.308 174.700 -0.092 0.000 1.117 75 T CA -0.490 61.584 62.100 -0.043 0.000 1.034 75 T CB -0.512 68.319 68.868 -0.062 0.000 0.968 75 T HN 0.269 nan 8.240 nan 0.000 0.526 76 R N 1.010 121.489 120.500 -0.035 0.000 2.504 76 R HA 0.345 4.683 4.340 -0.003 0.000 0.291 76 R C 1.467 177.566 176.300 -0.334 0.000 0.974 76 R CA 1.262 57.313 56.100 -0.082 0.000 1.077 76 R CB -0.131 30.241 30.300 0.121 0.000 0.926 76 R HN 0.586 nan 8.270 nan 0.000 0.407 77 G N 2.521 110.998 108.800 -0.539 0.000 2.195 77 G HA2 -0.289 3.669 3.960 -0.003 0.000 0.224 77 G HA3 -0.289 3.669 3.960 -0.003 0.000 0.224 77 G C 0.592 175.219 174.900 -0.455 0.000 0.990 77 G CA 0.204 44.797 45.100 -0.844 0.000 0.639 77 G HN 0.719 nan 8.290 nan 0.000 0.514 78 N N 1.156 119.650 118.700 -0.342 0.000 2.494 78 N HA 0.332 5.070 4.740 -0.003 0.000 0.182 78 N C 1.788 177.144 175.510 -0.257 0.000 1.076 78 N CA 1.547 54.444 53.050 -0.255 0.000 0.908 78 N CB -0.420 37.947 38.487 -0.200 0.000 0.967 78 N HN 1.767 nan 8.380 nan 0.000 0.449 79 G N -0.207 108.398 108.800 -0.326 0.000 2.157 79 G HA2 -0.267 3.691 3.960 -0.003 0.000 0.248 79 G HA3 -0.267 3.691 3.960 -0.003 0.000 0.248 79 G C -0.495 174.240 174.900 -0.275 0.000 0.979 79 G CA 0.162 45.117 45.100 -0.242 0.000 0.650 79 G HN 0.571 nan 8.290 nan 0.000 0.529 80 D N 0.614 120.762 120.400 -0.419 0.000 2.508 80 D HA 0.501 5.139 4.640 -0.003 0.000 0.224 80 D C -0.067 176.007 176.300 -0.376 0.000 1.171 80 D CA -0.230 53.592 54.000 -0.297 0.000 1.006 80 D CB -0.553 40.114 40.800 -0.222 0.000 1.073 80 D HN 0.105 nan 8.370 nan 0.000 0.513 81 F N 1.365 121.277 119.950 -0.063 0.000 2.470 81 F HA 0.452 4.977 4.527 -0.003 0.000 0.329 81 F C 0.352 176.144 175.800 -0.012 0.000 1.072 81 F CA -1.011 56.975 58.000 -0.023 0.000 0.989 81 F CB 1.737 40.731 39.000 -0.010 0.000 1.193 81 F HN -0.134 nan 8.300 nan 0.000 0.481 82 V N 3.093 123.149 119.914 0.237 0.000 2.417 82 V HA 0.418 4.536 4.120 -0.003 0.000 0.291 82 V C -0.116 176.035 176.094 0.095 0.000 1.024 82 V CA -1.045 61.326 62.300 0.119 0.000 0.861 82 V CB 1.642 33.511 31.823 0.077 0.000 0.985 82 V HN 0.643 nan 8.190 nan 0.000 0.436 83 R N 3.969 124.491 120.500 0.037 0.000 2.389 83 R HA 0.599 4.937 4.340 -0.003 0.000 0.295 83 R C -0.639 175.631 176.300 -0.051 0.000 1.075 83 R CA -0.145 55.943 56.100 -0.021 0.000 1.005 83 R CB 1.120 31.369 30.300 -0.084 0.000 0.987 83 R HN 0.672 nan 8.270 nan 0.000 0.452 84 V N 0.650 120.517 119.914 -0.078 0.000 3.126 84 V HA 0.610 4.728 4.120 -0.003 0.000 0.314 84 V C -0.155 175.870 176.094 -0.114 0.000 1.138 84 V CA -0.952 61.304 62.300 -0.074 0.000 1.034 84 V CB 1.680 33.475 31.823 -0.046 0.000 1.075 84 V HN 0.897 nan 8.190 nan 0.000 0.442 85 S N -0.172 115.492 115.700 -0.060 0.000 2.617 85 S HA 0.282 4.750 4.470 -0.003 0.000 0.269 85 S C 0.381 174.979 174.600 -0.002 0.000 1.292 85 S CA -0.098 58.090 58.200 -0.019 0.000 1.010 85 S CB 0.610 63.833 63.200 0.038 0.000 0.944 85 S HN 0.883 nan 8.310 nan 0.000 0.536 86 W N 0.659 121.967 121.300 0.013 0.000 2.358 86 W HA -0.074 4.584 4.660 -0.003 0.000 0.303 86 W C 1.889 178.409 176.519 0.002 0.000 1.208 86 W CA 1.161 58.507 57.345 0.002 0.000 1.274 86 W CB -0.202 29.257 29.460 -0.001 0.000 1.138 86 W HN 0.729 nan 8.180 nan 0.000 0.515 87 D N -0.404 120.146 120.400 0.250 0.000 2.117 87 D HA -0.198 4.440 4.640 -0.003 0.000 0.197 87 D C 1.931 178.301 176.300 0.117 0.000 0.987 87 D CA 1.455 55.548 54.000 0.155 0.000 0.829 87 D CB -0.557 40.307 40.800 0.108 0.000 0.961 87 D HN 0.336 nan 8.370 nan 0.000 0.460 88 Q N 0.462 120.315 119.800 0.089 0.000 2.002 88 Q HA -0.112 4.226 4.340 -0.003 0.000 0.204 88 Q C 2.287 178.329 176.000 0.070 0.000 0.988 88 Q CA 1.707 57.548 55.803 0.064 0.000 0.843 88 Q CB -0.193 28.567 28.738 0.037 0.000 0.908 88 Q HN 0.222 nan 8.270 nan 0.000 0.420 89 A N 0.635 123.485 122.820 0.051 0.000 1.908 89 A HA -0.186 4.132 4.320 -0.003 0.000 0.218 89 A C 2.079 179.725 177.584 0.103 0.000 1.181 89 A CA 1.317 53.376 52.037 0.036 0.000 0.627 89 A CB -0.747 18.197 19.000 -0.093 0.000 0.818 89 A HN 0.306 nan 8.150 nan 0.000 0.445 90 L N -0.677 120.644 121.223 0.164 0.000 2.056 90 L HA -0.174 4.164 4.340 -0.003 0.000 0.207 90 L C 2.154 179.098 176.870 0.122 0.000 1.078 90 L CA 1.366 56.304 54.840 0.163 0.000 0.749 90 L CB -0.665 41.498 42.059 0.173 0.000 0.901 90 L HN 0.269 nan 8.230 nan 0.000 0.433 91 D N 0.044 120.508 120.400 0.105 0.000 2.104 91 D HA -0.199 4.439 4.640 -0.003 0.000 0.194 91 D C 2.040 178.400 176.300 0.100 0.000 0.994 91 D CA 1.142 55.196 54.000 0.090 0.000 0.830 91 D CB -0.203 40.642 40.800 0.076 0.000 0.959 91 D HN 0.096 nan 8.370 nan 0.000 0.452 92 L N 0.568 121.856 121.223 0.108 0.000 1.994 92 L HA -0.137 4.201 4.340 -0.003 0.000 0.208 92 L C 2.285 179.243 176.870 0.147 0.000 1.071 92 L CA 1.349 56.268 54.840 0.132 0.000 0.745 92 L CB -0.629 41.520 42.059 0.150 0.000 0.892 92 L HN -0.104 nan 8.230 nan 0.000 0.431 93 V N 0.161 120.156 119.914 0.136 0.000 2.287 93 V HA -0.331 3.787 4.120 -0.003 0.000 0.248 93 V C 2.801 179.002 176.094 0.180 0.000 1.053 93 V CA 1.796 64.188 62.300 0.153 0.000 1.027 93 V CB -1.443 30.485 31.823 0.176 0.000 0.646 93 V HN 0.622 nan 8.190 nan 0.000 0.447 94 A N -0.128 122.785 122.820 0.155 0.000 1.902 94 A HA -0.119 4.199 4.320 -0.003 0.000 0.217 94 A C 2.444 180.102 177.584 0.124 0.000 1.181 94 A CA 2.149 54.267 52.037 0.135 0.000 0.623 94 A CB -0.861 18.200 19.000 0.102 0.000 0.818 94 A HN 0.587 nan 8.150 nan 0.000 0.443 95 A N -0.460 122.429 122.820 0.115 0.000 1.883 95 A HA -0.187 4.131 4.320 -0.003 0.000 0.217 95 A C 1.981 179.640 177.584 0.125 0.000 1.186 95 A CA 1.830 53.930 52.037 0.105 0.000 0.624 95 A CB -0.461 18.596 19.000 0.095 0.000 0.822 95 A HN 0.462 nan 8.150 nan 0.000 0.444 96 E N -0.224 120.070 120.200 0.158 0.000 2.072 96 E HA -0.100 4.248 4.350 -0.003 0.000 0.191 96 E C 2.256 178.966 176.600 0.184 0.000 0.985 96 E CA 1.256 57.768 56.400 0.187 0.000 0.801 96 E CB -0.592 29.245 29.700 0.229 0.000 0.750 96 E HN 0.390 nan 8.360 nan 0.000 0.452 97 V N 1.444 121.472 119.914 0.189 0.000 2.295 97 V HA -0.249 3.869 4.120 -0.003 0.000 0.246 97 V C 2.435 178.621 176.094 0.154 0.000 1.049 97 V CA 1.832 64.249 62.300 0.195 0.000 1.024 97 V CB -0.406 31.544 31.823 0.212 0.000 0.648 97 V HN 0.124 nan 8.190 nan 0.000 0.447 98 K N 0.491 120.967 120.400 0.126 0.000 2.097 98 K HA -0.164 4.154 4.320 -0.003 0.000 0.206 98 K C 2.292 178.942 176.600 0.083 0.000 1.049 98 K CA 1.527 57.871 56.287 0.095 0.000 0.933 98 K CB -0.403 32.143 32.500 0.077 0.000 0.717 98 K HN 0.364 nan 8.250 nan 0.000 0.442 99 R N -0.273 120.282 120.500 0.092 0.000 2.073 99 R HA -0.082 4.256 4.340 -0.003 0.000 0.234 99 R C 1.868 178.219 176.300 0.083 0.000 1.134 99 R CA 1.589 57.732 56.100 0.072 0.000 0.952 99 R CB -0.282 30.067 30.300 0.083 0.000 0.850 99 R HN 0.065 nan 8.270 nan 0.000 0.433 100 V N 1.682 121.692 119.914 0.161 0.000 2.358 100 V HA -0.183 3.935 4.120 -0.003 0.000 0.246 100 V C 2.280 178.495 176.094 0.202 0.000 1.047 100 V CA 1.800 64.254 62.300 0.256 0.000 1.035 100 V CB -0.383 31.612 31.823 0.287 0.000 0.658 100 V HN 0.381 nan 8.190 nan 0.000 0.452 101 E N -0.189 120.097 120.200 0.144 0.000 2.077 101 E HA -0.199 4.149 4.350 -0.003 0.000 0.193 101 E C 2.265 178.895 176.600 0.050 0.000 0.989 101 E CA 1.106 57.570 56.400 0.106 0.000 0.800 101 E CB -0.149 29.610 29.700 0.098 0.000 0.746 101 E HN 0.614 nan 8.360 nan 0.000 0.452 102 E N 0.170 120.383 120.200 0.022 0.000 2.072 102 E HA -0.071 4.277 4.350 -0.003 0.000 0.190 102 E C 2.187 178.738 176.600 -0.082 0.000 0.982 102 E CA 1.044 57.432 56.400 -0.020 0.000 0.803 102 E CB -0.322 29.368 29.700 -0.018 0.000 0.755 102 E HN 0.218 nan 8.360 nan 0.000 0.453 103 T N 0.370 114.830 114.554 -0.157 0.000 2.770 103 T HA -0.108 4.240 4.350 -0.003 0.000 0.263 103 T C 1.470 175.895 174.700 -0.458 0.000 1.039 103 T CA 1.245 63.115 62.100 -0.383 0.000 1.142 103 T CB -0.260 68.207 68.868 -0.669 0.000 0.868 103 T HN 0.173 nan 8.240 nan 0.000 0.435 104 Y N 0.755 121.059 120.300 0.007 0.000 2.442 104 Y HA 0.469 5.017 4.550 -0.003 0.000 0.250 104 Y C 1.609 177.486 175.900 -0.039 0.000 1.113 104 Y CA -0.157 57.939 58.100 -0.008 0.000 1.273 104 Y CB 0.012 38.480 38.460 0.013 0.000 1.138 104 Y HN 0.420 nan 8.280 nan 0.000 0.522 105 G N 1.055 109.902 108.800 0.078 0.000 2.728 105 G HA2 -0.207 3.751 3.960 -0.003 0.000 0.294 105 G HA3 -0.207 3.751 3.960 -0.003 0.000 0.294 105 G C -1.993 172.917 174.900 0.017 0.000 1.342 105 G CA -0.442 44.654 45.100 -0.008 0.000 0.866 105 G HN 0.008 nan 8.290 nan 0.000 0.534 106 P HA -0.016 nan 4.420 nan 0.000 0.220 106 P C 1.176 178.542 177.300 0.109 0.000 1.148 106 P CA 1.765 64.888 63.100 0.039 0.000 0.803 106 P CB -0.028 31.700 31.700 0.047 0.000 0.782 107 E N -0.149 119.995 120.200 -0.092 0.000 2.338 107 E HA -0.014 4.334 4.350 -0.003 0.000 0.197 107 E C 2.192 178.877 176.600 0.141 0.000 1.007 107 E CA 1.116 57.572 56.400 0.095 0.000 0.849 107 E CB -1.237 28.445 29.700 -0.029 0.000 0.774 107 E HN 0.306 nan 8.360 nan 0.000 0.506 108 G N 0.215 109.088 108.800 0.121 0.000 2.712 108 G HA2 0.012 3.970 3.960 -0.003 0.000 0.212 108 G HA3 0.012 3.970 3.960 -0.003 0.000 0.212 108 G C 0.209 175.192 174.900 0.138 0.000 1.142 108 G CA -0.034 45.120 45.100 0.091 0.000 0.789 108 G HN 0.099 nan 8.290 nan 0.000 0.535 109 V N 0.868 120.909 119.914 0.210 0.000 2.357 109 V HA 0.444 4.562 4.120 -0.003 0.000 0.284 109 V C -1.020 175.254 176.094 0.299 0.000 1.018 109 V CA -1.227 61.219 62.300 0.244 0.000 0.841 109 V CB 1.270 33.238 31.823 0.242 0.000 0.991 109 V HN 0.148 nan 8.190 nan 0.000 0.437 110 F N 3.988 124.013 119.950 0.124 0.000 2.404 110 F HA 0.692 5.217 4.527 -0.003 0.000 0.358 110 F C 0.995 176.827 175.800 0.053 0.000 1.120 110 F CA -0.504 57.551 58.000 0.092 0.000 1.144 110 F CB 1.329 40.349 39.000 0.034 0.000 1.133 110 F HN 0.540 nan 8.300 nan 0.000 0.495 111 G N 3.601 112.079 108.800 -0.537 0.000 3.774 111 G HA2 0.187 4.144 3.960 -0.003 0.000 0.287 111 G HA3 0.187 4.144 3.960 -0.003 0.000 0.287 111 G C 1.217 175.600 174.900 -0.861 0.000 1.030 111 G CA 0.217 44.940 45.100 -0.627 0.000 0.824 111 G HN 0.957 nan 8.290 nan 0.000 0.518 112 G N 0.537 108.492 108.800 -1.407 0.000 2.446 112 G HA2 -0.117 3.841 3.960 -0.003 0.000 0.217 112 G HA3 -0.117 3.841 3.960 -0.003 0.000 0.217 112 G C 1.123 175.631 174.900 -0.653 0.000 1.168 112 G CA 1.254 45.827 45.100 -0.878 0.000 0.771 112 G HN 0.931 nan 8.290 nan 0.000 0.551 113 S N -1.184 113.883 115.700 -1.056 0.000 3.410 113 S HA -0.268 4.200 4.470 -0.003 0.000 0.369 113 S C 0.255 174.649 174.600 -0.344 0.000 0.961 113 S CA 0.265 57.739 58.200 -1.209 0.000 1.248 113 S CB -1.674 61.118 63.200 -0.681 0.000 0.914 113 S HN 0.603 nan 8.310 nan 0.000 0.497 114 Y N 0.831 121.133 120.300 0.002 0.000 2.712 114 Y HA 0.405 4.953 4.550 -0.003 0.000 0.333 114 Y C 0.863 177.078 175.900 0.524 0.000 1.225 114 Y CA 1.653 59.951 58.100 0.330 0.000 1.499 114 Y CB 0.261 38.990 38.460 0.449 0.000 1.288 114 Y HN 0.617 nan 8.280 nan 0.000 0.575 115 G N 4.118 112.779 108.800 -0.232 0.000 2.404 115 G HA2 0.006 3.964 3.960 -0.003 0.000 0.298 115 G HA3 0.006 3.964 3.960 -0.003 0.000 0.298 115 G C -1.189 173.788 174.900 0.129 0.000 1.577 115 G CA -0.962 44.215 45.100 0.128 0.000 0.847 115 G HN 0.707 nan 8.290 nan 0.000 0.598 116 W N 2.274 123.647 121.300 0.122 0.000 3.047 116 W HA 0.161 4.819 4.660 -0.003 0.000 0.250 116 W C 2.193 178.797 176.519 0.141 0.000 1.314 116 W CA 0.776 58.229 57.345 0.180 0.000 1.540 116 W CB 0.196 29.773 29.460 0.194 0.000 1.127 116 W HN 1.067 nan 8.180 nan 0.000 0.679 117 K N -0.550 120.022 120.400 0.287 0.000 2.247 117 K HA -0.336 3.982 4.320 -0.003 0.000 0.110 117 K C 0.135 176.921 176.600 0.310 0.000 1.338 117 K CA 1.478 57.898 56.287 0.221 0.000 0.620 117 K CB -1.774 30.771 32.500 0.075 0.000 0.492 117 K HN -0.068 nan 8.250 nan 0.000 1.013 118 S N 1.373 117.137 115.700 0.107 0.000 2.595 118 S HA 0.555 5.023 4.470 -0.003 0.000 0.281 118 S C -2.771 171.612 174.600 -0.363 0.000 1.117 118 S CA -1.050 57.104 58.200 -0.077 0.000 0.873 118 S CB 2.247 65.458 63.200 0.018 0.000 1.108 118 S HN 0.547 nan 8.310 nan 0.000 0.477 119 P HA 0.525 nan 4.420 nan 0.000 0.273 119 P C -0.179 176.968 177.300 -0.255 0.000 1.250 119 P CA 0.091 62.898 63.100 -0.489 0.000 0.793 119 P CB 0.185 31.599 31.700 -0.478 0.000 1.011 120 G N 0.266 108.946 108.800 -0.201 0.000 2.801 120 G HA2 -0.030 3.928 3.960 -0.003 0.000 0.648 120 G HA3 -0.030 3.928 3.960 -0.003 0.000 0.648 120 G C 0.279 175.110 174.900 -0.116 0.000 1.415 120 G CA -0.719 44.328 45.100 -0.090 0.000 0.887 120 G HN 0.334 nan 8.290 nan 0.000 0.627 121 R N 0.979 121.421 120.500 -0.097 0.000 2.200 121 R HA 0.115 4.453 4.340 -0.003 0.000 0.208 121 R C 2.290 178.443 176.300 -0.245 0.000 1.033 121 R CA 0.929 56.883 56.100 -0.243 0.000 1.000 121 R CB -0.224 29.852 30.300 -0.373 0.000 0.906 121 R HN 0.530 nan 8.270 nan 0.000 0.462 122 L N 0.120 121.306 121.223 -0.063 0.000 2.185 122 L HA 0.092 4.430 4.340 -0.003 0.000 0.198 122 L C 0.868 177.563 176.870 -0.292 0.000 1.079 122 L CA 1.470 56.212 54.840 -0.163 0.000 0.780 122 L CB -0.353 41.531 42.059 -0.291 0.000 0.955 122 L HN 0.073 nan 8.230 nan 0.000 0.462 123 H N 1.382 120.443 119.070 -0.016 0.000 2.966 123 H HA 0.214 4.768 4.556 -0.003 0.000 0.217 123 H C -0.319 175.004 175.328 -0.008 0.000 1.906 123 H CA -0.145 55.911 56.048 0.014 0.000 1.351 123 H CB -0.959 28.811 29.762 0.013 0.000 1.722 123 H HN 0.242 nan 8.280 nan 0.000 0.562 124 N N 1.927 120.646 118.700 0.032 0.000 2.645 124 N HA -0.011 4.727 4.740 -0.003 0.000 0.233 124 N C 1.364 176.896 175.510 0.037 0.000 1.058 124 N CA -0.382 52.654 53.050 -0.022 0.000 0.942 124 N CB 0.021 38.444 38.487 -0.107 0.000 1.210 124 N HN 0.410 nan 8.380 nan 0.000 0.512 125 C N 1.133 120.495 119.300 0.103 0.000 2.413 125 C HA -0.137 4.321 4.460 -0.003 0.000 0.276 125 C C 2.489 177.523 174.990 0.075 0.000 1.248 125 C CA 1.422 60.551 59.018 0.185 0.000 1.742 125 C CB -1.594 26.283 27.740 0.229 0.000 2.017 125 C HN 0.700 nan 8.230 nan 0.000 0.481 126 T N -1.243 113.306 114.554 -0.009 0.000 2.821 126 T HA -0.138 4.210 4.350 -0.003 0.000 0.267 126 T C 1.604 176.186 174.700 -0.197 0.000 1.046 126 T CA 2.288 64.321 62.100 -0.112 0.000 1.139 126 T CB -1.196 67.617 68.868 -0.092 0.000 0.871 126 T HN 0.587 nan 8.240 nan 0.000 0.454 127 T N 2.103 116.564 114.554 -0.155 0.000 2.857 127 T HA 0.205 4.553 4.350 -0.003 0.000 0.266 127 T C 1.889 176.447 174.700 -0.237 0.000 1.048 127 T CA 0.842 62.826 62.100 -0.193 0.000 1.139 127 T CB -0.453 68.317 68.868 -0.162 0.000 0.874 127 T HN 0.291 nan 8.240 nan 0.000 0.455 128 L N 0.640 121.759 121.223 -0.174 0.000 2.046 128 L HA -0.062 4.276 4.340 -0.003 0.000 0.208 128 L C 2.411 178.954 176.870 -0.544 0.000 1.077 128 L CA 0.862 55.619 54.840 -0.139 0.000 0.747 128 L CB -0.576 41.605 42.059 0.204 0.000 0.896 128 L HN 0.243 nan 8.230 nan 0.000 0.432 129 L N -0.205 120.518 121.223 -0.833 0.000 2.046 129 L HA -0.179 4.159 4.340 -0.003 0.000 0.208 129 L C 2.675 179.029 176.870 -0.859 0.000 1.077 129 L CA 1.668 55.712 54.840 -1.327 0.000 0.747 129 L CB -0.400 41.140 42.059 -0.865 0.000 0.896 129 L HN 0.060 nan 8.230 nan 0.000 0.432 130 R N -0.802 119.310 120.500 -0.648 0.000 2.115 130 R HA -0.102 4.236 4.340 -0.003 0.000 0.226 130 R C 2.446 178.527 176.300 -0.366 0.000 1.100 130 R CA 1.153 56.849 56.100 -0.672 0.000 0.980 130 R CB -0.353 29.591 30.300 -0.593 0.000 0.875 130 R HN 0.402 nan 8.270 nan 0.000 0.445 131 R N 0.693 121.029 120.500 -0.274 0.000 2.083 131 R HA -0.138 4.200 4.340 -0.003 0.000 0.237 131 R C 2.300 178.602 176.300 0.004 0.000 1.137 131 R CA 1.533 57.551 56.100 -0.136 0.000 0.951 131 R CB -0.134 30.027 30.300 -0.232 0.000 0.851 131 R HN 0.139 nan 8.270 nan 0.000 0.434 132 M N 0.734 120.318 119.600 -0.027 0.000 2.099 132 M HA -0.137 4.341 4.480 -0.003 0.000 0.262 132 M C 1.988 178.236 176.300 -0.086 0.000 1.067 132 M CA 1.613 56.882 55.300 -0.052 0.000 1.124 132 M CB -0.385 32.018 32.600 -0.329 0.000 1.353 132 M HN 0.277 nan 8.290 nan 0.000 0.410 133 L N -0.393 120.711 121.223 -0.198 0.000 2.131 133 L HA -0.213 4.125 4.340 -0.003 0.000 0.210 133 L C 2.292 179.239 176.870 0.128 0.000 1.092 133 L CA 1.521 56.320 54.840 -0.069 0.000 0.759 133 L CB -1.113 40.815 42.059 -0.219 0.000 0.903 133 L HN 0.317 nan 8.230 nan 0.000 0.435 134 T N 0.418 115.056 114.554 0.140 0.000 2.684 134 T HA -0.186 4.162 4.350 -0.003 0.000 0.267 134 T C 1.924 176.692 174.700 0.113 0.000 1.036 134 T CA 1.335 63.542 62.100 0.178 0.000 1.148 134 T CB -0.247 68.700 68.868 0.132 0.000 0.863 134 T HN 0.228 nan 8.240 nan 0.000 0.436 135 L N 0.582 121.860 121.223 0.091 0.000 2.201 135 L HA 0.035 4.373 4.340 -0.003 0.000 0.212 135 L C 2.764 179.681 176.870 0.078 0.000 1.105 135 L CA 0.812 55.703 54.840 0.085 0.000 0.775 135 L CB -0.498 41.622 42.059 0.102 0.000 0.913 135 L HN 0.216 nan 8.230 nan 0.000 0.440 136 A N -0.646 122.222 122.820 0.081 0.000 2.206 136 A HA 0.292 4.610 4.320 -0.003 0.000 0.211 136 A C 1.765 179.404 177.584 0.092 0.000 1.158 136 A CA 0.985 53.072 52.037 0.083 0.000 0.761 136 A CB -0.212 18.840 19.000 0.086 0.000 0.801 136 A HN 0.512 nan 8.150 nan 0.000 0.473 137 G N -3.360 105.500 108.800 0.100 0.000 2.367 137 G HA2 0.416 4.374 3.960 -0.003 0.000 0.181 137 G HA3 0.416 4.374 3.960 -0.003 0.000 0.181 137 G C 0.956 175.928 174.900 0.119 0.000 1.000 137 G CA 0.315 45.471 45.100 0.093 0.000 0.693 137 G HN 2.274 nan 8.290 nan 0.000 0.480 138 G N -1.094 107.808 108.800 0.170 0.000 2.355 138 G HA2 0.647 4.605 3.960 -0.003 0.000 0.619 138 G HA3 0.647 4.605 3.960 -0.003 0.000 0.619 138 G C -0.770 174.297 174.900 0.278 0.000 1.337 138 G CA 0.091 45.297 45.100 0.176 0.000 0.993 138 G HN 2.012 nan 8.290 nan 0.000 0.599 139 Y N -3.382 117.028 120.300 0.184 0.000 2.713 139 Y HA 0.722 5.270 4.550 -0.004 0.000 0.335 139 Y C -0.680 175.307 175.900 0.146 0.000 1.222 139 Y CA -1.541 56.641 58.100 0.137 0.000 1.061 139 Y CB 0.760 39.210 38.460 -0.017 0.000 1.314 139 Y HN 0.826 nan 8.280 nan 0.000 0.453 140 V N 2.767 122.849 119.914 0.279 0.000 2.439 140 V HA 0.389 4.507 4.120 -0.003 0.000 0.282 140 V C -0.383 175.766 176.094 0.092 0.000 1.039 140 V CA -0.370 62.035 62.300 0.175 0.000 0.913 140 V CB 1.127 33.177 31.823 0.378 0.000 0.983 140 V HN 0.806 nan 8.190 nan 0.000 0.460 141 N N 2.174 120.870 118.700 -0.007 0.000 2.592 141 N HA 0.680 5.418 4.740 -0.003 0.000 0.292 141 N C -0.165 175.340 175.510 -0.009 0.000 1.260 141 N CA -0.070 52.949 53.050 -0.052 0.000 0.910 141 N CB 2.174 40.678 38.487 0.027 0.000 1.257 141 N HN 0.762 nan 8.380 nan 0.000 0.569 142 G N -1.210 107.574 108.800 -0.027 0.000 2.432 142 G HA2 0.737 4.695 3.960 -0.003 0.000 0.331 142 G HA3 0.737 4.695 3.960 -0.003 0.000 0.331 142 G C -1.407 173.499 174.900 0.010 0.000 1.170 142 G CA -0.432 44.712 45.100 0.073 0.000 0.943 142 G HN 0.610 nan 8.290 nan 0.000 0.483 143 A N -0.063 122.739 122.820 -0.031 0.000 2.380 143 A HA 0.996 5.314 4.320 -0.003 0.000 0.315 143 A C 0.721 178.280 177.584 -0.042 0.000 1.101 143 A CA 0.428 52.429 52.037 -0.059 0.000 0.771 143 A CB 1.097 20.010 19.000 -0.146 0.000 1.287 143 A HN 2.655 nan 8.150 nan 0.000 0.436 144 G N 1.022 109.821 108.800 -0.001 0.000 2.645 144 G HA2 0.211 4.169 3.960 -0.003 0.000 0.246 144 G HA3 0.211 4.169 3.960 -0.003 0.000 0.246 144 G C -0.487 174.445 174.900 0.053 0.000 1.322 144 G CA 0.935 46.045 45.100 0.018 0.000 0.898 144 G HN 2.154 nan 8.290 nan 0.000 0.573 145 D N -3.664 116.753 120.400 0.028 0.000 2.752 145 D HA 0.550 5.188 4.640 -0.003 0.000 0.313 145 D C 0.065 176.327 176.300 -0.062 0.000 1.225 145 D CA -0.754 53.311 54.000 0.107 0.000 0.976 145 D CB 0.163 41.143 40.800 0.300 0.000 1.443 145 D HN 0.351 nan 8.370 nan 0.000 0.515 146 Y N -0.477 119.745 120.300 -0.129 0.000 2.466 146 Y HA 0.230 4.778 4.550 -0.004 0.000 0.272 146 Y C 1.930 177.885 175.900 0.091 0.000 1.169 146 Y CA 0.361 58.410 58.100 -0.085 0.000 1.285 146 Y CB 0.480 38.828 38.460 -0.185 0.000 1.078 146 Y HN 0.299 nan 8.280 nan 0.000 0.523 147 S N -1.228 114.626 115.700 0.257 0.000 2.412 147 S HA -0.051 4.417 4.470 -0.003 0.000 0.223 147 S C 1.430 175.976 174.600 -0.091 0.000 1.048 147 S CA 1.359 59.684 58.200 0.208 0.000 0.954 147 S CB -0.162 63.168 63.200 0.217 0.000 0.840 147 S HN 0.457 nan 8.310 nan 0.000 0.503 148 T N -0.850 113.540 114.554 -0.273 0.000 3.487 148 T HA 0.431 4.779 4.350 -0.003 0.000 0.287 148 T C 1.387 175.939 174.700 -0.246 0.000 1.004 148 T CA 0.153 61.967 62.100 -0.477 0.000 0.977 148 T CB 0.485 68.760 68.868 -0.987 0.000 1.180 148 T HN 0.198 nan 8.240 nan 0.000 0.490 149 G N 1.819 110.547 108.800 -0.121 0.000 2.505 149 G HA2 -0.120 3.838 3.960 -0.003 0.000 0.220 149 G HA3 -0.120 3.838 3.960 -0.003 0.000 0.220 149 G C 1.534 176.404 174.900 -0.050 0.000 1.145 149 G CA 0.957 46.008 45.100 -0.081 0.000 0.761 149 G HN 0.777 nan 8.290 nan 0.000 0.571 150 A N 0.588 123.385 122.820 -0.039 0.000 1.911 150 A HA 0.563 4.881 4.320 -0.003 0.000 0.212 150 A C 2.765 180.320 177.584 -0.050 0.000 1.189 150 A CA 1.649 53.678 52.037 -0.014 0.000 0.639 150 A CB -0.643 18.379 19.000 0.036 0.000 0.839 150 A HN 0.775 nan 8.150 nan 0.000 0.449 151 A N 0.690 123.458 122.820 -0.086 0.000 1.972 151 A HA -0.211 4.107 4.320 -0.003 0.000 0.219 151 A C 2.168 179.625 177.584 -0.212 0.000 1.169 151 A CA 1.709 53.661 52.037 -0.142 0.000 0.635 151 A CB -0.689 18.150 19.000 -0.268 0.000 0.810 151 A HN 0.767 nan 8.150 nan 0.000 0.446 152 Q N -0.699 118.951 119.800 -0.250 0.000 2.369 152 Q HA -0.010 4.328 4.340 -0.003 0.000 0.206 152 Q C 1.319 177.227 176.000 -0.152 0.000 0.963 152 Q CA 1.619 57.281 55.803 -0.235 0.000 0.894 152 Q CB -0.268 28.326 28.738 -0.239 0.000 0.965 152 Q HN 0.364 nan 8.270 nan 0.000 0.475 153 V N 0.156 119.998 119.914 -0.120 0.000 2.949 153 V HA -0.070 4.048 4.120 -0.003 0.000 0.245 153 V C 1.916 177.942 176.094 -0.112 0.000 1.086 153 V CA 0.574 62.805 62.300 -0.115 0.000 1.097 153 V CB 0.039 31.798 31.823 -0.107 0.000 0.762 153 V HN 0.293 nan 8.190 nan 0.000 0.470 154 I N -0.337 120.156 120.570 -0.128 0.000 2.406 154 I HA -0.103 4.065 4.170 -0.003 0.000 0.249 154 I C 2.257 178.224 176.117 -0.249 0.000 1.122 154 I CA 1.600 62.781 61.300 -0.197 0.000 1.431 154 I CB -0.202 37.648 38.000 -0.250 0.000 1.087 154 I HN 0.094 nan 8.210 nan 0.000 0.424 155 M N 0.808 120.290 119.600 -0.197 0.000 2.082 155 M HA -0.128 4.349 4.480 -0.003 0.000 0.258 155 M C -0.206 175.996 176.300 -0.163 0.000 1.069 155 M CA 2.060 57.261 55.300 -0.165 0.000 1.102 155 M CB -2.566 29.966 32.600 -0.114 0.000 1.336 155 M HN 0.131 nan 8.290 nan 0.000 0.404 156 P HA -0.131 nan 4.420 nan 0.000 0.219 156 P C 1.254 178.388 177.300 -0.277 0.000 1.146 156 P CA 1.271 64.230 63.100 -0.235 0.000 0.808 156 P CB -0.331 31.192 31.700 -0.295 0.000 0.779 157 H N -1.853 117.084 119.070 -0.221 0.000 2.535 157 H HA 0.115 4.669 4.556 -0.003 0.000 0.273 157 H C 1.659 176.839 175.328 -0.247 0.000 0.983 157 H CA 0.786 56.688 56.048 -0.244 0.000 1.238 157 H CB 0.031 29.588 29.762 -0.342 0.000 1.412 157 H HN 0.046 nan 8.280 nan 0.000 0.562 158 V N 0.294 120.111 119.914 -0.162 0.000 2.599 158 V HA -0.073 4.045 4.120 -0.003 0.000 0.237 158 V C 2.311 178.377 176.094 -0.047 0.000 1.081 158 V CA 1.106 63.322 62.300 -0.139 0.000 1.107 158 V CB 0.067 31.738 31.823 -0.254 0.000 0.808 158 V HN 0.294 nan 8.190 nan 0.000 0.486 159 V N -2.092 117.800 119.914 -0.038 0.000 3.643 159 V HA 0.689 4.807 4.120 -0.003 0.000 0.280 159 V C 1.409 177.505 176.094 0.002 0.000 1.351 159 V CA 1.004 63.314 62.300 0.017 0.000 1.073 159 V CB -0.056 31.855 31.823 0.145 0.000 0.863 159 V HN 0.737 nan 8.190 nan 0.000 0.436 160 G N 0.975 109.749 108.800 -0.043 0.000 2.279 160 G HA2 -0.200 3.758 3.960 -0.003 0.000 0.223 160 G HA3 -0.200 3.758 3.960 -0.003 0.000 0.223 160 G C 0.399 175.258 174.900 -0.069 0.000 1.015 160 G CA 0.669 45.733 45.100 -0.060 0.000 0.621 160 G HN 1.210 nan 8.290 nan 0.000 0.506 161 T N -2.117 112.409 114.554 -0.047 0.000 2.742 161 T HA 0.703 5.051 4.350 -0.003 0.000 0.282 161 T C 1.117 175.780 174.700 -0.063 0.000 1.025 161 T CA 0.001 62.068 62.100 -0.055 0.000 1.020 161 T CB 1.576 70.423 68.868 -0.036 0.000 1.317 161 T HN 0.486 nan 8.240 nan 0.000 0.538 162 L N 0.928 122.112 121.223 -0.065 0.000 2.042 162 L HA 0.020 4.358 4.340 -0.003 0.000 0.210 162 L C 2.160 178.969 176.870 -0.101 0.000 1.076 162 L CA 2.819 57.601 54.840 -0.097 0.000 0.749 162 L CB -0.950 41.065 42.059 -0.072 0.000 0.893 162 L HN 1.136 nan 8.230 nan 0.000 0.432 163 E N -1.981 118.200 120.200 -0.031 0.000 5.052 163 E HA -0.311 4.037 4.350 -0.003 0.000 0.167 163 E C 1.526 178.131 176.600 0.007 0.000 1.146 163 E CA 1.885 58.302 56.400 0.027 0.000 2.262 163 E CB -1.638 28.122 29.700 0.100 0.000 1.785 163 E HN 0.331 nan 8.360 nan 0.000 0.455 164 V N -1.398 118.426 119.914 -0.150 0.000 2.667 164 V HA 0.023 4.141 4.120 -0.003 0.000 0.252 164 V C 1.465 177.550 176.094 -0.015 0.000 1.065 164 V CA 1.971 64.156 62.300 -0.193 0.000 1.083 164 V CB -0.619 30.747 31.823 -0.761 0.000 0.692 164 V HN 0.324 nan 8.190 nan 0.000 0.468 165 Y N 1.206 121.590 120.300 0.139 0.000 2.781 165 Y HA 0.621 5.169 4.550 -0.003 0.000 0.326 165 Y C 0.407 176.488 175.900 0.302 0.000 1.019 165 Y CA -1.585 56.663 58.100 0.248 0.000 1.372 165 Y CB -0.350 38.147 38.460 0.062 0.000 1.260 165 Y HN 0.460 nan 8.280 nan 0.000 0.546 166 E N 0.032 120.450 120.200 0.364 0.000 2.277 166 E HA 0.330 4.678 4.350 -0.003 0.000 0.266 166 E C -0.918 175.719 176.600 0.061 0.000 0.901 166 E CA -1.449 55.091 56.400 0.234 0.000 0.782 166 E CB 1.844 31.591 29.700 0.079 0.000 1.228 166 E HN 0.004 nan 8.360 nan 0.000 0.424 167 Q N 2.137 121.941 119.800 0.007 0.000 2.330 167 Q HA -0.039 4.299 4.340 -0.003 0.000 0.279 167 Q C -0.706 175.216 176.000 -0.130 0.000 1.024 167 Q CA 0.532 56.210 55.803 -0.208 0.000 0.900 167 Q CB 0.558 29.174 28.738 -0.203 0.000 1.221 167 Q HN 0.248 nan 8.270 nan 0.000 0.396 168 Q N 2.006 121.631 119.800 -0.292 0.000 2.180 168 Q HA 0.324 4.662 4.340 -0.003 0.000 0.241 168 Q C -0.388 175.589 176.000 -0.037 0.000 0.970 168 Q CA -0.563 55.046 55.803 -0.324 0.000 0.919 168 Q CB 0.747 28.920 28.738 -0.942 0.000 1.222 168 Q HN 0.695 nan 8.270 nan 0.000 0.482 169 T N 1.589 116.100 114.554 -0.072 0.000 2.908 169 T HA 0.174 4.522 4.350 -0.003 0.000 0.301 169 T C 0.232 174.953 174.700 0.035 0.000 1.019 169 T CA -0.002 62.078 62.100 -0.034 0.000 1.152 169 T CB 0.142 68.962 68.868 -0.080 0.000 0.966 169 T HN 0.598 nan 8.240 nan 0.000 0.540 170 A N 3.237 126.118 122.820 0.101 0.000 2.555 170 A HA 0.085 4.403 4.320 -0.003 0.000 0.233 170 A C 1.017 178.664 177.584 0.105 0.000 1.060 170 A CA -0.157 51.952 52.037 0.121 0.000 0.759 170 A CB -0.035 19.071 19.000 0.177 0.000 0.995 170 A HN 1.098 nan 8.150 nan 0.000 0.506 171 W N 1.689 123.094 121.300 0.175 0.000 2.318 171 W HA -0.155 4.503 4.660 -0.003 0.000 0.313 171 W C -0.402 176.172 176.519 0.091 0.000 1.221 171 W CA 2.233 59.657 57.345 0.131 0.000 1.266 171 W CB -0.977 28.562 29.460 0.133 0.000 1.150 171 W HN 0.645 nan 8.180 nan 0.000 0.496 172 P HA -0.172 nan 4.420 nan 0.000 0.216 172 P C 1.528 178.917 177.300 0.149 0.000 1.150 172 P CA 1.809 65.035 63.100 0.210 0.000 0.837 172 P CB -0.366 31.438 31.700 0.172 0.000 0.786 173 V N 0.469 120.454 119.914 0.119 0.000 2.332 173 V HA -0.227 3.891 4.120 -0.003 0.000 0.248 173 V C 2.794 178.917 176.094 0.049 0.000 1.055 173 V CA 1.546 63.884 62.300 0.064 0.000 1.038 173 V CB -1.291 30.550 31.823 0.030 0.000 0.651 173 V HN 0.035 nan 8.190 nan 0.000 0.450 174 L N 0.095 121.351 121.223 0.055 0.000 2.046 174 L HA -0.180 4.158 4.340 -0.003 0.000 0.208 174 L C 2.786 179.704 176.870 0.081 0.000 1.077 174 L CA 1.728 56.587 54.840 0.031 0.000 0.747 174 L CB -0.976 41.079 42.059 -0.005 0.000 0.896 174 L HN 0.396 nan 8.230 nan 0.000 0.432 175 A N -0.130 122.774 122.820 0.140 0.000 1.902 175 A HA -0.172 4.146 4.320 -0.003 0.000 0.217 175 A C 2.097 179.730 177.584 0.082 0.000 1.181 175 A CA 1.467 53.581 52.037 0.128 0.000 0.623 175 A CB -0.248 18.839 19.000 0.146 0.000 0.818 175 A HN 0.410 nan 8.150 nan 0.000 0.443 176 E N -0.399 119.843 120.200 0.069 0.000 2.385 176 E HA 0.013 4.361 4.350 -0.003 0.000 0.194 176 E C 0.757 177.376 176.600 0.032 0.000 1.013 176 E CA 0.417 56.847 56.400 0.049 0.000 0.866 176 E CB -0.108 29.620 29.700 0.048 0.000 0.832 176 E HN 0.672 nan 8.360 nan 0.000 0.500 177 N N 0.186 118.900 118.700 0.023 0.000 2.419 177 N HA 0.020 4.758 4.740 -0.003 0.000 0.216 177 N C 0.135 175.639 175.510 -0.009 0.000 1.118 177 N CA 0.212 53.265 53.050 0.004 0.000 0.850 177 N CB 0.767 39.251 38.487 -0.006 0.000 1.292 177 N HN -0.068 nan 8.380 nan 0.000 0.467 178 T N 1.369 115.914 114.554 -0.016 0.000 2.901 178 T HA 0.125 4.473 4.350 -0.003 0.000 0.301 178 T C 1.075 175.759 174.700 -0.027 0.000 1.012 178 T CA 0.446 62.521 62.100 -0.041 0.000 1.135 178 T CB 1.644 70.468 68.868 -0.073 0.000 0.936 178 T HN 0.129 nan 8.240 nan 0.000 0.539 179 E N 1.261 121.441 120.200 -0.033 0.000 2.290 179 E HA 0.166 4.514 4.350 -0.003 0.000 0.199 179 E C -0.154 176.430 176.600 -0.027 0.000 0.912 179 E CA 0.157 56.547 56.400 -0.017 0.000 0.924 179 E CB 0.749 30.448 29.700 -0.002 0.000 0.901 179 E HN 0.269 nan 8.360 nan 0.000 0.487 180 V N 2.118 122.002 119.914 -0.050 0.000 2.483 180 V HA 0.332 4.450 4.120 -0.003 0.000 0.297 180 V C -0.937 175.059 176.094 -0.163 0.000 1.027 180 V CA -0.619 61.641 62.300 -0.065 0.000 0.855 180 V CB 1.600 33.428 31.823 0.009 0.000 0.995 180 V HN 0.126 nan 8.190 nan 0.000 0.424 181 M N 6.738 126.208 119.600 -0.216 0.000 2.114 181 M HA 0.631 5.109 4.480 -0.003 0.000 0.332 181 M C -1.224 174.821 176.300 -0.425 0.000 1.014 181 M CA -0.136 54.942 55.300 -0.370 0.000 0.956 181 M CB 1.453 33.797 32.600 -0.426 0.000 1.551 181 M HN 0.385 nan 8.290 nan 0.000 0.427 182 V N 5.936 125.584 119.914 -0.443 0.000 2.398 182 V HA 0.473 4.591 4.120 -0.003 0.000 0.286 182 V C -0.930 174.974 176.094 -0.315 0.000 1.026 182 V CA -0.475 61.645 62.300 -0.300 0.000 0.868 182 V CB 1.115 32.804 31.823 -0.224 0.000 0.982 182 V HN 0.648 nan 8.190 nan 0.000 0.443 183 F N 4.161 124.132 119.950 0.034 0.000 2.313 183 F HA 0.351 4.876 4.527 -0.004 0.000 0.369 183 F C -0.041 175.853 175.800 0.157 0.000 1.109 183 F CA -0.589 57.471 58.000 0.100 0.000 1.132 183 F CB 0.871 39.922 39.000 0.086 0.000 1.291 183 F HN 0.546 nan 8.300 nan 0.000 0.496 184 W N 4.905 126.313 121.300 0.180 0.000 2.317 184 W HA 0.495 5.153 4.660 -0.003 0.000 0.327 184 W C 0.270 176.866 176.519 0.128 0.000 1.036 184 W CA -1.052 56.377 57.345 0.140 0.000 1.419 184 W CB 0.858 30.379 29.460 0.102 0.000 1.253 184 W HN 0.736 nan 8.180 nan 0.000 0.392 185 A N 4.108 127.179 122.820 0.418 0.000 2.930 185 A HA 0.083 4.401 4.320 -0.003 0.000 0.273 185 A C -0.100 177.573 177.584 0.149 0.000 1.435 185 A CA 1.265 53.478 52.037 0.294 0.000 0.780 185 A CB -1.780 17.420 19.000 0.333 0.000 1.034 185 A HN 1.468 nan 8.150 nan 0.000 0.562 186 A N -0.426 122.478 122.820 0.140 0.000 2.398 186 A HA 0.670 4.988 4.320 -0.003 0.000 0.301 186 A C -0.580 177.018 177.584 0.022 0.000 1.041 186 A CA 0.290 52.337 52.037 0.016 0.000 0.711 186 A CB 1.198 20.262 19.000 0.105 0.000 1.240 186 A HN 0.867 nan 8.150 nan 0.000 0.420 187 D N 3.550 123.934 120.400 -0.026 0.000 2.456 187 D HA 0.350 4.988 4.640 -0.003 0.000 0.287 187 D C -1.667 174.581 176.300 -0.087 0.000 1.186 187 D CA -1.841 52.134 54.000 -0.042 0.000 0.916 187 D CB 1.237 42.065 40.800 0.046 0.000 1.029 187 D HN 0.163 nan 8.370 nan 0.000 0.498 188 P HA -0.130 nan 4.420 nan 0.000 0.216 188 P C 1.871 179.021 177.300 -0.250 0.000 1.150 188 P CA 0.688 63.687 63.100 -0.169 0.000 0.837 188 P CB 0.645 32.204 31.700 -0.234 0.000 0.786 189 I N 0.053 120.477 120.570 -0.243 0.000 2.226 189 I HA -0.236 3.932 4.170 -0.003 0.000 0.245 189 I C 2.731 178.782 176.117 -0.110 0.000 1.100 189 I CA 1.614 62.805 61.300 -0.182 0.000 1.374 189 I CB -0.469 37.472 38.000 -0.098 0.000 1.057 189 I HN 0.032 nan 8.210 nan 0.000 0.413 190 K N 0.946 121.265 120.400 -0.135 0.000 2.021 190 K HA -0.148 4.169 4.320 -0.003 0.000 0.205 190 K C 2.034 178.440 176.600 -0.322 0.000 1.047 190 K CA 1.977 58.023 56.287 -0.402 0.000 0.943 190 K CB -0.114 32.270 32.500 -0.193 0.000 0.725 190 K HN 0.346 nan 8.250 nan 0.000 0.439 191 T N -1.811 112.654 114.554 -0.148 0.000 3.085 191 T HA 0.076 4.424 4.350 -0.003 0.000 0.263 191 T C 1.538 176.215 174.700 -0.039 0.000 1.127 191 T CA 0.760 62.814 62.100 -0.077 0.000 1.103 191 T CB 0.126 69.006 68.868 0.020 0.000 0.921 191 T HN 0.028 nan 8.240 nan 0.000 0.510 192 S N 1.513 117.180 115.700 -0.056 0.000 2.603 192 S HA 0.083 4.551 4.470 -0.003 0.000 0.220 192 S C 1.808 176.534 174.600 0.211 0.000 0.967 192 S CA -0.087 58.111 58.200 -0.005 0.000 0.920 192 S CB -0.215 62.824 63.200 -0.269 0.000 0.773 192 S HN 0.624 nan 8.310 nan 0.000 0.529 193 Q N 0.539 120.427 119.800 0.147 0.000 2.291 193 Q HA 0.009 4.347 4.340 -0.003 0.000 0.205 193 Q C 0.507 176.686 176.000 0.299 0.000 0.970 193 Q CA 0.712 56.628 55.803 0.189 0.000 0.876 193 Q CB -0.242 28.519 28.738 0.038 0.000 0.935 193 Q HN 0.697 nan 8.270 nan 0.000 0.455 194 I N -4.286 116.348 120.570 0.106 0.000 3.067 194 I HA 0.785 4.953 4.170 -0.003 0.000 0.312 194 I C -0.053 176.104 176.117 0.067 0.000 1.073 194 I CA -1.093 60.211 61.300 0.007 0.000 1.016 194 I CB 1.964 39.797 38.000 -0.279 0.000 1.227 194 I HN -0.173 nan 8.210 nan 0.000 0.456 195 G N 0.581 109.466 108.800 0.141 0.000 2.619 195 G HA2 0.254 4.212 3.960 -0.003 0.000 0.296 195 G HA3 0.254 4.212 3.960 -0.003 0.000 0.296 195 G C -0.692 174.465 174.900 0.428 0.000 1.334 195 G CA -0.637 44.568 45.100 0.176 0.000 0.934 195 G HN 0.976 nan 8.290 nan 0.000 0.476 196 W N 1.382 122.736 121.300 0.090 0.000 2.407 196 W HA 0.041 4.699 4.660 -0.004 0.000 0.305 196 W C 0.660 177.175 176.519 -0.007 0.000 1.196 196 W CA 1.882 59.159 57.345 -0.113 0.000 1.311 196 W CB 0.072 29.367 29.460 -0.276 0.000 1.135 196 W HN 0.440 nan 8.180 nan 0.000 0.514 197 V N 0.032 119.948 119.914 0.003 0.000 3.406 197 V HA 0.344 4.462 4.120 -0.003 0.000 0.305 197 V C 0.570 176.637 176.094 -0.046 0.000 1.136 197 V CA -1.308 60.921 62.300 -0.118 0.000 1.011 197 V CB 0.466 32.249 31.823 -0.067 0.000 1.221 197 V HN -0.070 nan 8.190 nan 0.000 0.454 198 I N 2.777 123.308 120.570 -0.065 0.000 2.668 198 I HA 0.237 4.405 4.170 -0.003 0.000 0.285 198 I C -2.029 174.076 176.117 -0.020 0.000 1.168 198 I CA -1.977 59.301 61.300 -0.036 0.000 1.424 198 I CB -0.499 37.457 38.000 -0.074 0.000 1.377 198 I HN 0.592 nan 8.210 nan 0.000 0.560 199 P HA 0.138 nan 4.420 nan 0.000 0.277 199 P C 0.128 177.339 177.300 -0.149 0.000 1.240 199 P CA -0.185 62.861 63.100 -0.090 0.000 0.798 199 P CB 1.066 32.668 31.700 -0.163 0.000 0.979 200 E N 1.454 121.627 120.200 -0.044 0.000 2.498 200 E HA -0.053 4.295 4.350 -0.003 0.000 0.203 200 E C -0.110 176.559 176.600 0.116 0.000 1.013 200 E CA -0.156 56.283 56.400 0.066 0.000 0.927 200 E CB -1.120 28.681 29.700 0.169 0.000 1.012 200 E HN 0.600 nan 8.360 nan 0.000 0.482 201 H N -0.369 118.846 119.070 0.241 0.000 2.741 201 H HA -0.147 4.407 4.556 -0.003 0.000 0.305 201 H C 1.211 176.700 175.328 0.268 0.000 1.169 201 H CA -0.017 56.215 56.048 0.307 0.000 1.144 201 H CB -1.553 28.403 29.762 0.324 0.000 1.397 201 H HN 0.445 nan 8.280 nan 0.000 0.409 202 G N -0.019 108.941 108.800 0.266 0.000 2.471 202 G HA2 -0.048 3.910 3.960 -0.003 0.000 0.219 202 G HA3 -0.048 3.910 3.960 -0.003 0.000 0.219 202 G C 1.676 176.604 174.900 0.047 0.000 1.125 202 G CA 0.600 45.814 45.100 0.190 0.000 0.775 202 G HN 0.608 nan 8.290 nan 0.000 0.548 203 A N -0.028 122.780 122.820 -0.019 0.000 2.014 203 A HA 0.157 4.475 4.320 -0.003 0.000 0.218 203 A C 2.039 179.228 177.584 -0.658 0.000 1.163 203 A CA 0.913 52.724 52.037 -0.375 0.000 0.652 203 A CB -0.415 18.484 19.000 -0.168 0.000 0.808 203 A HN 0.379 nan 8.150 nan 0.000 0.449 204 Y N 0.518 120.642 120.300 -0.295 0.000 2.114 204 Y HA -0.109 4.439 4.550 -0.003 0.000 0.284 204 Y C -0.074 175.660 175.900 -0.277 0.000 1.143 204 Y CA 2.061 59.956 58.100 -0.341 0.000 1.135 204 Y CB -1.669 36.603 38.460 -0.313 0.000 0.980 204 Y HN 0.286 nan 8.280 nan 0.000 0.499 205 P HA -0.154 nan 4.420 nan 0.000 0.216 205 P C 1.795 178.989 177.300 -0.177 0.000 1.153 205 P CA 2.241 65.309 63.100 -0.053 0.000 0.858 205 P CB -0.358 31.340 31.700 -0.002 0.000 0.789 206 G N -0.018 108.498 108.800 -0.473 0.000 2.418 206 G HA2 -0.218 3.740 3.960 -0.003 0.000 0.217 206 G HA3 -0.218 3.740 3.960 -0.003 0.000 0.217 206 G C 1.581 176.118 174.900 -0.605 0.000 1.158 206 G CA 0.600 45.242 45.100 -0.763 0.000 0.771 206 G HN 0.231 nan 8.290 nan 0.000 0.545 207 L N -0.013 120.825 121.223 -0.643 0.000 2.056 207 L HA -0.036 4.302 4.340 -0.003 0.000 0.207 207 L C 2.862 179.847 176.870 0.192 0.000 1.078 207 L CA 1.193 55.972 54.840 -0.101 0.000 0.749 207 L CB -0.414 41.532 42.059 -0.188 0.000 0.901 207 L HN 0.266 nan 8.230 nan 0.000 0.433 208 E N 0.153 120.403 120.200 0.083 0.000 2.118 208 E HA -0.228 4.120 4.350 -0.003 0.000 0.195 208 E C 2.275 178.972 176.600 0.162 0.000 0.992 208 E CA 1.211 57.733 56.400 0.204 0.000 0.804 208 E CB -0.166 29.616 29.700 0.137 0.000 0.741 208 E HN 0.506 nan 8.360 nan 0.000 0.458 209 A N 0.746 123.633 122.820 0.111 0.000 2.015 209 A HA -0.101 4.217 4.320 -0.003 0.000 0.219 209 A C 2.102 179.785 177.584 0.165 0.000 1.163 209 A CA 0.771 52.880 52.037 0.120 0.000 0.646 209 A CB -0.391 18.673 19.000 0.106 0.000 0.806 209 A HN 0.125 nan 8.150 nan 0.000 0.448 210 L N -0.688 120.677 121.223 0.236 0.000 2.056 210 L HA -0.153 4.185 4.340 -0.003 0.000 0.207 210 L C 2.612 179.648 176.870 0.277 0.000 1.078 210 L CA 1.841 56.841 54.840 0.265 0.000 0.749 210 L CB -0.464 41.793 42.059 0.330 0.000 0.901 210 L HN 0.453 nan 8.230 nan 0.000 0.433 211 K N 0.665 121.284 120.400 0.365 0.000 2.097 211 K HA -0.143 4.175 4.320 -0.003 0.000 0.205 211 K C 2.124 178.785 176.600 0.102 0.000 1.050 211 K CA 1.201 57.628 56.287 0.233 0.000 0.938 211 K CB -0.010 32.480 32.500 -0.016 0.000 0.718 211 K HN 0.240 nan 8.250 nan 0.000 0.442 212 A N 1.386 124.263 122.820 0.096 0.000 1.969 212 A HA -0.103 4.215 4.320 -0.003 0.000 0.218 212 A C 1.893 179.516 177.584 0.065 0.000 1.169 212 A CA 1.189 53.264 52.037 0.064 0.000 0.635 212 A CB -0.244 18.795 19.000 0.065 0.000 0.810 212 A HN 0.134 nan 8.150 nan 0.000 0.445 213 K N -1.229 119.221 120.400 0.083 0.000 2.439 213 K HA 0.011 4.329 4.320 -0.003 0.000 0.197 213 K C 1.238 177.874 176.600 0.060 0.000 1.041 213 K CA 0.806 57.135 56.287 0.070 0.000 0.970 213 K CB -0.412 32.136 32.500 0.079 0.000 0.773 213 K HN 0.774 nan 8.250 nan 0.000 0.479 214 G N 1.802 110.643 108.800 0.068 0.000 2.153 214 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.252 214 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.252 214 G C 0.259 175.188 174.900 0.048 0.000 0.994 214 G CA 0.723 45.856 45.100 0.055 0.000 0.698 214 G HN 0.273 nan 8.290 nan 0.000 0.521 215 T N 0.287 114.871 114.554 0.050 0.000 2.937 215 T HA 0.282 4.630 4.350 -0.003 0.000 0.316 215 T C 0.814 175.513 174.700 -0.002 0.000 1.079 215 T CA 0.903 63.014 62.100 0.020 0.000 1.131 215 T CB 0.871 69.747 68.868 0.014 0.000 1.000 215 T HN 0.632 nan 8.240 nan 0.000 0.549 216 K N 2.627 123.019 120.400 -0.013 0.000 2.339 216 K HA 0.356 4.674 4.320 -0.003 0.000 0.286 216 K C -1.094 175.465 176.600 -0.068 0.000 1.050 216 K CA -0.465 55.813 56.287 -0.016 0.000 0.956 216 K CB 0.389 32.894 32.500 0.009 0.000 0.990 216 K HN 0.290 nan 8.250 nan 0.000 0.475 217 V N 6.538 126.400 119.914 -0.087 0.000 2.495 217 V HA 0.439 4.557 4.120 -0.003 0.000 0.298 217 V C -0.327 175.741 176.094 -0.045 0.000 1.031 217 V CA -0.800 61.402 62.300 -0.163 0.000 0.871 217 V CB 1.337 32.925 31.823 -0.392 0.000 0.988 217 V HN 0.717 nan 8.190 nan 0.000 0.432 218 I N 4.662 125.213 120.570 -0.032 0.000 2.436 218 I HA 0.522 4.690 4.170 -0.003 0.000 0.289 218 I C -0.656 175.505 176.117 0.074 0.000 1.010 218 I CA -0.673 60.650 61.300 0.039 0.000 1.098 218 I CB 2.206 40.248 38.000 0.070 0.000 1.266 218 I HN 0.293 nan 8.210 nan 0.000 0.434 219 V N 7.288 127.278 119.914 0.127 0.000 2.417 219 V HA 0.463 4.581 4.120 -0.003 0.000 0.291 219 V C -0.062 176.112 176.094 0.133 0.000 1.024 219 V CA -0.485 61.919 62.300 0.173 0.000 0.861 219 V CB 1.795 33.725 31.823 0.179 0.000 0.985 219 V HN 0.466 nan 8.190 nan 0.000 0.436 220 I N 4.662 125.238 120.570 0.010 0.000 2.405 220 I HA 0.545 4.713 4.170 -0.003 0.000 0.280 220 I C -0.823 175.307 176.117 0.021 0.000 1.027 220 I CA 0.141 61.354 61.300 -0.144 0.000 1.161 220 I CB 1.052 38.636 38.000 -0.693 0.000 1.300 220 I HN 0.600 nan 8.210 nan 0.000 0.463 221 D N 8.156 128.637 120.400 0.135 0.000 2.769 221 D HA 0.218 4.856 4.640 -0.003 0.000 0.219 221 D C -2.418 174.010 176.300 0.214 0.000 1.245 221 D CA -1.314 52.803 54.000 0.195 0.000 0.801 221 D CB 3.280 44.218 40.800 0.230 0.000 1.598 221 D HN 0.039 nan 8.370 nan 0.000 0.485 222 P HA 0.033 nan 4.420 nan 0.000 0.233 222 P C 0.351 177.755 177.300 0.173 0.000 1.167 222 P CA 0.307 63.471 63.100 0.106 0.000 0.770 222 P CB 0.470 32.213 31.700 0.072 0.000 0.837 223 V N 1.070 121.124 119.914 0.233 0.000 2.513 223 V HA 0.317 4.435 4.120 -0.003 0.000 0.299 223 V C 0.769 176.995 176.094 0.220 0.000 1.035 223 V CA -1.061 61.368 62.300 0.215 0.000 0.889 223 V CB 2.116 34.040 31.823 0.168 0.000 0.988 223 V HN -0.101 nan 8.190 nan 0.000 0.440 224 R N 3.212 123.820 120.500 0.179 0.000 2.612 224 R HA 0.246 4.584 4.340 -0.003 0.000 0.273 224 R C 0.467 176.762 176.300 -0.010 0.000 1.376 224 R CA -0.133 55.959 56.100 -0.014 0.000 1.171 224 R CB 0.027 30.369 30.300 0.071 0.000 1.151 224 R HN 0.978 nan 8.270 nan 0.000 0.560 225 T N -0.130 114.411 114.554 -0.022 0.000 2.770 225 T HA 0.169 4.517 4.350 -0.003 0.000 0.281 225 T C 1.070 175.808 174.700 0.063 0.000 0.981 225 T CA -0.614 61.522 62.100 0.061 0.000 0.955 225 T CB 1.040 69.963 68.868 0.093 0.000 1.060 225 T HN 0.457 nan 8.240 nan 0.000 0.531 226 K N -0.139 120.332 120.400 0.119 0.000 2.211 226 K HA -0.059 4.259 4.320 -0.003 0.000 0.203 226 K C 2.439 179.117 176.600 0.129 0.000 1.050 226 K CA 1.210 57.574 56.287 0.127 0.000 0.945 226 K CB -0.553 32.060 32.500 0.188 0.000 0.732 226 K HN 0.601 nan 8.250 nan 0.000 0.451 227 T N 1.208 115.824 114.554 0.102 0.000 2.708 227 T HA -0.122 4.226 4.350 -0.003 0.000 0.266 227 T C 2.062 176.925 174.700 0.272 0.000 1.037 227 T CA 1.209 63.391 62.100 0.136 0.000 1.146 227 T CB -0.222 68.646 68.868 -0.001 0.000 0.865 227 T HN -0.055 nan 8.240 nan 0.000 0.435 228 V N 1.510 121.501 119.914 0.129 0.000 2.255 228 V HA -0.210 3.908 4.120 -0.003 0.000 0.247 228 V C 2.498 178.671 176.094 0.131 0.000 1.051 228 V CA 1.896 64.247 62.300 0.084 0.000 1.018 228 V CB -0.639 31.085 31.823 -0.166 0.000 0.641 228 V HN 0.541 nan 8.190 nan 0.000 0.445 229 E N -0.622 119.635 120.200 0.094 0.000 2.077 229 E HA -0.254 4.094 4.350 -0.003 0.000 0.193 229 E C 2.005 178.666 176.600 0.101 0.000 0.989 229 E CA 1.632 58.084 56.400 0.086 0.000 0.800 229 E CB -0.301 29.441 29.700 0.070 0.000 0.746 229 E HN 0.607 nan 8.360 nan 0.000 0.452 230 F N 0.129 120.055 119.950 -0.040 0.000 2.126 230 F HA -0.181 4.344 4.527 -0.003 0.000 0.299 230 F C 1.433 177.100 175.800 -0.222 0.000 1.096 230 F CA 1.357 59.249 58.000 -0.181 0.000 1.255 230 F CB -0.012 38.782 39.000 -0.344 0.000 0.997 230 F HN -0.070 nan 8.300 nan 0.000 0.479 231 F N 0.312 120.237 119.950 -0.042 0.000 2.749 231 F HA 0.330 4.855 4.527 -0.003 0.000 0.300 231 F C 1.812 177.575 175.800 -0.061 0.000 1.103 231 F CA 0.437 58.371 58.000 -0.110 0.000 1.342 231 F CB -0.558 38.488 39.000 0.077 0.000 1.098 231 F HN 0.029 nan 8.300 nan 0.000 0.586 232 G N 1.490 110.366 108.800 0.125 0.000 2.338 232 G HA2 -0.121 3.837 3.960 -0.003 0.000 0.296 232 G HA3 -0.121 3.837 3.960 -0.003 0.000 0.296 232 G C 0.377 175.350 174.900 0.121 0.000 1.040 232 G CA 0.028 45.181 45.100 0.089 0.000 1.004 232 G HN 0.641 nan 8.290 nan 0.000 0.509 233 A N -0.501 122.416 122.820 0.163 0.000 2.366 233 A HA 0.625 4.943 4.320 -0.003 0.000 0.249 233 A C 0.724 178.378 177.584 0.117 0.000 1.084 233 A CA 0.369 52.489 52.037 0.139 0.000 0.794 233 A CB 0.405 19.503 19.000 0.164 0.000 1.034 233 A HN 0.966 nan 8.150 nan 0.000 0.491 234 E N 0.845 121.103 120.200 0.097 0.000 2.299 234 E HA 0.072 4.420 4.350 -0.003 0.000 0.272 234 E C -0.465 176.226 176.600 0.151 0.000 1.043 234 E CA -0.004 56.454 56.400 0.097 0.000 0.895 234 E CB 0.154 29.889 29.700 0.058 0.000 1.011 234 E HN 0.724 nan 8.360 nan 0.000 0.432 235 H N 6.496 125.581 119.070 0.025 0.000 2.541 235 H HA 0.250 4.804 4.556 -0.003 0.000 0.316 235 H C -0.642 174.680 175.328 -0.010 0.000 1.043 235 H CA -1.121 54.940 56.048 0.020 0.000 1.232 235 H CB 0.649 30.436 29.762 0.041 0.000 1.406 235 H HN 0.450 nan 8.280 nan 0.000 0.469 236 I N 5.334 125.862 120.570 -0.070 0.000 2.336 236 I HA 0.063 4.231 4.170 -0.003 0.000 0.292 236 I C 0.543 176.487 176.117 -0.288 0.000 0.991 236 I CA -0.467 60.717 61.300 -0.194 0.000 1.227 236 I CB 1.264 39.163 38.000 -0.168 0.000 1.366 236 I HN 0.600 nan 8.210 nan 0.000 0.466 237 T N 4.844 119.213 114.554 -0.308 0.000 2.963 237 T HA 0.523 4.871 4.350 -0.003 0.000 0.343 237 T C -2.348 172.273 174.700 -0.132 0.000 1.146 237 T CA -1.683 60.273 62.100 -0.239 0.000 1.016 237 T CB 1.182 69.888 68.868 -0.270 0.000 1.046 237 T HN 0.349 nan 8.240 nan 0.000 0.496 238 P HA 0.395 nan 4.420 nan 0.000 0.282 238 P C -0.645 176.624 177.300 -0.052 0.000 1.259 238 P CA -0.830 62.233 63.100 -0.062 0.000 0.826 238 P CB 1.196 32.886 31.700 -0.018 0.000 1.064 239 K N 2.084 122.447 120.400 -0.061 0.000 2.368 239 K HA 0.245 4.563 4.320 -0.003 0.000 0.282 239 K C -2.122 174.432 176.600 -0.078 0.000 1.035 239 K CA -1.470 54.777 56.287 -0.066 0.000 0.973 239 K CB -0.694 31.773 32.500 -0.056 0.000 0.957 239 K HN 0.351 nan 8.250 nan 0.000 0.474 240 P HA -0.135 nan 4.420 nan 0.000 0.263 240 P C -0.663 176.562 177.300 -0.126 0.000 1.175 240 P CA 0.635 63.580 63.100 -0.259 0.000 0.761 240 P CB 0.439 31.661 31.700 -0.796 0.000 0.794 241 Q N -0.757 119.064 119.800 0.035 0.000 2.431 241 Q HA -0.157 4.181 4.340 -0.003 0.000 0.230 241 Q C 0.364 176.541 176.000 0.294 0.000 0.701 241 Q CA 1.412 57.315 55.803 0.166 0.000 1.290 241 Q CB -2.589 26.256 28.738 0.179 0.000 1.362 241 Q HN 0.719 nan 8.270 nan 0.000 0.762 242 T N -4.987 109.691 114.554 0.206 0.000 3.132 242 T HA 0.206 4.554 4.350 -0.003 0.000 0.274 242 T C 0.553 175.316 174.700 0.105 0.000 1.011 242 T CA 0.418 62.600 62.100 0.136 0.000 0.899 242 T CB 0.289 69.112 68.868 -0.074 0.000 1.089 242 T HN 0.095 nan 8.240 nan 0.000 0.543 243 D N 1.593 122.125 120.400 0.220 0.000 2.149 243 D HA -0.087 4.550 4.640 -0.003 0.000 0.198 243 D C 1.984 178.429 176.300 0.241 0.000 0.990 243 D CA 0.937 55.117 54.000 0.299 0.000 0.839 243 D CB -0.112 40.903 40.800 0.359 0.000 0.948 243 D HN 0.243 nan 8.370 nan 0.000 0.460 244 V N 0.789 120.849 119.914 0.244 0.000 2.407 244 V HA -0.253 3.865 4.120 -0.003 0.000 0.248 244 V C 2.359 178.602 176.094 0.247 0.000 1.055 244 V CA 1.759 64.218 62.300 0.264 0.000 1.049 244 V CB -0.697 31.367 31.823 0.401 0.000 0.662 244 V HN 0.265 nan 8.190 nan 0.000 0.455 245 A N 0.052 122.895 122.820 0.039 0.000 1.908 245 A HA -0.218 4.100 4.320 -0.003 0.000 0.218 245 A C 2.143 179.738 177.584 0.018 0.000 1.181 245 A CA 2.131 54.056 52.037 -0.186 0.000 0.627 245 A CB -0.578 17.846 19.000 -0.961 0.000 0.818 245 A HN 0.527 nan 8.150 nan 0.000 0.445 246 I N -0.952 119.641 120.570 0.037 0.000 2.286 246 I HA -0.303 3.865 4.170 -0.003 0.000 0.248 246 I C 2.696 178.960 176.117 0.244 0.000 1.115 246 I CA 1.564 62.942 61.300 0.131 0.000 1.392 246 I CB -0.309 37.806 38.000 0.193 0.000 1.065 246 I HN 0.336 nan 8.210 nan 0.000 0.418 247 M N -0.092 119.675 119.600 0.278 0.000 2.175 247 M HA -0.184 4.294 4.480 -0.003 0.000 0.264 247 M C 2.292 178.732 176.300 0.233 0.000 1.063 247 M CA 1.772 57.221 55.300 0.248 0.000 1.119 247 M CB -0.262 32.395 32.600 0.095 0.000 1.377 247 M HN 0.220 nan 8.290 nan 0.000 0.415 248 L N -0.671 120.706 121.223 0.256 0.000 2.056 248 L HA -0.093 4.245 4.340 -0.003 0.000 0.207 248 L C 2.694 179.695 176.870 0.217 0.000 1.078 248 L CA 1.309 56.302 54.840 0.255 0.000 0.749 248 L CB -1.191 41.028 42.059 0.267 0.000 0.901 248 L HN 0.392 nan 8.230 nan 0.000 0.433 249 G N -0.310 108.635 108.800 0.241 0.000 2.440 249 G HA2 -0.286 3.672 3.960 -0.003 0.000 0.218 249 G HA3 -0.286 3.672 3.960 -0.003 0.000 0.218 249 G C 1.625 176.626 174.900 0.169 0.000 1.154 249 G CA 0.870 46.083 45.100 0.189 0.000 0.767 249 G HN 0.212 nan 8.290 nan 0.000 0.552 250 M N 0.623 120.325 119.600 0.171 0.000 2.132 250 M HA 0.058 4.536 4.480 -0.003 0.000 0.263 250 M C 3.084 179.476 176.300 0.154 0.000 1.065 250 M CA 1.289 56.678 55.300 0.149 0.000 1.122 250 M CB -0.220 32.492 32.600 0.187 0.000 1.365 250 M HN 0.304 nan 8.290 nan 0.000 0.411 251 A N -0.355 122.571 122.820 0.178 0.000 1.883 251 A HA -0.240 4.078 4.320 -0.003 0.000 0.217 251 A C 2.064 179.704 177.584 0.093 0.000 1.186 251 A CA 1.851 53.983 52.037 0.157 0.000 0.624 251 A CB -1.274 17.862 19.000 0.228 0.000 0.822 251 A HN 0.565 nan 8.150 nan 0.000 0.444 252 H N 0.160 119.238 119.070 0.014 0.000 2.319 252 H HA -0.127 4.427 4.556 -0.003 0.000 0.299 252 H C 2.029 177.354 175.328 -0.005 0.000 1.092 252 H CA 2.229 58.253 56.048 -0.040 0.000 1.302 252 H CB -0.395 29.325 29.762 -0.070 0.000 1.373 252 H HN 0.430 nan 8.280 nan 0.000 0.497 253 T N 1.823 116.465 114.554 0.146 0.000 2.720 253 T HA -0.129 4.219 4.350 -0.003 0.000 0.268 253 T C 2.461 177.182 174.700 0.035 0.000 1.037 253 T CA 1.344 63.496 62.100 0.088 0.000 1.144 253 T CB -0.350 68.572 68.868 0.091 0.000 0.864 253 T HN 0.251 nan 8.240 nan 0.000 0.444 254 L N 0.580 121.839 121.223 0.059 0.000 2.131 254 L HA -0.069 4.269 4.340 -0.003 0.000 0.210 254 L C 2.565 179.532 176.870 0.162 0.000 1.092 254 L CA 0.707 55.615 54.840 0.113 0.000 0.759 254 L CB -0.531 41.614 42.059 0.144 0.000 0.903 254 L HN 0.174 nan 8.230 nan 0.000 0.435 255 V N -0.299 119.621 119.914 0.009 0.000 2.346 255 V HA -0.162 3.956 4.120 -0.003 0.000 0.244 255 V C 2.696 178.790 176.094 0.000 0.000 1.037 255 V CA 1.601 63.911 62.300 0.016 0.000 1.029 255 V CB -0.648 31.067 31.823 -0.181 0.000 0.663 255 V HN 0.433 nan 8.190 nan 0.000 0.454 256 A N -0.107 122.621 122.820 -0.154 0.000 1.933 256 A HA -0.218 4.100 4.320 -0.003 0.000 0.218 256 A C 1.958 179.530 177.584 -0.020 0.000 1.175 256 A CA 1.791 53.753 52.037 -0.125 0.000 0.628 256 A CB -0.385 18.514 19.000 -0.168 0.000 0.814 256 A HN 0.665 nan 8.150 nan 0.000 0.444 257 E N -0.886 119.322 120.200 0.013 0.000 2.465 257 E HA 0.089 4.437 4.350 -0.003 0.000 0.191 257 E C -0.490 176.136 176.600 0.044 0.000 1.053 257 E CA 0.153 56.569 56.400 0.028 0.000 0.869 257 E CB 0.050 29.767 29.700 0.028 0.000 0.977 257 E HN 0.472 nan 8.360 nan 0.000 0.483 258 D N 0.451 120.897 120.400 0.078 0.000 2.697 258 D HA -0.191 4.447 4.640 -0.003 0.000 0.238 258 D C 0.168 176.497 176.300 0.049 0.000 1.152 258 D CA 0.470 54.520 54.000 0.084 0.000 0.666 258 D CB -1.012 39.804 40.800 0.027 0.000 1.037 258 D HN 0.284 nan 8.370 nan 0.000 0.423 259 L N -0.439 120.852 121.223 0.113 0.000 2.537 259 L HA 0.133 4.471 4.340 -0.003 0.000 0.224 259 L C 1.416 178.333 176.870 0.078 0.000 1.065 259 L CA -0.527 54.355 54.840 0.070 0.000 0.860 259 L CB -0.366 41.740 42.059 0.079 0.000 1.086 259 L HN 0.282 nan 8.230 nan 0.000 0.482 260 Y N -0.083 120.229 120.300 0.020 0.000 2.554 260 Y HA 0.034 4.582 4.550 -0.003 0.000 0.353 260 Y C 0.300 176.202 175.900 0.004 0.000 1.269 260 Y CA -0.964 57.143 58.100 0.012 0.000 1.494 260 Y CB -0.203 38.263 38.460 0.011 0.000 1.365 260 Y HN -0.107 nan 8.280 nan 0.000 0.664 261 D N 1.289 121.710 120.400 0.036 0.000 2.441 261 D HA 0.129 4.767 4.640 -0.003 0.000 0.221 261 D C 0.106 176.374 176.300 -0.054 0.000 1.156 261 D CA -0.242 53.742 54.000 -0.026 0.000 0.896 261 D CB 0.666 41.513 40.800 0.079 0.000 1.028 261 D HN 0.715 nan 8.370 nan 0.000 0.509 262 K N 1.822 122.074 120.400 -0.248 0.000 2.148 262 K HA -0.081 4.237 4.320 -0.003 0.000 0.204 262 K C 0.977 177.556 176.600 -0.036 0.000 1.050 262 K CA 0.743 56.918 56.287 -0.186 0.000 0.942 262 K CB 0.483 32.832 32.500 -0.252 0.000 0.724 262 K HN 0.385 nan 8.250 nan 0.000 0.446 263 D N 0.564 120.963 120.400 -0.002 0.000 2.123 263 D HA -0.142 4.496 4.640 -0.003 0.000 0.200 263 D C 1.715 178.060 176.300 0.076 0.000 0.976 263 D CA 0.863 54.876 54.000 0.020 0.000 0.831 263 D CB -0.220 40.598 40.800 0.030 0.000 0.974 263 D HN 0.076 nan 8.370 nan 0.000 0.469 264 F N 1.869 121.863 119.950 0.074 0.000 2.075 264 F HA -0.207 4.318 4.527 -0.003 0.000 0.297 264 F C 2.217 178.120 175.800 0.171 0.000 1.113 264 F CA 1.092 59.205 58.000 0.187 0.000 1.218 264 F CB -0.079 38.972 39.000 0.085 0.000 0.984 264 F HN -0.196 nan 8.300 nan 0.000 0.472 265 I N 0.823 121.542 120.570 0.247 0.000 2.151 265 I HA -0.331 3.837 4.170 -0.003 0.000 0.243 265 I C 2.735 178.854 176.117 0.003 0.000 1.080 265 I CA 1.696 63.052 61.300 0.093 0.000 1.339 265 I CB -2.101 35.854 38.000 -0.075 0.000 1.039 265 I HN 0.267 nan 8.210 nan 0.000 0.409 266 A N 0.596 123.403 122.820 -0.022 0.000 1.933 266 A HA -0.169 4.149 4.320 -0.003 0.000 0.218 266 A C 2.019 179.516 177.584 -0.145 0.000 1.175 266 A CA 1.658 53.665 52.037 -0.050 0.000 0.628 266 A CB -0.456 18.516 19.000 -0.046 0.000 0.814 266 A HN 0.485 nan 8.150 nan 0.000 0.444 267 N N -2.362 116.163 118.700 -0.291 0.000 2.388 267 N HA 0.077 4.815 4.740 -0.003 0.000 0.176 267 N C 0.305 175.359 175.510 -0.760 0.000 1.062 267 N CA 0.768 53.489 53.050 -0.547 0.000 0.895 267 N CB 0.158 38.189 38.487 -0.761 0.000 1.018 267 N HN 0.627 nan 8.380 nan 0.000 0.456 268 Y N -0.034 120.013 120.300 -0.421 0.000 2.527 268 Y HA 0.192 4.740 4.550 -0.004 0.000 0.247 268 Y C 1.063 176.930 175.900 -0.056 0.000 1.138 268 Y CA -0.365 57.509 58.100 -0.377 0.000 1.228 268 Y CB 0.522 38.419 38.460 -0.938 0.000 1.252 268 Y HN -0.122 nan 8.280 nan 0.000 0.531 269 T N -2.824 111.774 114.554 0.075 0.000 2.926 269 T HA 0.708 5.056 4.350 -0.003 0.000 0.289 269 T C -0.464 174.322 174.700 0.143 0.000 1.054 269 T CA -0.892 61.309 62.100 0.168 0.000 1.015 269 T CB 2.186 71.177 68.868 0.206 0.000 1.167 269 T HN -0.095 nan 8.240 nan 0.000 0.526 270 S N -0.961 114.845 115.700 0.178 0.000 2.575 270 S HA 0.613 5.081 4.470 -0.003 0.000 0.278 270 S C 0.688 175.419 174.600 0.218 0.000 1.139 270 S CA 0.452 58.753 58.200 0.169 0.000 0.954 270 S CB 0.626 63.914 63.200 0.146 0.000 1.054 270 S HN 2.363 nan 8.310 nan 0.000 0.483 271 G N 3.438 112.362 108.800 0.206 0.000 2.141 271 G HA2 -0.255 3.703 3.960 -0.003 0.000 0.231 271 G HA3 -0.255 3.703 3.960 -0.003 0.000 0.231 271 G C 0.492 175.533 174.900 0.235 0.000 0.984 271 G CA 0.327 45.556 45.100 0.214 0.000 0.660 271 G HN 0.869 nan 8.290 nan 0.000 0.525 272 F N 2.620 122.643 119.950 0.123 0.000 2.134 272 F HA -0.052 4.473 4.527 -0.003 0.000 0.299 272 F C 2.503 178.377 175.800 0.123 0.000 1.097 272 F CA 2.351 60.442 58.000 0.151 0.000 1.264 272 F CB -0.017 39.074 39.000 0.153 0.000 1.001 272 F HN 0.343 nan 8.300 nan 0.000 0.479 273 D N -0.004 120.441 120.400 0.074 0.000 2.265 273 D HA -0.229 4.409 4.640 -0.003 0.000 0.208 273 D C 1.509 177.718 176.300 -0.151 0.000 0.977 273 D CA 1.223 55.192 54.000 -0.052 0.000 0.871 273 D CB -0.647 40.160 40.800 0.013 0.000 0.925 273 D HN 0.381 nan 8.370 nan 0.000 0.485 274 K N -0.867 119.438 120.400 -0.158 0.000 2.361 274 K HA 0.022 4.340 4.320 -0.003 0.000 0.196 274 K C 1.530 178.012 176.600 -0.197 0.000 1.039 274 K CA -0.024 56.115 56.287 -0.248 0.000 1.001 274 K CB 0.071 32.235 32.500 -0.560 0.000 0.795 274 K HN 0.172 nan 8.250 nan 0.000 0.495 275 F N 1.150 120.865 119.950 -0.392 0.000 2.446 275 F HA 0.038 4.563 4.527 -0.003 0.000 0.292 275 F C 1.715 177.209 175.800 -0.509 0.000 1.096 275 F CA 0.033 57.706 58.000 -0.545 0.000 1.438 275 F CB 0.001 38.725 39.000 -0.460 0.000 1.107 275 F HN -0.199 nan 8.300 nan 0.000 0.546 276 L N 1.926 122.730 121.223 -0.698 0.000 1.990 276 L HA -0.109 4.229 4.340 -0.003 0.000 0.213 276 L C -0.691 175.882 176.870 -0.496 0.000 1.072 276 L CA 2.406 56.829 54.840 -0.696 0.000 0.755 276 L CB -2.036 39.708 42.059 -0.524 0.000 0.889 276 L HN -0.003 nan 8.230 nan 0.000 0.432 277 P HA -0.252 nan 4.420 nan 0.000 0.216 277 P C 1.430 178.583 177.300 -0.245 0.000 1.153 277 P CA 1.569 64.526 63.100 -0.239 0.000 0.858 277 P CB -0.259 31.344 31.700 -0.162 0.000 0.789 278 Y N 0.165 120.208 120.300 -0.429 0.000 2.145 278 Y HA -0.160 4.388 4.550 -0.003 0.000 0.286 278 Y C 2.110 177.737 175.900 -0.455 0.000 1.145 278 Y CA 1.157 59.023 58.100 -0.390 0.000 1.148 278 Y CB -1.118 37.075 38.460 -0.445 0.000 0.981 278 Y HN -0.223 nan 8.280 nan 0.000 0.507 279 L N 0.579 121.368 121.223 -0.723 0.000 2.042 279 L HA -0.204 4.134 4.340 -0.003 0.000 0.210 279 L C 1.549 178.161 176.870 -0.430 0.000 1.076 279 L CA 2.210 56.638 54.840 -0.687 0.000 0.749 279 L CB -0.733 40.875 42.059 -0.752 0.000 0.893 279 L HN 0.187 nan 8.230 nan 0.000 0.432 280 D N -0.560 119.631 120.400 -0.348 0.000 2.349 280 D HA 0.135 4.773 4.640 -0.003 0.000 0.224 280 D C 1.652 177.816 176.300 -0.227 0.000 1.029 280 D CA 0.959 54.834 54.000 -0.207 0.000 0.879 280 D CB 0.127 40.816 40.800 -0.185 0.000 0.906 280 D HN 0.482 nan 8.370 nan 0.000 0.528 281 G N 1.271 109.877 108.800 -0.324 0.000 2.159 281 G HA2 -0.350 3.608 3.960 -0.003 0.000 0.256 281 G HA3 -0.350 3.608 3.960 -0.003 0.000 0.256 281 G C 0.945 175.735 174.900 -0.183 0.000 0.977 281 G CA 0.402 45.329 45.100 -0.289 0.000 0.652 281 G HN 0.373 nan 8.290 nan 0.000 0.531 282 E N -0.196 119.908 120.200 -0.159 0.000 2.153 282 E HA -0.088 4.260 4.350 -0.003 0.000 0.194 282 E C 2.663 179.217 176.600 -0.077 0.000 0.988 282 E CA 1.694 58.030 56.400 -0.107 0.000 0.811 282 E CB -0.117 29.521 29.700 -0.102 0.000 0.746 282 E HN 0.741 nan 8.360 nan 0.000 0.466 283 T N -0.963 113.552 114.554 -0.065 0.000 3.054 283 T HA -0.052 4.296 4.350 -0.003 0.000 0.259 283 T C 1.073 175.770 174.700 -0.005 0.000 1.092 283 T CA 1.051 63.145 62.100 -0.010 0.000 1.121 283 T CB 0.104 69.008 68.868 0.061 0.000 0.912 283 T HN 0.111 nan 8.240 nan 0.000 0.489 284 D N -0.784 119.592 120.400 -0.041 0.000 2.525 284 D HA 0.238 4.876 4.640 -0.003 0.000 0.231 284 D C 0.519 176.779 176.300 -0.066 0.000 1.216 284 D CA 0.028 54.008 54.000 -0.034 0.000 0.813 284 D CB -0.236 40.553 40.800 -0.018 0.000 1.108 284 D HN 0.220 nan 8.370 nan 0.000 0.524 285 S N -0.999 114.645 115.700 -0.094 0.000 3.482 285 S HA -0.121 4.347 4.470 -0.003 0.000 0.294 285 S C -0.147 174.375 174.600 -0.129 0.000 1.244 285 S CA 1.095 59.239 58.200 -0.093 0.000 0.911 285 S CB -2.002 61.166 63.200 -0.054 0.000 1.070 285 S HN 0.532 nan 8.310 nan 0.000 0.614 286 T N 1.946 116.372 114.554 -0.213 0.000 3.209 286 T HA 0.384 4.732 4.350 -0.003 0.000 0.366 286 T C -2.941 171.461 174.700 -0.497 0.000 1.293 286 T CA -1.146 60.767 62.100 -0.310 0.000 1.417 286 T CB 1.388 70.067 68.868 -0.315 0.000 1.013 286 T HN -0.080 nan 8.240 nan 0.000 0.572 287 P HA 0.047 nan 4.420 nan 0.000 0.261 287 P C 0.055 176.943 177.300 -0.686 0.000 1.183 287 P CA -0.282 62.558 63.100 -0.433 0.000 0.761 287 P CB 0.491 32.035 31.700 -0.261 0.000 0.785 288 K N 2.312 122.239 120.400 -0.787 0.000 2.737 288 K HA 0.107 4.425 4.320 -0.003 0.000 0.251 288 K C 0.744 177.024 176.600 -0.533 0.000 1.280 288 K CA 0.097 55.808 56.287 -0.961 0.000 1.219 288 K CB -1.192 30.745 32.500 -0.940 0.000 1.587 288 K HN 0.487 nan 8.250 nan 0.000 0.279 289 T N -2.985 111.230 114.554 -0.565 0.000 2.766 289 T HA 0.250 4.598 4.350 -0.003 0.000 0.295 289 T C 1.630 176.313 174.700 -0.030 0.000 1.024 289 T CA -0.064 61.728 62.100 -0.514 0.000 1.018 289 T CB 1.221 69.871 68.868 -0.364 0.000 1.002 289 T HN 0.246 nan 8.240 nan 0.000 0.532 290 A N 0.721 123.533 122.820 -0.014 0.000 1.940 290 A HA -0.064 4.254 4.320 -0.003 0.000 0.219 290 A C 2.207 179.786 177.584 -0.007 0.000 1.176 290 A CA 1.792 53.843 52.037 0.023 0.000 0.631 290 A CB -1.059 17.954 19.000 0.022 0.000 0.814 290 A HN 0.935 nan 8.150 nan 0.000 0.446 291 E N -1.417 118.777 120.200 -0.010 0.000 2.106 291 E HA -0.179 4.169 4.350 -0.003 0.000 0.192 291 E C 1.570 178.161 176.600 -0.014 0.000 0.984 291 E CA 1.328 57.715 56.400 -0.022 0.000 0.806 291 E CB -0.329 29.361 29.700 -0.015 0.000 0.750 291 E HN 0.896 nan 8.360 nan 0.000 0.458 292 W N 1.029 122.228 121.300 -0.168 0.000 2.418 292 W HA -0.049 4.609 4.660 -0.003 0.000 0.292 292 W C 2.106 178.506 176.519 -0.198 0.000 1.213 292 W CA 1.669 58.907 57.345 -0.180 0.000 1.283 292 W CB -0.218 29.114 29.460 -0.214 0.000 1.119 292 W HN 0.029 nan 8.180 nan 0.000 0.542 293 A N 0.312 122.974 122.820 -0.263 0.000 1.969 293 A HA -0.210 4.108 4.320 -0.003 0.000 0.218 293 A C 1.958 179.270 177.584 -0.453 0.000 1.169 293 A CA 1.810 53.514 52.037 -0.555 0.000 0.635 293 A CB -1.014 17.892 19.000 -0.155 0.000 0.810 293 A HN 0.555 nan 8.150 nan 0.000 0.445 294 E N -0.280 119.757 120.200 -0.272 0.000 2.077 294 E HA -0.128 4.220 4.350 -0.003 0.000 0.193 294 E C 2.018 178.469 176.600 -0.249 0.000 0.989 294 E CA 1.197 57.471 56.400 -0.211 0.000 0.800 294 E CB -0.488 29.133 29.700 -0.132 0.000 0.746 294 E HN 0.475 nan 8.360 nan 0.000 0.452 295 G N 0.605 109.229 108.800 -0.292 0.000 2.432 295 G HA2 -0.215 3.743 3.960 -0.003 0.000 0.219 295 G HA3 -0.215 3.743 3.960 -0.003 0.000 0.219 295 G C 1.519 176.226 174.900 -0.321 0.000 1.135 295 G CA 0.941 45.880 45.100 -0.268 0.000 0.767 295 G HN 0.266 nan 8.290 nan 0.000 0.550 296 I N 0.979 121.244 120.570 -0.508 0.000 2.429 296 I HA -0.057 4.111 4.170 -0.003 0.000 0.247 296 I C 3.062 178.974 176.117 -0.341 0.000 1.099 296 I CA 1.317 62.328 61.300 -0.482 0.000 1.422 296 I CB 0.018 37.498 38.000 -0.866 0.000 1.112 296 I HN 0.291 nan 8.210 nan 0.000 0.430 297 S N 0.095 115.585 115.700 -0.349 0.000 2.425 297 S HA 0.112 4.580 4.470 -0.003 0.000 0.225 297 S C 1.834 176.341 174.600 -0.155 0.000 1.024 297 S CA 0.722 58.789 58.200 -0.222 0.000 0.951 297 S CB 0.205 63.281 63.200 -0.206 0.000 0.796 297 S HN 0.583 nan 8.310 nan 0.000 0.498 298 G N 0.203 108.906 108.800 -0.162 0.000 2.175 298 G HA2 -0.217 3.741 3.960 -0.003 0.000 0.244 298 G HA3 -0.217 3.741 3.960 -0.003 0.000 0.244 298 G C 0.032 174.864 174.900 -0.113 0.000 0.982 298 G CA -0.003 45.023 45.100 -0.123 0.000 0.641 298 G HN 0.752 nan 8.290 nan 0.000 0.527 299 V N 2.720 122.562 119.914 -0.121 0.000 2.432 299 V HA 0.393 4.511 4.120 -0.003 0.000 0.271 299 V C -1.493 174.541 176.094 -0.100 0.000 1.046 299 V CA -1.397 60.838 62.300 -0.108 0.000 0.945 299 V CB 1.224 32.983 31.823 -0.108 0.000 0.992 299 V HN 0.116 nan 8.190 nan 0.000 0.471 300 P HA 0.001 nan 4.420 nan 0.000 0.261 300 P C 0.733 177.992 177.300 -0.069 0.000 1.173 300 P CA 0.383 63.439 63.100 -0.073 0.000 0.760 300 P CB 0.655 32.317 31.700 -0.063 0.000 0.783 301 A N 4.606 127.389 122.820 -0.062 0.000 1.927 301 A HA -0.263 4.055 4.320 -0.003 0.000 0.220 301 A C 2.023 179.583 177.584 -0.040 0.000 1.185 301 A CA 1.617 53.625 52.037 -0.049 0.000 0.639 301 A CB -0.903 18.073 19.000 -0.039 0.000 0.820 301 A HN 0.502 nan 8.150 nan 0.000 0.451 302 E N -0.813 119.362 120.200 -0.041 0.000 2.204 302 E HA -0.094 4.254 4.350 -0.003 0.000 0.194 302 E C 2.130 178.698 176.600 -0.052 0.000 0.989 302 E CA 1.384 57.761 56.400 -0.038 0.000 0.824 302 E CB -0.445 29.235 29.700 -0.033 0.000 0.756 302 E HN 0.629 nan 8.360 nan 0.000 0.477 303 T N 1.373 115.890 114.554 -0.062 0.000 2.737 303 T HA -0.073 4.275 4.350 -0.003 0.000 0.265 303 T C 2.074 176.715 174.700 -0.099 0.000 1.038 303 T CA 0.799 62.851 62.100 -0.079 0.000 1.144 303 T CB -0.144 68.676 68.868 -0.081 0.000 0.866 303 T HN 0.132 nan 8.240 nan 0.000 0.434 304 I N 0.687 121.208 120.570 -0.082 0.000 2.208 304 I HA -0.219 3.949 4.170 -0.003 0.000 0.245 304 I C 2.529 178.600 176.117 -0.076 0.000 1.097 304 I CA 1.455 62.711 61.300 -0.073 0.000 1.363 304 I CB -0.265 37.715 38.000 -0.033 0.000 1.051 304 I HN 0.215 nan 8.210 nan 0.000 0.413 305 K N 0.445 120.812 120.400 -0.054 0.000 2.097 305 K HA -0.148 4.170 4.320 -0.003 0.000 0.205 305 K C 1.978 178.529 176.600 -0.083 0.000 1.050 305 K CA 1.217 57.477 56.287 -0.043 0.000 0.938 305 K CB -0.073 32.417 32.500 -0.017 0.000 0.718 305 K HN 0.380 nan 8.250 nan 0.000 0.442 306 E N 0.550 120.691 120.200 -0.099 0.000 2.106 306 E HA -0.155 4.193 4.350 -0.003 0.000 0.192 306 E C 1.858 178.334 176.600 -0.206 0.000 0.984 306 E CA 0.592 56.923 56.400 -0.115 0.000 0.806 306 E CB 0.053 29.702 29.700 -0.086 0.000 0.750 306 E HN 0.052 nan 8.360 nan 0.000 0.458 307 L N 0.998 122.043 121.223 -0.297 0.000 2.017 307 L HA -0.144 4.194 4.340 -0.003 0.000 0.208 307 L C 2.345 178.703 176.870 -0.854 0.000 1.073 307 L CA 1.836 56.301 54.840 -0.625 0.000 0.745 307 L CB -1.251 40.467 42.059 -0.568 0.000 0.894 307 L HN 0.053 nan 8.230 nan 0.000 0.432 308 A N -0.512 122.048 122.820 -0.434 0.000 1.865 308 A HA -0.251 4.067 4.320 -0.003 0.000 0.217 308 A C 2.428 179.931 177.584 -0.134 0.000 1.191 308 A CA 1.893 53.793 52.037 -0.227 0.000 0.623 308 A CB -0.496 18.477 19.000 -0.046 0.000 0.826 308 A HN 0.409 nan 8.150 nan 0.000 0.444 309 R N -1.108 119.328 120.500 -0.107 0.000 2.096 309 R HA -0.097 4.241 4.340 -0.003 0.000 0.235 309 R C 2.152 178.437 176.300 -0.025 0.000 1.127 309 R CA 1.396 57.473 56.100 -0.039 0.000 0.968 309 R CB -0.585 29.695 30.300 -0.033 0.000 0.861 309 R HN 0.520 nan 8.270 nan 0.000 0.440 310 L N 0.275 121.448 121.223 -0.084 0.000 2.046 310 L HA -0.118 4.220 4.340 -0.003 0.000 0.208 310 L C 1.792 178.763 176.870 0.168 0.000 1.077 310 L CA 1.713 56.556 54.840 0.005 0.000 0.747 310 L CB -0.377 41.670 42.059 -0.020 0.000 0.896 310 L HN -0.026 nan 8.230 nan 0.000 0.432 311 F N 0.330 120.292 119.950 0.020 0.000 2.171 311 F HA -0.153 4.372 4.527 -0.003 0.000 0.300 311 F C 2.642 178.451 175.800 0.017 0.000 1.090 311 F CA 1.425 59.439 58.000 0.023 0.000 1.293 311 F CB -1.241 37.790 39.000 0.050 0.000 1.013 311 F HN 0.294 nan 8.300 nan 0.000 0.486 312 E N 0.426 120.748 120.200 0.204 0.000 2.208 312 E HA -0.122 4.226 4.350 -0.003 0.000 0.193 312 E C 1.983 178.629 176.600 0.077 0.000 0.988 312 E CA 1.276 57.747 56.400 0.118 0.000 0.828 312 E CB -0.179 29.579 29.700 0.096 0.000 0.763 312 E HN 0.235 nan 8.360 nan 0.000 0.478 313 S N -1.172 114.571 115.700 0.073 0.000 2.556 313 S HA 0.215 4.683 4.470 -0.003 0.000 0.216 313 S C 0.448 175.075 174.600 0.044 0.000 0.970 313 S CA -0.492 57.736 58.200 0.047 0.000 0.912 313 S CB 0.273 63.493 63.200 0.034 0.000 0.790 313 S HN -0.116 nan 8.310 nan 0.000 0.504 314 K N 1.392 121.827 120.400 0.059 0.000 2.395 314 K HA 0.426 4.744 4.320 -0.003 0.000 0.247 314 K C -0.903 175.711 176.600 0.023 0.000 0.973 314 K CA -0.870 55.441 56.287 0.041 0.000 0.828 314 K CB 1.488 34.020 32.500 0.054 0.000 1.272 314 K HN 0.053 nan 8.250 nan 0.000 0.439 315 R N 1.107 121.607 120.500 -0.000 0.000 2.402 315 R HA 0.105 4.443 4.340 -0.003 0.000 0.331 315 R C -0.885 175.386 176.300 -0.048 0.000 1.040 315 R CA 0.654 56.739 56.100 -0.025 0.000 0.980 315 R CB -0.658 29.626 30.300 -0.026 0.000 0.967 315 R HN 0.449 nan 8.270 nan 0.000 0.440 316 T N 5.306 119.817 114.554 -0.071 0.000 2.829 316 T HA 0.412 4.760 4.350 -0.003 0.000 0.280 316 T C -0.733 173.869 174.700 -0.163 0.000 0.999 316 T CA -0.628 61.390 62.100 -0.136 0.000 0.983 316 T CB 1.260 70.027 68.868 -0.168 0.000 0.968 316 T HN 0.477 nan 8.240 nan 0.000 0.446 317 M N 4.194 123.670 119.600 -0.207 0.000 2.167 317 M HA 0.504 4.982 4.480 -0.003 0.000 0.333 317 M C -1.811 174.365 176.300 -0.206 0.000 1.030 317 M CA -1.214 53.972 55.300 -0.190 0.000 0.963 317 M CB 0.198 32.649 32.600 -0.248 0.000 1.589 317 M HN 0.476 nan 8.290 nan 0.000 0.431 318 L N 5.358 126.534 121.223 -0.078 0.000 2.272 318 L HA 0.690 5.028 4.340 -0.003 0.000 0.284 318 L C -0.054 176.888 176.870 0.120 0.000 1.045 318 L CA -0.681 54.157 54.840 -0.003 0.000 0.842 318 L CB 0.811 42.899 42.059 0.048 0.000 1.224 318 L HN 0.877 nan 8.230 nan 0.000 0.430 319 A N 3.352 126.211 122.820 0.064 0.000 2.341 319 A HA 0.766 5.084 4.320 -0.003 0.000 0.326 319 A C 0.220 177.988 177.584 0.307 0.000 1.402 319 A CA -0.340 51.827 52.037 0.216 0.000 0.957 319 A CB 0.471 19.521 19.000 0.084 0.000 1.151 319 A HN 0.701 nan 8.150 nan 0.000 0.533 320 A N 2.472 125.488 122.820 0.326 0.000 2.305 320 A HA 0.768 5.085 4.320 -0.003 0.000 0.322 320 A C 0.745 178.428 177.584 0.166 0.000 1.187 320 A CA 0.101 52.324 52.037 0.309 0.000 0.825 320 A CB 0.676 19.876 19.000 0.334 0.000 1.164 320 A HN 1.276 nan 8.150 nan 0.000 0.498 321 G N -0.207 108.597 108.800 0.007 0.000 2.525 321 G HA2 0.409 4.367 3.960 -0.003 0.000 0.287 321 G HA3 0.409 4.367 3.960 -0.003 0.000 0.287 321 G C -0.021 174.914 174.900 0.058 0.000 1.350 321 G CA -0.255 44.552 45.100 -0.489 0.000 1.039 321 G HN 0.757 nan 8.290 nan 0.000 0.513 322 W N -0.410 120.908 121.300 0.031 0.000 3.008 322 W HA 0.165 4.823 4.660 -0.003 0.000 0.355 322 W C 2.417 179.039 176.519 0.172 0.000 1.095 322 W CA 0.091 57.539 57.345 0.171 0.000 1.738 322 W CB -0.946 28.611 29.460 0.161 0.000 1.091 322 W HN 0.614 nan 8.180 nan 0.000 0.574 323 S N 1.257 117.144 115.700 0.310 0.000 2.382 323 S HA -0.252 4.216 4.470 -0.003 0.000 0.228 323 S C 1.743 176.498 174.600 0.258 0.000 1.027 323 S CA 1.609 59.970 58.200 0.267 0.000 0.991 323 S CB -0.848 62.485 63.200 0.221 0.000 0.823 323 S HN 0.366 nan 8.310 nan 0.000 0.469 324 M N 0.542 120.287 119.600 0.242 0.000 2.659 324 M HA 0.189 4.667 4.480 -0.003 0.000 0.243 324 M C 1.298 177.696 176.300 0.165 0.000 1.111 324 M CA 0.948 56.359 55.300 0.185 0.000 1.070 324 M CB -0.383 32.298 32.600 0.135 0.000 1.525 324 M HN 0.428 nan 8.290 nan 0.000 0.517 325 Q N 0.384 120.326 119.800 0.238 0.000 2.189 325 Q HA 0.235 4.573 4.340 -0.003 0.000 0.223 325 Q C 0.972 177.079 176.000 0.179 0.000 0.828 325 Q CA 0.094 56.026 55.803 0.216 0.000 0.967 325 Q CB -0.019 28.906 28.738 0.312 0.000 1.139 325 Q HN 0.571 nan 8.270 nan 0.000 0.497 326 R N 0.797 121.418 120.500 0.202 0.000 4.394 326 R HA 0.490 4.828 4.340 -0.003 0.000 0.257 326 R C -1.032 175.364 176.300 0.160 0.000 1.727 326 R CA 0.099 56.306 56.100 0.178 0.000 1.497 326 R CB -0.137 30.300 30.300 0.229 0.000 1.406 326 R HN 0.251 nan 8.270 nan 0.000 0.745 327 M N -0.996 118.688 119.600 0.140 0.000 2.644 327 M HA 0.162 4.640 4.480 -0.003 0.000 0.273 327 M C -0.800 175.574 176.300 0.124 0.000 1.253 327 M CA -0.860 54.524 55.300 0.140 0.000 0.852 327 M CB 2.240 34.940 32.600 0.167 0.000 1.708 327 M HN 0.172 nan 8.290 nan 0.000 0.471 328 H N 0.970 120.015 119.070 -0.042 0.000 3.094 328 H HA -0.027 4.527 4.556 -0.003 0.000 0.320 328 H C -0.414 174.800 175.328 -0.190 0.000 1.000 328 H CA 1.606 57.533 56.048 -0.202 0.000 1.413 328 H CB 0.204 29.806 29.762 -0.266 0.000 1.405 328 H HN 0.792 nan 8.280 nan 0.000 0.586 329 H N 0.902 119.912 119.070 -0.101 0.000 2.862 329 H HA -0.175 4.378 4.556 -0.003 0.000 0.290 329 H C 1.594 176.910 175.328 -0.020 0.000 1.211 329 H CA 0.171 56.133 56.048 -0.143 0.000 1.140 329 H CB -1.405 28.182 29.762 -0.292 0.000 1.341 329 H HN 0.915 nan 8.280 nan 0.000 0.392 330 G N 0.536 109.398 108.800 0.103 0.000 2.475 330 G HA2 -0.319 3.639 3.960 -0.003 0.000 0.220 330 G HA3 -0.319 3.639 3.960 -0.003 0.000 0.220 330 G C 1.402 176.381 174.900 0.131 0.000 1.125 330 G CA 1.405 46.575 45.100 0.117 0.000 0.755 330 G HN 0.515 nan 8.290 nan 0.000 0.565 331 E N 0.490 120.766 120.200 0.126 0.000 2.130 331 E HA -0.155 4.193 4.350 -0.003 0.000 0.196 331 E C 2.716 179.455 176.600 0.232 0.000 0.998 331 E CA 1.310 57.795 56.400 0.142 0.000 0.806 331 E CB -0.102 29.668 29.700 0.117 0.000 0.738 331 E HN 0.406 nan 8.360 nan 0.000 0.459 332 Q N -0.107 119.820 119.800 0.211 0.000 2.167 332 Q HA -0.019 4.319 4.340 -0.003 0.000 0.202 332 Q C 2.239 178.312 176.000 0.122 0.000 0.970 332 Q CA 1.242 57.162 55.803 0.195 0.000 0.855 332 Q CB -0.399 28.392 28.738 0.089 0.000 0.911 332 Q HN 0.339 nan 8.270 nan 0.000 0.438 333 A N 1.027 123.880 122.820 0.055 0.000 1.865 333 A HA -0.230 4.088 4.320 -0.003 0.000 0.217 333 A C 1.664 179.092 177.584 -0.259 0.000 1.191 333 A CA 1.951 53.916 52.037 -0.119 0.000 0.623 333 A CB -0.861 18.026 19.000 -0.188 0.000 0.826 333 A HN 0.454 nan 8.150 nan 0.000 0.444 334 H N -3.769 115.319 119.070 0.030 0.000 2.512 334 H HA -0.037 4.517 4.556 -0.003 0.000 0.279 334 H C 1.613 176.947 175.328 0.009 0.000 0.999 334 H CA 0.858 56.893 56.048 -0.023 0.000 1.283 334 H CB -0.039 29.723 29.762 -0.000 0.000 1.421 334 H HN 0.712 nan 8.280 nan 0.000 0.554 335 W N 1.169 122.440 121.300 -0.049 0.000 2.381 335 W HA -0.169 4.489 4.660 -0.003 0.000 0.301 335 W C 2.111 178.543 176.519 -0.144 0.000 1.205 335 W CA 1.238 58.525 57.345 -0.096 0.000 1.285 335 W CB -0.557 28.860 29.460 -0.073 0.000 1.133 335 W HN 0.191 nan 8.180 nan 0.000 0.521 336 M N 0.067 119.679 119.600 0.020 0.000 2.175 336 M HA -0.105 4.373 4.480 -0.003 0.000 0.264 336 M C 2.137 178.354 176.300 -0.138 0.000 1.063 336 M CA 1.552 56.784 55.300 -0.114 0.000 1.119 336 M CB -1.103 31.463 32.600 -0.055 0.000 1.377 336 M HN 0.010 nan 8.290 nan 0.000 0.415 337 L N -0.832 120.275 121.223 -0.194 0.000 2.046 337 L HA -0.143 4.195 4.340 -0.003 0.000 0.208 337 L C 2.038 178.746 176.870 -0.270 0.000 1.077 337 L CA 1.367 56.040 54.840 -0.278 0.000 0.747 337 L CB -0.445 41.414 42.059 -0.333 0.000 0.896 337 L HN 0.165 nan 8.230 nan 0.000 0.432 338 V N -0.868 118.863 119.914 -0.305 0.000 2.358 338 V HA -0.265 3.853 4.120 -0.003 0.000 0.246 338 V C 2.461 178.450 176.094 -0.175 0.000 1.047 338 V CA 2.166 64.219 62.300 -0.410 0.000 1.035 338 V CB -0.737 30.854 31.823 -0.388 0.000 0.658 338 V HN 0.542 nan 8.190 nan 0.000 0.452 339 T N 0.538 115.027 114.554 -0.108 0.000 2.708 339 T HA -0.201 4.147 4.350 -0.003 0.000 0.266 339 T C 1.897 176.572 174.700 -0.043 0.000 1.037 339 T CA 1.903 63.945 62.100 -0.095 0.000 1.146 339 T CB -0.355 68.345 68.868 -0.280 0.000 0.865 339 T HN 0.304 nan 8.240 nan 0.000 0.435 340 L N 1.574 122.772 121.223 -0.042 0.000 2.012 340 L HA 0.020 4.358 4.340 -0.003 0.000 0.210 340 L C 2.649 179.521 176.870 0.004 0.000 1.073 340 L CA 2.035 56.890 54.840 0.026 0.000 0.748 340 L CB -1.123 40.967 42.059 0.053 0.000 0.891 340 L HN 0.233 nan 8.230 nan 0.000 0.431 341 A N -1.354 121.433 122.820 -0.056 0.000 1.917 341 A HA -0.256 4.062 4.320 -0.003 0.000 0.219 341 A C 2.408 179.914 177.584 -0.131 0.000 1.182 341 A CA 2.265 54.262 52.037 -0.065 0.000 0.633 341 A CB -1.110 17.856 19.000 -0.056 0.000 0.819 341 A HN 0.566 nan 8.150 nan 0.000 0.448 342 S N -0.724 114.920 115.700 -0.094 0.000 2.368 342 S HA -0.177 4.291 4.470 -0.003 0.000 0.225 342 S C 1.990 176.534 174.600 -0.092 0.000 1.030 342 S CA 1.860 60.015 58.200 -0.076 0.000 0.999 342 S CB -0.383 62.913 63.200 0.159 0.000 0.844 342 S HN 0.589 nan 8.310 nan 0.000 0.459 343 M N 0.679 120.271 119.600 -0.013 0.000 2.213 343 M HA -0.029 4.449 4.480 -0.003 0.000 0.263 343 M C 1.738 178.067 176.300 0.048 0.000 1.062 343 M CA 1.182 56.510 55.300 0.047 0.000 1.105 343 M CB -0.419 32.217 32.600 0.060 0.000 1.385 343 M HN 0.254 nan 8.290 nan 0.000 0.417 344 L N -0.853 120.358 121.223 -0.021 0.000 2.217 344 L HA 0.009 4.347 4.340 -0.003 0.000 0.211 344 L C 1.478 178.269 176.870 -0.133 0.000 1.107 344 L CA 0.725 55.550 54.840 -0.024 0.000 0.783 344 L CB -0.789 41.270 42.059 0.001 0.000 0.919 344 L HN 0.598 nan 8.230 nan 0.000 0.442 345 G N 0.048 108.626 108.800 -0.369 0.000 2.160 345 G HA2 -0.301 3.657 3.960 -0.003 0.000 0.244 345 G HA3 -0.301 3.657 3.960 -0.003 0.000 0.244 345 G C 0.554 175.167 174.900 -0.478 0.000 1.022 345 G CA 0.395 45.128 45.100 -0.610 0.000 0.741 345 G HN 0.494 nan 8.290 nan 0.000 0.508 346 Q N -0.893 118.669 119.800 -0.398 0.000 2.282 346 Q HA 0.370 4.708 4.340 -0.003 0.000 0.206 346 Q C 1.209 177.075 176.000 -0.222 0.000 0.878 346 Q CA -0.317 55.349 55.803 -0.228 0.000 0.944 346 Q CB 0.805 29.461 28.738 -0.136 0.000 1.100 346 Q HN 0.708 nan 8.270 nan 0.000 0.509 347 I N 1.246 121.608 120.570 -0.346 0.000 2.741 347 I HA -0.077 4.090 4.170 -0.003 0.000 0.288 347 I C 1.159 177.246 176.117 -0.050 0.000 1.192 347 I CA 1.054 62.256 61.300 -0.163 0.000 1.426 347 I CB 0.308 38.239 38.000 -0.116 0.000 1.367 347 I HN 0.451 nan 8.210 nan 0.000 0.563 348 G N 5.102 113.902 108.800 -0.001 0.000 2.157 348 G HA2 -0.239 3.719 3.960 -0.003 0.000 0.248 348 G HA3 -0.239 3.719 3.960 -0.003 0.000 0.248 348 G C -0.130 174.750 174.900 -0.033 0.000 0.979 348 G CA -0.487 44.631 45.100 0.030 0.000 0.650 348 G HN 0.455 nan 8.290 nan 0.000 0.529 349 L N 1.188 122.378 121.223 -0.056 0.000 2.334 349 L HA 0.542 4.880 4.340 -0.003 0.000 0.275 349 L C -1.914 174.917 176.870 -0.064 0.000 1.036 349 L CA -2.535 52.272 54.840 -0.054 0.000 0.807 349 L CB 1.511 43.539 42.059 -0.052 0.000 1.231 349 L HN -0.173 nan 8.230 nan 0.000 0.438 350 P HA 0.077 nan 4.420 nan 0.000 0.261 350 P C 0.730 177.999 177.300 -0.051 0.000 1.203 350 P CA 0.601 63.669 63.100 -0.054 0.000 0.767 350 P CB 0.624 32.303 31.700 -0.033 0.000 0.785 351 G N 2.193 110.955 108.800 -0.063 0.000 2.179 351 G HA2 -0.140 3.818 3.960 -0.003 0.000 0.260 351 G HA3 -0.140 3.818 3.960 -0.003 0.000 0.260 351 G C 0.457 175.305 174.900 -0.086 0.000 0.977 351 G CA -0.128 44.930 45.100 -0.070 0.000 0.641 351 G HN 0.904 nan 8.290 nan 0.000 0.533 352 G N -1.845 106.905 108.800 -0.083 0.000 2.644 352 G HA2 0.911 4.869 3.960 -0.003 0.000 0.307 352 G HA3 0.911 4.869 3.960 -0.003 0.000 0.307 352 G C 0.712 175.558 174.900 -0.089 0.000 1.250 352 G CA 0.923 45.969 45.100 -0.089 0.000 0.996 352 G HN 1.889 nan 8.290 nan 0.000 0.489 353 G N -0.998 107.758 108.800 -0.074 0.000 2.594 353 G HA2 0.414 4.372 3.960 -0.003 0.000 0.217 353 G HA3 0.414 4.372 3.960 -0.003 0.000 0.217 353 G C -0.339 174.617 174.900 0.093 0.000 1.163 353 G CA 0.349 45.436 45.100 -0.023 0.000 1.074 353 G HN 2.121 nan 8.290 nan 0.000 0.589 354 F N -0.796 119.141 119.950 -0.022 0.000 2.662 354 F HA 0.851 5.376 4.527 -0.003 0.000 0.312 354 F C -0.011 175.846 175.800 0.094 0.000 1.113 354 F CA -0.430 57.585 58.000 0.025 0.000 0.951 354 F CB 1.619 40.626 39.000 0.012 0.000 1.344 354 F HN 1.541 nan 8.300 nan 0.000 0.462 355 G N 1.368 110.296 108.800 0.213 0.000 2.740 355 G HA2 0.518 4.476 3.960 -0.003 0.000 0.296 355 G HA3 0.518 4.476 3.960 -0.003 0.000 0.296 355 G C -1.112 173.931 174.900 0.238 0.000 1.439 355 G CA -0.873 44.267 45.100 0.068 0.000 1.066 355 G HN 0.867 nan 8.290 nan 0.000 0.527 356 L N 1.098 122.440 121.223 0.197 0.000 2.667 356 L HA 0.306 4.643 4.340 -0.003 0.000 0.232 356 L C 1.574 178.638 176.870 0.324 0.000 1.138 356 L CA 0.143 55.182 54.840 0.331 0.000 0.921 356 L CB 1.073 43.344 42.059 0.352 0.000 1.180 356 L HN 0.514 nan 8.230 nan 0.000 0.487 357 S N -1.567 114.155 115.700 0.037 0.000 2.941 357 S HA 0.207 4.675 4.470 -0.003 0.000 0.251 357 S C 0.832 175.323 174.600 -0.181 0.000 1.029 357 S CA -0.408 57.754 58.200 -0.062 0.000 1.062 357 S CB 0.102 63.351 63.200 0.082 0.000 0.977 357 S HN 0.252 nan 8.310 nan 0.000 0.552 358 Y N 1.440 121.790 120.300 0.083 0.000 2.509 358 Y HA 0.031 4.579 4.550 -0.003 0.000 0.293 358 Y C 2.346 178.394 175.900 0.247 0.000 1.133 358 Y CA 1.260 59.439 58.100 0.132 0.000 1.283 358 Y CB -0.094 38.454 38.460 0.148 0.000 1.001 358 Y HN 0.630 nan 8.280 nan 0.000 0.555 359 H N -3.358 115.820 119.070 0.179 0.000 2.586 359 H HA 0.105 4.659 4.556 -0.003 0.000 0.273 359 H C -0.660 174.703 175.328 0.058 0.000 0.997 359 H CA -0.086 56.001 56.048 0.065 0.000 1.177 359 H CB -0.480 29.251 29.762 -0.053 0.000 1.471 359 H HN 0.291 nan 8.280 nan 0.000 0.538 360 Y N 1.597 121.541 120.300 -0.594 0.000 2.350 360 Y HA 0.383 4.931 4.550 -0.004 0.000 0.338 360 Y C 0.282 176.244 175.900 0.103 0.000 0.961 360 Y CA -0.784 57.127 58.100 -0.315 0.000 1.100 360 Y CB 1.435 39.563 38.460 -0.553 0.000 1.179 360 Y HN 0.165 nan 8.280 nan 0.000 0.454 361 S N 4.187 119.635 115.700 -0.420 0.000 3.486 361 S HA -0.217 4.251 4.470 -0.003 0.000 0.371 361 S C 1.039 175.717 174.600 0.130 0.000 1.001 361 S CA 1.490 59.546 58.200 -0.240 0.000 1.164 361 S CB -1.778 61.081 63.200 -0.568 0.000 0.911 361 S HN 2.022 nan 8.310 nan 0.000 0.472 362 G N -0.470 108.438 108.800 0.181 0.000 2.143 362 G HA2 -0.130 3.828 3.960 -0.003 0.000 0.248 362 G HA3 -0.130 3.828 3.960 -0.003 0.000 0.248 362 G C 0.394 175.472 174.900 0.297 0.000 0.991 362 G CA 0.162 45.426 45.100 0.274 0.000 0.689 362 G HN 1.625 nan 8.290 nan 0.000 0.522 363 G N -1.063 107.819 108.800 0.137 0.000 2.225 363 G HA2 0.488 4.446 3.960 -0.003 0.000 0.245 363 G HA3 0.488 4.446 3.960 -0.003 0.000 0.245 363 G C 1.455 176.242 174.900 -0.189 0.000 1.249 363 G CA 1.622 46.485 45.100 -0.394 0.000 0.919 363 G HN 1.925 nan 8.290 nan 0.000 0.486 364 G N 1.541 110.200 108.800 -0.235 0.000 2.238 364 G HA2 -0.239 3.719 3.960 -0.003 0.000 0.217 364 G HA3 -0.239 3.719 3.960 -0.003 0.000 0.217 364 G C 0.603 175.611 174.900 0.181 0.000 0.996 364 G CA 0.305 45.309 45.100 -0.159 0.000 0.632 364 G HN 1.084 nan 8.290 nan 0.000 0.503 365 T N 4.338 119.081 114.554 0.315 0.000 2.799 365 T HA 0.474 4.822 4.350 -0.003 0.000 0.296 365 T C -2.137 172.699 174.700 0.226 0.000 0.947 365 T CA -0.364 61.946 62.100 0.349 0.000 1.141 365 T CB 1.407 70.461 68.868 0.311 0.000 0.891 365 T HN 0.129 nan 8.240 nan 0.000 0.533 366 P HA 0.053 nan 4.420 nan 0.000 0.261 366 P C -0.382 176.995 177.300 0.127 0.000 1.173 366 P CA 0.070 63.262 63.100 0.155 0.000 0.760 366 P CB 0.274 32.067 31.700 0.156 0.000 0.783 367 S N 1.554 117.301 115.700 0.079 0.000 2.565 367 S HA 0.319 4.787 4.470 -0.003 0.000 0.276 367 S C 0.904 175.545 174.600 0.069 0.000 1.326 367 S CA -0.434 57.806 58.200 0.065 0.000 1.045 367 S CB 0.162 63.359 63.200 -0.004 0.000 0.918 367 S HN 0.604 nan 8.310 nan 0.000 0.505 368 T N -0.554 114.055 114.554 0.092 0.000 2.793 368 T HA 0.297 4.645 4.350 -0.003 0.000 0.299 368 T C 1.013 175.730 174.700 0.028 0.000 1.038 368 T CA -0.289 61.871 62.100 0.100 0.000 0.948 368 T CB 0.453 69.442 68.868 0.201 0.000 1.231 368 T HN 0.492 nan 8.240 nan 0.000 0.538 369 S N -1.471 114.233 115.700 0.007 0.000 2.554 369 S HA 0.392 4.860 4.470 -0.003 0.000 0.226 369 S C 1.185 175.664 174.600 -0.202 0.000 0.980 369 S CA -0.464 57.696 58.200 -0.067 0.000 0.939 369 S CB -0.471 62.707 63.200 -0.036 0.000 0.832 369 S HN 1.111 nan 8.310 nan 0.000 0.486 370 G N 3.488 112.087 108.800 -0.335 0.000 2.690 370 G HA2 0.414 4.372 3.960 -0.003 0.000 0.239 370 G HA3 0.414 4.372 3.960 -0.003 0.000 0.239 370 G C -2.295 172.180 174.900 -0.707 0.000 1.233 370 G CA -0.924 43.543 45.100 -1.054 0.000 0.847 370 G HN 0.264 nan 8.290 nan 0.000 0.588 371 P HA 0.407 nan 4.420 nan 0.000 0.277 371 P C -0.446 176.699 177.300 -0.258 0.000 1.271 371 P CA -0.287 62.580 63.100 -0.389 0.000 0.795 371 P CB 1.025 32.526 31.700 -0.330 0.000 1.101 372 A N 0.803 123.529 122.820 -0.158 0.000 2.310 372 A HA 0.492 4.810 4.320 -0.003 0.000 0.299 372 A C -0.573 176.965 177.584 -0.076 0.000 1.147 372 A CA -0.476 51.503 52.037 -0.096 0.000 0.818 372 A CB -0.128 18.821 19.000 -0.085 0.000 1.096 372 A HN 0.527 nan 8.150 nan 0.000 0.495 373 L N 2.188 123.382 121.223 -0.048 0.000 2.295 373 L HA 0.735 5.072 4.340 -0.003 0.000 0.285 373 L C 0.344 177.162 176.870 -0.086 0.000 1.035 373 L CA 0.164 54.980 54.840 -0.040 0.000 0.806 373 L CB 1.135 43.196 42.059 0.003 0.000 1.214 373 L HN 0.868 nan 8.230 nan 0.000 0.426 374 A N 2.974 125.730 122.820 -0.106 0.000 2.282 374 A HA 0.990 5.308 4.320 -0.003 0.000 0.324 374 A C -0.091 177.188 177.584 -0.508 0.000 1.119 374 A CA 0.084 52.004 52.037 -0.195 0.000 0.880 374 A CB 1.169 20.106 19.000 -0.105 0.000 1.294 374 A HN 0.949 nan 8.150 nan 0.000 0.493 375 G N -1.252 107.144 108.800 -0.672 0.000 2.749 375 G HA2 0.499 4.457 3.960 -0.003 0.000 0.300 375 G HA3 0.499 4.457 3.960 -0.003 0.000 0.300 375 G C -0.899 173.540 174.900 -0.767 0.000 1.352 375 G CA -0.658 43.657 45.100 -1.310 0.000 0.789 375 G HN 0.912 nan 8.290 nan 0.000 0.509 376 I N 1.114 121.303 120.570 -0.635 0.000 2.815 376 I HA 0.328 4.496 4.170 -0.003 0.000 0.291 376 I C 1.176 177.125 176.117 -0.280 0.000 1.209 376 I CA 0.331 61.414 61.300 -0.361 0.000 1.431 376 I CB 0.960 38.660 38.000 -0.500 0.000 1.351 376 I HN 0.716 nan 8.210 nan 0.000 0.585 377 T N 1.358 115.787 114.554 -0.208 0.000 2.938 377 T HA 0.358 4.706 4.350 -0.003 0.000 0.285 377 T C 0.286 174.884 174.700 -0.170 0.000 1.028 377 T CA -0.282 61.725 62.100 -0.155 0.000 1.005 377 T CB 1.490 70.305 68.868 -0.087 0.000 1.157 377 T HN 0.641 nan 8.240 nan 0.000 0.550 378 D N -1.513 118.809 120.400 -0.130 0.000 2.349 378 D HA 0.261 4.899 4.640 -0.003 0.000 0.215 378 D C 1.681 177.937 176.300 -0.074 0.000 1.016 378 D CA 0.513 54.439 54.000 -0.124 0.000 0.870 378 D CB -0.542 40.198 40.800 -0.099 0.000 0.917 378 D HN 1.147 nan 8.370 nan 0.000 0.524 379 G N -0.184 108.582 108.800 -0.057 0.000 2.234 379 G HA2 -0.316 3.642 3.960 -0.003 0.000 0.260 379 G HA3 -0.316 3.642 3.960 -0.003 0.000 0.260 379 G C 1.386 176.281 174.900 -0.008 0.000 0.987 379 G CA 0.397 45.482 45.100 -0.025 0.000 0.625 379 G HN 0.670 nan 8.290 nan 0.000 0.532 380 G N 0.843 109.640 108.800 -0.005 0.000 2.507 380 G HA2 0.126 4.084 3.960 -0.003 0.000 0.221 380 G HA3 0.126 4.084 3.960 -0.003 0.000 0.221 380 G C 1.833 176.724 174.900 -0.015 0.000 1.119 380 G CA 2.419 47.516 45.100 -0.004 0.000 0.751 380 G HN 1.723 nan 8.290 nan 0.000 0.574 381 A N -0.204 122.605 122.820 -0.019 0.000 2.206 381 A HA 0.591 4.909 4.320 -0.003 0.000 0.211 381 A C 1.746 179.323 177.584 -0.011 0.000 1.158 381 A CA 1.464 53.489 52.037 -0.019 0.000 0.761 381 A CB -0.006 18.980 19.000 -0.023 0.000 0.801 381 A HN 1.011 nan 8.150 nan 0.000 0.473 382 A N -0.327 122.490 122.820 -0.005 0.000 2.992 382 A HA 0.522 4.840 4.320 -0.003 0.000 0.263 382 A C 0.725 178.312 177.584 0.006 0.000 0.928 382 A CA 0.486 52.524 52.037 0.001 0.000 1.061 382 A CB -0.460 18.543 19.000 0.004 0.000 1.173 382 A HN 0.439 nan 8.150 nan 0.000 0.482 383 T N -2.833 111.724 114.554 0.005 0.000 1.654 383 T HA 0.603 4.951 4.350 -0.003 0.000 0.183 383 T C 0.272 174.978 174.700 0.011 0.000 0.710 383 T CA 0.018 62.126 62.100 0.012 0.000 1.182 383 T CB 0.762 69.639 68.868 0.016 0.000 3.311 383 T HN 0.087 nan 8.240 nan 0.000 0.424 384 K N 0.841 121.249 120.400 0.013 0.000 2.326 384 K HA 0.076 4.394 4.320 -0.003 0.000 0.120 384 K C 0.678 177.292 176.600 0.025 0.000 1.629 384 K CA 0.325 56.621 56.287 0.015 0.000 0.502 384 K CB -0.842 31.666 32.500 0.014 0.000 2.199 384 K HN 0.844 nan 8.250 nan 0.000 0.458 385 G N 1.933 110.746 108.800 0.022 0.000 2.045 385 G HA2 -0.021 3.937 3.960 -0.003 0.000 0.747 385 G HA3 -0.021 3.937 3.960 -0.003 0.000 0.747 385 G C -1.989 172.954 174.900 0.071 0.000 1.330 385 G CA -0.189 44.933 45.100 0.037 0.000 1.150 385 G HN 0.159 nan 8.290 nan 0.000 0.592 386 P HA 0.201 nan 4.420 nan 0.000 0.269 386 P C -0.451 176.957 177.300 0.181 0.000 1.215 386 P CA 0.006 63.212 63.100 0.176 0.000 0.780 386 P CB 0.604 32.512 31.700 0.347 0.000 0.898 387 E N 1.162 121.425 120.200 0.106 0.000 2.001 387 E HA 0.104 4.452 4.350 -0.003 0.000 0.279 387 E C -0.876 175.787 176.600 0.106 0.000 1.045 387 E CA -0.169 56.286 56.400 0.092 0.000 0.833 387 E CB 0.454 30.175 29.700 0.035 0.000 1.077 387 E HN 0.443 nan 8.360 nan 0.000 0.397 388 W N 4.782 126.071 121.300 -0.019 0.000 2.647 388 W HA 0.548 5.206 4.660 -0.004 0.000 0.353 388 W C -0.841 175.670 176.519 -0.013 0.000 1.080 388 W CA -0.670 56.664 57.345 -0.017 0.000 1.208 388 W CB 1.486 30.929 29.460 -0.029 0.000 1.396 388 W HN 0.420 nan 8.180 nan 0.000 0.573 389 L N 1.116 122.502 121.223 0.272 0.000 2.731 389 L HA 0.700 5.038 4.340 -0.003 0.000 0.256 389 L C -0.546 176.424 176.870 0.166 0.000 0.947 389 L CA -0.978 53.974 54.840 0.186 0.000 0.914 389 L CB 0.466 42.569 42.059 0.074 0.000 1.470 389 L HN 0.466 nan 8.230 nan 0.000 0.421 390 A N 2.189 125.088 122.820 0.131 0.000 2.614 390 A HA 0.496 4.814 4.320 -0.003 0.000 0.231 390 A C 0.977 178.596 177.584 0.058 0.000 1.076 390 A CA 1.121 53.214 52.037 0.093 0.000 0.767 390 A CB -0.818 18.209 19.000 0.045 0.000 1.012 390 A HN 2.809 nan 8.150 nan 0.000 0.512 391 A N 0.490 123.340 122.820 0.051 0.000 2.435 391 A HA 0.434 4.752 4.320 -0.003 0.000 0.686 391 A C 1.242 178.834 177.584 0.013 0.000 0.138 391 A CA 0.519 52.571 52.037 0.025 0.000 0.024 391 A CB -1.873 17.131 19.000 0.006 0.000 3.974 391 A HN 2.941 nan 8.150 nan 0.000 0.548 392 S N -0.654 115.050 115.700 0.006 0.000 2.260 392 S HA 0.156 4.624 4.470 -0.003 0.000 0.243 392 S C 1.860 176.520 174.600 0.100 0.000 1.065 392 S CA 2.192 60.377 58.200 -0.026 0.000 2.199 392 S CB -2.088 60.981 63.200 -0.219 0.000 1.307 392 S HN 3.418 nan 8.310 nan 0.000 0.497 393 G N 1.735 110.632 108.800 0.163 0.000 2.298 393 G HA2 0.497 4.455 3.960 -0.003 0.000 0.309 393 G HA3 0.497 4.455 3.960 -0.003 0.000 0.309 393 G C -0.327 174.864 174.900 0.485 0.000 1.279 393 G CA 0.213 45.477 45.100 0.272 0.000 1.042 393 G HN 1.856 nan 8.290 nan 0.000 0.480 394 A N -0.380 122.635 122.820 0.325 0.000 2.483 394 A HA 0.582 4.900 4.320 -0.003 0.000 0.238 394 A C 1.659 179.352 177.584 0.181 0.000 1.070 394 A CA 1.365 53.531 52.037 0.214 0.000 0.770 394 A CB 0.274 19.374 19.000 0.166 0.000 1.008 394 A HN 2.287 nan 8.150 nan 0.000 0.497 395 S N 0.284 115.794 115.700 -0.317 0.000 2.548 395 S HA 0.315 4.783 4.470 -0.003 0.000 0.215 395 S C 0.147 174.539 174.600 -0.348 0.000 0.976 395 S CA 0.384 58.137 58.200 -0.746 0.000 0.908 395 S CB -0.240 61.885 63.200 -1.793 0.000 0.781 395 S HN 0.680 nan 8.310 nan 0.000 0.519 396 V N 2.588 122.405 119.914 -0.162 0.000 2.733 396 V HA 0.593 4.711 4.120 -0.003 0.000 0.306 396 V C -0.624 175.478 176.094 0.013 0.000 1.084 396 V CA -1.063 61.187 62.300 -0.082 0.000 0.905 396 V CB 1.643 33.385 31.823 -0.135 0.000 1.010 396 V HN 0.515 nan 8.190 nan 0.000 0.424 397 I N 2.062 122.648 120.570 0.026 0.000 2.740 397 I HA 0.812 4.980 4.170 -0.003 0.000 0.303 397 I C -2.843 173.184 176.117 -0.151 0.000 1.044 397 I CA -2.859 58.409 61.300 -0.054 0.000 1.064 397 I CB 2.358 40.348 38.000 -0.018 0.000 1.249 397 I HN 0.345 nan 8.210 nan 0.000 0.433 398 P HA 0.029 nan 4.420 nan 0.000 0.267 398 P C 1.235 178.437 177.300 -0.163 0.000 1.205 398 P CA -0.398 62.529 63.100 -0.289 0.000 0.765 398 P CB 0.901 32.403 31.700 -0.331 0.000 0.828 399 V N 2.308 122.148 119.914 -0.123 0.000 2.277 399 V HA -0.334 3.784 4.120 -0.003 0.000 0.253 399 V C 1.909 177.931 176.094 -0.119 0.000 1.067 399 V CA 2.316 64.581 62.300 -0.059 0.000 1.047 399 V CB -2.247 29.510 31.823 -0.110 0.000 0.649 399 V HN 0.517 nan 8.190 nan 0.000 0.447 400 A N 0.078 122.715 122.820 -0.306 0.000 2.209 400 A HA 0.043 4.361 4.320 -0.003 0.000 0.212 400 A C 1.951 179.527 177.584 -0.013 0.000 1.158 400 A CA 0.714 52.638 52.037 -0.189 0.000 0.742 400 A CB -0.448 18.332 19.000 -0.366 0.000 0.790 400 A HN 0.596 nan 8.150 nan 0.000 0.472 401 R N -0.330 120.108 120.500 -0.104 0.000 2.480 401 R HA 0.107 4.445 4.340 -0.003 0.000 0.277 401 R C 1.366 177.509 176.300 -0.263 0.000 1.008 401 R CA 0.447 56.462 56.100 -0.141 0.000 1.090 401 R CB -0.799 29.416 30.300 -0.141 0.000 1.234 401 R HN 0.379 nan 8.270 nan 0.000 0.549 402 V N 0.366 120.123 119.914 -0.261 0.000 2.343 402 V HA -0.206 3.912 4.120 -0.003 0.000 0.247 402 V C 1.903 177.758 176.094 -0.398 0.000 1.051 402 V CA 1.743 63.803 62.300 -0.400 0.000 1.036 402 V CB 0.058 31.679 31.823 -0.338 0.000 0.654 402 V HN 0.102 nan 8.190 nan 0.000 0.451 403 V N 0.254 119.999 119.914 -0.281 0.000 2.453 403 V HA -0.140 3.978 4.120 -0.003 0.000 0.247 403 V C 2.396 178.328 176.094 -0.271 0.000 1.048 403 V CA 2.106 64.288 62.300 -0.196 0.000 1.049 403 V CB -0.775 31.026 31.823 -0.035 0.000 0.672 403 V HN 0.556 nan 8.190 nan 0.000 0.457 404 D N -0.205 120.011 120.400 -0.308 0.000 2.133 404 D HA -0.248 4.390 4.640 -0.003 0.000 0.195 404 D C 2.064 177.863 176.300 -0.835 0.000 0.997 404 D CA 1.840 55.592 54.000 -0.412 0.000 0.840 404 D CB -0.244 40.373 40.800 -0.305 0.000 0.947 404 D HN 0.400 nan 8.370 nan 0.000 0.452 405 M N 0.188 119.076 119.600 -1.186 0.000 2.065 405 M HA -0.183 4.295 4.480 -0.003 0.000 0.259 405 M C 2.145 178.070 176.300 -0.625 0.000 1.069 405 M CA 1.341 55.843 55.300 -1.331 0.000 1.110 405 M CB -0.120 31.974 32.600 -0.845 0.000 1.328 405 M HN -0.018 nan 8.290 nan 0.000 0.405 406 L N -0.022 120.917 121.223 -0.472 0.000 2.042 406 L HA -0.239 4.099 4.340 -0.003 0.000 0.210 406 L C 2.319 179.045 176.870 -0.241 0.000 1.076 406 L CA 1.660 56.300 54.840 -0.333 0.000 0.749 406 L CB -0.718 41.141 42.059 -0.334 0.000 0.893 406 L HN 0.426 nan 8.230 nan 0.000 0.432 407 E N -0.264 119.797 120.200 -0.232 0.000 2.208 407 E HA -0.062 4.286 4.350 -0.003 0.000 0.193 407 E C 0.221 176.752 176.600 -0.114 0.000 0.988 407 E CA 0.508 56.821 56.400 -0.146 0.000 0.828 407 E CB 0.218 29.845 29.700 -0.122 0.000 0.763 407 E HN 0.481 nan 8.360 nan 0.000 0.478 408 N N 1.325 119.932 118.700 -0.156 0.000 2.765 408 N HA 0.195 4.933 4.740 -0.003 0.000 0.277 408 N C -2.798 172.750 175.510 0.064 0.000 1.750 408 N CA -1.086 51.952 53.050 -0.020 0.000 0.827 408 N CB 1.402 39.930 38.487 0.068 0.000 1.200 408 N HN -0.027 nan 8.380 nan 0.000 0.494 409 P HA 0.115 nan 4.420 nan 0.000 0.267 409 P C 1.125 178.504 177.300 0.132 0.000 1.209 409 P CA 0.851 63.998 63.100 0.078 0.000 0.763 409 P CB 0.683 32.390 31.700 0.011 0.000 0.816 410 G N 2.012 110.926 108.800 0.190 0.000 2.241 410 G HA2 -0.212 3.746 3.960 -0.003 0.000 0.244 410 G HA3 -0.212 3.746 3.960 -0.003 0.000 0.244 410 G C 0.491 175.486 174.900 0.158 0.000 0.998 410 G CA 0.049 45.238 45.100 0.148 0.000 0.621 410 G HN 0.850 nan 8.290 nan 0.000 0.519 411 A N 0.330 123.293 122.820 0.237 0.000 2.406 411 A HA 0.581 4.899 4.320 -0.003 0.000 0.243 411 A C 0.473 178.129 177.584 0.120 0.000 1.082 411 A CA 0.470 52.632 52.037 0.209 0.000 0.786 411 A CB 0.266 19.442 19.000 0.294 0.000 1.029 411 A HN 0.496 nan 8.150 nan 0.000 0.495 412 E N -0.595 119.628 120.200 0.038 0.000 2.283 412 E HA 0.548 4.896 4.350 -0.003 0.000 0.271 412 E C -1.085 175.466 176.600 -0.082 0.000 1.031 412 E CA -0.047 56.297 56.400 -0.094 0.000 0.868 412 E CB 1.209 30.860 29.700 -0.083 0.000 1.094 412 E HN 0.545 nan 8.360 nan 0.000 0.401 413 F N -1.111 118.658 119.950 -0.300 0.000 2.613 413 F HA 0.487 5.012 4.527 -0.004 0.000 0.310 413 F C -0.832 174.894 175.800 -0.123 0.000 1.085 413 F CA -1.186 56.664 58.000 -0.250 0.000 0.945 413 F CB 1.219 39.953 39.000 -0.443 0.000 1.298 413 F HN 0.117 nan 8.300 nan 0.000 0.455 414 D N 1.499 121.930 120.400 0.050 0.000 2.229 414 D HA 0.488 5.126 4.640 -0.003 0.000 0.249 414 D C -1.681 174.750 176.300 0.218 0.000 1.027 414 D CA 0.099 54.106 54.000 0.011 0.000 0.923 414 D CB 2.572 43.322 40.800 -0.083 0.000 1.174 414 D HN 0.611 nan 8.370 nan 0.000 0.443 415 F N 1.853 121.805 119.950 0.003 0.000 2.767 415 F HA 0.108 4.633 4.527 -0.004 0.000 0.341 415 F C -0.234 175.617 175.800 0.085 0.000 1.192 415 F CA -0.749 57.289 58.000 0.063 0.000 1.127 415 F CB 0.522 39.614 39.000 0.153 0.000 1.388 415 F HN 0.214 nan 8.300 nan 0.000 0.574 416 N N 4.182 122.558 118.700 -0.539 0.000 2.714 416 N HA -0.171 4.567 4.740 -0.003 0.000 0.252 416 N C 0.885 176.362 175.510 -0.055 0.000 1.014 416 N CA 2.256 55.096 53.050 -0.349 0.000 0.735 416 N CB -0.888 37.223 38.487 -0.626 0.000 0.924 416 N HN 1.768 nan 8.380 nan 0.000 0.540 417 G N -2.543 106.315 108.800 0.097 0.000 2.175 417 G HA2 -0.273 3.685 3.960 -0.003 0.000 0.244 417 G HA3 -0.273 3.685 3.960 -0.003 0.000 0.244 417 G C 0.202 175.120 174.900 0.030 0.000 0.982 417 G CA 1.205 46.314 45.100 0.015 0.000 0.641 417 G HN 1.399 nan 8.290 nan 0.000 0.527 418 T N -2.319 112.269 114.554 0.057 0.000 2.942 418 T HA 0.791 5.139 4.350 -0.003 0.000 0.289 418 T C -0.380 174.298 174.700 -0.036 0.000 1.044 418 T CA -0.830 61.276 62.100 0.010 0.000 1.023 418 T CB 2.677 71.552 68.868 0.011 0.000 1.123 418 T HN 0.297 nan 8.240 nan 0.000 0.512 419 R N 1.086 121.520 120.500 -0.110 0.000 2.480 419 R HA 0.693 5.031 4.340 -0.003 0.000 0.306 419 R C -0.963 175.136 176.300 -0.334 0.000 0.958 419 R CA -0.544 55.425 56.100 -0.219 0.000 0.861 419 R CB 2.222 32.442 30.300 -0.133 0.000 1.171 419 R HN 0.863 nan 8.270 nan 0.000 0.445 420 S N 1.604 116.909 115.700 -0.658 0.000 2.697 420 S HA 0.529 4.997 4.470 -0.003 0.000 0.289 420 S C -0.933 173.306 174.600 -0.602 0.000 1.149 420 S CA -0.928 56.915 58.200 -0.595 0.000 0.850 420 S CB 2.482 65.316 63.200 -0.609 0.000 1.151 420 S HN 0.349 nan 8.310 nan 0.000 0.491 421 K N 0.319 120.577 120.400 -0.237 0.000 2.156 421 K HA 0.521 4.839 4.320 -0.003 0.000 0.250 421 K C -1.349 175.339 176.600 0.148 0.000 0.955 421 K CA -0.528 55.723 56.287 -0.061 0.000 0.855 421 K CB 0.843 33.360 32.500 0.028 0.000 1.101 421 K HN 0.357 nan 8.250 nan 0.000 0.434 422 F N 3.495 123.622 119.950 0.294 0.000 2.427 422 F HA 0.186 4.711 4.527 -0.004 0.000 0.352 422 F C -1.581 174.305 175.800 0.143 0.000 1.100 422 F CA -2.063 56.068 58.000 0.218 0.000 1.191 422 F CB 0.217 39.279 39.000 0.103 0.000 1.128 422 F HN 0.322 nan 8.300 nan 0.000 0.533 423 P HA 0.032 nan 4.420 nan 0.000 0.274 423 P C -0.737 176.647 177.300 0.141 0.000 1.256 423 P CA -0.316 62.931 63.100 0.245 0.000 0.795 423 P CB 0.867 32.749 31.700 0.305 0.000 1.038 424 D N 0.837 121.280 120.400 0.073 0.000 2.518 424 D HA 0.191 4.829 4.640 -0.003 0.000 0.230 424 D C -0.516 175.738 176.300 -0.076 0.000 1.138 424 D CA -0.483 53.509 54.000 -0.014 0.000 0.964 424 D CB -0.463 40.327 40.800 -0.018 0.000 1.011 424 D HN -0.108 nan 8.370 nan 0.000 0.517 425 V N 4.197 124.067 119.914 -0.074 0.000 2.637 425 V HA 0.097 4.215 4.120 -0.003 0.000 0.296 425 V C 1.433 177.420 176.094 -0.177 0.000 1.046 425 V CA 0.199 62.453 62.300 -0.077 0.000 1.066 425 V CB 1.464 33.251 31.823 -0.059 0.000 0.968 425 V HN 0.364 nan 8.190 nan 0.000 0.483 426 K N 3.297 123.591 120.400 -0.176 0.000 2.425 426 K HA 0.374 4.692 4.320 -0.003 0.000 0.201 426 K C -0.035 176.525 176.600 -0.068 0.000 1.128 426 K CA 0.295 56.444 56.287 -0.230 0.000 1.000 426 K CB 0.836 33.032 32.500 -0.506 0.000 0.961 426 K HN 0.687 nan 8.250 nan 0.000 0.555 427 M N 0.229 119.841 119.600 0.020 0.000 2.446 427 M HA 0.554 5.032 4.480 -0.003 0.000 0.294 427 M C -1.981 174.428 176.300 0.182 0.000 1.158 427 M CA -0.642 54.727 55.300 0.114 0.000 0.899 427 M CB 2.446 35.151 32.600 0.177 0.000 1.687 427 M HN -0.045 nan 8.290 nan 0.000 0.455 428 A N 3.181 126.161 122.820 0.265 0.000 2.356 428 A HA 0.709 5.027 4.320 -0.003 0.000 0.310 428 A C -2.382 175.552 177.584 0.583 0.000 1.075 428 A CA -0.388 51.921 52.037 0.453 0.000 0.746 428 A CB 1.183 20.455 19.000 0.453 0.000 1.221 428 A HN 0.797 nan 8.150 nan 0.000 0.443 429 Y N 2.408 122.916 120.300 0.347 0.000 2.328 429 Y HA 0.530 5.078 4.550 -0.003 0.000 0.333 429 Y C -1.217 174.814 175.900 0.218 0.000 0.958 429 Y CA -1.388 56.850 58.100 0.230 0.000 1.167 429 Y CB 0.983 39.498 38.460 0.092 0.000 1.151 429 Y HN 0.694 nan 8.280 nan 0.000 0.470 430 W N 7.994 129.536 121.300 0.403 0.000 2.600 430 W HA 0.634 5.292 4.660 -0.003 0.000 0.325 430 W C -1.414 175.214 176.519 0.182 0.000 1.034 430 W CA -0.849 56.688 57.345 0.321 0.000 1.226 430 W CB 1.749 31.469 29.460 0.433 0.000 1.379 430 W HN 0.412 nan 8.180 nan 0.000 0.466 431 V N 1.701 121.818 119.914 0.339 0.000 2.789 431 V HA 0.866 4.984 4.120 -0.003 0.000 0.311 431 V C 0.506 176.771 176.094 0.285 0.000 1.073 431 V CA -0.259 62.185 62.300 0.239 0.000 0.921 431 V CB 1.241 33.137 31.823 0.121 0.000 1.009 431 V HN 1.025 nan 8.190 nan 0.000 0.426 432 G N 1.707 110.656 108.800 0.248 0.000 2.258 432 G HA2 0.136 4.094 3.960 -0.003 0.000 0.274 432 G HA3 0.136 4.094 3.960 -0.003 0.000 0.274 432 G C 0.566 175.660 174.900 0.324 0.000 1.021 432 G CA 0.694 45.934 45.100 0.234 0.000 0.798 432 G HN 2.169 nan 8.290 nan 0.000 0.507 433 G N -1.320 107.747 108.800 0.445 0.000 2.694 433 G HA2 0.564 4.522 3.960 -0.003 0.000 0.290 433 G HA3 0.564 4.522 3.960 -0.003 0.000 0.290 433 G C -0.950 174.098 174.900 0.247 0.000 1.386 433 G CA -0.322 45.097 45.100 0.531 0.000 0.872 433 G HN 0.523 nan 8.290 nan 0.000 0.475 434 N N 0.630 119.425 118.700 0.158 0.000 2.752 434 N HA 0.340 5.078 4.740 -0.003 0.000 0.260 434 N C -1.681 173.462 175.510 -0.612 0.000 1.562 434 N CA -1.872 51.085 53.050 -0.155 0.000 0.788 434 N CB 2.080 40.546 38.487 -0.035 0.000 1.192 434 N HN 0.106 nan 8.380 nan 0.000 0.503 435 P HA -0.074 nan 4.420 nan 0.000 0.219 435 P C 0.827 177.526 177.300 -1.002 0.000 1.146 435 P CA 0.874 63.052 63.100 -1.536 0.000 0.808 435 P CB -0.026 30.779 31.700 -1.490 0.000 0.779 436 F N -1.027 118.480 119.950 -0.739 0.000 2.795 436 F HA 0.004 4.529 4.527 -0.004 0.000 0.303 436 F C 1.911 177.473 175.800 -0.397 0.000 1.186 436 F CA 0.526 58.165 58.000 -0.601 0.000 1.415 436 F CB -0.162 38.494 39.000 -0.574 0.000 1.106 436 F HN -0.227 nan 8.300 nan 0.000 0.558 437 V N -1.884 117.892 119.914 -0.230 0.000 3.165 437 V HA -0.099 4.019 4.120 -0.003 0.000 0.231 437 V C 2.109 178.156 176.094 -0.079 0.000 1.365 437 V CA 0.684 62.938 62.300 -0.076 0.000 1.286 437 V CB -0.296 31.566 31.823 0.065 0.000 1.081 437 V HN 0.397 nan 8.190 nan 0.000 0.477 438 H N -0.358 118.628 119.070 -0.140 0.000 2.502 438 H HA 0.024 4.578 4.556 -0.003 0.000 0.283 438 H C 1.020 176.203 175.328 -0.242 0.000 1.015 438 H CA 0.592 56.512 56.048 -0.214 0.000 1.298 438 H CB 0.196 29.785 29.762 -0.289 0.000 1.411 438 H HN 0.510 nan 8.280 nan 0.000 0.556 439 H N 1.345 120.301 119.070 -0.189 0.000 2.481 439 H HA 0.205 4.759 4.556 -0.003 0.000 0.339 439 H C -0.382 174.877 175.328 -0.116 0.000 1.131 439 H CA -0.519 55.485 56.048 -0.072 0.000 1.301 439 H CB 1.197 30.856 29.762 -0.170 0.000 1.476 439 H HN 0.202 nan 8.280 nan 0.000 0.529 440 Q N 1.488 120.844 119.800 -0.741 0.000 2.354 440 Q HA 0.171 4.509 4.340 -0.003 0.000 0.244 440 Q C -0.451 175.332 176.000 -0.362 0.000 0.969 440 Q CA 0.007 55.538 55.803 -0.453 0.000 0.885 440 Q CB 0.416 28.930 28.738 -0.373 0.000 1.241 440 Q HN 0.746 nan 8.270 nan 0.000 0.461 441 D N 0.410 120.673 120.400 -0.229 0.000 3.082 441 D HA -0.196 4.442 4.640 -0.003 0.000 0.234 441 D C 0.563 176.748 176.300 -0.193 0.000 1.159 441 D CA 0.303 54.199 54.000 -0.174 0.000 0.875 441 D CB -0.187 40.532 40.800 -0.135 0.000 0.946 441 D HN 0.645 nan 8.370 nan 0.000 0.411 442 R N 1.859 122.210 120.500 -0.248 0.000 2.096 442 R HA -0.130 4.208 4.340 -0.003 0.000 0.240 442 R C 1.925 178.079 176.300 -0.243 0.000 1.139 442 R CA 2.272 58.163 56.100 -0.349 0.000 0.952 442 R CB -0.200 29.767 30.300 -0.555 0.000 0.854 442 R HN 0.413 nan 8.270 nan 0.000 0.436 443 N N 0.196 118.812 118.700 -0.140 0.000 2.120 443 N HA -0.199 4.539 4.740 -0.003 0.000 0.188 443 N C 1.755 177.236 175.510 -0.047 0.000 1.024 443 N CA 1.442 54.458 53.050 -0.056 0.000 0.852 443 N CB -0.356 38.121 38.487 -0.018 0.000 1.003 443 N HN 0.316 nan 8.380 nan 0.000 0.424 444 R N 1.108 121.571 120.500 -0.062 0.000 2.073 444 R HA -0.053 4.285 4.340 -0.003 0.000 0.234 444 R C 2.316 178.591 176.300 -0.042 0.000 1.134 444 R CA 1.316 57.390 56.100 -0.043 0.000 0.952 444 R CB -0.230 30.043 30.300 -0.045 0.000 0.850 444 R HN 0.214 nan 8.270 nan 0.000 0.433 445 M N 0.203 119.748 119.600 -0.092 0.000 2.254 445 M HA -0.085 4.393 4.480 -0.003 0.000 0.265 445 M C 1.565 177.789 176.300 -0.125 0.000 1.066 445 M CA 1.374 56.599 55.300 -0.125 0.000 1.123 445 M CB 0.201 32.634 32.600 -0.279 0.000 1.388 445 M HN 0.083 nan 8.290 nan 0.000 0.425 446 V N 1.449 121.296 119.914 -0.111 0.000 2.343 446 V HA -0.248 3.870 4.120 -0.003 0.000 0.247 446 V C 2.455 178.615 176.094 0.110 0.000 1.051 446 V CA 2.164 64.478 62.300 0.024 0.000 1.036 446 V CB -0.782 31.090 31.823 0.082 0.000 0.654 446 V HN 0.526 nan 8.190 nan 0.000 0.451 447 K N 1.081 121.524 120.400 0.070 0.000 2.103 447 K HA 0.036 4.354 4.320 -0.003 0.000 0.204 447 K C 1.979 178.629 176.600 0.083 0.000 1.052 447 K CA 1.565 57.898 56.287 0.076 0.000 0.945 447 K CB -0.563 31.962 32.500 0.042 0.000 0.722 447 K HN 0.348 nan 8.250 nan 0.000 0.443 448 A N -0.010 122.855 122.820 0.076 0.000 2.015 448 A HA -0.111 4.207 4.320 -0.003 0.000 0.219 448 A C 2.010 179.649 177.584 0.092 0.000 1.163 448 A CA 0.878 52.945 52.037 0.050 0.000 0.646 448 A CB -1.008 17.997 19.000 0.010 0.000 0.806 448 A HN 0.604 nan 8.150 nan 0.000 0.448 449 W N 0.896 122.133 121.300 -0.106 0.000 2.468 449 W HA -0.125 4.533 4.660 -0.003 0.000 0.262 449 W C 1.487 177.984 176.519 -0.038 0.000 1.241 449 W CA 1.311 58.597 57.345 -0.099 0.000 1.232 449 W CB 0.052 29.482 29.460 -0.050 0.000 1.124 449 W HN 0.584 nan 8.180 nan 0.000 0.597 450 E N 0.047 120.336 120.200 0.148 0.000 2.265 450 E HA -0.225 4.123 4.350 -0.003 0.000 0.196 450 E C 2.009 178.618 176.600 0.014 0.000 0.996 450 E CA 0.662 57.115 56.400 0.089 0.000 0.832 450 E CB -0.243 29.506 29.700 0.082 0.000 0.756 450 E HN 0.150 nan 8.360 nan 0.000 0.491 451 K N 0.872 121.243 120.400 -0.049 0.000 2.362 451 K HA -0.047 4.271 4.320 -0.003 0.000 0.200 451 K C 0.278 176.800 176.600 -0.132 0.000 1.046 451 K CA 0.275 56.506 56.287 -0.094 0.000 0.952 451 K CB 0.072 32.489 32.500 -0.139 0.000 0.753 451 K HN 0.099 nan 8.250 nan 0.000 0.466 452 L N 1.569 122.686 121.223 -0.177 0.000 2.290 452 L HA 0.125 4.463 4.340 -0.003 0.000 0.284 452 L C 1.277 178.141 176.870 -0.011 0.000 1.078 452 L CA -0.326 54.414 54.840 -0.167 0.000 0.815 452 L CB 1.317 43.184 42.059 -0.322 0.000 1.162 452 L HN 0.054 nan 8.230 nan 0.000 0.435 453 E N 1.138 121.361 120.200 0.039 0.000 2.047 453 E HA -0.053 4.295 4.350 -0.003 0.000 0.191 453 E C -0.128 176.627 176.600 0.258 0.000 0.987 453 E CA 1.054 57.545 56.400 0.152 0.000 0.799 453 E CB 0.187 29.987 29.700 0.167 0.000 0.752 453 E HN 0.620 nan 8.360 nan 0.000 0.449 454 T N 0.220 114.891 114.554 0.195 0.000 2.886 454 T HA 0.423 4.771 4.350 -0.003 0.000 0.292 454 T C -1.368 173.435 174.700 0.172 0.000 1.012 454 T CA -0.600 61.585 62.100 0.142 0.000 0.982 454 T CB 1.630 70.601 68.868 0.171 0.000 1.018 454 T HN -0.041 nan 8.240 nan 0.000 0.451 455 F N 3.582 123.481 119.950 -0.084 0.000 2.612 455 F HA 0.640 5.165 4.527 -0.004 0.000 0.332 455 F C -1.418 174.344 175.800 -0.063 0.000 1.167 455 F CA -1.354 56.667 58.000 0.035 0.000 0.970 455 F CB 0.953 40.089 39.000 0.228 0.000 1.234 455 F HN 0.322 nan 8.300 nan 0.000 0.453 456 V N 6.412 126.095 119.914 -0.385 0.000 2.459 456 V HA 0.722 4.840 4.120 -0.003 0.000 0.295 456 V C -0.598 175.134 176.094 -0.605 0.000 1.029 456 V CA -0.849 61.077 62.300 -0.624 0.000 0.874 456 V CB 1.486 32.710 31.823 -0.999 0.000 0.985 456 V HN 0.557 nan 8.190 nan 0.000 0.438 457 V N 4.135 123.792 119.914 -0.428 0.000 2.789 457 V HA 0.529 4.647 4.120 -0.003 0.000 0.311 457 V C -0.813 175.303 176.094 0.036 0.000 1.073 457 V CA -0.670 61.506 62.300 -0.206 0.000 0.921 457 V CB 2.160 33.788 31.823 -0.325 0.000 1.009 457 V HN 0.982 nan 8.190 nan 0.000 0.426 458 H N 2.728 121.790 119.070 -0.014 0.000 2.529 458 H HA 0.735 5.289 4.556 -0.004 0.000 0.348 458 H C -1.085 174.207 175.328 -0.059 0.000 1.079 458 H CA -0.773 55.256 56.048 -0.032 0.000 1.198 458 H CB 2.420 32.201 29.762 0.033 0.000 1.521 458 H HN 0.614 nan 8.280 nan 0.000 0.514 459 D N 1.611 121.997 120.400 -0.022 0.000 2.725 459 D HA 0.007 4.645 4.640 -0.003 0.000 0.292 459 D C -0.665 175.541 176.300 -0.156 0.000 1.288 459 D CA -0.535 53.370 54.000 -0.157 0.000 0.784 459 D CB 1.485 42.129 40.800 -0.260 0.000 1.308 459 D HN 0.445 nan 8.370 nan 0.000 0.429 460 F N -0.581 119.336 119.950 -0.056 0.000 2.706 460 F HA 0.474 4.999 4.527 -0.004 0.000 0.308 460 F C 0.479 176.232 175.800 -0.079 0.000 1.095 460 F CA -0.199 57.758 58.000 -0.071 0.000 1.244 460 F CB 0.310 39.309 39.000 -0.001 0.000 1.063 460 F HN -0.088 nan 8.300 nan 0.000 0.582 461 Q N 0.215 119.905 119.800 -0.185 0.000 2.365 461 Q HA 0.170 4.508 4.340 -0.003 0.000 0.269 461 Q C -1.649 174.239 176.000 -0.186 0.000 1.061 461 Q CA -0.537 55.258 55.803 -0.013 0.000 0.816 461 Q CB 1.956 30.811 28.738 0.194 0.000 1.325 461 Q HN 0.496 nan 8.270 nan 0.000 0.446 462 W N 2.999 124.257 121.300 -0.069 0.000 1.564 462 W HA 0.059 4.717 4.660 -0.003 0.000 0.480 462 W C 0.935 177.174 176.519 -0.467 0.000 0.699 462 W CA -0.096 57.131 57.345 -0.197 0.000 1.985 462 W CB 0.108 29.507 29.460 -0.102 0.000 1.738 462 W HN 0.410 nan 8.180 nan 0.000 0.218 463 T N -0.973 113.293 114.554 -0.480 0.000 2.788 463 T HA 0.194 4.542 4.350 -0.003 0.000 0.287 463 T C -1.540 172.893 174.700 -0.444 0.000 1.007 463 T CA -1.530 60.014 62.100 -0.928 0.000 1.005 463 T CB 1.359 69.787 68.868 -0.732 0.000 1.012 463 T HN -0.057 nan 8.240 nan 0.000 0.530 464 P HA -0.068 nan 4.420 nan 0.000 0.216 464 P C 1.650 178.876 177.300 -0.125 0.000 1.150 464 P CA 1.192 64.222 63.100 -0.116 0.000 0.837 464 P CB -0.304 31.407 31.700 0.019 0.000 0.786 465 T N -0.556 113.892 114.554 -0.177 0.000 2.684 465 T HA -0.167 4.181 4.350 -0.003 0.000 0.267 465 T C 1.893 176.537 174.700 -0.093 0.000 1.036 465 T CA 1.808 63.825 62.100 -0.138 0.000 1.148 465 T CB -0.952 67.886 68.868 -0.049 0.000 0.863 465 T HN 0.067 nan 8.240 nan 0.000 0.436 466 A N 1.447 124.204 122.820 -0.104 0.000 1.930 466 A HA -0.049 4.269 4.320 -0.003 0.000 0.217 466 A C 2.334 180.012 177.584 0.156 0.000 1.175 466 A CA 1.197 53.183 52.037 -0.085 0.000 0.627 466 A CB -0.450 18.402 19.000 -0.247 0.000 0.815 466 A HN 0.389 nan 8.150 nan 0.000 0.443 467 R N -1.469 119.161 120.500 0.217 0.000 2.193 467 R HA -0.114 4.224 4.340 -0.003 0.000 0.229 467 R C 1.255 177.604 176.300 0.081 0.000 1.110 467 R CA 1.416 57.663 56.100 0.245 0.000 0.988 467 R CB -0.290 30.025 30.300 0.026 0.000 0.871 467 R HN 0.694 nan 8.270 nan 0.000 0.458 468 H N -0.740 118.279 119.070 -0.085 0.000 2.539 468 H HA 0.278 4.832 4.556 -0.003 0.000 0.269 468 H C 0.184 175.608 175.328 0.160 0.000 0.980 468 H CA 0.130 56.087 56.048 -0.153 0.000 1.152 468 H CB 0.442 29.707 29.762 -0.828 0.000 1.407 468 H HN 0.167 nan 8.280 nan 0.000 0.564 469 A N 0.114 123.088 122.820 0.257 0.000 2.332 469 A HA 0.092 4.410 4.320 -0.003 0.000 0.258 469 A C 0.748 178.427 177.584 0.158 0.000 1.087 469 A CA -0.348 51.761 52.037 0.120 0.000 0.802 469 A CB 0.552 19.428 19.000 -0.208 0.000 1.042 469 A HN 0.280 nan 8.150 nan 0.000 0.489 470 D N -0.065 120.328 120.400 -0.012 0.000 2.183 470 D HA 0.093 4.731 4.640 -0.003 0.000 0.205 470 D C 0.019 176.219 176.300 -0.167 0.000 0.962 470 D CA 1.490 55.370 54.000 -0.200 0.000 0.849 470 D CB 0.097 40.450 40.800 -0.746 0.000 0.978 470 D HN 0.489 nan 8.370 nan 0.000 0.488 471 I N 1.215 121.653 120.570 -0.219 0.000 2.439 471 I HA 0.167 4.335 4.170 -0.003 0.000 0.285 471 I C -0.862 175.142 176.117 -0.189 0.000 1.021 471 I CA -0.707 60.496 61.300 -0.162 0.000 1.091 471 I CB 2.637 40.520 38.000 -0.195 0.000 1.242 471 I HN -0.384 nan 8.210 nan 0.000 0.439 472 V N 7.077 126.876 119.914 -0.192 0.000 2.384 472 V HA 0.486 4.604 4.120 -0.003 0.000 0.287 472 V C -0.096 175.799 176.094 -0.332 0.000 1.020 472 V CA -0.565 61.555 62.300 -0.301 0.000 0.850 472 V CB 1.353 32.883 31.823 -0.489 0.000 0.987 472 V HN 0.471 nan 8.190 nan 0.000 0.436 473 L N 7.100 128.160 121.223 -0.272 0.000 2.313 473 L HA 0.534 4.872 4.340 -0.003 0.000 0.283 473 L C -2.388 174.331 176.870 -0.251 0.000 1.013 473 L CA -1.850 52.794 54.840 -0.328 0.000 0.816 473 L CB 2.639 44.516 42.059 -0.305 0.000 1.236 473 L HN 0.397 nan 8.230 nan 0.000 0.419 474 P HA 0.195 nan 4.420 nan 0.000 0.280 474 P C -0.669 176.671 177.300 0.066 0.000 1.300 474 P CA -0.105 62.933 63.100 -0.102 0.000 0.785 474 P CB 1.403 33.037 31.700 -0.110 0.000 0.874 475 A N 4.276 127.134 122.820 0.065 0.000 2.271 475 A HA 0.652 4.970 4.320 -0.003 0.000 0.288 475 A C 0.651 178.329 177.584 0.158 0.000 1.094 475 A CA -0.270 51.841 52.037 0.124 0.000 0.828 475 A CB 0.072 19.186 19.000 0.191 0.000 1.091 475 A HN 0.574 nan 8.150 nan 0.000 0.493 476 T N -0.998 113.603 114.554 0.078 0.000 2.902 476 T HA 0.582 4.930 4.350 -0.003 0.000 0.280 476 T C 0.551 175.177 174.700 -0.123 0.000 0.992 476 T CA 0.102 62.181 62.100 -0.034 0.000 1.015 476 T CB 0.892 69.700 68.868 -0.099 0.000 1.044 476 T HN 1.063 nan 8.240 nan 0.000 0.520 477 T N -1.144 113.172 114.554 -0.397 0.000 2.810 477 T HA 0.314 4.662 4.350 -0.003 0.000 0.277 477 T C 1.510 175.914 174.700 -0.493 0.000 0.973 477 T CA -0.522 61.184 62.100 -0.656 0.000 0.949 477 T CB 0.554 68.950 68.868 -0.787 0.000 1.075 477 T HN 0.458 nan 8.240 nan 0.000 0.537 478 S N -0.160 115.111 115.700 -0.716 0.000 2.419 478 S HA -0.053 4.415 4.470 -0.003 0.000 0.233 478 S C 1.215 175.466 174.600 -0.582 0.000 1.016 478 S CA 0.967 58.764 58.200 -0.673 0.000 0.974 478 S CB -0.725 61.970 63.200 -0.841 0.000 0.786 478 S HN 0.750 nan 8.310 nan 0.000 0.492 479 Y N 1.040 121.315 120.300 -0.041 0.000 2.529 479 Y HA 0.261 4.810 4.550 -0.003 0.000 0.290 479 Y C 1.394 177.272 175.900 -0.037 0.000 1.177 479 Y CA -0.188 57.910 58.100 -0.003 0.000 1.305 479 Y CB -0.467 38.042 38.460 0.083 0.000 1.047 479 Y HN 0.280 nan 8.280 nan 0.000 0.522 480 E N 0.647 120.816 120.200 -0.053 0.000 2.624 480 E HA 0.205 4.553 4.350 -0.003 0.000 0.210 480 E C 0.322 176.878 176.600 -0.073 0.000 0.997 480 E CA -0.255 56.114 56.400 -0.052 0.000 0.999 480 E CB 0.569 30.214 29.700 -0.092 0.000 1.040 480 E HN 0.385 nan 8.360 nan 0.000 0.469 481 R N -0.910 119.542 120.500 -0.079 0.000 2.829 481 R HA 0.419 4.757 4.340 -0.003 0.000 0.267 481 R C -1.215 175.109 176.300 0.039 0.000 1.051 481 R CA -0.895 55.165 56.100 -0.067 0.000 0.927 481 R CB 0.781 30.913 30.300 -0.281 0.000 1.292 481 R HN -0.191 nan 8.270 nan 0.000 0.445 482 N N -0.133 118.658 118.700 0.153 0.000 2.384 482 N HA 0.449 5.187 4.740 -0.003 0.000 0.301 482 N C -1.430 174.283 175.510 0.338 0.000 1.133 482 N CA -0.285 52.925 53.050 0.266 0.000 0.853 482 N CB 1.837 40.521 38.487 0.329 0.000 1.241 482 N HN 0.535 nan 8.380 nan 0.000 0.502 483 D N 0.180 120.793 120.400 0.356 0.000 2.779 483 D HA 0.472 5.110 4.640 -0.003 0.000 0.331 483 D C -1.372 175.141 176.300 0.355 0.000 1.331 483 D CA -0.382 53.809 54.000 0.318 0.000 0.866 483 D CB 2.232 43.175 40.800 0.238 0.000 1.409 483 D HN 0.347 nan 8.370 nan 0.000 0.486 484 I N 0.821 121.573 120.570 0.303 0.000 2.722 484 I HA 0.529 4.697 4.170 -0.003 0.000 0.295 484 I C -1.713 174.503 176.117 0.164 0.000 1.161 484 I CA -0.393 61.098 61.300 0.319 0.000 1.032 484 I CB 2.050 40.358 38.000 0.513 0.000 1.244 484 I HN 0.369 nan 8.210 nan 0.000 0.421 485 E N 3.396 123.659 120.200 0.104 0.000 2.407 485 E HA 0.417 4.765 4.350 -0.003 0.000 0.279 485 E C -1.490 175.116 176.600 0.010 0.000 1.012 485 E CA -0.422 55.987 56.400 0.016 0.000 0.800 485 E CB 2.085 31.752 29.700 -0.055 0.000 1.276 485 E HN 0.510 nan 8.360 nan 0.000 0.452 486 T N 2.604 117.155 114.554 -0.005 0.000 2.907 486 T HA 0.422 4.770 4.350 -0.003 0.000 0.298 486 T C 0.205 174.897 174.700 -0.015 0.000 1.017 486 T CA -0.057 62.050 62.100 0.012 0.000 1.118 486 T CB 0.078 68.957 68.868 0.019 0.000 0.948 486 T HN 0.295 nan 8.240 nan 0.000 0.531 487 I N 2.508 123.075 120.570 -0.005 0.000 2.307 487 I HA 0.512 4.680 4.170 -0.003 0.000 0.289 487 I C 0.766 176.910 176.117 0.045 0.000 1.021 487 I CA -0.180 61.113 61.300 -0.011 0.000 1.224 487 I CB 0.867 38.847 38.000 -0.035 0.000 1.376 487 I HN 0.893 nan 8.210 nan 0.000 0.470 488 G N 4.786 113.612 108.800 0.043 0.000 3.251 488 G HA2 -0.160 3.798 3.960 -0.003 0.000 0.680 488 G HA3 -0.160 3.798 3.960 -0.003 0.000 0.680 488 G C 0.058 174.983 174.900 0.041 0.000 1.129 488 G CA -0.746 44.398 45.100 0.072 0.000 0.994 488 G HN 0.735 nan 8.290 nan 0.000 0.450 489 D N 0.432 120.827 120.400 -0.009 0.000 2.182 489 D HA -0.125 4.513 4.640 -0.003 0.000 0.201 489 D C 1.487 177.627 176.300 -0.266 0.000 0.986 489 D CA 1.991 55.898 54.000 -0.156 0.000 0.847 489 D CB 0.296 40.931 40.800 -0.275 0.000 0.942 489 D HN 0.664 nan 8.370 nan 0.000 0.467 490 Y N -0.269 120.065 120.300 0.057 0.000 2.607 490 Y HA -0.008 4.540 4.550 -0.003 0.000 0.276 490 Y C 2.621 178.543 175.900 0.037 0.000 1.117 490 Y CA 0.388 58.510 58.100 0.038 0.000 1.273 490 Y CB -0.210 38.275 38.460 0.041 0.000 1.282 490 Y HN -0.106 nan 8.280 nan 0.000 0.514 491 S N 0.148 115.982 115.700 0.224 0.000 2.387 491 S HA -0.136 4.332 4.470 -0.003 0.000 0.226 491 S C 1.016 175.705 174.600 0.148 0.000 1.026 491 S CA 0.850 59.154 58.200 0.174 0.000 0.972 491 S CB -0.573 62.738 63.200 0.185 0.000 0.814 491 S HN 0.497 nan 8.310 nan 0.000 0.477 492 N N 0.915 119.697 118.700 0.137 0.000 2.727 492 N HA -0.135 4.603 4.740 -0.003 0.000 0.251 492 N C 0.357 176.016 175.510 0.247 0.000 1.040 492 N CA 0.932 54.082 53.050 0.167 0.000 0.712 492 N CB -1.979 36.588 38.487 0.134 0.000 0.912 492 N HN 0.510 nan 8.380 nan 0.000 0.545 493 T N -1.342 113.322 114.554 0.183 0.000 2.788 493 T HA 0.214 4.562 4.350 -0.003 0.000 0.268 493 T C 1.106 175.838 174.700 0.053 0.000 1.044 493 T CA 1.414 63.609 62.100 0.159 0.000 1.139 493 T CB -0.100 68.864 68.868 0.160 0.000 0.867 493 T HN 0.786 nan 8.240 nan 0.000 0.454 494 G N -0.486 108.299 108.800 -0.026 0.000 2.340 494 G HA2 0.526 4.484 3.960 -0.003 0.000 0.299 494 G HA3 0.526 4.484 3.960 -0.003 0.000 0.299 494 G C -2.094 172.701 174.900 -0.175 0.000 1.291 494 G CA -1.031 43.848 45.100 -0.369 0.000 0.841 494 G HN 0.212 nan 8.290 nan 0.000 0.500 495 I N 0.356 120.798 120.570 -0.213 0.000 2.433 495 I HA 0.513 4.681 4.170 -0.003 0.000 0.292 495 I C -0.826 175.345 176.117 0.090 0.000 1.001 495 I CA -0.779 60.513 61.300 -0.012 0.000 1.119 495 I CB 1.936 39.944 38.000 0.014 0.000 1.289 495 I HN 0.386 nan 8.210 nan 0.000 0.438 496 L N 6.052 127.313 121.223 0.064 0.000 2.317 496 L HA 0.758 5.096 4.340 -0.003 0.000 0.281 496 L C -0.043 176.841 176.870 0.024 0.000 1.024 496 L CA -0.200 54.615 54.840 -0.041 0.000 0.810 496 L CB 1.623 43.552 42.059 -0.217 0.000 1.240 496 L HN 0.688 nan 8.230 nan 0.000 0.427 497 A N 6.124 128.774 122.820 -0.284 0.000 2.302 497 A HA 0.494 4.812 4.320 -0.003 0.000 0.295 497 A C -0.153 177.105 177.584 -0.542 0.000 1.235 497 A CA -0.357 51.307 52.037 -0.622 0.000 0.876 497 A CB -0.241 17.791 19.000 -1.613 0.000 1.133 497 A HN 0.787 nan 8.150 nan 0.000 0.533 498 M N 3.866 123.298 119.600 -0.280 0.000 2.664 498 M HA 0.129 4.607 4.480 -0.003 0.000 0.332 498 M C -0.139 176.074 176.300 -0.144 0.000 1.354 498 M CA 0.302 55.482 55.300 -0.201 0.000 1.399 498 M CB -0.003 32.556 32.600 -0.067 0.000 1.224 498 M HN 0.559 nan 8.290 nan 0.000 0.479 499 K N 1.913 122.154 120.400 -0.265 0.000 2.185 499 K HA 0.225 4.543 4.320 -0.003 0.000 0.271 499 K C 0.025 176.614 176.600 -0.019 0.000 1.013 499 K CA -0.521 55.691 56.287 -0.125 0.000 0.943 499 K CB 1.072 33.417 32.500 -0.259 0.000 0.998 499 K HN 0.363 nan 8.250 nan 0.000 0.468 500 K N 2.584 123.024 120.400 0.066 0.000 2.484 500 K HA -0.036 4.282 4.320 -0.003 0.000 0.280 500 K C 0.281 176.912 176.600 0.052 0.000 1.013 500 K CA 0.282 56.607 56.287 0.063 0.000 1.029 500 K CB 0.323 32.866 32.500 0.072 0.000 0.902 500 K HN 0.537 nan 8.250 nan 0.000 0.481 501 I N 3.691 124.311 120.570 0.084 0.000 3.039 501 I HA -0.001 4.167 4.170 -0.003 0.000 0.270 501 I C 0.135 176.307 176.117 0.093 0.000 1.150 501 I CA 0.031 61.389 61.300 0.096 0.000 1.448 501 I CB 0.748 38.849 38.000 0.170 0.000 1.197 501 I HN 0.469 nan 8.210 nan 0.000 0.450 502 V N -2.806 117.163 119.914 0.091 0.000 3.159 502 V HA 0.518 4.636 4.120 -0.003 0.000 0.308 502 V C -0.749 175.367 176.094 0.037 0.000 1.190 502 V CA -1.076 61.268 62.300 0.072 0.000 1.037 502 V CB 1.862 33.744 31.823 0.099 0.000 1.060 502 V HN -0.111 nan 8.190 nan 0.000 0.437 503 E N 1.679 121.893 120.200 0.024 0.000 2.383 503 E HA 0.371 4.719 4.350 -0.003 0.000 0.264 503 E C -2.534 174.055 176.600 -0.018 0.000 1.050 503 E CA -1.922 54.480 56.400 0.004 0.000 0.896 503 E CB 0.364 30.066 29.700 0.004 0.000 0.982 503 E HN 0.614 nan 8.360 nan 0.000 0.424 504 P HA -0.051 nan 4.420 nan 0.000 0.263 504 P C -0.218 177.052 177.300 -0.050 0.000 1.175 504 P CA 0.516 63.593 63.100 -0.037 0.000 0.761 504 P CB 0.337 32.024 31.700 -0.022 0.000 0.794 505 L N 3.984 125.159 121.223 -0.079 0.000 2.399 505 L HA 0.220 4.558 4.340 -0.003 0.000 0.266 505 L C 0.925 177.756 176.870 -0.064 0.000 1.114 505 L CA -0.405 54.320 54.840 -0.191 0.000 0.804 505 L CB -0.033 41.848 42.059 -0.297 0.000 1.146 505 L HN 0.514 nan 8.230 nan 0.000 0.451 506 Y N 0.591 120.908 120.300 0.028 0.000 2.790 506 Y HA -0.432 4.115 4.550 -0.003 0.000 0.466 506 Y C 1.126 177.083 175.900 0.095 0.000 1.130 506 Y CA 1.503 59.619 58.100 0.026 0.000 2.703 506 Y CB -0.746 37.638 38.460 -0.128 0.000 1.159 506 Y HN 0.582 nan 8.280 nan 0.000 0.625 507 E N 1.177 121.572 120.200 0.326 0.000 2.569 507 E HA 0.529 4.877 4.350 -0.003 0.000 0.205 507 E C -0.078 176.784 176.600 0.435 0.000 1.006 507 E CA 0.252 56.888 56.400 0.395 0.000 0.985 507 E CB 0.352 30.346 29.700 0.491 0.000 1.060 507 E HN 0.472 nan 8.360 nan 0.000 0.460 508 A N 1.646 124.623 122.820 0.261 0.000 2.498 508 A HA 0.289 4.607 4.320 -0.003 0.000 0.239 508 A C 0.180 177.839 177.584 0.126 0.000 1.068 508 A CA 0.355 52.515 52.037 0.205 0.000 0.766 508 A CB 0.349 19.416 19.000 0.112 0.000 1.003 508 A HN 0.181 nan 8.150 nan 0.000 0.497 509 R N 0.640 121.188 120.500 0.080 0.000 2.771 509 R HA 0.486 4.824 4.340 -0.003 0.000 0.274 509 R C -0.153 176.103 176.300 -0.074 0.000 0.987 509 R CA -0.386 55.650 56.100 -0.108 0.000 0.908 509 R CB 2.091 32.127 30.300 -0.440 0.000 1.213 509 R HN 0.920 nan 8.270 nan 0.000 0.468 510 S N 0.045 115.701 115.700 -0.074 0.000 2.585 510 S HA 0.033 4.501 4.470 -0.003 0.000 0.273 510 S C 0.527 175.142 174.600 0.025 0.000 1.339 510 S CA -0.519 57.667 58.200 -0.022 0.000 1.028 510 S CB 0.837 64.022 63.200 -0.025 0.000 0.906 510 S HN 0.550 nan 8.310 nan 0.000 0.528 511 D N 0.618 121.088 120.400 0.116 0.000 2.123 511 D HA -0.173 4.465 4.640 -0.003 0.000 0.196 511 D C 1.465 177.876 176.300 0.185 0.000 0.992 511 D CA 1.713 55.790 54.000 0.128 0.000 0.833 511 D CB -0.316 40.673 40.800 0.315 0.000 0.954 511 D HN 0.803 nan 8.370 nan 0.000 0.455 512 Y N 2.280 122.733 120.300 0.255 0.000 2.114 512 Y HA -0.255 4.293 4.550 -0.004 0.000 0.282 512 Y C 1.840 177.858 175.900 0.197 0.000 1.165 512 Y CA 1.903 60.197 58.100 0.325 0.000 1.148 512 Y CB -0.088 38.562 38.460 0.315 0.000 0.972 512 Y HN -0.154 nan 8.280 nan 0.000 0.504 513 D N 0.014 120.543 120.400 0.213 0.000 2.144 513 D HA -0.157 4.481 4.640 -0.003 0.000 0.200 513 D C 2.289 178.475 176.300 -0.190 0.000 0.978 513 D CA 1.629 55.637 54.000 0.014 0.000 0.833 513 D CB -0.306 40.478 40.800 -0.027 0.000 0.961 513 D HN 0.465 nan 8.370 nan 0.000 0.470 514 I N 0.020 120.435 120.570 -0.258 0.000 2.163 514 I HA -0.256 3.912 4.170 -0.003 0.000 0.240 514 I C 1.956 177.890 176.117 -0.304 0.000 1.081 514 I CA 0.858 61.947 61.300 -0.350 0.000 1.353 514 I CB -0.201 37.513 38.000 -0.476 0.000 1.054 514 I HN -0.108 nan 8.210 nan 0.000 0.407 515 F N 0.973 120.799 119.950 -0.208 0.000 2.234 515 F HA -0.104 4.421 4.527 -0.003 0.000 0.299 515 F C 2.552 177.801 175.800 -0.918 0.000 1.087 515 F CA 0.891 58.598 58.000 -0.487 0.000 1.340 515 F CB -1.153 37.550 39.000 -0.495 0.000 1.031 515 F HN -0.002 nan 8.300 nan 0.000 0.500 516 A N 0.226 122.648 122.820 -0.664 0.000 1.883 516 A HA -0.111 4.207 4.320 -0.003 0.000 0.217 516 A C 2.481 179.894 177.584 -0.283 0.000 1.186 516 A CA 2.029 53.743 52.037 -0.539 0.000 0.624 516 A CB -1.305 17.543 19.000 -0.252 0.000 0.822 516 A HN 0.291 nan 8.150 nan 0.000 0.444 517 A N -0.867 121.834 122.820 -0.199 0.000 1.930 517 A HA 0.066 4.384 4.320 -0.003 0.000 0.217 517 A C 2.208 179.751 177.584 -0.069 0.000 1.175 517 A CA 1.715 53.686 52.037 -0.110 0.000 0.627 517 A CB -0.729 18.206 19.000 -0.108 0.000 0.815 517 A HN 0.383 nan 8.150 nan 0.000 0.443 518 V N -0.345 119.523 119.914 -0.076 0.000 2.379 518 V HA -0.153 3.965 4.120 -0.003 0.000 0.245 518 V C 3.013 179.085 176.094 -0.037 0.000 1.044 518 V CA 1.644 63.943 62.300 -0.001 0.000 1.036 518 V CB -1.077 30.801 31.823 0.091 0.000 0.664 518 V HN 0.581 nan 8.190 nan 0.000 0.453 519 A N -0.068 122.665 122.820 -0.146 0.000 1.972 519 A HA -0.259 4.059 4.320 -0.003 0.000 0.219 519 A C 2.155 179.721 177.584 -0.030 0.000 1.169 519 A CA 2.054 54.026 52.037 -0.108 0.000 0.635 519 A CB -0.462 18.409 19.000 -0.215 0.000 0.810 519 A HN 0.550 nan 8.150 nan 0.000 0.446 520 E N 0.194 120.371 120.200 -0.038 0.000 2.077 520 E HA -0.156 4.192 4.350 -0.003 0.000 0.193 520 E C 2.092 178.700 176.600 0.014 0.000 0.989 520 E CA 1.446 57.845 56.400 -0.002 0.000 0.800 520 E CB -0.187 29.509 29.700 -0.007 0.000 0.746 520 E HN 0.615 nan 8.360 nan 0.000 0.452 521 R N -0.436 120.073 120.500 0.015 0.000 2.235 521 R HA 0.044 4.382 4.340 -0.003 0.000 0.213 521 R C 1.661 177.984 176.300 0.037 0.000 1.059 521 R CA 0.710 56.828 56.100 0.031 0.000 0.997 521 R CB -0.059 30.265 30.300 0.041 0.000 0.884 521 R HN 0.240 nan 8.270 nan 0.000 0.462 522 L N -0.546 120.699 121.223 0.035 0.000 2.592 522 L HA 0.261 4.599 4.340 -0.003 0.000 0.227 522 L C 0.946 177.840 176.870 0.039 0.000 1.127 522 L CA 0.184 55.049 54.840 0.042 0.000 0.884 522 L CB 0.304 42.391 42.059 0.047 0.000 1.065 522 L HN 0.367 nan 8.230 nan 0.000 0.457 523 G N 0.710 109.531 108.800 0.035 0.000 2.137 523 G HA2 -0.240 3.718 3.960 -0.003 0.000 0.237 523 G HA3 -0.240 3.718 3.960 -0.003 0.000 0.237 523 G C 0.440 175.366 174.900 0.043 0.000 1.002 523 G CA -0.093 45.028 45.100 0.036 0.000 0.702 523 G HN 0.295 nan 8.290 nan 0.000 0.515 524 K N 0.103 120.533 120.400 0.050 0.000 2.934 524 K HA 0.348 4.666 4.320 -0.003 0.000 0.210 524 K C 1.839 178.496 176.600 0.094 0.000 1.122 524 K CA 0.215 56.544 56.287 0.070 0.000 1.033 524 K CB 0.602 33.150 32.500 0.080 0.000 0.779 524 K HN 0.298 nan 8.250 nan 0.000 0.459 525 G N 1.336 110.181 108.800 0.076 0.000 2.433 525 G HA2 -0.279 3.679 3.960 -0.003 0.000 0.216 525 G HA3 -0.279 3.679 3.960 -0.003 0.000 0.216 525 G C 1.456 176.440 174.900 0.141 0.000 1.186 525 G CA 1.129 46.284 45.100 0.092 0.000 0.779 525 G HN 0.364 nan 8.290 nan 0.000 0.543 526 A N 0.643 123.527 122.820 0.106 0.000 1.972 526 A HA 0.032 4.350 4.320 -0.003 0.000 0.219 526 A C 2.196 179.851 177.584 0.117 0.000 1.169 526 A CA 2.109 54.206 52.037 0.100 0.000 0.635 526 A CB -0.318 18.718 19.000 0.060 0.000 0.810 526 A HN 0.378 nan 8.150 nan 0.000 0.446 527 E N -1.166 119.106 120.200 0.119 0.000 2.106 527 E HA -0.105 4.243 4.350 -0.003 0.000 0.192 527 E C 1.589 178.281 176.600 0.153 0.000 0.984 527 E CA 1.242 57.711 56.400 0.115 0.000 0.806 527 E CB -0.336 29.425 29.700 0.102 0.000 0.750 527 E HN 0.704 nan 8.360 nan 0.000 0.458 528 F N 0.798 120.780 119.950 0.053 0.000 2.098 528 F HA -0.177 4.348 4.527 -0.003 0.000 0.294 528 F C 2.441 178.323 175.800 0.137 0.000 1.107 528 F CA 1.861 59.886 58.000 0.041 0.000 1.234 528 F CB -0.456 38.528 39.000 -0.026 0.000 1.002 528 F HN 0.078 nan 8.300 nan 0.000 0.472 529 T N -3.085 111.681 114.554 0.353 0.000 2.942 529 T HA -0.007 4.341 4.350 -0.003 0.000 0.265 529 T C 1.139 176.067 174.700 0.381 0.000 1.062 529 T CA 1.000 63.363 62.100 0.439 0.000 1.139 529 T CB -0.059 69.046 68.868 0.394 0.000 0.883 529 T HN 0.270 nan 8.240 nan 0.000 0.468 530 E N 0.447 120.764 120.200 0.194 0.000 3.413 530 E HA -0.143 4.205 4.350 -0.003 0.000 0.300 530 E C 1.040 177.591 176.600 -0.081 0.000 0.891 530 E CA 1.227 57.656 56.400 0.049 0.000 1.050 530 E CB -1.880 27.843 29.700 0.038 0.000 1.534 530 E HN 1.176 nan 8.360 nan 0.000 0.436 531 G N -0.759 108.028 108.800 -0.021 0.000 2.168 531 G HA2 -0.394 3.564 3.960 -0.003 0.000 0.263 531 G HA3 -0.394 3.564 3.960 -0.003 0.000 0.263 531 G C 0.255 175.067 174.900 -0.146 0.000 0.977 531 G CA 0.881 45.942 45.100 -0.065 0.000 0.659 531 G HN 0.403 nan 8.290 nan 0.000 0.533 532 K N 0.755 121.012 120.400 -0.238 0.000 2.156 532 K HA 0.561 4.879 4.320 -0.003 0.000 0.250 532 K C -0.166 176.350 176.600 -0.141 0.000 0.955 532 K CA -0.449 55.591 56.287 -0.411 0.000 0.855 532 K CB 1.359 33.180 32.500 -1.132 0.000 1.101 532 K HN 0.308 nan 8.250 nan 0.000 0.434 533 D N -0.208 120.107 120.400 -0.142 0.000 2.569 533 D HA 0.007 4.645 4.640 -0.003 0.000 0.266 533 D C 0.822 177.105 176.300 -0.028 0.000 1.164 533 D CA -0.593 53.404 54.000 -0.005 0.000 1.071 533 D CB 0.507 41.295 40.800 -0.020 0.000 1.183 533 D HN 0.654 nan 8.370 nan 0.000 0.613 534 E N -0.904 119.266 120.200 -0.049 0.000 2.065 534 E HA -0.250 4.098 4.350 -0.003 0.000 0.201 534 E C 1.829 178.366 176.600 -0.105 0.000 1.016 534 E CA 1.606 57.950 56.400 -0.092 0.000 0.818 534 E CB -0.034 29.647 29.700 -0.032 0.000 0.749 534 E HN 0.337 nan 8.360 nan 0.000 0.453 535 M N -0.174 119.341 119.600 -0.143 0.000 2.319 535 M HA -0.007 4.471 4.480 -0.003 0.000 0.265 535 M C 2.317 178.425 176.300 -0.321 0.000 1.068 535 M CA 1.264 56.425 55.300 -0.232 0.000 1.118 535 M CB -0.981 31.480 32.600 -0.232 0.000 1.395 535 M HN 0.276 nan 8.290 nan 0.000 0.435 536 G N -1.313 107.304 108.800 -0.305 0.000 2.408 536 G HA2 -0.206 3.752 3.960 -0.003 0.000 0.217 536 G HA3 -0.206 3.752 3.960 -0.003 0.000 0.217 536 G C 1.426 176.020 174.900 -0.510 0.000 1.150 536 G CA 0.151 45.003 45.100 -0.412 0.000 0.776 536 G HN 0.440 nan 8.290 nan 0.000 0.542 537 W N 0.638 121.653 121.300 -0.476 0.000 2.378 537 W HA 0.071 4.729 4.660 -0.003 0.000 0.313 537 W C 2.572 178.424 176.519 -1.111 0.000 1.197 537 W CA 0.219 57.128 57.345 -0.727 0.000 1.304 537 W CB -0.190 28.950 29.460 -0.534 0.000 1.148 537 W HN 0.086 nan 8.180 nan 0.000 0.494 538 I N 0.456 120.770 120.570 -0.427 0.000 2.208 538 I HA -0.357 3.811 4.170 -0.003 0.000 0.245 538 I C 2.405 178.302 176.117 -0.368 0.000 1.097 538 I CA 1.608 62.755 61.300 -0.254 0.000 1.363 538 I CB -0.619 37.384 38.000 0.005 0.000 1.051 538 I HN -0.035 nan 8.210 nan 0.000 0.413 539 K N 1.031 121.002 120.400 -0.715 0.000 2.057 539 K HA -0.194 4.124 4.320 -0.003 0.000 0.207 539 K C 2.263 178.571 176.600 -0.487 0.000 1.049 539 K CA 1.935 57.602 56.287 -1.033 0.000 0.931 539 K CB -0.056 31.782 32.500 -1.103 0.000 0.714 539 K HN 0.401 nan 8.250 nan 0.000 0.440 540 S N -0.068 115.360 115.700 -0.455 0.000 2.402 540 S HA -0.108 4.360 4.470 -0.003 0.000 0.229 540 S C 1.747 176.289 174.600 -0.097 0.000 1.021 540 S CA 0.771 58.800 58.200 -0.286 0.000 0.974 540 S CB -0.544 62.474 63.200 -0.303 0.000 0.800 540 S HN 0.210 nan 8.310 nan 0.000 0.484 541 F N 0.945 120.917 119.950 0.036 0.000 2.146 541 F HA 0.112 4.637 4.527 -0.004 0.000 0.298 541 F C 2.417 178.243 175.800 0.044 0.000 1.096 541 F CA 0.008 58.040 58.000 0.052 0.000 1.275 541 F CB -1.530 37.515 39.000 0.076 0.000 1.008 541 F HN 0.214 nan 8.300 nan 0.000 0.480 542 Y N 1.298 121.685 120.300 0.144 0.000 2.181 542 Y HA -0.221 4.327 4.550 -0.004 0.000 0.288 542 Y C 2.127 178.059 175.900 0.053 0.000 1.146 542 Y CA 1.782 59.943 58.100 0.101 0.000 1.164 542 Y CB -0.515 38.089 38.460 0.240 0.000 0.982 542 Y HN -0.056 nan 8.280 nan 0.000 0.515 543 D N 0.162 120.634 120.400 0.120 0.000 2.117 543 D HA -0.170 4.468 4.640 -0.003 0.000 0.197 543 D C 1.682 177.949 176.300 -0.055 0.000 0.987 543 D CA 1.695 55.718 54.000 0.039 0.000 0.829 543 D CB -0.385 40.428 40.800 0.022 0.000 0.961 543 D HN 0.424 nan 8.370 nan 0.000 0.460 544 D N 0.090 120.471 120.400 -0.031 0.000 2.117 544 D HA -0.069 4.569 4.640 -0.003 0.000 0.197 544 D C 1.977 178.224 176.300 -0.088 0.000 0.987 544 D CA 1.303 55.283 54.000 -0.034 0.000 0.829 544 D CB -0.315 40.500 40.800 0.024 0.000 0.961 544 D HN 0.144 nan 8.370 nan 0.000 0.460 545 A N 0.765 123.501 122.820 -0.141 0.000 1.933 545 A HA -0.032 4.286 4.320 -0.003 0.000 0.218 545 A C 2.274 179.712 177.584 -0.244 0.000 1.175 545 A CA 2.094 54.013 52.037 -0.196 0.000 0.628 545 A CB -0.746 18.120 19.000 -0.223 0.000 0.814 545 A HN 0.230 nan 8.150 nan 0.000 0.444 546 A N 0.505 123.127 122.820 -0.330 0.000 1.933 546 A HA -0.171 4.147 4.320 -0.003 0.000 0.218 546 A C 2.125 179.638 177.584 -0.119 0.000 1.175 546 A CA 2.005 53.895 52.037 -0.245 0.000 0.628 546 A CB -0.450 18.409 19.000 -0.236 0.000 0.814 546 A HN 0.681 nan 8.150 nan 0.000 0.444 547 K N -0.268 120.074 120.400 -0.096 0.000 2.155 547 K HA -0.154 4.164 4.320 -0.003 0.000 0.203 547 K C 2.086 178.645 176.600 -0.069 0.000 1.052 547 K CA 1.480 57.731 56.287 -0.060 0.000 0.948 547 K CB -0.266 32.208 32.500 -0.043 0.000 0.728 547 K HN 0.579 nan 8.250 nan 0.000 0.448 548 Q N 0.407 120.153 119.800 -0.090 0.000 2.083 548 Q HA -0.088 4.250 4.340 -0.003 0.000 0.198 548 Q C 2.034 177.966 176.000 -0.114 0.000 0.969 548 Q CA 1.709 57.454 55.803 -0.097 0.000 0.838 548 Q CB -0.326 28.346 28.738 -0.109 0.000 0.900 548 Q HN 0.485 nan 8.270 nan 0.000 0.436 549 G N 1.381 110.098 108.800 -0.138 0.000 2.459 549 G HA2 -0.284 3.674 3.960 -0.003 0.000 0.217 549 G HA3 -0.284 3.674 3.960 -0.003 0.000 0.217 549 G C 1.442 176.291 174.900 -0.084 0.000 1.183 549 G CA 0.832 45.846 45.100 -0.143 0.000 0.776 549 G HN 0.255 nan 8.290 nan 0.000 0.552 550 K N 0.430 120.796 120.400 -0.057 0.000 2.034 550 K HA -0.181 4.137 4.320 -0.003 0.000 0.214 550 K C 2.944 179.525 176.600 -0.032 0.000 1.051 550 K CA 1.456 57.725 56.287 -0.030 0.000 0.931 550 K CB -0.445 32.042 32.500 -0.021 0.000 0.715 550 K HN 0.245 nan 8.250 nan 0.000 0.446 551 A N 0.822 123.618 122.820 -0.041 0.000 1.948 551 A HA -0.172 4.146 4.320 -0.003 0.000 0.220 551 A C 2.122 179.681 177.584 -0.041 0.000 1.177 551 A CA 2.195 54.209 52.037 -0.038 0.000 0.636 551 A CB -0.521 18.453 19.000 -0.043 0.000 0.815 551 A HN 0.452 nan 8.150 nan 0.000 0.449 552 A N -2.279 120.507 122.820 -0.056 0.000 2.251 552 A HA 0.430 4.748 4.320 -0.003 0.000 0.209 552 A C 1.723 179.280 177.584 -0.044 0.000 1.187 552 A CA 1.132 53.134 52.037 -0.057 0.000 0.823 552 A CB -0.811 18.137 19.000 -0.087 0.000 0.846 552 A HN 1.951 nan 8.150 nan 0.000 0.486 553 G N -1.696 107.085 108.800 -0.032 0.000 2.141 553 G HA2 -0.177 3.781 3.960 -0.003 0.000 0.242 553 G HA3 -0.177 3.781 3.960 -0.003 0.000 0.242 553 G C 0.062 174.959 174.900 -0.006 0.000 0.982 553 G CA 0.105 45.197 45.100 -0.013 0.000 0.662 553 G HN 0.761 nan 8.290 nan 0.000 0.527 554 V N 1.246 121.146 119.914 -0.023 0.000 2.383 554 V HA 0.440 4.558 4.120 -0.003 0.000 0.275 554 V C 0.612 176.726 176.094 0.034 0.000 1.036 554 V CA -0.356 61.945 62.300 0.003 0.000 0.889 554 V CB 1.540 33.327 31.823 -0.060 0.000 0.985 554 V HN 0.427 nan 8.190 nan 0.000 0.459 555 Q N 4.554 124.396 119.800 0.071 0.000 2.261 555 Q HA 0.636 4.974 4.340 -0.003 0.000 0.252 555 Q C -0.664 175.409 176.000 0.122 0.000 0.915 555 Q CA 0.140 55.990 55.803 0.079 0.000 0.915 555 Q CB 1.526 30.307 28.738 0.073 0.000 1.204 555 Q HN 0.650 nan 8.270 nan 0.000 0.421 556 M N 3.258 122.930 119.600 0.120 0.000 2.393 556 M HA 0.441 4.919 4.480 -0.003 0.000 0.299 556 M C -2.216 174.206 176.300 0.204 0.000 1.103 556 M CA -2.026 53.379 55.300 0.175 0.000 0.910 556 M CB 2.008 34.692 32.600 0.141 0.000 1.659 556 M HN 0.507 nan 8.290 nan 0.000 0.445 557 P HA 0.276 nan 4.420 nan 0.000 0.272 557 P C -0.875 176.601 177.300 0.292 0.000 1.254 557 P CA -0.430 62.803 63.100 0.222 0.000 0.795 557 P CB 0.248 32.067 31.700 0.197 0.000 1.022 558 A N 0.005 122.953 122.820 0.212 0.000 2.346 558 A HA 0.152 4.470 4.320 -0.003 0.000 0.252 558 A C 1.113 178.822 177.584 0.208 0.000 1.089 558 A CA -0.415 51.766 52.037 0.239 0.000 0.797 558 A CB -0.564 18.531 19.000 0.158 0.000 1.047 558 A HN 0.585 nan 8.150 nan 0.000 0.494 559 F N 0.643 120.640 119.950 0.077 0.000 2.043 559 F HA -0.277 4.249 4.527 -0.003 0.000 0.297 559 F C 1.711 177.513 175.800 0.004 0.000 1.118 559 F CA 2.870 60.812 58.000 -0.096 0.000 1.202 559 F CB -0.132 38.850 39.000 -0.029 0.000 0.965 559 F HN 0.665 nan 8.300 nan 0.000 0.482 560 D N 0.150 120.477 120.400 -0.121 0.000 2.218 560 D HA -0.121 4.517 4.640 -0.003 0.000 0.204 560 D C 2.290 178.513 176.300 -0.128 0.000 0.976 560 D CA 1.266 55.157 54.000 -0.181 0.000 0.853 560 D CB -0.555 40.222 40.800 -0.039 0.000 0.939 560 D HN 0.427 nan 8.370 nan 0.000 0.481 561 A N 0.477 123.263 122.820 -0.056 0.000 1.897 561 A HA -0.128 4.190 4.320 -0.003 0.000 0.215 561 A C 2.025 179.579 177.584 -0.050 0.000 1.181 561 A CA 0.782 52.804 52.037 -0.026 0.000 0.620 561 A CB -0.823 18.198 19.000 0.035 0.000 0.821 561 A HN 0.269 nan 8.150 nan 0.000 0.443 562 F N -0.734 119.089 119.950 -0.211 0.000 2.102 562 F HA -0.171 4.354 4.527 -0.003 0.000 0.298 562 F C 2.180 177.806 175.800 -0.290 0.000 1.105 562 F CA 1.593 59.438 58.000 -0.259 0.000 1.239 562 F CB -0.569 38.158 39.000 -0.455 0.000 0.991 562 F HN 0.467 nan 8.300 nan 0.000 0.474 563 W N 1.364 122.052 121.300 -1.020 0.000 2.338 563 W HA -0.232 4.426 4.660 -0.003 0.000 0.304 563 W C 2.452 178.605 176.519 -0.610 0.000 1.212 563 W CA 2.351 59.099 57.345 -0.995 0.000 1.264 563 W CB -0.707 28.223 29.460 -0.884 0.000 1.142 563 W HN 0.248 nan 8.180 nan 0.000 0.512 564 A N 0.476 123.146 122.820 -0.250 0.000 1.908 564 A HA -0.254 4.064 4.320 -0.003 0.000 0.218 564 A C 1.806 179.232 177.584 -0.263 0.000 1.181 564 A CA 2.028 53.944 52.037 -0.200 0.000 0.627 564 A CB -0.916 18.018 19.000 -0.110 0.000 0.818 564 A HN 0.451 nan 8.150 nan 0.000 0.445 565 E N -2.117 117.916 120.200 -0.278 0.000 2.072 565 E HA 0.132 4.480 4.350 -0.003 0.000 0.190 565 E C 1.522 177.898 176.600 -0.374 0.000 0.982 565 E CA 0.606 56.859 56.400 -0.246 0.000 0.803 565 E CB -0.205 29.404 29.700 -0.151 0.000 0.755 565 E HN 0.789 nan 8.360 nan 0.000 0.453 566 G N 1.287 109.701 108.800 -0.644 0.000 2.195 566 G HA2 -0.283 3.675 3.960 -0.003 0.000 0.246 566 G HA3 -0.283 3.675 3.960 -0.003 0.000 0.246 566 G C 0.172 174.720 174.900 -0.586 0.000 0.984 566 G CA 0.346 44.974 45.100 -0.786 0.000 0.633 566 G HN 0.328 nan 8.290 nan 0.000 0.525 567 I N -0.106 120.282 120.570 -0.304 0.000 2.828 567 I HA 0.522 4.690 4.170 -0.003 0.000 0.295 567 I C -1.236 174.946 176.117 0.109 0.000 1.459 567 I CA -1.100 60.178 61.300 -0.036 0.000 1.015 567 I CB 2.100 40.004 38.000 -0.159 0.000 1.345 567 I HN 0.031 nan 8.210 nan 0.000 0.449 568 V N 5.204 125.178 119.914 0.100 0.000 2.604 568 V HA 0.548 4.666 4.120 -0.003 0.000 0.305 568 V C -0.605 175.293 176.094 -0.326 0.000 1.043 568 V CA -0.618 61.649 62.300 -0.056 0.000 0.888 568 V CB 1.722 33.473 31.823 -0.120 0.000 0.995 568 V HN 0.664 nan 8.190 nan 0.000 0.429 569 E N 2.974 123.018 120.200 -0.260 0.000 2.199 569 E HA 0.626 4.974 4.350 -0.003 0.000 0.269 569 E C -1.549 174.907 176.600 -0.240 0.000 0.899 569 E CA -0.535 55.706 56.400 -0.265 0.000 0.772 569 E CB 2.107 31.794 29.700 -0.021 0.000 1.155 569 E HN 0.518 nan 8.360 nan 0.000 0.408 570 F N 2.647 122.641 119.950 0.073 0.000 2.403 570 F HA 0.417 4.942 4.527 -0.003 0.000 0.326 570 F C -1.798 174.036 175.800 0.056 0.000 1.081 570 F CA -2.652 55.379 58.000 0.053 0.000 1.041 570 F CB 0.275 39.296 39.000 0.034 0.000 1.234 570 F HN 0.252 nan 8.300 nan 0.000 0.503 571 P HA 0.318 nan 4.420 nan 0.000 0.286 571 P C -1.051 176.326 177.300 0.128 0.000 1.261 571 P CA -0.380 62.812 63.100 0.153 0.000 0.821 571 P CB 1.873 33.645 31.700 0.119 0.000 1.013 572 V N 2.920 122.898 119.914 0.107 0.000 2.406 572 V HA 0.173 4.291 4.120 -0.003 0.000 0.272 572 V C 1.598 177.737 176.094 0.074 0.000 1.043 572 V CA 0.394 62.749 62.300 0.092 0.000 0.915 572 V CB 0.654 32.535 31.823 0.097 0.000 0.988 572 V HN 0.871 nan 8.190 nan 0.000 0.466 573 T N 1.068 115.659 114.554 0.061 0.000 3.608 573 T HA 0.050 4.398 4.350 -0.003 0.000 0.213 573 T C 1.039 175.773 174.700 0.056 0.000 0.897 573 T CA 0.699 62.830 62.100 0.052 0.000 1.533 573 T CB -0.154 68.737 68.868 0.038 0.000 1.504 573 T HN 0.601 nan 8.240 nan 0.000 0.446 574 D N 0.906 121.339 120.400 0.054 0.000 2.369 574 D HA 0.240 4.878 4.640 -0.003 0.000 0.211 574 D C 2.002 178.353 176.300 0.085 0.000 1.077 574 D CA 0.364 54.404 54.000 0.067 0.000 0.842 574 D CB -0.753 40.084 40.800 0.062 0.000 0.947 574 D HN 0.592 nan 8.370 nan 0.000 0.509 575 G N 1.054 109.899 108.800 0.075 0.000 2.475 575 G HA2 -0.240 3.718 3.960 -0.003 0.000 0.220 575 G HA3 -0.240 3.718 3.960 -0.003 0.000 0.220 575 G C 1.536 176.511 174.900 0.125 0.000 1.125 575 G CA 0.972 46.120 45.100 0.081 0.000 0.755 575 G HN 0.481 nan 8.290 nan 0.000 0.565 576 A N -0.132 122.762 122.820 0.123 0.000 2.238 576 A HA 0.192 4.510 4.320 -0.003 0.000 0.208 576 A C 1.471 179.135 177.584 0.134 0.000 1.177 576 A CA 1.135 53.253 52.037 0.136 0.000 0.804 576 A CB 0.089 19.161 19.000 0.120 0.000 0.823 576 A HN 0.225 nan 8.150 nan 0.000 0.482 577 D N -1.428 119.053 120.400 0.135 0.000 2.402 577 D HA 0.152 4.790 4.640 -0.003 0.000 0.216 577 D C -0.346 176.030 176.300 0.127 0.000 1.128 577 D CA -0.265 53.801 54.000 0.110 0.000 0.833 577 D CB -0.014 40.836 40.800 0.084 0.000 0.971 577 D HN 0.384 nan 8.370 nan 0.000 0.503 578 F N 1.955 121.915 119.950 0.017 0.000 2.504 578 F HA 0.164 4.689 4.527 -0.003 0.000 0.369 578 F C -0.197 175.593 175.800 -0.016 0.000 1.082 578 F CA -0.211 57.787 58.000 -0.003 0.000 1.216 578 F CB 0.654 39.647 39.000 -0.013 0.000 1.108 578 F HN -0.350 nan 8.300 nan 0.000 0.554 579 V N 7.770 127.201 119.914 -0.806 0.000 2.376 579 V HA 0.332 4.450 4.120 -0.003 0.000 0.287 579 V C 0.057 175.568 176.094 -0.972 0.000 1.015 579 V CA -1.002 60.906 62.300 -0.654 0.000 0.834 579 V CB 1.309 32.950 31.823 -0.302 0.000 1.001 579 V HN 0.729 nan 8.190 nan 0.000 0.428 580 R N 3.266 123.272 120.500 -0.823 0.000 2.570 580 R HA 0.172 4.510 4.340 -0.003 0.000 0.277 580 R C 0.029 176.197 176.300 -0.219 0.000 1.039 580 R CA 0.443 56.199 56.100 -0.573 0.000 1.065 580 R CB 0.027 30.150 30.300 -0.296 0.000 0.964 580 R HN 0.719 nan 8.270 nan 0.000 0.428 581 Y N 0.385 120.589 120.300 -0.161 0.000 4.907 581 Y HA -0.353 4.195 4.550 -0.003 0.000 0.246 581 Y C 1.306 177.220 175.900 0.024 0.000 0.968 581 Y CA 0.881 58.980 58.100 -0.001 0.000 1.961 581 Y CB -2.034 36.457 38.460 0.051 0.000 1.487 581 Y HN 0.798 nan 8.280 nan 0.000 0.575 582 A N 0.217 123.042 122.820 0.008 0.000 1.883 582 A HA -0.227 4.091 4.320 -0.003 0.000 0.217 582 A C 2.303 179.923 177.584 0.060 0.000 1.186 582 A CA 2.620 54.657 52.037 0.001 0.000 0.624 582 A CB -0.934 18.016 19.000 -0.082 0.000 0.822 582 A HN 0.828 nan 8.150 nan 0.000 0.444 583 S N -1.247 114.500 115.700 0.078 0.000 2.383 583 S HA -0.158 4.310 4.470 -0.003 0.000 0.227 583 S C 1.842 176.558 174.600 0.193 0.000 1.026 583 S CA 1.395 59.661 58.200 0.110 0.000 0.981 583 S CB -0.707 62.550 63.200 0.095 0.000 0.818 583 S HN 0.573 nan 8.310 nan 0.000 0.472 584 F N 2.912 122.927 119.950 0.108 0.000 2.134 584 F HA 0.090 4.615 4.527 -0.003 0.000 0.299 584 F C 2.590 178.503 175.800 0.189 0.000 1.097 584 F CA 1.477 59.580 58.000 0.172 0.000 1.264 584 F CB -0.482 38.678 39.000 0.267 0.000 1.001 584 F HN 0.139 nan 8.300 nan 0.000 0.479 585 R N 0.418 120.907 120.500 -0.018 0.000 2.075 585 R HA -0.188 4.150 4.340 -0.003 0.000 0.232 585 R C 2.413 178.712 176.300 -0.002 0.000 1.126 585 R CA 1.718 57.699 56.100 -0.198 0.000 0.963 585 R CB -0.549 29.666 30.300 -0.142 0.000 0.858 585 R HN 0.507 nan 8.270 nan 0.000 0.435 586 E N -0.225 119.992 120.200 0.029 0.000 2.058 586 E HA -0.203 4.145 4.350 -0.003 0.000 0.194 586 E C -0.343 176.282 176.600 0.041 0.000 0.997 586 E CA 1.363 57.786 56.400 0.039 0.000 0.801 586 E CB 0.182 29.904 29.700 0.038 0.000 0.746 586 E HN 0.116 nan 8.360 nan 0.000 0.450 587 D N -1.514 118.913 120.400 0.046 0.000 2.351 587 D HA 0.098 4.736 4.640 -0.003 0.000 0.235 587 D C -2.213 174.114 176.300 0.044 0.000 1.331 587 D CA -1.517 52.500 54.000 0.029 0.000 0.959 587 D CB 1.524 42.344 40.800 0.033 0.000 1.432 587 D HN -0.076 nan 8.370 nan 0.000 0.544 588 P HA -0.049 nan 4.420 nan 0.000 0.221 588 P C 1.761 179.116 177.300 0.092 0.000 1.150 588 P CA 0.421 63.531 63.100 0.017 0.000 0.800 588 P CB 0.754 32.320 31.700 -0.223 0.000 0.787 589 L N -1.404 119.834 121.223 0.025 0.000 2.109 589 L HA -0.073 4.265 4.340 -0.003 0.000 0.207 589 L C 2.631 179.534 176.870 0.053 0.000 1.086 589 L CA 0.850 55.709 54.840 0.032 0.000 0.760 589 L CB -0.871 41.187 42.059 -0.001 0.000 0.910 589 L HN -0.048 nan 8.230 nan 0.000 0.437 590 L N -0.617 120.638 121.223 0.054 0.000 2.209 590 L HA 0.053 4.391 4.340 -0.003 0.000 0.207 590 L C 0.715 177.634 176.870 0.082 0.000 1.094 590 L CA 1.245 56.119 54.840 0.056 0.000 0.790 590 L CB 0.063 42.149 42.059 0.045 0.000 0.932 590 L HN 0.245 nan 8.230 nan 0.000 0.447 591 N N 0.573 119.348 118.700 0.126 0.000 2.813 591 N HA 0.306 5.044 4.740 -0.003 0.000 0.282 591 N C -2.618 173.059 175.510 0.279 0.000 1.748 591 N CA -1.011 52.140 53.050 0.168 0.000 0.860 591 N CB 0.758 39.351 38.487 0.176 0.000 1.204 591 N HN 0.170 nan 8.380 nan 0.000 0.490 592 P HA 0.260 nan 4.420 nan 0.000 0.278 592 P C 0.354 177.713 177.300 0.099 0.000 1.258 592 P CA -0.426 62.832 63.100 0.264 0.000 0.811 592 P CB 1.538 33.342 31.700 0.174 0.000 1.063 593 L N -0.006 121.194 121.223 -0.038 0.000 2.466 593 L HA 0.348 4.686 4.340 -0.003 0.000 0.257 593 L C 1.871 178.717 176.870 -0.040 0.000 1.189 593 L CA -0.391 54.373 54.840 -0.126 0.000 0.813 593 L CB -0.215 41.694 42.059 -0.250 0.000 1.118 593 L HN 0.490 nan 8.230 nan 0.000 0.471 594 G N 0.105 108.879 108.800 -0.044 0.000 3.452 594 G HA2 0.168 4.126 3.960 -0.003 0.000 0.258 594 G HA3 0.168 4.126 3.960 -0.003 0.000 0.258 594 G C 0.409 175.286 174.900 -0.038 0.000 1.305 594 G CA -0.154 44.925 45.100 -0.034 0.000 1.514 594 G HN 0.667 nan 8.290 nan 0.000 0.593 595 T N -3.315 111.225 114.554 -0.023 0.000 2.952 595 T HA 0.523 4.871 4.350 -0.003 0.000 0.286 595 T C -1.554 173.152 174.700 0.009 0.000 1.024 595 T CA -1.755 60.339 62.100 -0.011 0.000 1.029 595 T CB 2.434 71.305 68.868 0.005 0.000 1.094 595 T HN -0.155 nan 8.240 nan 0.000 0.515 596 P HA -0.141 nan 4.420 nan 0.000 0.215 596 P C 1.805 179.126 177.300 0.035 0.000 1.157 596 P CA 1.799 64.914 63.100 0.025 0.000 0.874 596 P CB -0.261 31.458 31.700 0.031 0.000 0.790 597 T N -5.577 109.007 114.554 0.049 0.000 3.043 597 T HA 0.220 4.568 4.350 -0.003 0.000 0.263 597 T C 1.613 176.353 174.700 0.067 0.000 1.094 597 T CA 0.810 62.945 62.100 0.059 0.000 1.127 597 T CB -0.892 68.022 68.868 0.077 0.000 0.905 597 T HN 0.272 nan 8.240 nan 0.000 0.490 598 G N 0.882 109.721 108.800 0.064 0.000 2.157 598 G HA2 -0.163 3.795 3.960 -0.003 0.000 0.248 598 G HA3 -0.163 3.795 3.960 -0.003 0.000 0.248 598 G C -0.140 174.843 174.900 0.139 0.000 0.979 598 G CA 0.304 45.454 45.100 0.082 0.000 0.650 598 G HN 0.641 nan 8.290 nan 0.000 0.529 599 L N -0.857 120.447 121.223 0.135 0.000 2.230 599 L HA 0.682 5.020 4.340 -0.003 0.000 0.255 599 L C 0.644 177.601 176.870 0.145 0.000 1.039 599 L CA -1.646 53.330 54.840 0.226 0.000 0.846 599 L CB 1.310 43.501 42.059 0.220 0.000 1.419 599 L HN -0.033 nan 8.230 nan 0.000 0.435 600 I N 1.120 121.818 120.570 0.213 0.000 2.505 600 I HA 0.004 4.172 4.170 -0.003 0.000 0.287 600 I C 0.154 176.373 176.117 0.170 0.000 1.104 600 I CA 0.357 61.752 61.300 0.157 0.000 1.387 600 I CB 0.170 38.298 38.000 0.213 0.000 1.404 600 I HN 0.417 nan 8.210 nan 0.000 0.528 601 E N 7.273 127.560 120.200 0.145 0.000 1.936 601 E HA 0.162 4.510 4.350 -0.003 0.000 0.267 601 E C 0.824 177.600 176.600 0.292 0.000 1.076 601 E CA -0.117 56.396 56.400 0.188 0.000 0.870 601 E CB 0.871 30.650 29.700 0.132 0.000 1.093 601 E HN 0.640 nan 8.360 nan 0.000 0.411 602 I N 1.883 122.622 120.570 0.282 0.000 2.439 602 I HA -0.175 3.993 4.170 -0.003 0.000 0.251 602 I C 0.655 176.941 176.117 0.282 0.000 1.139 602 I CA 0.950 62.391 61.300 0.235 0.000 1.438 602 I CB 0.131 38.211 38.000 0.133 0.000 1.085 602 I HN 0.412 nan 8.210 nan 0.000 0.427 603 Y N 0.395 120.818 120.300 0.204 0.000 2.364 603 Y HA 0.440 4.988 4.550 -0.003 0.000 0.340 603 Y C -0.087 175.950 175.900 0.227 0.000 0.975 603 Y CA -0.951 57.279 58.100 0.217 0.000 1.089 603 Y CB 1.590 40.138 38.460 0.147 0.000 1.192 603 Y HN -0.245 nan 8.280 nan 0.000 0.454 604 S N 5.834 121.422 115.700 -0.187 0.000 2.474 604 S HA 0.316 4.784 4.470 -0.003 0.000 0.321 604 S C 0.540 175.013 174.600 -0.212 0.000 1.080 604 S CA -0.677 57.463 58.200 -0.100 0.000 1.106 604 S CB 0.746 63.877 63.200 -0.115 0.000 0.984 604 S HN 0.948 nan 8.310 nan 0.000 0.464 605 K N 3.438 123.847 120.400 0.016 0.000 2.097 605 K HA -0.094 4.224 4.320 -0.003 0.000 0.206 605 K C 1.947 178.520 176.600 -0.046 0.000 1.049 605 K CA 0.984 57.307 56.287 0.060 0.000 0.933 605 K CB -0.132 32.434 32.500 0.110 0.000 0.717 605 K HN 0.587 nan 8.250 nan 0.000 0.442 606 N N 1.142 119.799 118.700 -0.072 0.000 2.069 606 N HA -0.157 4.581 4.740 -0.003 0.000 0.191 606 N C 1.792 177.166 175.510 -0.227 0.000 1.031 606 N CA 1.322 54.303 53.050 -0.116 0.000 0.852 606 N CB -0.029 38.414 38.487 -0.073 0.000 1.018 606 N HN 0.148 nan 8.380 nan 0.000 0.423 607 I N 0.984 121.370 120.570 -0.307 0.000 2.439 607 I HA -0.163 4.005 4.170 -0.003 0.000 0.251 607 I C 2.442 178.391 176.117 -0.280 0.000 1.139 607 I CA 0.648 61.736 61.300 -0.353 0.000 1.438 607 I CB -0.274 37.514 38.000 -0.354 0.000 1.085 607 I HN 0.230 nan 8.210 nan 0.000 0.427 608 E N 1.755 121.814 120.200 -0.234 0.000 2.058 608 E HA -0.283 4.065 4.350 -0.003 0.000 0.194 608 E C 1.997 178.509 176.600 -0.145 0.000 0.997 608 E CA 1.564 57.867 56.400 -0.161 0.000 0.801 608 E CB 0.083 29.750 29.700 -0.055 0.000 0.746 608 E HN 0.359 nan 8.360 nan 0.000 0.450 609 K N -0.288 120.029 120.400 -0.139 0.000 2.360 609 K HA -0.081 4.237 4.320 -0.003 0.000 0.201 609 K C 1.995 178.463 176.600 -0.219 0.000 1.046 609 K CA 1.088 57.292 56.287 -0.138 0.000 0.945 609 K CB 0.009 32.447 32.500 -0.103 0.000 0.750 609 K HN 0.250 nan 8.250 nan 0.000 0.464 610 M N -0.962 118.430 119.600 -0.348 0.000 2.319 610 M HA 0.050 4.528 4.480 -0.003 0.000 0.265 610 M C 1.158 177.103 176.300 -0.592 0.000 1.068 610 M CA 1.062 56.004 55.300 -0.597 0.000 1.118 610 M CB -0.030 31.981 32.600 -0.982 0.000 1.395 610 M HN 0.294 nan 8.290 nan 0.000 0.435 611 G N 0.929 109.507 108.800 -0.370 0.000 2.273 611 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.280 611 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.280 611 G C -0.704 174.145 174.900 -0.085 0.000 1.047 611 G CA -0.238 44.748 45.100 -0.190 0.000 0.869 611 G HN 0.390 nan 8.290 nan 0.000 0.502 612 Y N 0.956 121.221 120.300 -0.058 0.000 2.365 612 Y HA 0.287 4.835 4.550 -0.004 0.000 0.340 612 Y C 1.737 177.609 175.900 -0.045 0.000 1.016 612 Y CA -1.473 56.600 58.100 -0.044 0.000 1.196 612 Y CB 0.910 39.342 38.460 -0.047 0.000 1.167 612 Y HN 0.324 nan 8.280 nan 0.000 0.509 613 D N 0.717 121.198 120.400 0.136 0.000 2.123 613 D HA -0.220 4.417 4.640 -0.003 0.000 0.196 613 D C 0.624 176.937 176.300 0.022 0.000 0.992 613 D CA 1.676 55.707 54.000 0.052 0.000 0.833 613 D CB -0.362 40.468 40.800 0.049 0.000 0.954 613 D HN 0.630 nan 8.370 nan 0.000 0.455 614 D N -0.917 119.520 120.400 0.062 0.000 2.325 614 D HA 0.053 4.690 4.640 -0.003 0.000 0.225 614 D C -0.205 176.126 176.300 0.052 0.000 1.096 614 D CA -0.627 53.409 54.000 0.060 0.000 0.844 614 D CB -0.652 40.247 40.800 0.165 0.000 0.925 614 D HN 0.203 nan 8.370 nan 0.000 0.513 615 C N 1.209 120.543 119.300 0.057 0.000 3.384 615 C HA 0.374 4.832 4.460 -0.003 0.000 0.294 615 C C -2.650 172.354 174.990 0.024 0.000 1.062 615 C CA -1.471 57.590 59.018 0.072 0.000 1.325 615 C CB -0.480 27.341 27.740 0.135 0.000 1.793 615 C HN 0.073 nan 8.230 nan 0.000 0.563 616 P HA 0.201 nan 4.420 nan 0.000 0.272 616 P C 0.373 177.564 177.300 -0.181 0.000 1.254 616 P CA 0.221 63.194 63.100 -0.212 0.000 0.795 616 P CB 0.703 32.151 31.700 -0.420 0.000 1.022 617 A N -0.104 122.530 122.820 -0.310 0.000 2.278 617 A HA 0.125 4.443 4.320 -0.003 0.000 0.212 617 A C 0.227 177.581 177.584 -0.383 0.000 1.213 617 A CA 0.818 52.632 52.037 -0.371 0.000 0.840 617 A CB -1.317 17.238 19.000 -0.741 0.000 0.866 617 A HN 0.795 nan 8.150 nan 0.000 0.489 618 H N -4.654 114.148 119.070 -0.446 0.000 3.042 618 H HA 0.580 5.134 4.556 -0.003 0.000 0.346 618 H C -3.660 171.009 175.328 -1.099 0.000 1.294 618 H CA -2.725 52.872 56.048 -0.753 0.000 1.141 618 H CB -0.039 29.622 29.762 -0.168 0.000 1.872 618 H HN -0.170 nan 8.280 nan 0.000 0.541 619 P HA 0.142 nan 4.420 nan 0.000 0.261 619 P C -0.679 176.518 177.300 -0.172 0.000 1.183 619 P CA 0.440 63.087 63.100 -0.755 0.000 0.761 619 P CB 0.402 31.684 31.700 -0.696 0.000 0.785 620 T N 3.496 117.927 114.554 -0.205 0.000 2.933 620 T HA 0.269 4.617 4.350 -0.003 0.000 0.305 620 T C -1.289 173.476 174.700 0.108 0.000 1.092 620 T CA -0.593 61.420 62.100 -0.146 0.000 1.008 620 T CB 1.193 69.795 68.868 -0.444 0.000 1.102 620 T HN 0.404 nan 8.240 nan 0.000 0.469 621 W N 5.331 126.749 121.300 0.197 0.000 2.287 621 W HA 0.647 5.304 4.660 -0.003 0.000 0.313 621 W C -1.604 174.965 176.519 0.083 0.000 1.267 621 W CA -0.631 56.832 57.345 0.196 0.000 1.201 621 W CB 0.458 30.155 29.460 0.395 0.000 1.196 621 W HN 0.556 nan 8.180 nan 0.000 0.536 622 M N 4.641 123.624 119.600 -1.028 0.000 2.446 622 M HA 0.129 4.607 4.480 -0.003 0.000 0.294 622 M C -0.296 175.381 176.300 -1.039 0.000 1.158 622 M CA -0.777 53.986 55.300 -0.894 0.000 0.899 622 M CB 2.581 34.626 32.600 -0.926 0.000 1.687 622 M HN 0.256 nan 8.290 nan 0.000 0.455 623 E N 4.019 123.909 120.200 -0.516 0.000 2.324 623 E HA 0.244 4.592 4.350 -0.003 0.000 0.271 623 E C -2.260 174.303 176.600 -0.061 0.000 1.028 623 E CA -1.227 55.026 56.400 -0.246 0.000 0.890 623 E CB 0.340 30.034 29.700 -0.011 0.000 1.004 623 E HN 0.296 nan 8.360 nan 0.000 0.431 624 P HA 0.018 nan 4.420 nan 0.000 0.274 624 P C 1.026 178.502 177.300 0.292 0.000 1.256 624 P CA -0.526 62.689 63.100 0.191 0.000 0.795 624 P CB 0.888 32.679 31.700 0.152 0.000 1.038 625 L N -0.183 121.290 121.223 0.416 0.000 1.997 625 L HA -0.149 4.189 4.340 -0.003 0.000 0.216 625 L C 0.881 177.809 176.870 0.097 0.000 1.074 625 L CA 2.035 56.938 54.840 0.105 0.000 0.763 625 L CB -0.691 41.284 42.059 -0.139 0.000 0.890 625 L HN 0.655 nan 8.230 nan 0.000 0.434 626 E N -0.974 119.294 120.200 0.113 0.000 2.343 626 E HA 0.520 4.868 4.350 -0.003 0.000 0.278 626 E C -0.988 175.706 176.600 0.157 0.000 0.910 626 E CA -1.003 55.468 56.400 0.119 0.000 0.757 626 E CB 1.620 31.380 29.700 0.101 0.000 1.218 626 E HN 0.391 nan 8.360 nan 0.000 0.435 627 R N 1.505 122.102 120.500 0.162 0.000 2.710 627 R HA 0.452 4.790 4.340 -0.003 0.000 0.270 627 R C -1.398 174.997 176.300 0.159 0.000 1.021 627 R CA -1.130 55.084 56.100 0.189 0.000 0.889 627 R CB 1.007 31.423 30.300 0.194 0.000 1.243 627 R HN 0.509 nan 8.270 nan 0.000 0.464 628 L N 3.010 124.327 121.223 0.158 0.000 2.584 628 L HA 0.132 4.470 4.340 -0.003 0.000 0.272 628 L C -0.502 176.411 176.870 0.072 0.000 1.195 628 L CA 1.167 56.075 54.840 0.113 0.000 0.920 628 L CB -0.298 41.816 42.059 0.092 0.000 1.173 628 L HN 0.824 nan 8.230 nan 0.000 0.489 629 D N 2.338 122.773 120.400 0.058 0.000 2.945 629 D HA -0.162 4.476 4.640 -0.003 0.000 0.225 629 D C 0.404 176.731 176.300 0.046 0.000 1.158 629 D CA 1.219 55.240 54.000 0.035 0.000 0.805 629 D CB -1.528 39.277 40.800 0.008 0.000 1.098 629 D HN 0.887 nan 8.370 nan 0.000 0.426 630 G N 0.457 109.300 108.800 0.072 0.000 2.476 630 G HA2 0.517 4.475 3.960 -0.003 0.000 0.269 630 G HA3 0.517 4.475 3.960 -0.003 0.000 0.269 630 G C -2.230 172.711 174.900 0.068 0.000 1.195 630 G CA -0.987 44.167 45.100 0.090 0.000 0.843 630 G HN -0.087 nan 8.290 nan 0.000 0.545 631 P HA 0.097 nan 4.420 nan 0.000 0.261 631 P C 0.962 178.291 177.300 0.047 0.000 1.183 631 P CA 1.237 64.369 63.100 0.055 0.000 0.761 631 P CB 0.759 32.498 31.700 0.065 0.000 0.785 632 G N 2.407 111.225 108.800 0.030 0.000 2.166 632 G HA2 -0.226 3.732 3.960 -0.003 0.000 0.260 632 G HA3 -0.226 3.732 3.960 -0.003 0.000 0.260 632 G C 0.473 175.381 174.900 0.013 0.000 0.986 632 G CA 0.090 45.200 45.100 0.018 0.000 0.683 632 G HN 0.911 nan 8.290 nan 0.000 0.527 633 A N -0.217 122.618 122.820 0.024 0.000 2.548 633 A HA 0.506 4.824 4.320 -0.003 0.000 0.247 633 A C 1.370 178.940 177.584 -0.024 0.000 1.067 633 A CA 1.575 53.630 52.037 0.029 0.000 0.757 633 A CB 0.272 19.304 19.000 0.054 0.000 0.996 633 A HN 0.681 nan 8.150 nan 0.000 0.504 634 K N 1.896 122.258 120.400 -0.063 0.000 2.116 634 K HA -0.001 4.317 4.320 -0.003 0.000 0.203 634 K C -0.510 175.847 176.600 -0.405 0.000 1.052 634 K CA 0.925 57.056 56.287 -0.261 0.000 0.952 634 K CB -0.079 32.196 32.500 -0.376 0.000 0.729 634 K HN 0.731 nan 8.250 nan 0.000 0.446 635 Y N -0.135 120.165 120.300 0.000 0.000 2.457 635 Y HA 0.247 4.795 4.550 -0.003 0.000 0.333 635 Y C -1.681 174.216 175.900 -0.005 0.000 1.119 635 Y CA -2.444 55.644 58.100 -0.019 0.000 1.143 635 Y CB 1.468 39.899 38.460 -0.050 0.000 1.230 635 Y HN 0.011 nan 8.280 nan 0.000 0.469 636 P HA 0.119 nan 4.420 nan 0.000 0.238 636 P C -0.512 176.838 177.300 0.083 0.000 1.183 636 P CA 0.788 63.940 63.100 0.086 0.000 0.813 636 P CB 1.180 32.915 31.700 0.060 0.000 0.944 637 L N 0.067 121.340 121.223 0.082 0.000 2.329 637 L HA 0.444 4.782 4.340 -0.003 0.000 0.279 637 L C 0.172 177.094 176.870 0.086 0.000 1.014 637 L CA -1.112 53.771 54.840 0.072 0.000 0.814 637 L CB 1.511 43.591 42.059 0.035 0.000 1.257 637 L HN -0.075 nan 8.230 nan 0.000 0.424 638 H N 3.344 122.435 119.070 0.035 0.000 2.562 638 H HA 0.437 4.990 4.556 -0.003 0.000 0.314 638 H C -0.591 174.759 175.328 0.036 0.000 1.079 638 H CA -0.304 55.770 56.048 0.042 0.000 1.349 638 H CB 0.865 30.661 29.762 0.057 0.000 1.432 638 H HN 0.437 nan 8.280 nan 0.000 0.479 639 I N 5.114 125.453 120.570 -0.385 0.000 2.291 639 I HA 0.198 4.366 4.170 -0.003 0.000 0.292 639 I C 0.175 176.232 176.117 -0.101 0.000 1.064 639 I CA -0.603 60.590 61.300 -0.178 0.000 1.269 639 I CB 0.941 38.842 38.000 -0.165 0.000 1.418 639 I HN 0.727 nan 8.210 nan 0.000 0.485 640 A N 6.205 129.109 122.820 0.140 0.000 2.797 640 A HA 0.493 4.811 4.320 -0.003 0.000 0.296 640 A C 0.876 178.559 177.584 0.164 0.000 1.580 640 A CA -0.337 51.837 52.037 0.228 0.000 1.277 640 A CB -0.263 18.878 19.000 0.234 0.000 1.101 640 A HN 0.825 nan 8.150 nan 0.000 0.562 641 A N 3.213 126.127 122.820 0.157 0.000 3.091 641 A HA 0.497 4.815 4.320 -0.003 0.000 0.264 641 A C 1.063 178.815 177.584 0.279 0.000 1.673 641 A CA 0.188 52.330 52.037 0.174 0.000 1.362 641 A CB -0.959 18.103 19.000 0.104 0.000 1.137 641 A HN 1.031 nan 8.150 nan 0.000 0.617 642 S N 0.188 116.111 115.700 0.373 0.000 2.666 642 S HA 0.388 4.856 4.470 -0.003 0.000 0.279 642 S C 0.081 174.991 174.600 0.516 0.000 1.149 642 S CA -0.599 57.881 58.200 0.468 0.000 1.020 642 S CB 0.094 63.547 63.200 0.421 0.000 1.127 642 S HN 0.625 nan 8.310 nan 0.000 0.537 643 H N 2.215 121.387 119.070 0.170 0.000 2.610 643 H HA 0.299 4.853 4.556 -0.003 0.000 0.336 643 H C -2.204 172.861 175.328 -0.438 0.000 1.087 643 H CA -1.752 54.280 56.048 -0.026 0.000 1.405 643 H CB 0.659 30.409 29.762 -0.021 0.000 1.460 643 H HN 0.479 nan 8.280 nan 0.000 0.538 644 P HA -0.107 nan 4.420 nan 0.000 0.268 644 P C 0.255 177.198 177.300 -0.595 0.000 1.205 644 P CA 0.192 62.765 63.100 -0.878 0.000 0.771 644 P CB 0.781 32.302 31.700 -0.299 0.000 0.858 645 F N 3.277 122.794 119.950 -0.722 0.000 2.187 645 F HA -0.008 4.517 4.527 -0.003 0.000 0.295 645 F C 1.495 177.231 175.800 -0.107 0.000 1.091 645 F CA 1.408 59.255 58.000 -0.256 0.000 1.308 645 F CB 0.044 38.996 39.000 -0.080 0.000 1.030 645 F HN 0.246 nan 8.300 nan 0.000 0.487 646 N N 0.805 119.586 118.700 0.135 0.000 2.380 646 N HA 0.174 4.912 4.740 -0.003 0.000 0.255 646 N C -0.588 174.999 175.510 0.128 0.000 1.158 646 N CA 0.143 53.294 53.050 0.168 0.000 0.878 646 N CB 0.473 39.096 38.487 0.226 0.000 1.138 646 N HN 0.239 nan 8.380 nan 0.000 0.509 647 R N 0.158 120.702 120.500 0.073 0.000 2.739 647 R HA 0.358 4.696 4.340 -0.003 0.000 0.271 647 R C -1.388 174.968 176.300 0.094 0.000 1.010 647 R CA -0.881 55.303 56.100 0.139 0.000 0.897 647 R CB 1.824 32.176 30.300 0.087 0.000 1.236 647 R HN -0.060 nan 8.270 nan 0.000 0.466 648 L N 3.435 124.763 121.223 0.174 0.000 2.321 648 L HA 0.317 4.655 4.340 -0.003 0.000 0.272 648 L C 0.162 176.963 176.870 -0.115 0.000 1.050 648 L CA 0.429 55.179 54.840 -0.150 0.000 0.893 648 L CB -0.475 41.417 42.059 -0.279 0.000 1.272 648 L HN 0.681 nan 8.230 nan 0.000 0.435 649 H N 1.569 120.587 119.070 -0.087 0.000 1.452 649 H HA -0.286 4.268 4.556 -0.003 0.000 0.090 649 H C 1.467 176.867 175.328 0.119 0.000 0.623 649 H CA 1.829 57.847 56.048 -0.050 0.000 1.901 649 H CB -1.638 28.090 29.762 -0.057 0.000 2.257 649 H HN 0.659 nan 8.280 nan 0.000 0.961 650 S N 2.749 118.687 115.700 0.397 0.000 2.503 650 S HA 0.064 4.532 4.470 -0.003 0.000 0.217 650 S C 0.592 175.511 174.600 0.532 0.000 0.999 650 S CA 0.303 58.806 58.200 0.504 0.000 0.914 650 S CB 0.215 63.761 63.200 0.578 0.000 0.782 650 S HN 0.426 nan 8.310 nan 0.000 0.520 651 Q N 1.211 121.280 119.800 0.448 0.000 2.315 651 Q HA 0.287 4.625 4.340 -0.003 0.000 0.289 651 Q C 0.221 176.447 176.000 0.376 0.000 1.044 651 Q CA 0.637 56.725 55.803 0.475 0.000 0.920 651 Q CB 0.247 29.327 28.738 0.571 0.000 1.214 651 Q HN 0.526 nan 8.270 nan 0.000 0.392 652 L N 0.541 121.939 121.223 0.292 0.000 4.793 652 L HA -0.299 4.039 4.340 -0.003 0.000 0.404 652 L C 1.142 177.996 176.870 -0.027 0.000 1.022 652 L CA 0.065 54.977 54.840 0.120 0.000 1.242 652 L CB -1.462 40.655 42.059 0.096 0.000 2.049 652 L HN 0.637 nan 8.230 nan 0.000 0.637 653 N N 1.627 120.214 118.700 -0.188 0.000 2.188 653 N HA -0.032 4.706 4.740 -0.003 0.000 0.184 653 N C 1.404 176.495 175.510 -0.697 0.000 1.018 653 N CA 1.771 54.534 53.050 -0.478 0.000 0.858 653 N CB 0.053 37.993 38.487 -0.912 0.000 0.989 653 N HN 0.479 nan 8.380 nan 0.000 0.426 654 G N 0.057 108.418 108.800 -0.733 0.000 3.943 654 G HA2 0.298 4.256 3.960 -0.003 0.000 0.275 654 G HA3 0.298 4.256 3.960 -0.003 0.000 0.275 654 G C -0.228 174.574 174.900 -0.163 0.000 1.234 654 G CA 0.106 44.969 45.100 -0.395 0.000 1.522 654 G HN 0.399 nan 8.290 nan 0.000 0.636 655 T N -3.703 110.718 114.554 -0.223 0.000 2.778 655 T HA 0.381 4.729 4.350 -0.003 0.000 0.293 655 T C 1.426 176.002 174.700 -0.207 0.000 1.144 655 T CA 0.147 62.158 62.100 -0.147 0.000 1.010 655 T CB 1.291 70.094 68.868 -0.109 0.000 1.325 655 T HN 0.406 nan 8.240 nan 0.000 0.515 656 V N 0.046 119.862 119.914 -0.164 0.000 2.720 656 V HA 0.011 4.129 4.120 -0.003 0.000 0.256 656 V C 2.409 178.388 176.094 -0.191 0.000 1.082 656 V CA 1.225 63.422 62.300 -0.172 0.000 1.101 656 V CB -1.610 30.133 31.823 -0.134 0.000 0.693 656 V HN 0.777 nan 8.190 nan 0.000 0.479 657 L N 0.053 121.178 121.223 -0.163 0.000 2.127 657 L HA -0.161 4.177 4.340 -0.003 0.000 0.211 657 L C 2.941 179.620 176.870 -0.319 0.000 1.089 657 L CA 2.170 56.937 54.840 -0.122 0.000 0.757 657 L CB -0.733 41.336 42.059 0.018 0.000 0.899 657 L HN 0.333 nan 8.230 nan 0.000 0.434 658 R N 0.688 120.893 120.500 -0.492 0.000 2.152 658 R HA -0.240 4.098 4.340 -0.003 0.000 0.232 658 R C 2.124 177.927 176.300 -0.828 0.000 1.117 658 R CA 1.587 57.122 56.100 -0.942 0.000 0.981 658 R CB -0.008 29.855 30.300 -0.728 0.000 0.870 658 R HN 0.289 nan 8.270 nan 0.000 0.451 659 E N -0.372 119.540 120.200 -0.480 0.000 2.153 659 E HA -0.098 4.250 4.350 -0.003 0.000 0.194 659 E C 1.615 178.063 176.600 -0.253 0.000 0.988 659 E CA 1.645 57.860 56.400 -0.310 0.000 0.811 659 E CB -0.403 29.169 29.700 -0.213 0.000 0.746 659 E HN 0.456 nan 8.360 nan 0.000 0.466 660 G N -1.105 107.542 108.800 -0.254 0.000 2.650 660 G HA2 -0.164 3.794 3.960 -0.003 0.000 0.214 660 G HA3 -0.164 3.794 3.960 -0.003 0.000 0.214 660 G C 0.948 175.839 174.900 -0.015 0.000 1.136 660 G CA 0.994 46.031 45.100 -0.104 0.000 0.789 660 G HN 0.516 nan 8.290 nan 0.000 0.536 661 Y N -2.124 118.179 120.300 0.004 0.000 2.437 661 Y HA 0.703 5.251 4.550 -0.003 0.000 0.266 661 Y C 1.150 177.072 175.900 0.037 0.000 1.077 661 Y CA -1.041 57.078 58.100 0.031 0.000 1.235 661 Y CB -0.408 38.095 38.460 0.071 0.000 1.303 661 Y HN 0.145 nan 8.280 nan 0.000 0.536 662 A N 1.597 124.370 122.820 -0.078 0.000 2.425 662 A HA 0.532 4.850 4.320 -0.003 0.000 0.242 662 A C -0.422 177.196 177.584 0.056 0.000 1.077 662 A CA -0.068 52.000 52.037 0.052 0.000 0.781 662 A CB 0.261 19.239 19.000 -0.036 0.000 1.020 662 A HN 0.230 nan 8.150 nan 0.000 0.494 663 V N 3.521 123.492 119.914 0.096 0.000 2.349 663 V HA 0.295 4.413 4.120 -0.003 0.000 0.284 663 V C 0.057 176.233 176.094 0.137 0.000 1.014 663 V CA -0.253 62.101 62.300 0.090 0.000 0.826 663 V CB 0.391 32.262 31.823 0.081 0.000 1.009 663 V HN 1.038 nan 8.190 nan 0.000 0.431 664 Q N 3.315 123.177 119.800 0.103 0.000 2.494 664 Q HA -0.262 4.076 4.340 -0.003 0.000 0.272 664 Q C 1.257 177.295 176.000 0.063 0.000 1.145 664 Q CA 0.909 56.788 55.803 0.128 0.000 0.943 664 Q CB -1.416 27.449 28.738 0.211 0.000 1.338 664 Q HN 1.606 nan 8.270 nan 0.000 0.492 665 G N -0.926 107.864 108.800 -0.016 0.000 2.199 665 G HA2 -0.290 3.668 3.960 -0.003 0.000 0.254 665 G HA3 -0.290 3.668 3.960 -0.003 0.000 0.254 665 G C 0.062 174.913 174.900 -0.080 0.000 0.982 665 G CA 0.583 45.627 45.100 -0.095 0.000 0.632 665 G HN 0.579 nan 8.290 nan 0.000 0.529 666 H N 0.283 119.404 119.070 0.086 0.000 2.544 666 H HA 0.558 5.111 4.556 -0.003 0.000 0.342 666 H C 0.280 175.504 175.328 -0.173 0.000 1.185 666 H CA -0.422 55.577 56.048 -0.082 0.000 1.264 666 H CB 1.437 31.128 29.762 -0.118 0.000 1.607 666 H HN 0.259 nan 8.280 nan 0.000 0.550 667 E N 2.861 122.791 120.200 -0.450 0.000 2.414 667 E HA 0.071 4.419 4.350 -0.003 0.000 0.263 667 E C -2.295 174.303 176.600 -0.003 0.000 1.000 667 E CA -1.360 54.942 56.400 -0.164 0.000 0.914 667 E CB 0.310 29.832 29.700 -0.296 0.000 0.948 667 E HN 0.254 nan 8.360 nan 0.000 0.444 668 P HA 0.043 nan 4.420 nan 0.000 0.274 668 P C -0.760 176.527 177.300 -0.021 0.000 1.231 668 P CA -0.449 62.680 63.100 0.049 0.000 0.790 668 P CB 0.864 32.616 31.700 0.087 0.000 0.951 669 C N 4.856 124.138 119.300 -0.029 0.000 2.381 669 C HA 0.479 4.937 4.460 -0.003 0.000 0.328 669 C C -0.356 174.610 174.990 -0.040 0.000 1.190 669 C CA -0.770 58.219 59.018 -0.048 0.000 1.369 669 C CB -0.838 26.881 27.740 -0.034 0.000 2.029 669 C HN 0.425 nan 8.230 nan 0.000 0.448 670 L N 6.628 127.815 121.223 -0.060 0.000 2.281 670 L HA 0.502 4.840 4.340 -0.003 0.000 0.285 670 L C 0.163 177.035 176.870 0.003 0.000 1.074 670 L CA 0.235 55.056 54.840 -0.033 0.000 0.817 670 L CB 1.065 43.096 42.059 -0.046 0.000 1.168 670 L HN 0.708 nan 8.230 nan 0.000 0.434 671 M N 3.164 122.776 119.600 0.019 0.000 2.457 671 M HA 0.358 4.836 4.480 -0.003 0.000 0.300 671 M C -0.589 175.756 176.300 0.076 0.000 1.141 671 M CA -0.665 54.667 55.300 0.053 0.000 0.901 671 M CB 2.263 34.889 32.600 0.043 0.000 1.687 671 M HN 0.538 nan 8.290 nan 0.000 0.449 672 H N 5.207 124.286 119.070 0.017 0.000 2.732 672 H HA 0.220 4.774 4.556 -0.003 0.000 0.351 672 H C -2.004 173.334 175.328 0.016 0.000 1.090 672 H CA -0.808 55.251 56.048 0.018 0.000 1.431 672 H CB 1.368 31.142 29.762 0.021 0.000 1.447 672 H HN 0.476 nan 8.280 nan 0.000 0.582 673 P HA -0.168 nan 4.420 nan 0.000 0.216 673 P C 0.790 178.179 177.300 0.148 0.000 1.150 673 P CA 1.253 64.352 63.100 -0.001 0.000 0.843 673 P CB 0.464 32.100 31.700 -0.107 0.000 0.787 674 D N -0.346 120.281 120.400 0.378 0.000 2.117 674 D HA -0.124 4.514 4.640 -0.003 0.000 0.198 674 D C 1.642 178.019 176.300 0.129 0.000 0.982 674 D CA 1.027 55.158 54.000 0.217 0.000 0.828 674 D CB -0.741 40.156 40.800 0.163 0.000 0.967 674 D HN 0.169 nan 8.370 nan 0.000 0.464 675 D N 0.142 120.629 120.400 0.144 0.000 2.224 675 D HA -0.025 4.613 4.640 -0.003 0.000 0.205 675 D C 1.900 178.242 176.300 0.072 0.000 0.965 675 D CA 0.745 54.793 54.000 0.079 0.000 0.852 675 D CB 0.056 40.898 40.800 0.071 0.000 0.947 675 D HN 0.133 nan 8.370 nan 0.000 0.494 676 A N 1.159 124.027 122.820 0.080 0.000 1.874 676 A HA 0.100 4.418 4.320 -0.003 0.000 0.214 676 A C 2.332 179.945 177.584 0.047 0.000 1.189 676 A CA 1.599 53.669 52.037 0.055 0.000 0.615 676 A CB -0.584 18.443 19.000 0.045 0.000 0.830 676 A HN 0.195 nan 8.150 nan 0.000 0.443 677 A N 0.282 123.133 122.820 0.052 0.000 1.873 677 A HA 0.052 4.370 4.320 -0.003 0.000 0.218 677 A C 2.521 180.127 177.584 0.037 0.000 1.193 677 A CA 2.476 54.538 52.037 0.041 0.000 0.629 677 A CB -1.229 17.798 19.000 0.044 0.000 0.826 677 A HN 1.181 nan 8.150 nan 0.000 0.447 678 A N -0.713 122.130 122.820 0.039 0.000 1.986 678 A HA -0.184 4.134 4.320 -0.003 0.000 0.220 678 A C 2.151 179.754 177.584 0.033 0.000 1.171 678 A CA 1.822 53.879 52.037 0.033 0.000 0.640 678 A CB -0.362 18.657 19.000 0.031 0.000 0.811 678 A HN 0.551 nan 8.150 nan 0.000 0.451 679 R N -1.620 118.903 120.500 0.037 0.000 2.334 679 R HA 0.284 4.622 4.340 -0.003 0.000 0.216 679 R C 0.958 177.278 176.300 0.034 0.000 0.905 679 R CA 0.491 56.614 56.100 0.039 0.000 1.064 679 R CB 0.116 30.443 30.300 0.045 0.000 1.046 679 R HN 0.610 nan 8.270 nan 0.000 0.508 680 G N 1.864 110.682 108.800 0.030 0.000 2.314 680 G HA2 -0.275 3.683 3.960 -0.003 0.000 0.292 680 G HA3 -0.275 3.683 3.960 -0.003 0.000 0.292 680 G C -0.097 174.819 174.900 0.026 0.000 1.059 680 G CA 0.020 45.135 45.100 0.025 0.000 0.982 680 G HN 0.269 nan 8.290 nan 0.000 0.505 681 I N 0.668 121.256 120.570 0.029 0.000 2.354 681 I HA 0.620 4.788 4.170 -0.003 0.000 0.292 681 I C 0.630 176.762 176.117 0.025 0.000 0.989 681 I CA -0.569 60.749 61.300 0.030 0.000 1.188 681 I CB 1.740 39.760 38.000 0.034 0.000 1.342 681 I HN 0.367 nan 8.210 nan 0.000 0.457 682 A N 4.323 127.157 122.820 0.023 0.000 2.320 682 A HA 0.375 4.693 4.320 -0.003 0.000 0.334 682 A C -0.632 176.963 177.584 0.018 0.000 1.147 682 A CA -0.628 51.420 52.037 0.018 0.000 0.820 682 A CB 0.921 19.931 19.000 0.017 0.000 1.218 682 A HN 0.756 nan 8.150 nan 0.000 0.482 683 D N 0.435 120.843 120.400 0.014 0.000 2.487 683 D HA 0.366 5.004 4.640 -0.003 0.000 0.243 683 D C 1.321 177.632 176.300 0.018 0.000 1.154 683 D CA 2.178 56.185 54.000 0.013 0.000 0.876 683 D CB 0.170 40.974 40.800 0.007 0.000 1.161 683 D HN 1.251 nan 8.370 nan 0.000 0.478 684 G N 3.109 111.922 108.800 0.023 0.000 2.213 684 G HA2 -0.233 3.725 3.960 -0.003 0.000 0.226 684 G HA3 -0.233 3.725 3.960 -0.003 0.000 0.226 684 G C 0.055 174.978 174.900 0.038 0.000 0.992 684 G CA -0.033 45.085 45.100 0.031 0.000 0.632 684 G HN 0.618 nan 8.290 nan 0.000 0.511 685 D N 0.484 120.903 120.400 0.033 0.000 2.372 685 D HA 0.437 5.075 4.640 -0.003 0.000 0.243 685 D C 0.804 177.122 176.300 0.031 0.000 1.121 685 D CA -0.048 53.975 54.000 0.038 0.000 0.898 685 D CB 1.662 42.484 40.800 0.036 0.000 1.202 685 D HN 0.135 nan 8.370 nan 0.000 0.428 686 V N 2.317 122.253 119.914 0.037 0.000 2.530 686 V HA 0.264 4.382 4.120 -0.003 0.000 0.282 686 V C 0.490 176.588 176.094 0.006 0.000 1.048 686 V CA -0.289 61.994 62.300 -0.030 0.000 0.997 686 V CB 1.158 32.969 31.823 -0.020 0.000 0.987 686 V HN 0.363 nan 8.190 nan 0.000 0.477 687 V N 3.127 123.009 119.914 -0.054 0.000 3.074 687 V HA 0.701 4.819 4.120 -0.003 0.000 0.314 687 V C -0.413 175.669 176.094 -0.020 0.000 1.117 687 V CA -1.288 61.022 62.300 0.016 0.000 1.014 687 V CB 2.007 33.839 31.823 0.015 0.000 1.057 687 V HN 0.788 nan 8.190 nan 0.000 0.438 688 R N 1.339 121.883 120.500 0.073 0.000 2.295 688 R HA 0.736 5.074 4.340 -0.003 0.000 0.324 688 R C -1.516 174.861 176.300 0.128 0.000 0.968 688 R CA -0.418 55.726 56.100 0.072 0.000 0.837 688 R CB 1.642 32.034 30.300 0.154 0.000 1.133 688 R HN 0.773 nan 8.270 nan 0.000 0.450 689 V N 5.383 125.337 119.914 0.066 0.000 2.398 689 V HA 0.415 4.533 4.120 -0.003 0.000 0.286 689 V C -0.577 175.550 176.094 0.056 0.000 1.026 689 V CA -0.617 61.696 62.300 0.022 0.000 0.868 689 V CB 1.122 32.922 31.823 -0.038 0.000 0.982 689 V HN 1.004 nan 8.190 nan 0.000 0.443 690 H N 2.500 121.508 119.070 -0.105 0.000 3.014 690 H HA 0.846 5.400 4.556 -0.003 0.000 0.337 690 H C -0.782 174.340 175.328 -0.343 0.000 1.320 690 H CA -0.881 55.080 56.048 -0.145 0.000 1.128 690 H CB 1.711 31.437 29.762 -0.060 0.000 1.862 690 H HN 0.597 nan 8.280 nan 0.000 0.536 691 N N -0.526 117.979 118.700 -0.325 0.000 3.526 691 N HA 0.141 4.879 4.740 -0.003 0.000 0.328 691 N C -0.535 174.897 175.510 -0.129 0.000 1.601 691 N CA -0.594 52.020 53.050 -0.727 0.000 0.834 691 N CB -0.012 37.932 38.487 -0.906 0.000 1.983 691 N HN 0.558 nan 8.380 nan 0.000 0.579 692 D N -0.580 119.824 120.400 0.008 0.000 2.312 692 D HA 0.055 4.693 4.640 -0.003 0.000 0.211 692 D C 1.102 177.426 176.300 0.040 0.000 0.964 692 D CA 0.728 54.794 54.000 0.110 0.000 0.877 692 D CB 0.198 41.097 40.800 0.165 0.000 0.924 692 D HN 0.423 nan 8.370 nan 0.000 0.515 693 R N -0.196 120.297 120.500 -0.011 0.000 2.156 693 R HA 0.333 4.670 4.340 -0.003 0.000 0.207 693 R C 1.237 177.528 176.300 -0.016 0.000 1.040 693 R CA 0.543 56.630 56.100 -0.021 0.000 1.013 693 R CB 0.744 31.014 30.300 -0.049 0.000 0.931 693 R HN 0.052 nan 8.270 nan 0.000 0.465 694 G N 0.110 108.901 108.800 -0.014 0.000 2.430 694 G HA2 0.282 4.240 3.960 -0.003 0.000 0.300 694 G HA3 0.282 4.240 3.960 -0.003 0.000 0.300 694 G C -2.007 172.910 174.900 0.028 0.000 1.330 694 G CA -0.858 44.248 45.100 0.010 0.000 0.813 694 G HN 0.106 nan 8.290 nan 0.000 0.487 695 Q N -1.072 118.757 119.800 0.048 0.000 2.345 695 Q HA 0.751 5.089 4.340 -0.003 0.000 0.275 695 Q C -0.811 175.217 176.000 0.047 0.000 1.063 695 Q CA -1.061 54.781 55.803 0.065 0.000 0.819 695 Q CB 2.741 31.513 28.738 0.057 0.000 1.356 695 Q HN 1.154 nan 8.270 nan 0.000 0.418 696 I N -1.303 119.284 120.570 0.027 0.000 2.994 696 I HA 0.627 4.795 4.170 -0.003 0.000 0.306 696 I C -1.555 174.524 176.117 -0.063 0.000 1.195 696 I CA -1.593 59.711 61.300 0.005 0.000 1.001 696 I CB 2.035 40.052 38.000 0.027 0.000 1.244 696 I HN 0.617 nan 8.210 nan 0.000 0.437 697 L N 3.272 124.422 121.223 -0.121 0.000 2.309 697 L HA 0.675 5.013 4.340 -0.003 0.000 0.282 697 L C 0.046 176.776 176.870 -0.232 0.000 1.036 697 L CA -0.292 54.389 54.840 -0.265 0.000 0.806 697 L CB 1.926 43.719 42.059 -0.444 0.000 1.220 697 L HN 0.915 nan 8.230 nan 0.000 0.429 698 T N -0.882 113.526 114.554 -0.243 0.000 2.804 698 T HA 0.724 5.072 4.350 -0.003 0.000 0.290 698 T C -0.301 174.305 174.700 -0.156 0.000 1.099 698 T CA -0.785 61.220 62.100 -0.160 0.000 1.011 698 T CB 1.969 70.783 68.868 -0.089 0.000 1.291 698 T HN 0.616 nan 8.240 nan 0.000 0.523 699 G N 0.234 109.010 108.800 -0.041 0.000 2.557 699 G HA2 0.571 4.529 3.960 -0.003 0.000 0.310 699 G HA3 0.571 4.529 3.960 -0.003 0.000 0.310 699 G C -0.786 174.120 174.900 0.010 0.000 1.328 699 G CA -0.630 44.473 45.100 0.006 0.000 0.945 699 G HN 0.777 nan 8.290 nan 0.000 0.494 700 V N 2.169 122.087 119.914 0.007 0.000 2.614 700 V HA 0.291 4.409 4.120 -0.003 0.000 0.291 700 V C 0.319 176.422 176.094 0.014 0.000 1.049 700 V CA -0.033 62.272 62.300 0.008 0.000 1.038 700 V CB 1.318 33.148 31.823 0.011 0.000 0.980 700 V HN 0.641 nan 8.190 nan 0.000 0.481 701 K N 3.556 123.960 120.400 0.007 0.000 2.483 701 K HA 0.501 4.819 4.320 -0.003 0.000 0.256 701 K C -1.181 175.417 176.600 -0.003 0.000 0.961 701 K CA -0.544 55.746 56.287 0.005 0.000 0.873 701 K CB 1.978 34.480 32.500 0.004 0.000 1.107 701 K HN 0.468 nan 8.250 nan 0.000 0.432 702 V N 3.563 123.474 119.914 -0.005 0.000 2.455 702 V HA 0.273 4.391 4.120 -0.003 0.000 0.273 702 V C -0.060 176.012 176.094 -0.035 0.000 1.045 702 V CA 0.071 62.362 62.300 -0.016 0.000 0.976 702 V CB 0.882 32.697 31.823 -0.014 0.000 0.993 702 V HN 0.847 nan 8.190 nan 0.000 0.475 703 T N 1.927 116.449 114.554 -0.052 0.000 2.853 703 T HA 0.314 4.662 4.350 -0.003 0.000 0.311 703 T C -0.189 174.434 174.700 -0.128 0.000 1.307 703 T CA -0.629 61.429 62.100 -0.069 0.000 1.019 703 T CB 1.857 70.707 68.868 -0.030 0.000 1.264 703 T HN 0.718 nan 8.240 nan 0.000 0.497 704 D N -0.099 120.214 120.400 -0.144 0.000 2.388 704 D HA 0.295 4.933 4.640 -0.003 0.000 0.221 704 D C 1.515 177.828 176.300 0.021 0.000 1.133 704 D CA -0.262 53.635 54.000 -0.172 0.000 0.831 704 D CB -0.186 40.483 40.800 -0.219 0.000 0.962 704 D HN 0.546 nan 8.370 nan 0.000 0.502 705 A N 0.440 123.278 122.820 0.030 0.000 1.968 705 A HA 0.122 4.440 4.320 -0.003 0.000 0.217 705 A C 1.291 178.947 177.584 0.119 0.000 1.169 705 A CA 0.990 53.071 52.037 0.073 0.000 0.638 705 A CB -0.513 18.514 19.000 0.045 0.000 0.812 705 A HN 0.332 nan 8.150 nan 0.000 0.446 706 V N -0.960 119.021 119.914 0.113 0.000 2.567 706 V HA 0.561 4.679 4.120 -0.003 0.000 0.289 706 V C 0.186 176.397 176.094 0.194 0.000 1.049 706 V CA -0.935 61.447 62.300 0.137 0.000 0.969 706 V CB 0.739 32.626 31.823 0.107 0.000 0.995 706 V HN 0.571 nan 8.190 nan 0.000 0.471 707 M N 1.818 121.504 119.600 0.144 0.000 2.198 707 M HA 0.447 4.925 4.480 -0.003 0.000 0.315 707 M C 0.146 176.464 176.300 0.029 0.000 1.134 707 M CA -0.368 54.991 55.300 0.098 0.000 1.171 707 M CB 0.178 32.790 32.600 0.019 0.000 1.413 707 M HN 0.730 nan 8.290 nan 0.000 0.467 708 K N 0.757 121.056 120.400 -0.168 0.000 2.451 708 K HA 0.274 4.592 4.320 -0.003 0.000 0.280 708 K C 0.863 177.396 176.600 -0.113 0.000 1.020 708 K CA 1.477 57.574 56.287 -0.317 0.000 1.008 708 K CB 0.038 32.251 32.500 -0.478 0.000 0.917 708 K HN 0.945 nan 8.250 nan 0.000 0.478 709 G N 1.732 110.501 108.800 -0.053 0.000 2.195 709 G HA2 -0.211 3.747 3.960 -0.003 0.000 0.246 709 G HA3 -0.211 3.747 3.960 -0.003 0.000 0.246 709 G C -0.425 174.510 174.900 0.059 0.000 0.984 709 G CA 0.027 45.129 45.100 0.004 0.000 0.633 709 G HN 0.526 nan 8.290 nan 0.000 0.525 710 V N 2.363 122.318 119.914 0.068 0.000 2.604 710 V HA 0.756 4.873 4.120 -0.003 0.000 0.305 710 V C 0.481 176.635 176.094 0.098 0.000 1.043 710 V CA -0.487 61.884 62.300 0.117 0.000 0.888 710 V CB 1.802 33.697 31.823 0.119 0.000 0.995 710 V HN 0.687 nan 8.190 nan 0.000 0.429 711 I N 1.481 122.104 120.570 0.088 0.000 2.693 711 I HA 0.713 4.881 4.170 -0.003 0.000 0.303 711 I C -0.656 175.480 176.117 0.032 0.000 1.025 711 I CA -0.725 60.602 61.300 0.046 0.000 1.086 711 I CB 2.026 40.035 38.000 0.016 0.000 1.268 711 I HN 0.674 nan 8.210 nan 0.000 0.440 712 Q N 5.250 125.039 119.800 -0.017 0.000 2.357 712 Q HA 0.600 4.938 4.340 -0.003 0.000 0.266 712 Q C -1.800 174.107 176.000 -0.155 0.000 1.021 712 Q CA -0.595 55.161 55.803 -0.079 0.000 0.784 712 Q CB 1.688 30.343 28.738 -0.138 0.000 1.243 712 Q HN 0.801 nan 8.270 nan 0.000 0.465 713 I N 4.611 125.120 120.570 -0.101 0.000 2.448 713 I HA 0.245 4.413 4.170 -0.003 0.000 0.281 713 I C -0.966 175.170 176.117 0.031 0.000 1.027 713 I CA -0.829 60.429 61.300 -0.069 0.000 1.111 713 I CB 0.766 38.755 38.000 -0.018 0.000 1.236 713 I HN 0.556 nan 8.210 nan 0.000 0.452 714 Y N 4.021 124.364 120.300 0.073 0.000 2.578 714 Y HA 0.084 4.632 4.550 -0.003 0.000 0.339 714 Y C 1.015 176.972 175.900 0.096 0.000 1.231 714 Y CA -0.769 57.385 58.100 0.090 0.000 1.461 714 Y CB 0.336 38.837 38.460 0.069 0.000 1.323 714 Y HN 0.565 nan 8.280 nan 0.000 0.590 715 E N 0.013 120.382 120.200 0.282 0.000 2.392 715 E HA 0.457 4.805 4.350 -0.003 0.000 0.256 715 E C 1.046 177.761 176.600 0.193 0.000 1.145 715 E CA 0.125 56.635 56.400 0.183 0.000 0.929 715 E CB 0.318 30.087 29.700 0.115 0.000 0.998 715 E HN 0.753 nan 8.360 nan 0.000 0.442 716 G N 0.157 109.085 108.800 0.213 0.000 2.195 716 G HA2 -0.167 3.791 3.960 -0.003 0.000 0.224 716 G HA3 -0.167 3.791 3.960 -0.003 0.000 0.224 716 G C 0.499 175.641 174.900 0.403 0.000 0.990 716 G CA -0.300 44.969 45.100 0.281 0.000 0.639 716 G HN 0.942 nan 8.290 nan 0.000 0.514 717 G N -0.372 108.685 108.800 0.428 0.000 2.441 717 G HA2 0.355 4.313 3.960 -0.003 0.000 0.243 717 G HA3 0.355 4.313 3.960 -0.003 0.000 0.243 717 G C 0.114 175.426 174.900 0.687 0.000 1.281 717 G CA -0.241 45.241 45.100 0.636 0.000 0.854 717 G HN 0.269 nan 8.290 nan 0.000 0.560 718 W N 1.911 123.379 121.300 0.280 0.000 2.546 718 W HA 0.217 4.875 4.660 -0.003 0.000 0.323 718 W C 0.247 176.869 176.519 0.172 0.000 1.272 718 W CA -1.438 55.969 57.345 0.104 0.000 1.404 718 W CB -0.574 28.810 29.460 -0.126 0.000 1.411 718 W HN 0.450 nan 8.180 nan 0.000 0.480 719 Y N 4.178 124.632 120.300 0.257 0.000 2.865 719 Y HA -0.069 4.479 4.550 -0.003 0.000 0.338 719 Y C 0.201 176.168 175.900 0.113 0.000 1.269 719 Y CA 0.684 58.886 58.100 0.170 0.000 1.585 719 Y CB 0.103 38.620 38.460 0.095 0.000 1.224 719 Y HN 0.327 nan 8.280 nan 0.000 0.554 720 D N 9.275 129.566 120.400 -0.183 0.000 2.400 720 D HA 0.286 4.924 4.640 -0.003 0.000 0.272 720 D C -3.012 173.077 176.300 -0.352 0.000 1.220 720 D CA -2.208 51.624 54.000 -0.279 0.000 0.897 720 D CB 0.768 41.501 40.800 -0.112 0.000 1.134 720 D HN 0.261 nan 8.370 nan 0.000 0.507 721 P HA 0.057 nan 4.420 nan 0.000 0.267 721 P C 0.716 177.905 177.300 -0.184 0.000 1.205 721 P CA -0.139 62.724 63.100 -0.395 0.000 0.765 721 P CB 1.599 33.049 31.700 -0.417 0.000 0.828 722 S N 1.223 116.866 115.700 -0.095 0.000 2.359 722 S HA -0.129 4.339 4.470 -0.003 0.000 0.224 722 S C 0.772 175.339 174.600 -0.056 0.000 1.035 722 S CA 1.521 59.687 58.200 -0.056 0.000 1.018 722 S CB -0.348 62.841 63.200 -0.019 0.000 0.876 722 S HN 0.663 nan 8.310 nan 0.000 0.448 723 D N -0.134 120.240 120.400 -0.043 0.000 2.763 723 D HA 0.215 4.853 4.640 -0.003 0.000 0.235 723 D C 0.722 177.010 176.300 -0.019 0.000 1.334 723 D CA -0.364 53.615 54.000 -0.036 0.000 0.950 723 D CB 1.580 42.369 40.800 -0.018 0.000 1.433 723 D HN 0.011 nan 8.370 nan 0.000 0.580 724 V N 2.050 121.944 119.914 -0.034 0.000 2.594 724 V HA -0.092 4.026 4.120 -0.003 0.000 0.253 724 V C 1.757 177.870 176.094 0.031 0.000 1.069 724 V CA 2.244 64.548 62.300 0.007 0.000 1.082 724 V CB -1.390 30.411 31.823 -0.037 0.000 0.680 724 V HN 0.692 nan 8.190 nan 0.000 0.469 725 T N -1.560 113.000 114.554 0.009 0.000 3.129 725 T HA 0.070 4.418 4.350 -0.003 0.000 0.251 725 T C 0.729 175.444 174.700 0.025 0.000 1.117 725 T CA 0.534 62.644 62.100 0.018 0.000 1.034 725 T CB -0.343 68.527 68.868 0.003 0.000 0.968 725 T HN 0.780 nan 8.240 nan 0.000 0.526 726 E N 2.557 122.773 120.200 0.027 0.000 2.109 726 E HA 0.327 4.675 4.350 -0.003 0.000 0.278 726 E C -2.792 173.835 176.600 0.044 0.000 0.954 726 E CA -2.877 53.541 56.400 0.030 0.000 0.779 726 E CB 1.051 30.765 29.700 0.022 0.000 1.093 726 E HN 0.130 nan 8.360 nan 0.000 0.401 727 P HA 0.062 nan 4.420 nan 0.000 0.264 727 P C 0.341 177.670 177.300 0.048 0.000 1.193 727 P CA 0.779 63.907 63.100 0.047 0.000 0.763 727 P CB 0.655 32.377 31.700 0.037 0.000 0.810 728 G N 1.733 110.567 108.800 0.057 0.000 2.225 728 G HA2 -0.273 3.685 3.960 -0.003 0.000 0.267 728 G HA3 -0.273 3.685 3.960 -0.003 0.000 0.267 728 G C 0.550 175.489 174.900 0.065 0.000 1.024 728 G CA 0.370 45.504 45.100 0.057 0.000 0.784 728 G HN 0.757 nan 8.290 nan 0.000 0.507 729 T N -0.609 113.990 114.554 0.076 0.000 2.856 729 T HA 0.298 4.646 4.350 -0.003 0.000 0.329 729 T C 0.854 175.599 174.700 0.074 0.000 1.094 729 T CA 0.323 62.460 62.100 0.062 0.000 1.112 729 T CB 0.346 69.245 68.868 0.050 0.000 1.009 729 T HN 1.085 nan 8.240 nan 0.000 0.550 730 L N 3.735 124.985 121.223 0.046 0.000 2.380 730 L HA 0.361 4.699 4.340 -0.003 0.000 0.273 730 L C -0.009 176.884 176.870 0.039 0.000 1.138 730 L CA -0.270 54.593 54.840 0.038 0.000 0.832 730 L CB 0.815 42.876 42.059 0.005 0.000 1.124 730 L HN 0.616 nan 8.230 nan 0.000 0.454 731 D N 3.365 123.815 120.400 0.083 0.000 2.317 731 D HA 0.128 4.766 4.640 -0.003 0.000 0.252 731 D C 0.439 176.775 176.300 0.059 0.000 1.174 731 D CA 0.063 54.125 54.000 0.103 0.000 0.866 731 D CB 1.053 42.013 40.800 0.266 0.000 1.127 731 D HN 0.599 nan 8.370 nan 0.000 0.467 732 K N 2.908 123.339 120.400 0.051 0.000 2.365 732 K HA -0.085 4.233 4.320 -0.003 0.000 0.197 732 K C 0.761 177.519 176.600 0.262 0.000 1.042 732 K CA 0.438 56.786 56.287 0.102 0.000 0.987 732 K CB 0.230 32.778 32.500 0.080 0.000 0.779 732 K HN 0.516 nan 8.250 nan 0.000 0.484 733 Y N 0.164 120.553 120.300 0.149 0.000 2.382 733 Y HA 0.192 4.740 4.550 -0.003 0.000 0.292 733 Y C 0.847 176.900 175.900 0.255 0.000 1.151 733 Y CA 1.007 59.242 58.100 0.225 0.000 1.198 733 Y CB 1.168 39.728 38.460 0.167 0.000 1.195 733 Y HN 0.010 nan 8.280 nan 0.000 0.530 734 G N 1.496 110.340 108.800 0.072 0.000 2.467 734 G HA2 -0.108 3.850 3.960 -0.003 0.000 0.226 734 G HA3 -0.108 3.850 3.960 -0.003 0.000 0.226 734 G C -1.504 173.495 174.900 0.165 0.000 1.162 734 G CA -0.236 44.852 45.100 -0.020 0.000 0.838 734 G HN 0.305 nan 8.290 nan 0.000 0.498 735 D N 0.809 121.370 120.400 0.267 0.000 2.374 735 D HA 0.290 4.928 4.640 -0.003 0.000 0.240 735 D C 1.458 177.830 176.300 0.120 0.000 1.229 735 D CA 0.010 54.158 54.000 0.246 0.000 0.895 735 D CB 1.425 42.390 40.800 0.276 0.000 1.046 735 D HN 0.132 nan 8.370 nan 0.000 0.498 736 V N 4.726 124.700 119.914 0.099 0.000 2.828 736 V HA -0.186 3.932 4.120 -0.003 0.000 0.260 736 V C 1.422 177.517 176.094 0.001 0.000 1.101 736 V CA 1.364 63.690 62.300 0.044 0.000 1.123 736 V CB -0.463 31.395 31.823 0.059 0.000 0.704 736 V HN 0.529 nan 8.190 nan 0.000 0.493 737 N N -0.345 118.346 118.700 -0.015 0.000 2.521 737 N HA 0.008 4.745 4.740 -0.003 0.000 0.188 737 N C 1.333 176.765 175.510 -0.130 0.000 1.146 737 N CA 0.730 53.733 53.050 -0.079 0.000 0.893 737 N CB 0.526 38.952 38.487 -0.101 0.000 0.975 737 N HN 0.427 nan 8.380 nan 0.000 0.451 738 V N 0.326 120.180 119.914 -0.101 0.000 3.041 738 V HA -0.016 4.102 4.120 -0.003 0.000 0.260 738 V C 1.860 177.905 176.094 -0.082 0.000 1.105 738 V CA 0.950 63.186 62.300 -0.107 0.000 1.125 738 V CB -0.103 31.702 31.823 -0.029 0.000 0.730 738 V HN 0.258 nan 8.190 nan 0.000 0.479 739 L N -0.365 120.810 121.223 -0.080 0.000 2.609 739 L HA 0.205 4.543 4.340 -0.003 0.000 0.230 739 L C 1.325 178.134 176.870 -0.102 0.000 1.087 739 L CA 0.093 54.876 54.840 -0.095 0.000 0.874 739 L CB 0.012 42.010 42.059 -0.102 0.000 1.114 739 L HN 0.382 nan 8.230 nan 0.000 0.488 740 S N 0.483 116.124 115.700 -0.098 0.000 2.614 740 S HA 0.640 5.108 4.470 -0.003 0.000 0.265 740 S C 0.067 174.604 174.600 -0.105 0.000 1.303 740 S CA -0.603 57.541 58.200 -0.094 0.000 1.000 740 S CB 1.808 64.959 63.200 -0.082 0.000 0.935 740 S HN 0.117 nan 8.310 nan 0.000 0.551 741 A N 0.435 123.196 122.820 -0.099 0.000 2.295 741 A HA 0.538 4.856 4.320 -0.003 0.000 0.318 741 A C -0.288 177.219 177.584 -0.128 0.000 1.134 741 A CA -0.642 51.331 52.037 -0.106 0.000 0.827 741 A CB 0.507 19.446 19.000 -0.102 0.000 1.136 741 A HN 0.840 nan 8.150 nan 0.000 0.493 742 D N 1.519 121.845 120.400 -0.124 0.000 2.518 742 D HA 0.461 5.099 4.640 -0.003 0.000 0.230 742 D C -0.453 175.794 176.300 -0.089 0.000 1.138 742 D CA -0.026 53.898 54.000 -0.127 0.000 0.964 742 D CB -0.443 40.294 40.800 -0.106 0.000 1.011 742 D HN 0.492 nan 8.370 nan 0.000 0.517 743 I N -1.139 119.370 120.570 -0.102 0.000 2.969 743 I HA 0.778 4.946 4.170 -0.003 0.000 0.307 743 I C 0.465 176.536 176.117 -0.077 0.000 1.149 743 I CA -1.447 59.792 61.300 -0.101 0.000 1.008 743 I CB 2.031 39.922 38.000 -0.180 0.000 1.232 743 I HN 0.130 nan 8.210 nan 0.000 0.435 744 G N 1.394 110.166 108.800 -0.046 0.000 2.483 744 G HA2 0.365 4.323 3.960 -0.003 0.000 0.248 744 G HA3 0.365 4.323 3.960 -0.003 0.000 0.248 744 G C 0.921 175.828 174.900 0.012 0.000 1.248 744 G CA 0.191 45.283 45.100 -0.013 0.000 0.838 744 G HN 0.938 nan 8.290 nan 0.000 0.566 745 T N -1.686 112.884 114.554 0.027 0.000 2.746 745 T HA 0.061 4.409 4.350 -0.003 0.000 0.267 745 T C 1.237 175.970 174.700 0.055 0.000 1.039 745 T CA 1.409 63.542 62.100 0.055 0.000 1.142 745 T CB -0.338 68.556 68.868 0.045 0.000 0.866 745 T HN 1.590 nan 8.240 nan 0.000 0.444 746 S N -1.093 114.628 115.700 0.035 0.000 2.643 746 S HA 0.422 4.890 4.470 -0.003 0.000 0.266 746 S C -0.133 174.419 174.600 -0.081 0.000 1.130 746 S CA -0.945 57.265 58.200 0.017 0.000 0.817 746 S CB 1.249 64.483 63.200 0.056 0.000 1.107 746 S HN 0.081 nan 8.310 nan 0.000 0.471 747 K N -0.152 120.104 120.400 -0.239 0.000 2.283 747 K HA 0.118 4.436 4.320 -0.003 0.000 0.202 747 K C 1.755 178.034 176.600 -0.536 0.000 1.048 747 K CA 1.135 57.117 56.287 -0.507 0.000 0.948 747 K CB -0.404 31.444 32.500 -1.086 0.000 0.742 747 K HN 0.495 nan 8.250 nan 0.000 0.458 748 L N -0.160 120.870 121.223 -0.323 0.000 2.044 748 L HA -0.116 4.222 4.340 -0.003 0.000 0.205 748 L C 1.937 178.651 176.870 -0.260 0.000 1.075 748 L CA 1.761 56.507 54.840 -0.157 0.000 0.747 748 L CB -0.073 41.971 42.059 -0.025 0.000 0.903 748 L HN 0.093 nan 8.230 nan 0.000 0.435 749 A N -3.159 119.595 122.820 -0.110 0.000 2.070 749 A HA 0.128 4.446 4.320 -0.003 0.000 0.202 749 A C 0.780 178.510 177.584 0.243 0.000 1.277 749 A CA 0.180 52.218 52.037 0.002 0.000 0.872 749 A CB 0.271 19.274 19.000 0.005 0.000 0.933 749 A HN 0.437 nan 8.150 nan 0.000 0.475 750 Q N -0.692 119.189 119.800 0.134 0.000 2.487 750 Q HA -0.163 4.175 4.340 -0.003 0.000 0.279 750 Q C 0.519 176.542 176.000 0.039 0.000 1.228 750 Q CA 0.805 56.675 55.803 0.113 0.000 0.873 750 Q CB -2.478 26.377 28.738 0.195 0.000 1.260 750 Q HN 0.796 nan 8.270 nan 0.000 0.471 751 G N 1.064 109.874 108.800 0.015 0.000 2.616 751 G HA2 0.339 4.297 3.960 -0.003 0.000 0.268 751 G HA3 0.339 4.297 3.960 -0.003 0.000 0.268 751 G C 0.329 175.186 174.900 -0.073 0.000 1.213 751 G CA 0.015 45.088 45.100 -0.045 0.000 0.926 751 G HN 0.477 nan 8.290 nan 0.000 0.523 752 N N -2.474 116.153 118.700 -0.122 0.000 2.513 752 N HA 0.288 5.026 4.740 -0.003 0.000 0.274 752 N C -0.327 175.182 175.510 -0.001 0.000 1.189 752 N CA -0.603 52.396 53.050 -0.085 0.000 0.975 752 N CB 1.503 39.938 38.487 -0.087 0.000 1.157 752 N HN 0.208 nan 8.380 nan 0.000 0.465 753 C N 1.773 121.073 119.300 -0.000 0.000 2.534 753 C HA 0.450 4.908 4.460 -0.003 0.000 0.285 753 C C 1.841 176.855 174.990 0.041 0.000 1.505 753 C CA -0.723 58.313 59.018 0.030 0.000 1.715 753 C CB -1.031 26.706 27.740 -0.006 0.000 2.935 753 C HN 1.010 nan 8.230 nan 0.000 0.540 754 G N 0.363 109.207 108.800 0.073 0.000 2.527 754 G HA2 -0.188 3.770 3.960 -0.003 0.000 0.219 754 G HA3 -0.188 3.770 3.960 -0.003 0.000 0.219 754 G C 1.254 176.214 174.900 0.100 0.000 1.117 754 G CA 0.753 45.904 45.100 0.084 0.000 0.759 754 G HN 0.702 nan 8.290 nan 0.000 0.556 755 Q N -0.376 119.503 119.800 0.132 0.000 2.157 755 Q HA 0.112 4.450 4.340 -0.003 0.000 0.229 755 Q C -0.215 175.887 176.000 0.170 0.000 0.827 755 Q CA -0.075 55.825 55.803 0.161 0.000 1.055 755 Q CB 0.914 29.794 28.738 0.237 0.000 1.157 755 Q HN 0.158 nan 8.270 nan 0.000 0.482 756 T N 1.239 115.856 114.554 0.104 0.000 3.400 756 T HA 0.336 4.684 4.350 -0.003 0.000 0.364 756 T C -0.672 174.036 174.700 0.014 0.000 1.636 756 T CA -0.056 62.112 62.100 0.114 0.000 1.211 756 T CB 0.235 69.161 68.868 0.096 0.000 1.180 756 T HN -0.115 nan 8.240 nan 0.000 0.730 757 V N 4.095 123.954 119.914 -0.090 0.000 2.623 757 V HA 0.570 4.688 4.120 -0.003 0.000 0.304 757 V C -0.526 175.423 176.094 -0.242 0.000 1.054 757 V CA -0.983 61.216 62.300 -0.168 0.000 0.882 757 V CB 2.062 33.769 31.823 -0.193 0.000 1.002 757 V HN 0.564 nan 8.190 nan 0.000 0.424 758 L N 3.536 124.696 121.223 -0.106 0.000 2.354 758 L HA 1.045 5.383 4.340 -0.003 0.000 0.269 758 L C 0.083 176.875 176.870 -0.130 0.000 1.005 758 L CA -0.540 54.271 54.840 -0.048 0.000 0.819 758 L CB 2.128 44.246 42.059 0.098 0.000 1.311 758 L HN 0.866 nan 8.230 nan 0.000 0.423 759 A N 1.562 124.303 122.820 -0.131 0.000 2.557 759 A HA 0.761 5.079 4.320 -0.003 0.000 0.292 759 A C -1.776 175.693 177.584 -0.192 0.000 1.139 759 A CA -0.440 51.392 52.037 -0.342 0.000 0.665 759 A CB 2.044 20.855 19.000 -0.316 0.000 1.285 759 A HN 0.603 nan 8.150 nan 0.000 0.433 760 E N -0.584 119.400 120.200 -0.360 0.000 2.244 760 E HA 0.672 5.020 4.350 -0.003 0.000 0.266 760 E C -1.601 174.864 176.600 -0.224 0.000 0.914 760 E CA -0.428 55.852 56.400 -0.201 0.000 0.794 760 E CB 1.954 31.580 29.700 -0.123 0.000 1.210 760 E HN 0.643 nan 8.360 nan 0.000 0.414 761 V N 3.628 123.513 119.914 -0.048 0.000 2.604 761 V HA 0.551 4.669 4.120 -0.003 0.000 0.305 761 V C -0.637 175.509 176.094 0.086 0.000 1.043 761 V CA -0.703 61.611 62.300 0.023 0.000 0.888 761 V CB 1.502 33.335 31.823 0.017 0.000 0.995 761 V HN 0.801 nan 8.190 nan 0.000 0.429 762 E N 2.846 123.122 120.200 0.128 0.000 2.356 762 E HA 0.492 4.840 4.350 -0.003 0.000 0.275 762 E C -1.015 175.649 176.600 0.106 0.000 0.904 762 E CA -1.114 55.358 56.400 0.121 0.000 0.757 762 E CB 2.407 32.201 29.700 0.157 0.000 1.232 762 E HN 0.541 nan 8.360 nan 0.000 0.442 763 K N 2.309 122.756 120.400 0.079 0.000 2.448 763 K HA -0.028 4.290 4.320 -0.003 0.000 0.278 763 K C -1.176 175.485 176.600 0.102 0.000 1.009 763 K CA -0.308 56.024 56.287 0.076 0.000 0.995 763 K CB 0.344 32.871 32.500 0.044 0.000 0.917 763 K HN 0.551 nan 8.250 nan 0.000 0.481 764 Y N 4.067 124.359 120.300 -0.013 0.000 2.393 764 Y HA 0.097 4.645 4.550 -0.003 0.000 0.338 764 Y C 0.479 176.372 175.900 -0.012 0.000 1.029 764 Y CA 0.294 58.382 58.100 -0.020 0.000 1.239 764 Y CB 0.945 39.376 38.460 -0.048 0.000 1.170 764 Y HN 0.789 nan 8.280 nan 0.000 0.515 765 T N 1.194 115.366 114.554 -0.638 0.000 3.043 765 T HA 0.340 4.688 4.350 -0.003 0.000 0.272 765 T C 0.957 175.265 174.700 -0.655 0.000 0.990 765 T CA 0.119 61.923 62.100 -0.493 0.000 0.897 765 T CB -0.220 68.508 68.868 -0.233 0.000 1.111 765 T HN 0.744 nan 8.240 nan 0.000 0.529 766 G N 3.052 111.123 108.800 -1.216 0.000 2.590 766 G HA2 0.460 4.418 3.960 -0.003 0.000 0.276 766 G HA3 0.460 4.418 3.960 -0.003 0.000 0.276 766 G C -2.247 172.454 174.900 -0.331 0.000 1.337 766 G CA -1.001 43.712 45.100 -0.645 0.000 1.030 766 G HN 0.269 nan 8.290 nan 0.000 0.534 767 P HA 0.330 nan 4.420 nan 0.000 0.268 767 P C 0.135 177.531 177.300 0.161 0.000 1.205 767 P CA -0.105 63.024 63.100 0.048 0.000 0.771 767 P CB 0.530 32.265 31.700 0.057 0.000 0.858 768 A N 2.777 125.670 122.820 0.121 0.000 2.547 768 A HA 0.233 4.551 4.320 -0.003 0.000 0.233 768 A C 0.114 177.791 177.584 0.155 0.000 1.067 768 A CA 0.193 52.325 52.037 0.158 0.000 0.763 768 A CB -0.135 18.925 19.000 0.100 0.000 1.007 768 A HN 0.425 nan 8.150 nan 0.000 0.506 769 V N 1.224 121.234 119.914 0.161 0.000 2.823 769 V HA 0.559 4.677 4.120 -0.003 0.000 0.312 769 V C -0.002 176.144 176.094 0.088 0.000 1.072 769 V CA -0.407 61.963 62.300 0.116 0.000 0.937 769 V CB 2.613 34.503 31.823 0.112 0.000 1.013 769 V HN 0.999 nan 8.190 nan 0.000 0.430 770 T N 5.549 120.135 114.554 0.053 0.000 2.758 770 T HA 0.577 4.925 4.350 -0.003 0.000 0.285 770 T C -0.369 174.342 174.700 0.018 0.000 0.981 770 T CA -0.321 61.798 62.100 0.032 0.000 0.965 770 T CB 0.783 69.660 68.868 0.015 0.000 0.927 770 T HN 0.350 nan 8.240 nan 0.000 0.448 771 L N 3.597 124.831 121.223 0.019 0.000 2.360 771 L HA 0.304 4.642 4.340 -0.003 0.000 0.276 771 L C 1.445 178.306 176.870 -0.014 0.000 1.121 771 L CA -0.177 54.672 54.840 0.015 0.000 0.845 771 L CB 0.533 42.629 42.059 0.062 0.000 1.143 771 L HN 0.863 nan 8.230 nan 0.000 0.452 772 T N -2.815 111.695 114.554 -0.073 0.000 3.043 772 T HA 0.104 4.452 4.350 -0.003 0.000 0.272 772 T C 1.428 176.029 174.700 -0.164 0.000 0.990 772 T CA 0.250 62.292 62.100 -0.096 0.000 0.897 772 T CB 0.603 69.411 68.868 -0.100 0.000 1.111 772 T HN 0.651 nan 8.240 nan 0.000 0.529 773 G N 0.770 109.388 108.800 -0.303 0.000 2.650 773 G HA2 0.147 4.105 3.960 -0.003 0.000 0.214 773 G HA3 0.147 4.105 3.960 -0.003 0.000 0.214 773 G C 0.483 175.109 174.900 -0.456 0.000 1.136 773 G CA 0.022 44.863 45.100 -0.431 0.000 0.789 773 G HN 0.521 nan 8.290 nan 0.000 0.536 774 F N 0.574 120.553 119.950 0.049 0.000 2.639 774 F HA 0.350 4.875 4.527 -0.003 0.000 0.300 774 F C 0.412 176.236 175.800 0.041 0.000 1.109 774 F CA -1.159 56.865 58.000 0.040 0.000 1.335 774 F CB 0.380 39.332 39.000 -0.080 0.000 1.014 774 F HN -0.011 nan 8.300 nan 0.000 0.537 775 V N -2.097 117.878 119.914 0.102 0.000 2.789 775 V HA 0.910 5.028 4.120 -0.003 0.000 0.311 775 V C 0.106 176.167 176.094 -0.056 0.000 1.073 775 V CA -1.892 60.435 62.300 0.045 0.000 0.921 775 V CB 0.944 32.773 31.823 0.009 0.000 1.009 775 V HN 0.028 nan 8.190 nan 0.000 0.426 776 A N 4.082 126.852 122.820 -0.084 0.000 2.425 776 A HA 0.668 4.986 4.320 -0.003 0.000 0.242 776 A C -2.144 175.194 177.584 -0.410 0.000 1.077 776 A CA -1.018 50.816 52.037 -0.340 0.000 0.781 776 A CB -0.728 18.150 19.000 -0.203 0.000 1.020 776 A HN 0.851 nan 8.150 nan 0.000 0.494 777 P HA 0.016 nan 4.420 nan 0.000 0.264 777 P C 0.485 177.626 177.300 -0.265 0.000 1.179 777 P CA 0.161 62.980 63.100 -0.468 0.000 0.763 777 P CB 0.425 31.761 31.700 -0.606 0.000 0.806 778 K N 2.787 123.092 120.400 -0.157 0.000 2.034 778 K HA -0.238 4.080 4.320 -0.003 0.000 0.214 778 K C 1.898 178.465 176.600 -0.055 0.000 1.051 778 K CA 2.263 58.497 56.287 -0.088 0.000 0.931 778 K CB -0.614 31.846 32.500 -0.066 0.000 0.715 778 K HN 0.515 nan 8.250 nan 0.000 0.446 779 A N 0.307 123.107 122.820 -0.035 0.000 2.172 779 A HA 0.006 4.324 4.320 -0.003 0.000 0.216 779 A C 1.895 179.506 177.584 0.045 0.000 1.154 779 A CA 1.489 53.534 52.037 0.013 0.000 0.701 779 A CB -0.344 18.686 19.000 0.049 0.000 0.789 779 A HN 0.362 nan 8.150 nan 0.000 0.465 780 A N -0.807 122.018 122.820 0.008 0.000 2.275 780 A HA 0.253 4.571 4.320 -0.003 0.000 0.212 780 A C 0.845 178.496 177.584 0.112 0.000 1.201 780 A CA -0.160 51.935 52.037 0.098 0.000 0.843 780 A CB -0.000 19.015 19.000 0.024 0.000 0.873 780 A HN 0.404 nan 8.150 nan 0.000 0.492 781 E N 0.000 120.235 120.200 0.058 0.000 2.725 781 E HA 0.000 4.348 4.350 -0.003 0.000 0.291 781 E CA 0.000 56.432 56.400 0.054 0.000 0.976 781 E CB 0.000 29.712 29.700 0.020 0.000 0.812 781 E HN 0.000 nan 8.360 nan 0.000 0.440