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 2jim_1_A DATA FIRST_RESID 4 DATA SEQUENCE RPEKWVKGVC RYCGTGCGVL VGVKDGKAVA IQGNPNNHNA GLLCLKGSLL DATA SEQUENCE IPVLNSKERV TQPLVRRHKG GKLEPVSWDE ALDLMASRFR SSIDMYGPNS DATA SEQUENCE VAWYGSGQCL TEESYVANKI FKGGFGTNNV DGNPRLCMAS AVGGYVTSFG DATA SEQUENCE KDEPMGTYAD IDQATCFFII GSNTSEAHPV LFRRIARRKQ VEPGVKIIVA DATA SEQUENCE DPRRTNTSRI ADMHVAFRPG TDLAFMHSMA WVIINEELDN PRFWQRYVNF DATA SEQUENCE MDAEGKPSDF EGYKAFLENY RPEKVAEICR VPVEQIYGAA RAFAESAATM DATA SEQUENCE SLWCMGINQR VQGVFANNLI HNLHLITGQI CRPGATSFSL TGQPNACGGV DATA SEQUENCE RDGGALSHLL PAGRAIPNAK HRAEMEKLWG LPEGRIAPEP GYHTVALFEA DATA SEQUENCE LGRGDVKCMI ICETNPAHTL PNLNKVHKAM SHPESFIVCI EAFPDAVTLE DATA SEQUENCE YADLVLPPAF WCERDGVYGC GERRYSLTEK AVDPPGQCRP TVNTLVEFAR DATA SEQUENCE RAGVDPQLVN FRNAEDVWNE WRMVSKGTTY DFWGMTRERL RKESGLIWPC DATA SEQUENCE PSEDHPGTSL RYVRGQDPCV PADHPDRFFF YGKPDGRAVI WMRPAKGAAE DATA SEQUENCE EPDAEYPLYL TSMRVIDHWH TATMTGKVPE LQKANPIAFV EINEEDAART DATA SEQUENCE GIKHGDSVIV ETRRDAMELP ARVSDVCRPG LIAVPFFDPK KLVNKLFLDA DATA SEQUENCE TDPVSREPEY KICAARVRKA 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 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.238 176.300 -0.104 0.000 0.893 4 R CA 0.000 56.084 56.100 -0.027 0.000 0.921 4 R CB 0.000 30.313 30.300 0.022 0.000 0.687 5 P HA 0.230 nan 4.420 nan 0.000 0.269 5 P C 0.253 177.377 177.300 -0.294 0.000 1.209 5 P CA -0.229 62.631 63.100 -0.400 0.000 0.776 5 P CB 0.815 31.942 31.700 -0.955 0.000 0.876 6 E N 1.225 121.270 120.200 -0.259 0.000 2.033 6 E HA -0.081 4.270 4.350 0.001 0.000 0.189 6 E C 0.464 176.950 176.600 -0.191 0.000 0.979 6 E CA 1.044 57.341 56.400 -0.171 0.000 0.802 6 E CB 0.135 29.759 29.700 -0.126 0.000 0.763 6 E HN 0.519 nan 8.360 nan 0.000 0.449 7 K N -0.891 119.339 120.400 -0.284 0.000 2.433 7 K HA 0.415 4.736 4.320 0.001 0.000 0.252 7 K C -1.679 174.686 176.600 -0.392 0.000 1.015 7 K CA -0.853 55.300 56.287 -0.223 0.000 0.860 7 K CB 1.098 33.541 32.500 -0.095 0.000 1.359 7 K HN -0.126 nan 8.250 nan 0.000 0.452 8 W N 1.130 122.402 121.300 -0.046 0.000 2.538 8 W HA 0.461 5.122 4.660 0.002 0.000 0.322 8 W C -1.245 175.234 176.519 -0.068 0.000 1.028 8 W CA -0.788 56.526 57.345 -0.052 0.000 1.228 8 W CB 2.219 31.655 29.460 -0.040 0.000 1.356 8 W HN 0.165 nan 8.180 nan 0.000 0.452 9 V N 3.967 123.953 119.914 0.121 0.000 2.370 9 V HA 0.274 4.395 4.120 0.001 0.000 0.283 9 V C 0.195 176.288 176.094 -0.002 0.000 1.023 9 V CA -1.427 60.880 62.300 0.011 0.000 0.857 9 V CB 1.255 33.026 31.823 -0.086 0.000 0.985 9 V HN 0.409 nan 8.190 nan 0.000 0.443 10 K N 3.417 123.807 120.400 -0.016 0.000 2.322 10 K HA 0.606 4.927 4.320 0.001 0.000 0.283 10 K C 0.358 176.916 176.600 -0.069 0.000 1.042 10 K CA 0.378 56.650 56.287 -0.025 0.000 0.958 10 K CB 0.890 33.375 32.500 -0.024 0.000 0.984 10 K HN 0.912 nan 8.250 nan 0.000 0.473 11 G N 1.653 110.425 108.800 -0.047 0.000 2.793 11 G HA2 0.453 4.414 3.960 0.001 0.000 0.248 11 G HA3 0.453 4.414 3.960 0.001 0.000 0.248 11 G C -1.615 173.309 174.900 0.040 0.000 1.198 11 G CA -0.530 44.535 45.100 -0.058 0.000 0.865 11 G HN 0.469 nan 8.290 nan 0.000 0.534 12 V N -0.307 119.680 119.914 0.121 0.000 2.876 12 V HA 0.437 4.557 4.120 0.001 0.000 0.312 12 V C 0.104 176.391 176.094 0.322 0.000 1.085 12 V CA -0.861 61.567 62.300 0.214 0.000 0.945 12 V CB 1.596 33.587 31.823 0.281 0.000 1.017 12 V HN 1.035 nan 8.190 nan 0.000 0.428 13 C N 3.734 123.146 119.300 0.187 0.000 2.596 13 C HA 0.159 4.620 4.460 0.001 0.000 0.414 13 C C 2.017 176.917 174.990 -0.150 0.000 1.396 13 C CA 0.058 59.078 59.018 0.003 0.000 1.698 13 C CB -0.035 27.692 27.740 -0.022 0.000 2.572 13 C HN 0.993 nan 8.230 nan 0.000 0.604 14 R N 3.324 123.390 120.500 -0.723 0.000 2.280 14 R HA 0.058 4.399 4.340 0.001 0.000 0.207 14 R C 0.359 176.104 176.300 -0.924 0.000 1.043 14 R CA 1.510 57.048 56.100 -0.937 0.000 1.006 14 R CB -0.537 28.682 30.300 -1.801 0.000 0.885 14 R HN 0.915 nan 8.270 nan 0.000 0.467 15 Y N -1.301 118.614 120.300 -0.641 0.000 3.115 15 Y HA 0.135 4.686 4.550 0.002 0.000 0.252 15 Y C 1.559 177.092 175.900 -0.612 0.000 0.907 15 Y CA -0.303 57.178 58.100 -1.032 0.000 1.261 15 Y CB -0.756 37.173 38.460 -0.884 0.000 1.128 15 Y HN 0.052 nan 8.280 nan 0.000 0.541 16 C N 0.794 120.060 119.300 -0.056 0.000 2.639 16 C HA 0.433 4.893 4.460 0.001 0.000 0.360 16 C C 2.010 177.111 174.990 0.185 0.000 1.351 16 C CA -0.323 58.800 59.018 0.175 0.000 2.408 16 C CB -0.098 27.696 27.740 0.091 0.000 2.517 16 C HN 0.882 nan 8.230 nan 0.000 0.696 17 G N 0.442 109.410 108.800 0.279 0.000 2.708 17 G HA2 0.045 4.006 3.960 0.001 0.000 0.210 17 G HA3 0.045 4.006 3.960 0.001 0.000 0.210 17 G C 1.111 176.244 174.900 0.389 0.000 1.141 17 G CA 0.990 46.279 45.100 0.315 0.000 0.788 17 G HN 0.896 nan 8.290 nan 0.000 0.531 18 T N 0.545 115.319 114.554 0.366 0.000 2.821 18 T HA 0.177 4.528 4.350 0.001 0.000 0.267 18 T C 1.955 176.925 174.700 0.450 0.000 1.046 18 T CA 1.263 63.555 62.100 0.319 0.000 1.139 18 T CB -0.293 68.696 68.868 0.201 0.000 0.871 18 T HN 1.019 nan 8.240 nan 0.000 0.454 19 G N 0.947 109.957 108.800 0.349 0.000 2.256 19 G HA2 -0.267 3.693 3.960 0.001 0.000 0.272 19 G HA3 -0.267 3.693 3.960 0.001 0.000 0.272 19 G C 0.256 175.384 174.900 0.381 0.000 1.076 19 G CA -0.207 45.116 45.100 0.372 0.000 0.882 19 G HN 0.631 nan 8.290 nan 0.000 0.497 20 C N 0.574 119.986 119.300 0.187 0.000 2.596 20 C HA 0.492 4.953 4.460 0.001 0.000 0.414 20 C C 1.758 176.752 174.990 0.006 0.000 1.396 20 C CA 0.366 59.371 59.018 -0.022 0.000 1.698 20 C CB -0.206 27.529 27.740 -0.008 0.000 2.572 20 C HN 0.969 nan 8.230 nan 0.000 0.604 21 G N 2.318 111.070 108.800 -0.079 0.000 2.467 21 G HA2 0.475 4.436 3.960 0.001 0.000 0.257 21 G HA3 0.475 4.436 3.960 0.001 0.000 0.257 21 G C -0.760 174.142 174.900 0.003 0.000 1.227 21 G CA -0.100 44.992 45.100 -0.013 0.000 0.835 21 G HN 0.734 nan 8.290 nan 0.000 0.556 22 V N 2.083 122.022 119.914 0.042 0.000 3.049 22 V HA 0.623 4.744 4.120 0.001 0.000 0.309 22 V C -0.809 175.322 176.094 0.062 0.000 1.148 22 V CA -0.786 61.559 62.300 0.075 0.000 0.990 22 V CB 2.230 34.155 31.823 0.169 0.000 1.039 22 V HN 0.643 nan 8.190 nan 0.000 0.430 23 L N 4.844 126.118 121.223 0.084 0.000 2.381 23 L HA 0.647 4.988 4.340 0.001 0.000 0.274 23 L C -0.935 176.125 176.870 0.316 0.000 0.988 23 L CA -0.861 54.065 54.840 0.144 0.000 0.824 23 L CB 2.064 44.158 42.059 0.058 0.000 1.263 23 L HN 0.308 nan 8.230 nan 0.000 0.410 24 V N 2.151 122.203 119.914 0.230 0.000 2.328 24 V HA 0.453 4.574 4.120 0.001 0.000 0.278 24 V C 0.703 176.807 176.094 0.017 0.000 1.021 24 V CA -0.463 61.908 62.300 0.119 0.000 0.838 24 V CB 1.416 33.169 31.823 -0.117 0.000 0.999 24 V HN 0.863 nan 8.190 nan 0.000 0.447 25 G N 4.144 112.828 108.800 -0.192 0.000 2.339 25 G HA2 0.553 4.514 3.960 0.001 0.000 0.287 25 G HA3 0.553 4.514 3.960 0.001 0.000 0.287 25 G C -0.422 174.182 174.900 -0.494 0.000 1.163 25 G CA -0.181 44.384 45.100 -0.893 0.000 0.872 25 G HN 0.956 nan 8.290 nan 0.000 0.464 26 V N -0.057 119.585 119.914 -0.454 0.000 2.823 26 V HA 0.900 5.021 4.120 0.001 0.000 0.312 26 V C -0.748 175.197 176.094 -0.250 0.000 1.072 26 V CA -1.377 60.758 62.300 -0.274 0.000 0.937 26 V CB 2.278 33.983 31.823 -0.195 0.000 1.013 26 V HN 0.680 nan 8.190 nan 0.000 0.430 27 K N 2.276 122.572 120.400 -0.173 0.000 2.513 27 K HA 0.358 4.679 4.320 0.001 0.000 0.251 27 K C -1.015 175.529 176.600 -0.093 0.000 0.939 27 K CA -0.172 56.035 56.287 -0.134 0.000 0.793 27 K CB 1.818 34.241 32.500 -0.128 0.000 1.241 27 K HN 0.975 nan 8.250 nan 0.000 0.431 28 D N 2.587 122.940 120.400 -0.078 0.000 2.701 28 D HA -0.190 4.451 4.640 0.001 0.000 0.235 28 D C 0.605 176.871 176.300 -0.057 0.000 1.155 28 D CA 2.004 55.969 54.000 -0.059 0.000 0.649 28 D CB -1.299 39.473 40.800 -0.046 0.000 1.050 28 D HN 1.045 nan 8.370 nan 0.000 0.425 29 G N -1.030 107.729 108.800 -0.068 0.000 2.176 29 G HA2 -0.334 3.627 3.960 0.001 0.000 0.252 29 G HA3 -0.334 3.627 3.960 0.001 0.000 0.252 29 G C 0.001 174.864 174.900 -0.061 0.000 1.024 29 G CA 0.471 45.532 45.100 -0.065 0.000 0.755 29 G HN 0.348 nan 8.290 nan 0.000 0.507 30 K N -0.151 120.207 120.400 -0.070 0.000 2.471 30 K HA 0.696 5.017 4.320 0.001 0.000 0.252 30 K C 0.218 176.770 176.600 -0.079 0.000 0.938 30 K CA -0.102 56.150 56.287 -0.058 0.000 0.796 30 K CB 1.925 34.401 32.500 -0.041 0.000 1.161 30 K HN 0.723 nan 8.250 nan 0.000 0.425 31 A N 2.235 125.016 122.820 -0.065 0.000 2.491 31 A HA 0.241 4.561 4.320 0.001 0.000 0.261 31 A C 1.068 178.621 177.584 -0.051 0.000 1.101 31 A CA -0.046 51.948 52.037 -0.073 0.000 0.772 31 A CB -0.188 18.793 19.000 -0.032 0.000 1.043 31 A HN 0.569 nan 8.150 nan 0.000 0.501 32 V N -0.716 119.144 119.914 -0.090 0.000 3.562 32 V HA 0.679 4.800 4.120 0.001 0.000 0.270 32 V C 0.535 176.608 176.094 -0.035 0.000 1.418 32 V CA 0.697 62.958 62.300 -0.064 0.000 1.033 32 V CB -0.880 30.887 31.823 -0.093 0.000 0.820 32 V HN 1.733 nan 8.190 nan 0.000 0.441 33 A N -0.003 122.789 122.820 -0.048 0.000 2.604 33 A HA 0.851 5.172 4.320 0.001 0.000 0.295 33 A C -1.601 176.093 177.584 0.184 0.000 1.067 33 A CA -0.378 51.697 52.037 0.064 0.000 0.683 33 A CB 2.130 21.183 19.000 0.089 0.000 1.281 33 A HN 0.481 nan 8.150 nan 0.000 0.407 34 I N 0.713 121.447 120.570 0.275 0.000 2.647 34 I HA 0.662 4.833 4.170 0.001 0.000 0.295 34 I C -0.627 175.645 176.117 0.259 0.000 1.078 34 I CA -0.375 61.106 61.300 0.302 0.000 1.048 34 I CB 2.079 40.215 38.000 0.228 0.000 1.239 34 I HN 0.994 nan 8.210 nan 0.000 0.421 35 Q N 5.022 124.932 119.800 0.184 0.000 2.693 35 Q HA 0.655 4.996 4.340 0.001 0.000 0.306 35 Q C -0.892 175.100 176.000 -0.013 0.000 0.969 35 Q CA -1.145 54.668 55.803 0.017 0.000 0.757 35 Q CB 1.512 30.157 28.738 -0.154 0.000 1.494 35 Q HN 0.651 nan 8.270 nan 0.000 0.459 36 G N 0.197 108.964 108.800 -0.055 0.000 2.444 36 G HA2 0.197 4.158 3.960 0.001 0.000 0.268 36 G HA3 0.197 4.158 3.960 0.001 0.000 0.268 36 G C -0.820 174.029 174.900 -0.084 0.000 1.203 36 G CA -0.679 44.389 45.100 -0.053 0.000 0.835 36 G HN 0.672 nan 8.290 nan 0.000 0.543 37 N N 2.076 120.736 118.700 -0.067 0.000 2.416 37 N HA 0.169 4.910 4.740 0.001 0.000 0.265 37 N C -1.458 174.001 175.510 -0.085 0.000 1.195 37 N CA -1.484 51.521 53.050 -0.075 0.000 0.943 37 N CB 1.375 39.832 38.487 -0.050 0.000 1.115 37 N HN 0.095 nan 8.380 nan 0.000 0.481 38 P HA -0.059 nan 4.420 nan 0.000 0.225 38 P C 0.086 177.350 177.300 -0.060 0.000 1.148 38 P CA 0.899 63.949 63.100 -0.083 0.000 0.779 38 P CB 0.296 31.940 31.700 -0.094 0.000 0.780 39 N N -1.886 116.783 118.700 -0.052 0.000 2.325 39 N HA 0.018 4.759 4.740 0.001 0.000 0.182 39 N C 0.715 176.217 175.510 -0.012 0.000 1.088 39 N CA 0.222 53.255 53.050 -0.029 0.000 0.879 39 N CB -0.343 38.130 38.487 -0.025 0.000 0.983 39 N HN 0.137 nan 8.380 nan 0.000 0.471 40 N N 0.918 119.600 118.700 -0.030 0.000 2.327 40 N HA -0.048 4.693 4.740 0.001 0.000 0.257 40 N C 1.348 176.841 175.510 -0.028 0.000 1.281 40 N CA 0.009 53.046 53.050 -0.021 0.000 0.942 40 N CB 0.636 39.083 38.487 -0.067 0.000 1.199 40 N HN 0.248 nan 8.380 nan 0.000 0.532 41 H N 0.011 119.121 119.070 0.068 0.000 2.422 41 H HA -0.070 4.487 4.556 0.001 0.000 0.298 41 H C 1.159 176.519 175.328 0.053 0.000 1.098 41 H CA 1.969 58.065 56.048 0.079 0.000 1.315 41 H CB -0.289 29.568 29.762 0.159 0.000 1.382 41 H HN 0.541 nan 8.280 nan 0.000 0.523 42 N N 1.404 119.843 118.700 -0.435 0.000 2.515 42 N HA -0.054 4.687 4.740 0.001 0.000 0.185 42 N C 0.890 176.336 175.510 -0.105 0.000 1.109 42 N CA 0.863 53.771 53.050 -0.235 0.000 0.903 42 N CB -0.140 38.163 38.487 -0.306 0.000 0.969 42 N HN 0.683 nan 8.380 nan 0.000 0.450 43 A N -0.235 122.533 122.820 -0.086 0.000 2.783 43 A HA -0.024 4.297 4.320 0.001 0.000 0.292 43 A C 1.341 178.885 177.584 -0.066 0.000 1.495 43 A CA 1.508 53.511 52.037 -0.057 0.000 0.787 43 A CB -2.103 16.877 19.000 -0.032 0.000 1.017 43 A HN 1.437 nan 8.150 nan 0.000 0.516 44 G N -3.787 104.964 108.800 -0.081 0.000 2.176 44 G HA2 -0.064 3.897 3.960 0.001 0.000 0.253 44 G HA3 -0.064 3.897 3.960 0.001 0.000 0.253 44 G C -0.064 174.797 174.900 -0.065 0.000 0.979 44 G CA 0.543 45.595 45.100 -0.080 0.000 0.641 44 G HN 1.419 nan 8.290 nan 0.000 0.530 45 L N 0.323 121.510 121.223 -0.059 0.000 2.360 45 L HA 0.881 5.221 4.340 0.001 0.000 0.271 45 L C 0.471 177.319 176.870 -0.035 0.000 1.057 45 L CA -0.819 53.995 54.840 -0.043 0.000 0.803 45 L CB 1.489 43.525 42.059 -0.039 0.000 1.207 45 L HN 0.203 nan 8.230 nan 0.000 0.445 46 L N 1.579 122.791 121.223 -0.018 0.000 2.472 46 L HA 0.431 4.772 4.340 0.001 0.000 0.260 46 L C -0.110 176.760 176.870 -0.001 0.000 0.963 46 L CA -0.844 53.995 54.840 -0.003 0.000 0.829 46 L CB 2.132 44.198 42.059 0.011 0.000 1.348 46 L HN 0.793 nan 8.230 nan 0.000 0.408 47 C N 0.372 119.673 119.300 0.001 0.000 2.711 47 C HA 0.246 4.707 4.460 0.001 0.000 0.306 47 C C 1.741 176.722 174.990 -0.014 0.000 1.479 47 C CA -0.507 58.505 59.018 -0.009 0.000 2.271 47 C CB 0.169 27.899 27.740 -0.016 0.000 2.155 47 C HN 0.883 nan 8.230 nan 0.000 0.674 48 L N 0.993 122.197 121.223 -0.032 0.000 2.156 48 L HA 0.008 4.349 4.340 0.001 0.000 0.208 48 L C 2.699 179.542 176.870 -0.044 0.000 1.095 48 L CA 1.715 56.533 54.840 -0.036 0.000 0.770 48 L CB -0.910 41.120 42.059 -0.049 0.000 0.914 48 L HN 0.780 nan 8.230 nan 0.000 0.439 49 K N -0.686 119.665 120.400 -0.083 0.000 2.009 49 K HA -0.140 4.181 4.320 0.001 0.000 0.210 49 K C 1.989 178.629 176.600 0.065 0.000 1.049 49 K CA 1.394 57.609 56.287 -0.120 0.000 0.929 49 K CB -0.791 31.501 32.500 -0.346 0.000 0.714 49 K HN 0.531 nan 8.250 nan 0.000 0.440 50 G N 0.720 109.568 108.800 0.080 0.000 2.459 50 G HA2 -0.269 3.691 3.960 0.001 0.000 0.217 50 G HA3 -0.269 3.691 3.960 0.001 0.000 0.217 50 G C 1.539 176.477 174.900 0.064 0.000 1.183 50 G CA 1.007 46.154 45.100 0.079 0.000 0.776 50 G HN 0.217 nan 8.290 nan 0.000 0.552 51 S N -0.102 115.626 115.700 0.047 0.000 2.462 51 S HA 0.011 4.482 4.470 0.001 0.000 0.243 51 S C 1.503 176.138 174.600 0.058 0.000 1.003 51 S CA 0.648 58.879 58.200 0.051 0.000 0.970 51 S CB -0.160 63.056 63.200 0.027 0.000 0.762 51 S HN 0.290 nan 8.310 nan 0.000 0.510 52 L N 0.741 121.995 121.223 0.052 0.000 3.218 52 L HA 0.250 4.591 4.340 0.001 0.000 0.279 52 L C 0.617 177.528 176.870 0.069 0.000 1.287 52 L CA -0.214 54.654 54.840 0.047 0.000 1.024 52 L CB 0.393 42.456 42.059 0.006 0.000 1.409 52 L HN 0.188 nan 8.230 nan 0.000 0.580 53 L N 0.387 121.662 121.223 0.087 0.000 2.313 53 L HA -0.051 4.290 4.340 0.001 0.000 0.214 53 L C 2.290 179.275 176.870 0.192 0.000 1.119 53 L CA 1.399 56.276 54.840 0.062 0.000 0.809 53 L CB -0.247 41.760 42.059 -0.087 0.000 0.933 53 L HN 0.257 nan 8.230 nan 0.000 0.449 54 I N 0.805 121.491 120.570 0.193 0.000 2.252 54 I HA -0.138 4.032 4.170 0.001 0.000 0.245 54 I C -0.176 176.036 176.117 0.158 0.000 1.102 54 I CA 1.057 62.478 61.300 0.202 0.000 1.385 54 I CB -2.592 35.492 38.000 0.141 0.000 1.064 54 I HN 0.168 nan 8.210 nan 0.000 0.414 55 P HA -0.063 nan 4.420 nan 0.000 0.222 55 P C 2.178 179.533 177.300 0.093 0.000 1.147 55 P CA 0.866 64.015 63.100 0.080 0.000 0.790 55 P CB 0.060 31.786 31.700 0.044 0.000 0.780 56 V N -0.323 119.660 119.914 0.115 0.000 2.283 56 V HA -0.193 3.927 4.120 0.001 0.000 0.243 56 V C 2.369 178.592 176.094 0.215 0.000 1.039 56 V CA 1.419 63.786 62.300 0.112 0.000 1.016 56 V CB -1.318 30.553 31.823 0.080 0.000 0.650 56 V HN 0.043 nan 8.190 nan 0.000 0.449 57 L N 1.150 122.622 121.223 0.414 0.000 2.013 57 L HA -0.210 4.131 4.340 0.001 0.000 0.212 57 L C 2.052 179.083 176.870 0.268 0.000 1.073 57 L CA 2.123 57.287 54.840 0.540 0.000 0.753 57 L CB -0.985 41.412 42.059 0.563 0.000 0.890 57 L HN 0.338 nan 8.230 nan 0.000 0.432 58 N N -0.613 118.197 118.700 0.183 0.000 2.494 58 N HA -0.039 4.702 4.740 0.001 0.000 0.182 58 N C 0.717 176.275 175.510 0.081 0.000 1.076 58 N CA 0.573 53.688 53.050 0.108 0.000 0.908 58 N CB -0.248 38.287 38.487 0.080 0.000 0.967 58 N HN 0.355 nan 8.380 nan 0.000 0.449 59 S N 0.943 116.700 115.700 0.094 0.000 2.561 59 S HA -0.031 4.440 4.470 0.001 0.000 0.294 59 S C 1.219 175.851 174.600 0.052 0.000 1.294 59 S CA 0.067 58.318 58.200 0.085 0.000 1.055 59 S CB 0.548 63.835 63.200 0.145 0.000 0.819 59 S HN 0.050 nan 8.310 nan 0.000 0.503 60 K N 2.865 123.290 120.400 0.041 0.000 2.367 60 K HA 0.118 4.439 4.320 0.001 0.000 0.194 60 K C -0.026 176.582 176.600 0.014 0.000 1.027 60 K CA 0.311 56.609 56.287 0.018 0.000 1.075 60 K CB 0.098 32.609 32.500 0.018 0.000 0.845 60 K HN 0.678 nan 8.250 nan 0.000 0.529 61 E N 2.070 122.300 120.200 0.050 0.000 1.892 61 E HA 0.103 4.453 4.350 0.001 0.000 0.271 61 E C -0.213 176.417 176.600 0.051 0.000 1.146 61 E CA -0.034 56.406 56.400 0.067 0.000 1.096 61 E CB 0.337 30.100 29.700 0.105 0.000 1.155 61 E HN -0.106 nan 8.360 nan 0.000 0.458 62 R N 0.832 121.295 120.500 -0.062 0.000 2.771 62 R HA 0.366 4.706 4.340 0.001 0.000 0.274 62 R C -0.972 175.240 176.300 -0.148 0.000 0.987 62 R CA -1.017 54.949 56.100 -0.223 0.000 0.908 62 R CB 2.088 32.228 30.300 -0.267 0.000 1.213 62 R HN 0.085 nan 8.270 nan 0.000 0.468 63 V N 2.648 122.451 119.914 -0.186 0.000 2.372 63 V HA 0.118 4.239 4.120 0.001 0.000 0.261 63 V C 1.366 177.411 176.094 -0.082 0.000 1.055 63 V CA 0.293 62.529 62.300 -0.106 0.000 0.930 63 V CB 0.711 32.479 31.823 -0.091 0.000 1.031 63 V HN 0.984 nan 8.190 nan 0.000 0.479 64 T N 0.763 115.285 114.554 -0.053 0.000 3.003 64 T HA 0.221 4.572 4.350 0.001 0.000 0.261 64 T C 0.342 175.042 174.700 -0.001 0.000 1.003 64 T CA -0.202 61.890 62.100 -0.013 0.000 0.917 64 T CB 0.216 69.079 68.868 -0.007 0.000 1.084 64 T HN 0.684 nan 8.240 nan 0.000 0.522 65 Q N 0.460 120.227 119.800 -0.055 0.000 2.456 65 Q HA 0.689 5.030 4.340 0.001 0.000 0.283 65 Q C -3.407 172.455 176.000 -0.229 0.000 1.084 65 Q CA -2.716 53.022 55.803 -0.107 0.000 0.801 65 Q CB 1.576 30.276 28.738 -0.064 0.000 1.434 65 Q HN -0.052 nan 8.270 nan 0.000 0.419 66 P HA 0.279 nan 4.420 nan 0.000 0.274 66 P C -1.206 175.955 177.300 -0.232 0.000 1.231 66 P CA -0.336 62.499 63.100 -0.441 0.000 0.790 66 P CB 0.529 31.833 31.700 -0.659 0.000 0.951 67 L N 1.896 123.015 121.223 -0.174 0.000 2.371 67 L HA 0.627 4.968 4.340 0.001 0.000 0.262 67 L C -0.433 176.393 176.870 -0.073 0.000 1.006 67 L CA -0.758 54.022 54.840 -0.101 0.000 0.818 67 L CB 2.067 44.079 42.059 -0.079 0.000 1.354 67 L HN 0.118 nan 8.230 nan 0.000 0.415 68 V N 2.753 122.639 119.914 -0.046 0.000 2.914 68 V HA 0.670 4.791 4.120 0.001 0.000 0.314 68 V C -0.901 175.177 176.094 -0.027 0.000 1.084 68 V CA -0.724 61.563 62.300 -0.021 0.000 0.963 68 V CB 2.501 34.321 31.823 -0.004 0.000 1.025 68 V HN 0.803 nan 8.190 nan 0.000 0.432 69 R N 4.020 124.510 120.500 -0.017 0.000 2.388 69 R HA 0.465 4.806 4.340 0.001 0.000 0.314 69 R C 0.610 176.873 176.300 -0.062 0.000 0.959 69 R CA -0.752 55.331 56.100 -0.029 0.000 0.851 69 R CB 1.067 31.361 30.300 -0.011 0.000 1.168 69 R HN 0.711 nan 8.270 nan 0.000 0.472 70 R N 1.354 121.752 120.500 -0.171 0.000 2.096 70 R HA -0.010 4.331 4.340 0.001 0.000 0.235 70 R C 0.287 176.255 176.300 -0.552 0.000 1.127 70 R CA 1.309 57.153 56.100 -0.428 0.000 0.968 70 R CB -0.080 29.831 30.300 -0.648 0.000 0.861 70 R HN 0.604 nan 8.270 nan 0.000 0.440 71 H N -0.571 118.522 119.070 0.038 0.000 2.980 71 H HA 0.296 4.853 4.556 0.001 0.000 0.367 71 H C -0.290 175.054 175.328 0.026 0.000 1.206 71 H CA -1.044 55.025 56.048 0.034 0.000 1.126 71 H CB 1.215 30.990 29.762 0.021 0.000 1.838 71 H HN -0.323 nan 8.280 nan 0.000 0.552 72 K N 1.022 121.516 120.400 0.157 0.000 2.436 72 K HA 0.158 4.479 4.320 0.001 0.000 0.282 72 K C 1.122 177.754 176.600 0.054 0.000 1.044 72 K CA 0.728 57.066 56.287 0.084 0.000 1.028 72 K CB -0.125 32.417 32.500 0.070 0.000 0.919 72 K HN 1.049 nan 8.250 nan 0.000 0.474 73 G N 2.134 110.945 108.800 0.017 0.000 2.137 73 G HA2 -0.216 3.744 3.960 0.001 0.000 0.237 73 G HA3 -0.216 3.744 3.960 0.001 0.000 0.237 73 G C 0.519 175.424 174.900 0.007 0.000 1.002 73 G CA 0.087 45.181 45.100 -0.008 0.000 0.702 73 G HN 0.843 nan 8.290 nan 0.000 0.515 74 G N -0.758 108.059 108.800 0.028 0.000 2.671 74 G HA2 0.683 4.644 3.960 0.001 0.000 0.275 74 G HA3 0.683 4.644 3.960 0.001 0.000 0.275 74 G C -0.145 174.757 174.900 0.003 0.000 1.368 74 G CA -0.699 44.422 45.100 0.036 0.000 1.044 74 G HN 0.443 nan 8.290 nan 0.000 0.543 75 K N -0.320 120.082 120.400 0.004 0.000 2.138 75 K HA 0.436 4.757 4.320 0.001 0.000 0.263 75 K C -0.827 175.763 176.600 -0.016 0.000 0.965 75 K CA -0.774 55.507 56.287 -0.010 0.000 0.868 75 K CB 1.786 34.283 32.500 -0.006 0.000 1.083 75 K HN 0.032 nan 8.250 nan 0.000 0.443 76 L N 3.509 124.718 121.223 -0.023 0.000 2.615 76 L HA -0.014 4.327 4.340 0.001 0.000 0.271 76 L C 0.574 177.429 176.870 -0.026 0.000 1.183 76 L CA 0.681 55.505 54.840 -0.027 0.000 0.933 76 L CB -0.838 41.203 42.059 -0.030 0.000 1.199 76 L HN 0.724 nan 8.230 nan 0.000 0.487 77 E N 5.952 126.136 120.200 -0.028 0.000 2.207 77 E HA 0.565 4.916 4.350 0.001 0.000 0.270 77 E C -2.721 173.859 176.600 -0.033 0.000 0.927 77 E CA -2.444 53.941 56.400 -0.025 0.000 0.799 77 E CB 1.775 31.464 29.700 -0.019 0.000 1.172 77 E HN 0.249 nan 8.360 nan 0.000 0.404 78 P HA -0.011 nan 4.420 nan 0.000 0.267 78 P C -0.950 176.329 177.300 -0.035 0.000 1.205 78 P CA -0.107 62.969 63.100 -0.040 0.000 0.765 78 P CB 0.930 32.614 31.700 -0.027 0.000 0.828 79 V N 2.548 122.430 119.914 -0.053 0.000 3.078 79 V HA 0.600 4.721 4.120 0.001 0.000 0.311 79 V C -0.313 175.753 176.094 -0.046 0.000 1.138 79 V CA -0.662 61.616 62.300 -0.037 0.000 1.007 79 V CB 2.381 34.184 31.823 -0.033 0.000 1.045 79 V HN 0.645 nan 8.190 nan 0.000 0.432 80 S N 3.237 118.939 115.700 0.004 0.000 2.603 80 S HA 0.194 4.665 4.470 0.001 0.000 0.268 80 S C 0.569 175.212 174.600 0.073 0.000 1.317 80 S CA 0.175 58.405 58.200 0.050 0.000 1.012 80 S CB 0.693 63.949 63.200 0.093 0.000 0.926 80 S HN 0.853 nan 8.310 nan 0.000 0.539 81 W N 0.962 122.286 121.300 0.039 0.000 2.318 81 W HA -0.136 4.525 4.660 0.001 0.000 0.313 81 W C 2.039 178.592 176.519 0.057 0.000 1.221 81 W CA 1.663 59.037 57.345 0.048 0.000 1.266 81 W CB -0.391 29.095 29.460 0.043 0.000 1.150 81 W HN 0.770 nan 8.180 nan 0.000 0.496 82 D N -0.278 120.307 120.400 0.309 0.000 2.106 82 D HA -0.263 4.378 4.640 0.001 0.000 0.191 82 D C 1.873 178.267 176.300 0.157 0.000 0.997 82 D CA 1.933 56.052 54.000 0.198 0.000 0.834 82 D CB -0.594 40.289 40.800 0.138 0.000 0.956 82 D HN 0.282 nan 8.370 nan 0.000 0.448 83 E N -0.083 120.190 120.200 0.122 0.000 2.077 83 E HA -0.191 4.160 4.350 0.001 0.000 0.193 83 E C 1.949 178.612 176.600 0.105 0.000 0.989 83 E CA 1.154 57.610 56.400 0.093 0.000 0.800 83 E CB -0.067 29.670 29.700 0.061 0.000 0.746 83 E HN 0.212 nan 8.360 nan 0.000 0.452 84 A N 1.158 124.037 122.820 0.098 0.000 1.851 84 A HA -0.190 4.130 4.320 0.001 0.000 0.216 84 A C 2.233 179.923 177.584 0.177 0.000 1.195 84 A CA 1.530 53.620 52.037 0.088 0.000 0.622 84 A CB -0.909 18.060 19.000 -0.051 0.000 0.831 84 A HN 0.321 nan 8.150 nan 0.000 0.444 85 L N -0.440 120.932 121.223 0.247 0.000 1.971 85 L HA -0.271 4.070 4.340 0.001 0.000 0.215 85 L C 2.375 179.397 176.870 0.254 0.000 1.072 85 L CA 1.815 56.830 54.840 0.292 0.000 0.758 85 L CB -0.856 41.396 42.059 0.321 0.000 0.889 85 L HN 0.342 nan 8.230 nan 0.000 0.433 86 D N -0.135 120.380 120.400 0.192 0.000 2.133 86 D HA -0.227 4.414 4.640 0.001 0.000 0.192 86 D C 2.126 178.516 176.300 0.149 0.000 1.001 86 D CA 1.265 55.356 54.000 0.151 0.000 0.844 86 D CB -0.331 40.534 40.800 0.108 0.000 0.944 86 D HN 0.099 nan 8.370 nan 0.000 0.447 87 L N 0.421 121.730 121.223 0.143 0.000 1.990 87 L HA -0.191 4.150 4.340 0.001 0.000 0.213 87 L C 2.484 179.460 176.870 0.176 0.000 1.072 87 L CA 1.675 56.588 54.840 0.121 0.000 0.755 87 L CB -0.475 41.676 42.059 0.154 0.000 0.889 87 L HN 0.077 nan 8.230 nan 0.000 0.432 88 M N -1.876 117.920 119.600 0.326 0.000 2.132 88 M HA -0.180 4.301 4.480 0.001 0.000 0.263 88 M C 2.078 178.734 176.300 0.594 0.000 1.065 88 M CA 2.005 57.604 55.300 0.499 0.000 1.122 88 M CB -0.099 32.699 32.600 0.329 0.000 1.365 88 M HN 0.301 nan 8.290 nan 0.000 0.411 89 A N -0.405 122.713 122.820 0.497 0.000 1.929 89 A HA -0.120 4.201 4.320 0.001 0.000 0.216 89 A C 2.196 179.957 177.584 0.294 0.000 1.176 89 A CA 1.787 54.100 52.037 0.461 0.000 0.628 89 A CB -0.921 18.246 19.000 0.279 0.000 0.816 89 A HN 0.693 nan 8.150 nan 0.000 0.444 90 S N -0.289 115.523 115.700 0.187 0.000 2.357 90 S HA -0.159 4.311 4.470 0.001 0.000 0.221 90 S C 2.104 176.726 174.600 0.037 0.000 1.031 90 S CA 1.004 59.252 58.200 0.081 0.000 0.982 90 S CB -0.427 62.793 63.200 0.034 0.000 0.853 90 S HN 0.464 nan 8.310 nan 0.000 0.458 91 R N 0.397 120.883 120.500 -0.023 0.000 2.091 91 R HA 0.031 4.372 4.340 0.001 0.000 0.238 91 R C 2.013 178.285 176.300 -0.046 0.000 1.136 91 R CA 1.489 57.479 56.100 -0.183 0.000 0.959 91 R CB -1.387 28.488 30.300 -0.708 0.000 0.856 91 R HN 0.563 nan 8.270 nan 0.000 0.437 92 F N 0.610 120.592 119.950 0.053 0.000 2.113 92 F HA -0.178 4.350 4.527 0.001 0.000 0.297 92 F C 2.778 178.486 175.800 -0.152 0.000 1.103 92 F CA 1.544 59.559 58.000 0.025 0.000 1.248 92 F CB -0.252 38.876 39.000 0.214 0.000 0.999 92 F HN -0.030 nan 8.300 nan 0.000 0.475 93 R N 0.112 120.656 120.500 0.073 0.000 2.081 93 R HA -0.155 4.186 4.340 0.001 0.000 0.235 93 R C 2.355 178.621 176.300 -0.058 0.000 1.131 93 R CA 1.808 57.892 56.100 -0.027 0.000 0.960 93 R CB -0.875 29.440 30.300 0.024 0.000 0.856 93 R HN 0.162 nan 8.270 nan 0.000 0.436 94 S N -0.908 114.764 115.700 -0.048 0.000 2.383 94 S HA -0.089 4.382 4.470 0.001 0.000 0.227 94 S C 1.997 176.531 174.600 -0.110 0.000 1.026 94 S CA 1.438 59.591 58.200 -0.078 0.000 0.981 94 S CB -0.522 62.637 63.200 -0.068 0.000 0.818 94 S HN 0.497 nan 8.310 nan 0.000 0.472 95 S N 0.789 116.446 115.700 -0.071 0.000 2.356 95 S HA -0.031 4.440 4.470 0.001 0.000 0.223 95 S C 1.769 176.370 174.600 0.001 0.000 1.032 95 S CA 1.485 59.700 58.200 0.026 0.000 1.005 95 S CB -0.580 62.609 63.200 -0.018 0.000 0.867 95 S HN 0.608 nan 8.310 nan 0.000 0.449 96 I N 1.605 122.125 120.570 -0.082 0.000 2.226 96 I HA -0.181 3.990 4.170 0.001 0.000 0.245 96 I C 2.162 178.227 176.117 -0.087 0.000 1.100 96 I CA 1.413 62.666 61.300 -0.079 0.000 1.374 96 I CB -0.521 37.391 38.000 -0.146 0.000 1.057 96 I HN 0.237 nan 8.210 nan 0.000 0.413 97 D N 0.538 120.868 120.400 -0.116 0.000 2.133 97 D HA -0.185 4.456 4.640 0.001 0.000 0.195 97 D C 2.231 178.408 176.300 -0.205 0.000 0.997 97 D CA 1.433 55.356 54.000 -0.127 0.000 0.840 97 D CB -0.139 40.592 40.800 -0.116 0.000 0.947 97 D HN 0.229 nan 8.370 nan 0.000 0.452 98 M N -1.022 118.349 119.600 -0.381 0.000 2.193 98 M HA -0.065 4.416 4.480 0.001 0.000 0.265 98 M C 1.063 176.980 176.300 -0.638 0.000 1.071 98 M CA 1.214 56.087 55.300 -0.712 0.000 1.140 98 M CB -0.330 31.407 32.600 -1.439 0.000 1.369 98 M HN 0.124 nan 8.290 nan 0.000 0.423 99 Y N -0.516 119.766 120.300 -0.029 0.000 2.563 99 Y HA 0.527 5.078 4.550 0.002 0.000 0.250 99 Y C 1.160 177.054 175.900 -0.011 0.000 1.126 99 Y CA -0.257 57.831 58.100 -0.020 0.000 1.231 99 Y CB -0.266 38.177 38.460 -0.028 0.000 1.288 99 Y HN 0.339 nan 8.280 nan 0.000 0.537 100 G N 1.773 110.618 108.800 0.075 0.000 2.758 100 G HA2 -0.189 3.772 3.960 0.001 0.000 0.686 100 G HA3 -0.189 3.772 3.960 0.001 0.000 0.686 100 G C -1.955 172.989 174.900 0.073 0.000 1.389 100 G CA -0.500 44.638 45.100 0.062 0.000 0.845 100 G HN 0.015 nan 8.290 nan 0.000 0.572 101 P HA -0.074 nan 4.420 nan 0.000 0.225 101 P C 1.147 178.529 177.300 0.138 0.000 1.148 101 P CA 1.264 64.417 63.100 0.089 0.000 0.779 101 P CB 0.015 31.793 31.700 0.130 0.000 0.780 102 N N 0.570 119.347 118.700 0.127 0.000 2.571 102 N HA -0.080 4.661 4.740 0.001 0.000 0.189 102 N C 1.309 176.918 175.510 0.165 0.000 1.154 102 N CA 0.729 53.867 53.050 0.147 0.000 0.907 102 N CB -0.431 38.114 38.487 0.097 0.000 0.977 102 N HN 0.055 nan 8.380 nan 0.000 0.449 103 S N -1.547 114.226 115.700 0.122 0.000 2.548 103 S HA 0.104 4.575 4.470 0.001 0.000 0.215 103 S C 0.578 175.202 174.600 0.039 0.000 0.976 103 S CA -0.026 58.210 58.200 0.060 0.000 0.908 103 S CB -0.426 62.821 63.200 0.079 0.000 0.781 103 S HN 0.118 nan 8.310 nan 0.000 0.519 104 V N -1.856 118.137 119.914 0.132 0.000 2.919 104 V HA 1.009 5.130 4.120 0.001 0.000 0.316 104 V C -0.423 175.968 176.094 0.495 0.000 1.077 104 V CA -0.719 61.724 62.300 0.239 0.000 0.977 104 V CB 1.101 33.067 31.823 0.239 0.000 1.039 104 V HN 0.517 nan 8.190 nan 0.000 0.441 105 A N 2.861 126.041 122.820 0.601 0.000 2.606 105 A HA 0.737 5.058 4.320 0.001 0.000 0.293 105 A C -1.615 176.067 177.584 0.163 0.000 1.082 105 A CA -0.585 51.670 52.037 0.363 0.000 0.685 105 A CB 1.909 21.004 19.000 0.159 0.000 1.284 105 A HN 1.583 nan 8.150 nan 0.000 0.408 106 W N 2.222 123.216 121.300 -0.511 0.000 2.529 106 W HA 0.631 5.291 4.660 0.001 0.000 0.321 106 W C -2.453 174.020 176.519 -0.078 0.000 1.047 106 W CA -0.606 56.441 57.345 -0.496 0.000 1.216 106 W CB 1.580 30.453 29.460 -0.979 0.000 1.357 106 W HN 0.753 nan 8.180 nan 0.000 0.489 107 Y N 6.000 125.891 120.300 -0.681 0.000 2.426 107 Y HA 0.501 5.052 4.550 0.001 0.000 0.325 107 Y C 0.082 175.525 175.900 -0.761 0.000 0.989 107 Y CA -0.284 57.514 58.100 -0.502 0.000 1.284 107 Y CB 0.693 39.061 38.460 -0.154 0.000 1.104 107 Y HN 0.466 nan 8.280 nan 0.000 0.481 108 G N 1.892 110.026 108.800 -1.110 0.000 3.008 108 G HA2 0.642 4.603 3.960 0.001 0.000 0.181 108 G HA3 0.642 4.603 3.960 0.001 0.000 0.181 108 G C -1.053 173.582 174.900 -0.442 0.000 1.309 108 G CA -0.408 44.273 45.100 -0.698 0.000 1.009 108 G HN 0.903 nan 8.290 nan 0.000 0.584 109 S N -2.887 112.747 115.700 -0.110 0.000 2.567 109 S HA 0.494 4.965 4.470 0.001 0.000 0.270 109 S C 0.459 175.098 174.600 0.066 0.000 1.152 109 S CA 0.375 58.544 58.200 -0.052 0.000 0.835 109 S CB 1.170 64.352 63.200 -0.029 0.000 1.115 109 S HN 1.499 nan 8.310 nan 0.000 0.459 110 G N 0.136 108.978 108.800 0.070 0.000 3.155 110 G HA2 0.170 4.131 3.960 0.001 0.000 0.213 110 G HA3 0.170 4.131 3.960 0.001 0.000 0.213 110 G C 0.551 175.500 174.900 0.082 0.000 1.196 110 G CA 0.031 45.184 45.100 0.090 0.000 0.846 110 G HN 0.724 nan 8.290 nan 0.000 0.516 111 Q N -0.902 118.979 119.800 0.135 0.000 2.378 111 Q HA 0.133 4.474 4.340 0.001 0.000 0.216 111 Q C 0.904 177.080 176.000 0.293 0.000 0.892 111 Q CA -0.295 55.617 55.803 0.182 0.000 0.931 111 Q CB 0.640 29.529 28.738 0.251 0.000 1.086 111 Q HN 0.428 nan 8.270 nan 0.000 0.528 112 C N 1.420 120.870 119.300 0.249 0.000 2.703 112 C HA 0.096 4.557 4.460 0.001 0.000 0.411 112 C C 0.938 176.124 174.990 0.327 0.000 1.290 112 C CA -0.734 58.445 59.018 0.268 0.000 2.054 112 C CB -0.402 27.493 27.740 0.259 0.000 2.732 112 C HN 0.391 nan 8.230 nan 0.000 0.650 113 L N 2.019 123.388 121.223 0.243 0.000 2.473 113 L HA 0.099 4.440 4.340 0.001 0.000 0.268 113 L C 1.745 178.721 176.870 0.177 0.000 1.215 113 L CA 0.136 55.088 54.840 0.187 0.000 0.823 113 L CB 0.212 42.286 42.059 0.024 0.000 1.099 113 L HN 0.820 nan 8.230 nan 0.000 0.483 114 T N -0.348 114.310 114.554 0.174 0.000 2.849 114 T HA -0.159 4.191 4.350 0.001 0.000 0.270 114 T C 1.495 176.257 174.700 0.103 0.000 1.066 114 T CA 1.544 63.733 62.100 0.149 0.000 1.130 114 T CB -0.125 68.877 68.868 0.223 0.000 0.864 114 T HN 0.549 nan 8.240 nan 0.000 0.481 115 E N 1.103 121.363 120.200 0.100 0.000 2.076 115 E HA -0.046 4.305 4.350 0.001 0.000 0.190 115 E C 2.286 178.886 176.600 0.000 0.000 0.979 115 E CA 0.801 57.222 56.400 0.035 0.000 0.807 115 E CB -0.118 29.590 29.700 0.013 0.000 0.761 115 E HN 0.587 nan 8.360 nan 0.000 0.454 116 E N 0.496 120.715 120.200 0.032 0.000 2.058 116 E HA -0.162 4.189 4.350 0.001 0.000 0.194 116 E C 2.081 178.669 176.600 -0.019 0.000 0.997 116 E CA 1.353 57.776 56.400 0.039 0.000 0.801 116 E CB -0.146 29.634 29.700 0.133 0.000 0.746 116 E HN 0.031 nan 8.360 nan 0.000 0.450 117 S N -0.056 115.663 115.700 0.031 0.000 2.406 117 S HA -0.123 4.348 4.470 0.001 0.000 0.228 117 S C 1.661 176.165 174.600 -0.159 0.000 1.020 117 S CA 0.590 58.776 58.200 -0.023 0.000 0.965 117 S CB -0.218 63.023 63.200 0.067 0.000 0.798 117 S HN 0.344 nan 8.310 nan 0.000 0.488 118 Y N 1.922 122.063 120.300 -0.266 0.000 2.200 118 Y HA -0.095 4.456 4.550 0.001 0.000 0.290 118 Y C 2.078 177.796 175.900 -0.302 0.000 1.137 118 Y CA 1.107 59.001 58.100 -0.343 0.000 1.163 118 Y CB -0.339 37.866 38.460 -0.424 0.000 0.988 118 Y HN 0.021 nan 8.280 nan 0.000 0.518 119 V N 0.239 120.068 119.914 -0.142 0.000 2.323 119 V HA -0.223 3.898 4.120 0.001 0.000 0.244 119 V C 2.662 178.559 176.094 -0.328 0.000 1.041 119 V CA 1.546 63.731 62.300 -0.192 0.000 1.025 119 V CB -1.403 30.354 31.823 -0.110 0.000 0.656 119 V HN 0.537 nan 8.190 nan 0.000 0.451 120 A N 0.181 122.734 122.820 -0.446 0.000 1.892 120 A HA -0.335 3.985 4.320 0.001 0.000 0.218 120 A C 2.171 179.455 177.584 -0.501 0.000 1.188 120 A CA 2.432 54.050 52.037 -0.699 0.000 0.631 120 A CB -1.018 16.919 19.000 -1.772 0.000 0.822 120 A HN 0.640 nan 8.150 nan 0.000 0.447 121 N N -0.636 117.768 118.700 -0.493 0.000 2.069 121 N HA -0.232 4.509 4.740 0.001 0.000 0.191 121 N C 1.958 177.313 175.510 -0.258 0.000 1.031 121 N CA 1.823 54.695 53.050 -0.298 0.000 0.852 121 N CB -0.171 38.151 38.487 -0.275 0.000 1.018 121 N HN 0.613 nan 8.380 nan 0.000 0.423 122 K N 0.776 120.848 120.400 -0.546 0.000 2.057 122 K HA -0.065 4.256 4.320 0.001 0.000 0.206 122 K C 2.182 178.408 176.600 -0.622 0.000 1.050 122 K CA 0.873 56.596 56.287 -0.940 0.000 0.935 122 K CB -0.042 31.690 32.500 -1.280 0.000 0.715 122 K HN 0.167 nan 8.250 nan 0.000 0.439 123 I N 0.342 120.633 120.570 -0.465 0.000 2.127 123 I HA -0.295 3.876 4.170 0.001 0.000 0.241 123 I C 2.026 177.800 176.117 -0.572 0.000 1.075 123 I CA 1.444 62.416 61.300 -0.547 0.000 1.334 123 I CB -0.318 37.367 38.000 -0.525 0.000 1.040 123 I HN 0.122 nan 8.210 nan 0.000 0.405 124 F N 1.111 120.881 119.950 -0.300 0.000 2.060 124 F HA -0.195 4.334 4.527 0.002 0.000 0.295 124 F C 2.594 178.421 175.800 0.045 0.000 1.120 124 F CA 1.681 59.679 58.000 -0.004 0.000 1.205 124 F CB -0.385 38.689 39.000 0.123 0.000 0.986 124 F HN -0.164 nan 8.300 nan 0.000 0.470 125 K N -0.667 119.854 120.400 0.202 0.000 2.097 125 K HA -0.043 4.278 4.320 0.001 0.000 0.205 125 K C 2.159 178.862 176.600 0.171 0.000 1.050 125 K CA 1.219 57.631 56.287 0.209 0.000 0.938 125 K CB -0.542 32.109 32.500 0.252 0.000 0.718 125 K HN 0.377 nan 8.250 nan 0.000 0.442 126 G N -0.424 108.399 108.800 0.039 0.000 2.709 126 G HA2 0.011 3.972 3.960 0.001 0.000 0.208 126 G HA3 0.011 3.972 3.960 0.001 0.000 0.208 126 G C 1.290 176.137 174.900 -0.088 0.000 1.129 126 G CA 0.403 45.523 45.100 0.033 0.000 0.793 126 G HN 0.354 nan 8.290 nan 0.000 0.524 127 G N 0.536 109.195 108.800 -0.236 0.000 2.508 127 G HA2 0.072 4.032 3.960 0.001 0.000 0.212 127 G HA3 0.072 4.032 3.960 0.001 0.000 0.212 127 G C 1.433 176.251 174.900 -0.136 0.000 1.206 127 G CA 0.123 45.032 45.100 -0.320 0.000 0.822 127 G HN 0.331 nan 8.290 nan 0.000 0.550 128 F N 0.918 120.795 119.950 -0.122 0.000 2.456 128 F HA 0.209 4.737 4.527 0.001 0.000 0.298 128 F C 2.165 177.970 175.800 0.009 0.000 1.104 128 F CA 0.332 58.288 58.000 -0.074 0.000 1.435 128 F CB 0.415 39.345 39.000 -0.117 0.000 1.078 128 F HN 0.344 nan 8.300 nan 0.000 0.546 129 G N 1.319 110.243 108.800 0.207 0.000 2.149 129 G HA2 -0.249 3.712 3.960 0.001 0.000 0.235 129 G HA3 -0.249 3.712 3.960 0.001 0.000 0.235 129 G C 0.006 175.018 174.900 0.186 0.000 1.018 129 G CA 0.371 45.570 45.100 0.165 0.000 0.728 129 G HN 0.360 nan 8.290 nan 0.000 0.508 130 T N -0.912 113.795 114.554 0.255 0.000 2.863 130 T HA 0.591 4.942 4.350 0.001 0.000 0.285 130 T C 0.741 175.605 174.700 0.274 0.000 1.009 130 T CA -0.405 61.850 62.100 0.260 0.000 0.989 130 T CB 0.873 69.937 68.868 0.327 0.000 1.004 130 T HN 0.017 nan 8.240 nan 0.000 0.455 131 N N 3.400 122.218 118.700 0.196 0.000 2.268 131 N HA 0.101 4.842 4.740 0.001 0.000 0.204 131 N C 0.007 175.627 175.510 0.182 0.000 1.124 131 N CA -0.030 53.125 53.050 0.175 0.000 0.838 131 N CB -0.119 38.440 38.487 0.120 0.000 0.994 131 N HN 0.625 nan 8.380 nan 0.000 0.489 132 N N 0.500 119.340 118.700 0.233 0.000 3.117 132 N HA 0.038 4.779 4.740 0.001 0.000 0.323 132 N C -0.906 174.719 175.510 0.192 0.000 1.245 132 N CA 0.042 53.240 53.050 0.247 0.000 1.191 132 N CB 0.245 38.921 38.487 0.316 0.000 1.451 132 N HN -0.127 nan 8.380 nan 0.000 0.555 133 V N 0.562 120.583 119.914 0.179 0.000 2.378 133 V HA 0.353 4.474 4.120 0.001 0.000 0.288 133 V C -0.206 176.027 176.094 0.231 0.000 1.016 133 V CA -0.603 61.803 62.300 0.177 0.000 0.840 133 V CB 1.703 33.598 31.823 0.121 0.000 0.994 133 V HN 0.253 nan 8.190 nan 0.000 0.431 134 D N 2.012 122.571 120.400 0.266 0.000 2.798 134 D HA 0.904 5.545 4.640 0.001 0.000 0.308 134 D C -0.096 176.291 176.300 0.144 0.000 1.187 134 D CA 0.391 54.551 54.000 0.266 0.000 1.033 134 D CB 2.406 43.409 40.800 0.339 0.000 1.445 134 D HN 0.855 nan 8.370 nan 0.000 0.550 135 G N -0.716 108.141 108.800 0.095 0.000 2.356 135 G HA2 0.223 4.184 3.960 0.001 0.000 0.294 135 G HA3 0.223 4.184 3.960 0.001 0.000 0.294 135 G C 0.025 174.861 174.900 -0.106 0.000 1.423 135 G CA -0.015 44.873 45.100 -0.353 0.000 0.806 135 G HN 0.471 nan 8.290 nan 0.000 0.527 136 N N -0.300 118.257 118.700 -0.239 0.000 2.192 136 N HA -0.063 4.678 4.740 0.001 0.000 0.188 136 N C -0.610 174.930 175.510 0.051 0.000 1.013 136 N CA 1.948 54.996 53.050 -0.004 0.000 0.863 136 N CB -1.301 37.151 38.487 -0.058 0.000 0.990 136 N HN 0.292 nan 8.380 nan 0.000 0.430 137 P HA -0.106 nan 4.420 nan 0.000 0.223 137 P C 1.273 178.648 177.300 0.125 0.000 1.144 137 P CA 1.061 64.218 63.100 0.095 0.000 0.783 137 P CB -0.131 31.635 31.700 0.111 0.000 0.771 138 R N 0.082 120.671 120.500 0.149 0.000 2.170 138 R HA -0.100 4.241 4.340 0.001 0.000 0.242 138 R C 1.501 177.883 176.300 0.136 0.000 1.145 138 R CA 1.194 57.392 56.100 0.164 0.000 0.984 138 R CB -0.901 29.527 30.300 0.213 0.000 0.869 138 R HN 0.203 nan 8.270 nan 0.000 0.455 139 L N -1.441 119.863 121.223 0.136 0.000 2.628 139 L HA 0.150 4.490 4.340 0.001 0.000 0.229 139 L C 1.415 178.360 176.870 0.125 0.000 1.137 139 L CA -0.374 54.565 54.840 0.164 0.000 0.909 139 L CB 0.549 42.713 42.059 0.176 0.000 1.137 139 L HN 0.305 nan 8.230 nan 0.000 0.470 140 C N -0.817 118.542 119.300 0.098 0.000 3.194 140 C HA 0.191 4.652 4.460 0.001 0.000 0.219 140 C C 1.752 176.811 174.990 0.115 0.000 2.504 140 C CA -0.088 58.979 59.018 0.082 0.000 1.304 140 C CB 0.449 28.228 27.740 0.065 0.000 1.270 140 C HN 0.311 nan 8.230 nan 0.000 0.723 141 M N 1.798 121.477 119.600 0.132 0.000 2.428 141 M HA 0.293 4.774 4.480 0.001 0.000 0.239 141 M C 1.834 178.241 176.300 0.177 0.000 1.121 141 M CA 0.883 56.280 55.300 0.160 0.000 1.019 141 M CB -1.360 31.340 32.600 0.167 0.000 1.485 141 M HN 0.562 nan 8.290 nan 0.000 0.484 142 A N 0.017 122.930 122.820 0.155 0.000 2.019 142 A HA -0.079 4.242 4.320 0.001 0.000 0.219 142 A C 2.429 180.094 177.584 0.136 0.000 1.164 142 A CA 1.831 53.962 52.037 0.156 0.000 0.644 142 A CB -0.475 18.602 19.000 0.128 0.000 0.805 142 A HN 0.427 nan 8.150 nan 0.000 0.449 143 S N -0.324 115.447 115.700 0.119 0.000 2.387 143 S HA 0.060 4.531 4.470 0.001 0.000 0.226 143 S C 2.300 176.999 174.600 0.164 0.000 1.026 143 S CA 0.935 59.195 58.200 0.100 0.000 0.972 143 S CB -0.332 62.912 63.200 0.073 0.000 0.814 143 S HN 0.779 nan 8.310 nan 0.000 0.477 144 A N 1.278 124.237 122.820 0.231 0.000 1.902 144 A HA -0.034 4.287 4.320 0.001 0.000 0.217 144 A C 2.304 180.095 177.584 0.345 0.000 1.181 144 A CA 1.400 53.617 52.037 0.299 0.000 0.623 144 A CB -0.903 18.283 19.000 0.310 0.000 0.818 144 A HN 0.329 nan 8.150 nan 0.000 0.443 145 V N 0.087 120.203 119.914 0.336 0.000 2.255 145 V HA -0.222 3.899 4.120 0.001 0.000 0.247 145 V C 2.868 179.153 176.094 0.317 0.000 1.051 145 V CA 2.079 64.599 62.300 0.365 0.000 1.018 145 V CB -1.637 30.368 31.823 0.303 0.000 0.641 145 V HN 0.600 nan 8.190 nan 0.000 0.445 146 G N -0.080 108.852 108.800 0.218 0.000 2.469 146 G HA2 -0.206 3.755 3.960 0.001 0.000 0.220 146 G HA3 -0.206 3.755 3.960 0.001 0.000 0.220 146 G C 1.586 176.575 174.900 0.148 0.000 1.136 146 G CA 1.130 46.317 45.100 0.146 0.000 0.759 146 G HN 0.616 nan 8.290 nan 0.000 0.562 147 G N -0.458 108.450 108.800 0.180 0.000 2.394 147 G HA2 -0.131 3.830 3.960 0.001 0.000 0.215 147 G HA3 -0.131 3.830 3.960 0.001 0.000 0.215 147 G C 1.616 176.693 174.900 0.294 0.000 1.165 147 G CA 0.688 45.905 45.100 0.195 0.000 0.784 147 G HN 0.498 nan 8.290 nan 0.000 0.535 148 Y N -0.041 120.475 120.300 0.359 0.000 2.242 148 Y HA -0.068 4.483 4.550 0.001 0.000 0.291 148 Y C 2.997 179.064 175.900 0.278 0.000 1.137 148 Y CA 0.387 58.678 58.100 0.319 0.000 1.181 148 Y CB 0.173 38.803 38.460 0.284 0.000 0.989 148 Y HN 0.060 nan 8.280 nan 0.000 0.527 149 V N -0.448 119.699 119.914 0.388 0.000 2.323 149 V HA -0.263 3.858 4.120 0.001 0.000 0.244 149 V C 2.419 178.645 176.094 0.220 0.000 1.041 149 V CA 2.296 64.769 62.300 0.288 0.000 1.025 149 V CB -0.965 31.009 31.823 0.252 0.000 0.656 149 V HN 0.591 nan 8.190 nan 0.000 0.451 150 T N -2.673 111.983 114.554 0.171 0.000 2.867 150 T HA -0.136 4.215 4.350 0.001 0.000 0.268 150 T C 1.902 176.788 174.700 0.310 0.000 1.057 150 T CA 1.731 63.931 62.100 0.167 0.000 1.136 150 T CB -0.281 68.486 68.868 -0.169 0.000 0.874 150 T HN 0.392 nan 8.240 nan 0.000 0.466 151 S N 0.596 116.364 115.700 0.114 0.000 2.388 151 S HA 0.283 4.753 4.470 0.001 0.000 0.223 151 S C 1.123 175.302 174.600 -0.701 0.000 1.034 151 S CA 0.485 58.516 58.200 -0.281 0.000 0.963 151 S CB -0.223 62.640 63.200 -0.562 0.000 0.827 151 S HN 0.601 nan 8.310 nan 0.000 0.481 152 F N -0.067 119.862 119.950 -0.035 0.000 2.746 152 F HA 0.387 4.915 4.527 0.001 0.000 0.313 152 F C 1.741 177.482 175.800 -0.098 0.000 1.095 152 F CA 0.167 58.072 58.000 -0.159 0.000 1.224 152 F CB 0.251 39.163 39.000 -0.146 0.000 1.060 152 F HN 0.273 nan 8.300 nan 0.000 0.584 153 G N 0.661 109.559 108.800 0.162 0.000 2.162 153 G HA2 -0.229 3.732 3.960 0.001 0.000 0.260 153 G HA3 -0.229 3.732 3.960 0.001 0.000 0.260 153 G C 0.036 175.063 174.900 0.211 0.000 0.976 153 G CA 0.101 45.298 45.100 0.162 0.000 0.655 153 G HN 0.154 nan 8.290 nan 0.000 0.533 154 K N -0.100 120.454 120.400 0.257 0.000 2.546 154 K HA 0.443 4.764 4.320 0.001 0.000 0.264 154 K C -0.838 175.921 176.600 0.264 0.000 0.937 154 K CA -0.886 55.565 56.287 0.273 0.000 0.833 154 K CB 1.906 34.566 32.500 0.266 0.000 1.378 154 K HN 0.116 nan 8.250 nan 0.000 0.432 155 D N 1.667 122.233 120.400 0.276 0.000 2.398 155 D HA 0.199 4.840 4.640 0.001 0.000 0.247 155 D C -0.635 175.634 176.300 -0.050 0.000 1.227 155 D CA 0.883 55.020 54.000 0.229 0.000 0.980 155 D CB 0.636 41.653 40.800 0.360 0.000 1.106 155 D HN 0.366 nan 8.370 nan 0.000 0.493 156 E N -1.063 118.972 120.200 -0.275 0.000 8.073 156 E HA -0.102 4.249 4.350 0.001 0.000 0.466 156 E C -2.401 173.527 176.600 -1.121 0.000 0.782 156 E CA -0.091 56.006 56.400 -0.505 0.000 1.366 156 E CB -1.329 28.307 29.700 -0.107 0.000 0.986 156 E HN 0.408 nan 8.360 nan 0.000 0.263 157 P HA 0.010 nan 4.420 nan 0.000 0.269 157 P C 1.099 177.984 177.300 -0.692 0.000 1.209 157 P CA -0.024 62.569 63.100 -0.845 0.000 0.776 157 P CB 0.222 31.348 31.700 -0.958 0.000 0.876 158 M N 0.198 119.470 119.600 -0.547 0.000 2.556 158 M HA 0.233 4.714 4.480 0.001 0.000 0.245 158 M C 0.582 176.671 176.300 -0.352 0.000 1.128 158 M CA 0.511 55.471 55.300 -0.568 0.000 1.069 158 M CB -1.236 31.040 32.600 -0.539 0.000 1.469 158 M HN 0.188 nan 8.290 nan 0.000 0.494 159 G N 0.925 109.616 108.800 -0.180 0.000 2.753 159 G HA2 0.660 4.621 3.960 0.001 0.000 0.285 159 G HA3 0.660 4.621 3.960 0.001 0.000 0.285 159 G C -0.895 174.071 174.900 0.110 0.000 1.344 159 G CA 0.085 45.190 45.100 0.007 0.000 1.050 159 G HN 0.474 nan 8.290 nan 0.000 0.532 160 T N -4.116 110.490 114.554 0.088 0.000 2.841 160 T HA 0.357 4.708 4.350 0.001 0.000 0.296 160 T C 0.613 175.181 174.700 -0.220 0.000 1.166 160 T CA -0.679 61.396 62.100 -0.042 0.000 1.007 160 T CB 0.963 69.739 68.868 -0.153 0.000 1.253 160 T HN 0.459 nan 8.240 nan 0.000 0.511 161 Y N 0.397 120.510 120.300 -0.312 0.000 2.241 161 Y HA -0.061 4.490 4.550 0.001 0.000 0.286 161 Y C 2.993 178.765 175.900 -0.213 0.000 1.166 161 Y CA 0.562 58.435 58.100 -0.378 0.000 1.203 161 Y CB -0.386 37.883 38.460 -0.320 0.000 0.977 161 Y HN 0.823 nan 8.280 nan 0.000 0.529 162 A N -0.001 122.826 122.820 0.013 0.000 2.125 162 A HA -0.183 4.138 4.320 0.001 0.000 0.219 162 A C 1.669 179.248 177.584 -0.008 0.000 1.156 162 A CA 1.564 53.607 52.037 0.010 0.000 0.671 162 A CB -0.461 18.539 19.000 -0.001 0.000 0.794 162 A HN 0.395 nan 8.150 nan 0.000 0.459 163 D N -0.088 120.290 120.400 -0.036 0.000 2.310 163 D HA -0.076 4.565 4.640 0.001 0.000 0.212 163 D C 1.657 177.955 176.300 -0.004 0.000 0.965 163 D CA 0.796 54.775 54.000 -0.034 0.000 0.879 163 D CB -0.093 40.678 40.800 -0.048 0.000 0.921 163 D HN 0.570 nan 8.370 nan 0.000 0.510 164 I N 1.114 121.709 120.570 0.042 0.000 2.315 164 I HA -0.217 3.953 4.170 0.001 0.000 0.248 164 I C 1.563 177.795 176.117 0.191 0.000 1.117 164 I CA 0.889 62.307 61.300 0.198 0.000 1.404 164 I CB -0.043 38.025 38.000 0.113 0.000 1.071 164 I HN -0.205 nan 8.210 nan 0.000 0.419 165 D N 0.414 120.862 120.400 0.079 0.000 2.350 165 D HA -0.149 4.492 4.640 0.001 0.000 0.216 165 D C 1.787 178.111 176.300 0.041 0.000 0.968 165 D CA 1.027 55.061 54.000 0.057 0.000 0.894 165 D CB 0.007 40.823 40.800 0.027 0.000 0.909 165 D HN 0.472 nan 8.370 nan 0.000 0.520 166 Q N -0.915 118.895 119.800 0.016 0.000 2.140 166 Q HA 0.331 4.672 4.340 0.001 0.000 0.227 166 Q C 0.171 176.123 176.000 -0.080 0.000 0.798 166 Q CA -0.230 55.560 55.803 -0.022 0.000 0.987 166 Q CB 1.417 30.141 28.738 -0.023 0.000 1.161 166 Q HN 0.069 nan 8.270 nan 0.000 0.480 167 A N 0.052 122.776 122.820 -0.160 0.000 2.366 167 A HA 0.283 4.604 4.320 0.001 0.000 0.249 167 A C 0.736 178.140 177.584 -0.300 0.000 1.084 167 A CA 0.239 52.060 52.037 -0.361 0.000 0.794 167 A CB 0.693 19.180 19.000 -0.856 0.000 1.034 167 A HN 0.078 nan 8.150 nan 0.000 0.491 168 T N -0.893 113.487 114.554 -0.291 0.000 2.975 168 T HA 0.225 4.576 4.350 0.001 0.000 0.261 168 T C -0.272 174.349 174.700 -0.132 0.000 0.984 168 T CA 0.702 62.715 62.100 -0.145 0.000 0.911 168 T CB -0.275 68.539 68.868 -0.090 0.000 1.127 168 T HN 0.892 nan 8.240 nan 0.000 0.514 169 C N 1.212 120.352 119.300 -0.267 0.000 2.782 169 C HA 0.759 5.220 4.460 0.001 0.000 0.328 169 C C -2.085 172.723 174.990 -0.304 0.000 1.145 169 C CA -1.218 57.714 59.018 -0.143 0.000 1.358 169 C CB 0.044 27.719 27.740 -0.108 0.000 1.841 169 C HN 0.320 nan 8.230 nan 0.000 0.477 170 F N 4.873 124.880 119.950 0.096 0.000 2.477 170 F HA 0.533 5.061 4.527 0.001 0.000 0.335 170 F C -0.392 175.575 175.800 0.277 0.000 1.130 170 F CA -0.590 57.502 58.000 0.154 0.000 0.948 170 F CB 1.495 40.563 39.000 0.113 0.000 1.154 170 F HN 0.597 nan 8.300 nan 0.000 0.439 171 F N 5.862 126.014 119.950 0.337 0.000 2.334 171 F HA 0.629 5.157 4.527 0.002 0.000 0.367 171 F C -0.820 175.214 175.800 0.391 0.000 1.115 171 F CA -1.338 56.886 58.000 0.373 0.000 1.116 171 F CB 0.367 39.658 39.000 0.486 0.000 1.230 171 F HN 0.280 nan 8.300 nan 0.000 0.484 172 I N 8.711 129.287 120.570 0.010 0.000 2.405 172 I HA 0.379 4.550 4.170 0.001 0.000 0.280 172 I C -0.706 175.336 176.117 -0.126 0.000 1.027 172 I CA -0.408 60.907 61.300 0.024 0.000 1.161 172 I CB 1.252 39.320 38.000 0.112 0.000 1.300 172 I HN 0.549 nan 8.210 nan 0.000 0.463 173 I N 4.971 125.467 120.570 -0.123 0.000 2.509 173 I HA 0.622 4.792 4.170 0.001 0.000 0.293 173 I C 0.958 177.142 176.117 0.112 0.000 1.020 173 I CA -0.115 61.129 61.300 -0.094 0.000 1.088 173 I CB 1.738 39.565 38.000 -0.288 0.000 1.267 173 I HN 0.738 nan 8.210 nan 0.000 0.430 174 G N 4.547 113.425 108.800 0.129 0.000 2.323 174 G HA2 -0.234 3.727 3.960 0.001 0.000 0.292 174 G HA3 -0.234 3.727 3.960 0.001 0.000 0.292 174 G C -0.123 174.866 174.900 0.148 0.000 1.040 174 G CA 0.675 45.864 45.100 0.147 0.000 0.942 174 G HN 0.934 nan 8.290 nan 0.000 0.506 175 S N -0.677 115.089 115.700 0.110 0.000 2.689 175 S HA 0.458 4.928 4.470 0.001 0.000 0.274 175 S C -0.437 174.193 174.600 0.050 0.000 1.176 175 S CA -0.242 58.020 58.200 0.102 0.000 1.014 175 S CB 0.800 64.066 63.200 0.110 0.000 1.071 175 S HN 0.554 nan 8.310 nan 0.000 0.478 176 N N 4.077 122.800 118.700 0.039 0.000 3.105 176 N HA 0.158 4.899 4.740 0.001 0.000 0.256 176 N C 0.756 176.232 175.510 -0.056 0.000 1.174 176 N CA -0.314 52.713 53.050 -0.038 0.000 1.030 176 N CB 0.349 38.813 38.487 -0.038 0.000 1.305 176 N HN 0.632 nan 8.380 nan 0.000 0.509 177 T N -0.663 113.848 114.554 -0.071 0.000 2.867 177 T HA -0.159 4.191 4.350 0.001 0.000 0.268 177 T C 1.967 176.600 174.700 -0.112 0.000 1.057 177 T CA 0.997 63.115 62.100 0.030 0.000 1.136 177 T CB -0.066 68.865 68.868 0.105 0.000 0.874 177 T HN 0.432 nan 8.240 nan 0.000 0.466 178 S N 1.080 116.446 115.700 -0.555 0.000 2.383 178 S HA -0.121 4.350 4.470 0.001 0.000 0.227 178 S C 1.943 176.384 174.600 -0.265 0.000 1.026 178 S CA 1.094 58.855 58.200 -0.732 0.000 0.981 178 S CB -0.193 62.313 63.200 -1.156 0.000 0.818 178 S HN 0.590 nan 8.310 nan 0.000 0.472 179 E N -0.203 119.877 120.200 -0.200 0.000 2.307 179 E HA 0.244 4.595 4.350 0.001 0.000 0.195 179 E C 1.905 178.439 176.600 -0.109 0.000 0.975 179 E CA 0.591 56.916 56.400 -0.124 0.000 0.878 179 E CB 0.063 29.703 29.700 -0.101 0.000 0.845 179 E HN 0.590 nan 8.360 nan 0.000 0.488 180 A N 0.513 123.275 122.820 -0.097 0.000 2.197 180 A HA 0.071 4.392 4.320 0.001 0.000 0.210 180 A C 0.171 177.474 177.584 -0.468 0.000 1.180 180 A CA 0.308 52.225 52.037 -0.199 0.000 0.846 180 A CB 0.022 18.952 19.000 -0.117 0.000 0.884 180 A HN 0.124 nan 8.150 nan 0.000 0.487 181 H N -1.603 117.471 119.070 0.007 0.000 2.600 181 H HA 0.258 4.815 4.556 0.001 0.000 0.224 181 H C -2.461 172.884 175.328 0.028 0.000 1.413 181 H CA -1.151 54.910 56.048 0.022 0.000 1.401 181 H CB 0.655 30.424 29.762 0.011 0.000 1.772 181 H HN 0.149 nan 8.280 nan 0.000 0.528 182 P HA -0.171 nan 4.420 nan 0.000 0.215 182 P C 1.649 179.008 177.300 0.098 0.000 1.157 182 P CA 0.805 63.961 63.100 0.093 0.000 0.863 182 P CB 0.475 32.192 31.700 0.028 0.000 0.787 183 V N 0.008 119.952 119.914 0.051 0.000 2.392 183 V HA -0.219 3.902 4.120 0.001 0.000 0.249 183 V C 2.487 178.570 176.094 -0.017 0.000 1.059 183 V CA 1.477 63.785 62.300 0.014 0.000 1.051 183 V CB -1.202 30.626 31.823 0.008 0.000 0.658 183 V HN 0.120 nan 8.190 nan 0.000 0.455 184 L N -0.878 120.333 121.223 -0.020 0.000 2.017 184 L HA -0.171 4.170 4.340 0.001 0.000 0.208 184 L C 2.375 179.204 176.870 -0.068 0.000 1.073 184 L CA 2.339 57.110 54.840 -0.116 0.000 0.745 184 L CB -0.930 41.037 42.059 -0.154 0.000 0.894 184 L HN 0.439 nan 8.230 nan 0.000 0.432 185 F N 0.990 120.876 119.950 -0.106 0.000 2.202 185 F HA -0.241 4.287 4.527 0.001 0.000 0.301 185 F C 2.786 178.507 175.800 -0.130 0.000 1.082 185 F CA 1.639 59.566 58.000 -0.121 0.000 1.313 185 F CB -0.363 38.594 39.000 -0.071 0.000 1.024 185 F HN 0.030 nan 8.300 nan 0.000 0.495 186 R N 0.293 120.690 120.500 -0.172 0.000 2.092 186 R HA -0.141 4.200 4.340 0.001 0.000 0.231 186 R C 2.547 178.697 176.300 -0.250 0.000 1.119 186 R CA 1.206 57.166 56.100 -0.234 0.000 0.970 186 R CB -0.393 29.852 30.300 -0.091 0.000 0.864 186 R HN 0.247 nan 8.270 nan 0.000 0.440 187 R N 0.408 120.789 120.500 -0.198 0.000 2.120 187 R HA -0.081 4.259 4.340 0.001 0.000 0.234 187 R C 2.212 178.368 176.300 -0.239 0.000 1.123 187 R CA 1.389 57.387 56.100 -0.171 0.000 0.975 187 R CB -0.153 30.069 30.300 -0.131 0.000 0.866 187 R HN 0.291 nan 8.270 nan 0.000 0.446 188 I N 0.056 120.394 120.570 -0.388 0.000 2.233 188 I HA -0.199 3.972 4.170 0.001 0.000 0.243 188 I C 2.578 178.381 176.117 -0.524 0.000 1.093 188 I CA 1.057 61.992 61.300 -0.608 0.000 1.380 188 I CB -0.466 37.047 38.000 -0.811 0.000 1.067 188 I HN 0.168 nan 8.210 nan 0.000 0.413 189 A N 1.213 123.671 122.820 -0.604 0.000 1.892 189 A HA -0.316 4.005 4.320 0.001 0.000 0.218 189 A C 2.355 179.784 177.584 -0.258 0.000 1.188 189 A CA 2.471 54.223 52.037 -0.474 0.000 0.631 189 A CB -0.708 17.948 19.000 -0.574 0.000 0.822 189 A HN 0.365 nan 8.150 nan 0.000 0.447 190 R N -0.348 120.022 120.500 -0.216 0.000 2.081 190 R HA -0.164 4.176 4.340 0.001 0.000 0.235 190 R C 2.240 178.492 176.300 -0.079 0.000 1.131 190 R CA 1.983 58.009 56.100 -0.123 0.000 0.960 190 R CB -0.423 29.816 30.300 -0.102 0.000 0.856 190 R HN 0.418 nan 8.270 nan 0.000 0.436 191 R N 0.963 121.419 120.500 -0.073 0.000 2.096 191 R HA -0.151 4.189 4.340 0.001 0.000 0.240 191 R C 2.004 178.320 176.300 0.027 0.000 1.139 191 R CA 2.367 58.474 56.100 0.012 0.000 0.952 191 R CB -0.415 29.953 30.300 0.114 0.000 0.854 191 R HN 0.345 nan 8.270 nan 0.000 0.436 192 K N -0.284 120.109 120.400 -0.012 0.000 2.217 192 K HA -0.121 4.199 4.320 0.001 0.000 0.202 192 K C 2.055 178.652 176.600 -0.005 0.000 1.051 192 K CA 1.340 57.635 56.287 0.013 0.000 0.952 192 K CB -0.024 32.470 32.500 -0.009 0.000 0.736 192 K HN 0.381 nan 8.250 nan 0.000 0.453 193 Q N 0.147 119.928 119.800 -0.032 0.000 2.187 193 Q HA -0.080 4.261 4.340 0.001 0.000 0.199 193 Q C 1.715 177.707 176.000 -0.013 0.000 0.957 193 Q CA 0.976 56.763 55.803 -0.027 0.000 0.857 193 Q CB 0.297 29.007 28.738 -0.047 0.000 0.929 193 Q HN 0.185 nan 8.270 nan 0.000 0.453 194 V N 0.706 120.614 119.914 -0.009 0.000 2.379 194 V HA -0.119 4.002 4.120 0.001 0.000 0.245 194 V C 0.798 176.897 176.094 0.008 0.000 1.044 194 V CA 1.565 63.864 62.300 -0.002 0.000 1.036 194 V CB 0.016 31.839 31.823 0.001 0.000 0.664 194 V HN 0.270 nan 8.190 nan 0.000 0.453 195 E N -0.537 119.674 120.200 0.017 0.000 2.437 195 E HA 0.291 4.642 4.350 0.001 0.000 0.238 195 E C -2.121 174.497 176.600 0.030 0.000 0.969 195 E CA -2.675 53.739 56.400 0.023 0.000 0.759 195 E CB 1.544 31.261 29.700 0.028 0.000 1.283 195 E HN 0.145 nan 8.360 nan 0.000 0.416 196 P HA -0.080 nan 4.420 nan 0.000 0.220 196 P C 1.107 178.429 177.300 0.036 0.000 1.144 196 P CA 1.278 64.394 63.100 0.026 0.000 0.800 196 P CB 0.358 32.070 31.700 0.020 0.000 0.772 197 G N -0.517 108.304 108.800 0.035 0.000 2.471 197 G HA2 -0.129 3.832 3.960 0.001 0.000 0.219 197 G HA3 -0.129 3.832 3.960 0.001 0.000 0.219 197 G C 0.524 175.453 174.900 0.049 0.000 1.125 197 G CA 0.001 45.123 45.100 0.038 0.000 0.775 197 G HN 0.186 nan 8.290 nan 0.000 0.548 198 V N 1.037 120.989 119.914 0.062 0.000 2.617 198 V HA 0.070 4.191 4.120 0.001 0.000 0.304 198 V C 0.296 176.459 176.094 0.115 0.000 1.040 198 V CA 0.563 62.919 62.300 0.093 0.000 1.149 198 V CB 0.772 32.684 31.823 0.148 0.000 0.914 198 V HN 0.283 nan 8.190 nan 0.000 0.487 199 K N 5.835 126.310 120.400 0.124 0.000 2.182 199 K HA 0.674 4.995 4.320 0.001 0.000 0.262 199 K C -0.882 175.849 176.600 0.217 0.000 0.957 199 K CA -0.466 55.907 56.287 0.144 0.000 0.842 199 K CB 1.897 34.470 32.500 0.123 0.000 1.099 199 K HN 0.495 nan 8.250 nan 0.000 0.438 200 I N 4.137 124.835 120.570 0.213 0.000 2.436 200 I HA 0.332 4.503 4.170 0.001 0.000 0.289 200 I C -0.619 175.638 176.117 0.233 0.000 1.010 200 I CA -0.894 60.559 61.300 0.255 0.000 1.098 200 I CB 1.475 39.585 38.000 0.183 0.000 1.266 200 I HN 0.362 nan 8.210 nan 0.000 0.434 201 I N 7.216 127.962 120.570 0.293 0.000 2.354 201 I HA 0.319 4.490 4.170 0.001 0.000 0.286 201 I C -0.250 175.998 176.117 0.219 0.000 1.007 201 I CA -0.668 60.809 61.300 0.294 0.000 1.167 201 I CB 1.476 39.753 38.000 0.461 0.000 1.320 201 I HN 0.146 nan 8.210 nan 0.000 0.458 202 V N 5.897 125.900 119.914 0.148 0.000 2.333 202 V HA 0.540 4.661 4.120 0.001 0.000 0.274 202 V C 0.596 176.708 176.094 0.031 0.000 1.028 202 V CA -0.525 61.825 62.300 0.083 0.000 0.851 202 V CB 1.433 33.300 31.823 0.074 0.000 1.000 202 V HN 0.839 nan 8.190 nan 0.000 0.456 203 A N 4.270 127.016 122.820 -0.124 0.000 2.258 203 A HA 0.759 5.080 4.320 0.001 0.000 0.316 203 A C -0.533 176.919 177.584 -0.220 0.000 1.279 203 A CA -0.258 51.543 52.037 -0.393 0.000 0.876 203 A CB 0.524 19.277 19.000 -0.412 0.000 1.170 203 A HN 0.749 nan 8.150 nan 0.000 0.520 204 D N 3.243 123.480 120.400 -0.271 0.000 2.795 204 D HA 0.257 4.898 4.640 0.001 0.000 0.206 204 D C -2.602 173.739 176.300 0.068 0.000 1.278 204 D CA -0.939 53.097 54.000 0.060 0.000 0.839 204 D CB 2.089 42.941 40.800 0.086 0.000 1.700 204 D HN 0.085 nan 8.370 nan 0.000 0.549 205 P HA -0.038 nan 4.420 nan 0.000 0.219 205 P C 0.120 177.496 177.300 0.127 0.000 1.146 205 P CA 0.940 64.116 63.100 0.127 0.000 0.808 205 P CB 0.301 32.075 31.700 0.123 0.000 0.779 206 R N -0.152 120.431 120.500 0.137 0.000 2.528 206 R HA 0.361 4.701 4.340 0.001 0.000 0.271 206 R C 0.579 176.938 176.300 0.097 0.000 1.056 206 R CA -0.642 55.528 56.100 0.116 0.000 1.117 206 R CB 0.829 31.175 30.300 0.077 0.000 1.085 206 R HN -0.090 nan 8.270 nan 0.000 0.530 207 R N 1.833 122.342 120.500 0.015 0.000 2.247 207 R HA 0.149 4.489 4.340 0.001 0.000 0.329 207 R C -0.703 175.498 176.300 -0.165 0.000 1.014 207 R CA -0.127 55.841 56.100 -0.220 0.000 0.907 207 R CB 0.647 30.884 30.300 -0.104 0.000 1.146 207 R HN 0.804 nan 8.270 nan 0.000 0.499 208 T N -0.146 114.283 114.554 -0.207 0.000 2.919 208 T HA 0.224 4.575 4.350 0.001 0.000 0.282 208 T C 1.143 175.740 174.700 -0.171 0.000 1.020 208 T CA -0.947 61.067 62.100 -0.144 0.000 0.994 208 T CB 1.148 69.939 68.868 -0.127 0.000 1.180 208 T HN 0.411 nan 8.240 nan 0.000 0.566 209 N N 0.721 119.322 118.700 -0.164 0.000 2.184 209 N HA -0.137 4.603 4.740 0.001 0.000 0.190 209 N C 1.843 177.214 175.510 -0.232 0.000 1.011 209 N CA 1.805 54.751 53.050 -0.173 0.000 0.867 209 N CB -1.051 37.323 38.487 -0.189 0.000 0.993 209 N HN 0.736 nan 8.380 nan 0.000 0.433 210 T N 0.644 114.979 114.554 -0.364 0.000 2.759 210 T HA -0.134 4.217 4.350 0.001 0.000 0.269 210 T C 2.162 176.833 174.700 -0.048 0.000 1.042 210 T CA 1.636 63.502 62.100 -0.391 0.000 1.140 210 T CB -0.350 68.325 68.868 -0.321 0.000 0.864 210 T HN 0.507 nan 8.240 nan 0.000 0.455 211 S N 1.353 116.982 115.700 -0.119 0.000 2.515 211 S HA 0.018 4.489 4.470 0.001 0.000 0.231 211 S C 1.869 176.455 174.600 -0.023 0.000 0.987 211 S CA 0.116 58.255 58.200 -0.102 0.000 0.936 211 S CB -0.256 62.733 63.200 -0.353 0.000 0.766 211 S HN 0.309 nan 8.310 nan 0.000 0.528 212 R N 1.317 121.819 120.500 0.003 0.000 2.276 212 R HA 0.202 4.543 4.340 0.001 0.000 0.203 212 R C 1.890 178.232 176.300 0.071 0.000 1.017 212 R CA 0.975 57.093 56.100 0.030 0.000 1.010 212 R CB -0.624 29.690 30.300 0.023 0.000 0.900 212 R HN 0.803 nan 8.270 nan 0.000 0.469 213 I N -3.002 117.641 120.570 0.121 0.000 3.956 213 I HA 0.325 4.496 4.170 0.001 0.000 0.333 213 I C 0.563 176.722 176.117 0.070 0.000 1.302 213 I CA -0.340 61.007 61.300 0.078 0.000 1.122 213 I CB 0.319 38.333 38.000 0.024 0.000 1.013 213 I HN -0.248 nan 8.210 nan 0.000 0.405 214 A N 1.413 124.285 122.820 0.086 0.000 2.327 214 A HA 0.251 4.572 4.320 0.001 0.000 0.283 214 A C 0.677 178.320 177.584 0.098 0.000 1.127 214 A CA -0.356 51.741 52.037 0.101 0.000 0.810 214 A CB 0.251 19.317 19.000 0.109 0.000 1.066 214 A HN 0.378 nan 8.150 nan 0.000 0.492 215 D N 0.810 121.277 120.400 0.113 0.000 2.269 215 D HA -0.018 4.623 4.640 0.001 0.000 0.208 215 D C 0.333 176.703 176.300 0.116 0.000 0.963 215 D CA 1.322 55.386 54.000 0.107 0.000 0.864 215 D CB 0.164 41.033 40.800 0.114 0.000 0.936 215 D HN 0.621 nan 8.370 nan 0.000 0.505 216 M N 0.179 119.860 119.600 0.136 0.000 2.325 216 M HA 0.106 4.587 4.480 0.001 0.000 0.285 216 M C -2.086 174.308 176.300 0.156 0.000 1.119 216 M CA -0.494 54.888 55.300 0.137 0.000 0.959 216 M CB 3.020 35.708 32.600 0.148 0.000 1.737 216 M HN -0.173 nan 8.290 nan 0.000 0.486 217 H N 4.788 123.864 119.070 0.011 0.000 2.551 217 H HA 0.584 5.141 4.556 0.001 0.000 0.321 217 H C -1.821 173.435 175.328 -0.120 0.000 1.028 217 H CA -0.614 55.402 56.048 -0.052 0.000 1.215 217 H CB 1.379 31.114 29.762 -0.046 0.000 1.414 217 H HN 0.563 nan 8.280 nan 0.000 0.480 218 V N 5.249 124.858 119.914 -0.508 0.000 2.318 218 V HA 0.256 4.376 4.120 0.001 0.000 0.271 218 V C 0.628 176.056 176.094 -1.111 0.000 1.030 218 V CA -0.403 61.462 62.300 -0.725 0.000 0.844 218 V CB 0.635 31.995 31.823 -0.771 0.000 1.015 218 V HN 0.867 nan 8.190 nan 0.000 0.460 219 A N 6.656 128.935 122.820 -0.900 0.000 3.157 219 A HA 0.610 4.931 4.320 0.001 0.000 0.276 219 A C 0.128 177.539 177.584 -0.289 0.000 1.524 219 A CA -0.486 51.169 52.037 -0.638 0.000 1.236 219 A CB -0.719 18.025 19.000 -0.428 0.000 1.173 219 A HN 0.659 nan 8.150 nan 0.000 0.595 220 F N -0.886 118.916 119.950 -0.246 0.000 2.444 220 F HA 0.496 5.024 4.527 0.001 0.000 0.331 220 F C 0.769 176.490 175.800 -0.131 0.000 1.167 220 F CA -2.032 55.859 58.000 -0.182 0.000 1.262 220 F CB 0.239 39.097 39.000 -0.237 0.000 1.196 220 F HN 0.433 nan 8.300 nan 0.000 0.583 221 R N 2.040 122.632 120.500 0.153 0.000 2.522 221 R HA 0.186 4.527 4.340 0.001 0.000 0.284 221 R C -2.587 173.592 176.300 -0.202 0.000 1.032 221 R CA -1.239 54.861 56.100 0.001 0.000 1.049 221 R CB -0.133 30.195 30.300 0.047 0.000 0.956 221 R HN 0.372 nan 8.270 nan 0.000 0.422 222 P HA -0.020 nan 4.420 nan 0.000 0.262 222 P C 0.116 177.104 177.300 -0.519 0.000 1.182 222 P CA 1.334 64.098 63.100 -0.561 0.000 0.761 222 P CB 0.753 31.891 31.700 -0.938 0.000 0.795 223 G N 2.322 110.914 108.800 -0.346 0.000 2.175 223 G HA2 -0.249 3.712 3.960 0.001 0.000 0.244 223 G HA3 -0.249 3.712 3.960 0.001 0.000 0.244 223 G C 0.631 175.417 174.900 -0.191 0.000 0.982 223 G CA 0.427 45.392 45.100 -0.226 0.000 0.641 223 G HN 0.662 nan 8.290 nan 0.000 0.527 224 T N -1.322 113.074 114.554 -0.264 0.000 3.176 224 T HA 0.355 4.706 4.350 0.001 0.000 0.263 224 T C 1.488 176.015 174.700 -0.289 0.000 1.021 224 T CA 1.027 63.021 62.100 -0.175 0.000 0.905 224 T CB 0.202 69.031 68.868 -0.065 0.000 1.057 224 T HN 0.297 nan 8.240 nan 0.000 0.558 225 D N 1.446 121.508 120.400 -0.562 0.000 2.269 225 D HA -0.019 4.622 4.640 0.001 0.000 0.208 225 D C 1.699 177.892 176.300 -0.178 0.000 0.963 225 D CA 0.206 53.830 54.000 -0.627 0.000 0.864 225 D CB -0.494 39.745 40.800 -0.935 0.000 0.936 225 D HN 0.368 nan 8.370 nan 0.000 0.505 226 L N 0.867 121.987 121.223 -0.172 0.000 2.017 226 L HA -0.043 4.298 4.340 0.001 0.000 0.208 226 L C 2.696 179.438 176.870 -0.212 0.000 1.073 226 L CA 1.783 56.510 54.840 -0.189 0.000 0.745 226 L CB -0.797 41.190 42.059 -0.121 0.000 0.894 226 L HN 0.128 nan 8.230 nan 0.000 0.432 227 A N -0.976 121.818 122.820 -0.045 0.000 1.908 227 A HA -0.281 4.039 4.320 0.001 0.000 0.218 227 A C 2.282 179.898 177.584 0.053 0.000 1.181 227 A CA 1.729 53.803 52.037 0.061 0.000 0.627 227 A CB -1.043 18.085 19.000 0.214 0.000 0.818 227 A HN 0.399 nan 8.150 nan 0.000 0.445 228 F N 0.131 120.058 119.950 -0.040 0.000 2.126 228 F HA -0.200 4.328 4.527 0.001 0.000 0.299 228 F C 2.309 178.102 175.800 -0.012 0.000 1.096 228 F CA 2.194 60.214 58.000 0.033 0.000 1.255 228 F CB -0.156 38.943 39.000 0.166 0.000 0.997 228 F HN 0.156 nan 8.300 nan 0.000 0.479 229 M N -1.493 118.126 119.600 0.031 0.000 2.349 229 M HA -0.132 4.349 4.480 0.001 0.000 0.266 229 M C 1.976 178.149 176.300 -0.211 0.000 1.076 229 M CA 0.670 55.906 55.300 -0.107 0.000 1.126 229 M CB -0.536 32.021 32.600 -0.072 0.000 1.392 229 M HN 0.112 nan 8.290 nan 0.000 0.440 230 H N -0.875 118.056 119.070 -0.232 0.000 2.389 230 H HA -0.021 4.536 4.556 0.001 0.000 0.299 230 H C 2.437 177.659 175.328 -0.176 0.000 1.081 230 H CA 1.342 57.223 56.048 -0.279 0.000 1.345 230 H CB -0.211 29.084 29.762 -0.779 0.000 1.393 230 H HN 0.259 nan 8.280 nan 0.000 0.520 231 S N -0.158 115.500 115.700 -0.071 0.000 2.368 231 S HA -0.098 4.373 4.470 0.001 0.000 0.224 231 S C 2.248 176.743 174.600 -0.174 0.000 1.029 231 S CA 0.834 58.967 58.200 -0.113 0.000 0.988 231 S CB -0.054 63.007 63.200 -0.232 0.000 0.838 231 S HN 0.240 nan 8.310 nan 0.000 0.462 232 M N 1.023 120.426 119.600 -0.328 0.000 2.073 232 M HA -0.172 4.309 4.480 0.001 0.000 0.258 232 M C 2.423 178.612 176.300 -0.185 0.000 1.070 232 M CA 1.830 56.939 55.300 -0.319 0.000 1.103 232 M CB -0.620 31.720 32.600 -0.432 0.000 1.321 232 M HN 0.447 nan 8.290 nan 0.000 0.405 233 A N -0.757 121.974 122.820 -0.149 0.000 1.948 233 A HA -0.252 4.069 4.320 0.001 0.000 0.220 233 A C 1.865 179.388 177.584 -0.102 0.000 1.177 233 A CA 1.769 53.747 52.037 -0.099 0.000 0.636 233 A CB -1.339 17.648 19.000 -0.022 0.000 0.815 233 A HN 0.807 nan 8.150 nan 0.000 0.449 234 W N 0.261 121.435 121.300 -0.210 0.000 2.381 234 W HA -0.144 4.517 4.660 0.001 0.000 0.301 234 W C 1.971 178.401 176.519 -0.148 0.000 1.205 234 W CA 2.086 59.313 57.345 -0.197 0.000 1.285 234 W CB -0.177 29.177 29.460 -0.176 0.000 1.133 234 W HN 0.097 nan 8.180 nan 0.000 0.521 235 V N 1.143 121.155 119.914 0.165 0.000 2.427 235 V HA -0.310 3.811 4.120 0.001 0.000 0.248 235 V C 2.120 178.172 176.094 -0.070 0.000 1.051 235 V CA 1.997 64.342 62.300 0.075 0.000 1.048 235 V CB -0.814 31.026 31.823 0.027 0.000 0.666 235 V HN 0.208 nan 8.190 nan 0.000 0.456 236 I N -0.384 120.141 120.570 -0.076 0.000 2.142 236 I HA -0.269 3.902 4.170 0.001 0.000 0.240 236 I C 2.290 178.376 176.117 -0.051 0.000 1.078 236 I CA 1.937 63.215 61.300 -0.037 0.000 1.343 236 I CB -0.310 37.675 38.000 -0.025 0.000 1.046 236 I HN 0.197 nan 8.210 nan 0.000 0.405 237 I N 0.624 121.122 120.570 -0.121 0.000 2.226 237 I HA -0.321 3.850 4.170 0.001 0.000 0.245 237 I C 2.267 178.245 176.117 -0.231 0.000 1.100 237 I CA 1.635 62.867 61.300 -0.113 0.000 1.374 237 I CB -0.427 37.454 38.000 -0.198 0.000 1.057 237 I HN 0.307 nan 8.210 nan 0.000 0.413 238 N N 0.929 119.324 118.700 -0.508 0.000 2.223 238 N HA -0.198 4.543 4.740 0.001 0.000 0.185 238 N C 1.278 176.641 175.510 -0.244 0.000 1.016 238 N CA 1.246 53.947 53.050 -0.583 0.000 0.863 238 N CB 0.076 37.869 38.487 -1.157 0.000 0.983 238 N HN 0.338 nan 8.380 nan 0.000 0.429 239 E N 0.106 120.228 120.200 -0.131 0.000 2.419 239 E HA 0.051 4.401 4.350 0.001 0.000 0.190 239 E C -0.661 175.944 176.600 0.009 0.000 1.040 239 E CA -0.034 56.352 56.400 -0.023 0.000 0.900 239 E CB 0.187 29.909 29.700 0.036 0.000 1.054 239 E HN 0.357 nan 8.360 nan 0.000 0.462 240 E N 0.218 120.424 120.200 0.010 0.000 2.476 240 E HA -0.222 4.129 4.350 0.001 0.000 0.251 240 E C 0.378 177.026 176.600 0.080 0.000 1.130 240 E CA 0.048 56.484 56.400 0.060 0.000 0.736 240 E CB -1.359 28.372 29.700 0.052 0.000 1.298 240 E HN 0.389 nan 8.360 nan 0.000 0.400 241 L N 0.247 121.519 121.223 0.082 0.000 2.607 241 L HA 0.085 4.426 4.340 0.001 0.000 0.228 241 L C 1.383 178.337 176.870 0.141 0.000 1.123 241 L CA -0.126 54.773 54.840 0.098 0.000 0.890 241 L CB -0.274 41.836 42.059 0.085 0.000 1.103 241 L HN 0.250 nan 8.230 nan 0.000 0.468 242 D N -0.539 119.972 120.400 0.185 0.000 2.414 242 D HA -0.063 4.577 4.640 0.001 0.000 0.259 242 D C -0.082 176.394 176.300 0.295 0.000 1.269 242 D CA -0.322 53.846 54.000 0.280 0.000 1.028 242 D CB 0.860 41.888 40.800 0.380 0.000 1.093 242 D HN -0.146 nan 8.370 nan 0.000 0.545 243 N N 0.201 119.149 118.700 0.415 0.000 2.844 243 N HA 0.174 4.915 4.740 0.001 0.000 0.268 243 N C -2.018 173.580 175.510 0.146 0.000 1.574 243 N CA -1.983 51.248 53.050 0.302 0.000 0.838 243 N CB 0.973 39.651 38.487 0.318 0.000 1.177 243 N HN 0.083 nan 8.380 nan 0.000 0.495 244 P HA -0.194 nan 4.420 nan 0.000 0.216 244 P C 1.197 178.039 177.300 -0.763 0.000 1.154 244 P CA 1.134 63.634 63.100 -1.000 0.000 0.865 244 P CB 0.502 31.865 31.700 -0.562 0.000 0.789 245 R N -1.538 118.798 120.500 -0.274 0.000 2.096 245 R HA -0.079 4.262 4.340 0.001 0.000 0.235 245 R C 2.353 178.664 176.300 0.019 0.000 1.127 245 R CA 0.864 56.885 56.100 -0.131 0.000 0.968 245 R CB -1.466 28.833 30.300 -0.002 0.000 0.861 245 R HN 0.278 nan 8.270 nan 0.000 0.440 246 F N 1.422 121.406 119.950 0.055 0.000 2.060 246 F HA -0.211 4.317 4.527 0.001 0.000 0.295 246 F C 2.457 178.434 175.800 0.295 0.000 1.120 246 F CA 1.561 59.750 58.000 0.315 0.000 1.205 246 F CB -0.563 38.646 39.000 0.348 0.000 0.986 246 F HN 0.141 nan 8.300 nan 0.000 0.470 247 W N 0.611 122.057 121.300 0.243 0.000 2.402 247 W HA -0.110 4.551 4.660 0.001 0.000 0.286 247 W C 1.634 178.160 176.519 0.012 0.000 1.221 247 W CA 0.820 58.225 57.345 0.100 0.000 1.257 247 W CB -1.434 28.168 29.460 0.236 0.000 1.120 247 W HN 0.212 nan 8.180 nan 0.000 0.551 248 Q N 0.694 120.264 119.800 -0.384 0.000 2.226 248 Q HA -0.155 4.186 4.340 0.001 0.000 0.204 248 Q C 2.410 178.303 176.000 -0.180 0.000 0.975 248 Q CA 1.636 57.270 55.803 -0.283 0.000 0.866 248 Q CB -0.189 28.217 28.738 -0.554 0.000 0.915 248 Q HN 0.348 nan 8.270 nan 0.000 0.440 249 R N -1.096 119.221 120.500 -0.305 0.000 2.175 249 R HA 0.017 4.358 4.340 0.001 0.000 0.202 249 R C 0.617 176.566 176.300 -0.585 0.000 1.018 249 R CA 0.562 56.347 56.100 -0.525 0.000 1.029 249 R CB 0.524 30.333 30.300 -0.818 0.000 0.959 249 R HN 0.239 nan 8.270 nan 0.000 0.480 250 Y N -1.040 119.147 120.300 -0.189 0.000 2.500 250 Y HA 0.333 4.884 4.550 0.001 0.000 0.246 250 Y C -0.360 175.468 175.900 -0.120 0.000 1.146 250 Y CA -0.535 57.481 58.100 -0.139 0.000 1.230 250 Y CB 1.636 39.869 38.460 -0.379 0.000 1.214 250 Y HN -0.239 nan 8.280 nan 0.000 0.526 251 V N 0.962 120.862 119.914 -0.023 0.000 2.735 251 V HA 0.394 4.515 4.120 0.001 0.000 0.310 251 V C -0.801 175.188 176.094 -0.175 0.000 1.061 251 V CA -0.990 61.220 62.300 -0.150 0.000 0.913 251 V CB 2.117 33.838 31.823 -0.170 0.000 1.005 251 V HN 0.106 nan 8.190 nan 0.000 0.428 252 N N 1.588 120.083 118.700 -0.343 0.000 2.362 252 N HA 0.687 5.428 4.740 0.001 0.000 0.299 252 N C -1.400 173.775 175.510 -0.559 0.000 1.170 252 N CA -0.351 52.535 53.050 -0.273 0.000 0.825 252 N CB 2.076 40.435 38.487 -0.214 0.000 1.299 252 N HN 0.429 nan 8.380 nan 0.000 0.502 253 F N 0.786 120.552 119.950 -0.306 0.000 2.508 253 F HA 0.567 5.094 4.527 0.002 0.000 0.325 253 F C 0.230 175.763 175.800 -0.445 0.000 1.090 253 F CA -0.659 57.098 58.000 -0.405 0.000 0.945 253 F CB 1.447 40.266 39.000 -0.301 0.000 1.156 253 F HN -0.029 nan 8.300 nan 0.000 0.463 254 M N 2.411 121.775 119.600 -0.393 0.000 2.393 254 M HA 0.273 4.753 4.480 0.001 0.000 0.299 254 M C -1.097 175.055 176.300 -0.246 0.000 1.103 254 M CA -0.870 54.189 55.300 -0.401 0.000 0.910 254 M CB 2.031 34.129 32.600 -0.838 0.000 1.659 254 M HN 0.645 nan 8.290 nan 0.000 0.445 255 D N 1.600 121.909 120.400 -0.152 0.000 2.433 255 D HA 0.468 5.109 4.640 0.001 0.000 0.255 255 D C 1.148 177.378 176.300 -0.117 0.000 1.226 255 D CA -0.412 53.499 54.000 -0.149 0.000 1.015 255 D CB 0.505 41.266 40.800 -0.065 0.000 1.091 255 D HN 0.626 nan 8.370 nan 0.000 0.527 256 A N -0.439 122.316 122.820 -0.109 0.000 2.104 256 A HA -0.267 4.054 4.320 0.001 0.000 0.223 256 A C 1.719 179.324 177.584 0.035 0.000 1.164 256 A CA 1.782 53.813 52.037 -0.010 0.000 0.659 256 A CB -0.808 18.278 19.000 0.143 0.000 0.808 256 A HN 0.695 nan 8.150 nan 0.000 0.465 257 E N -2.297 117.929 120.200 0.044 0.000 2.498 257 E HA 0.329 4.680 4.350 0.001 0.000 0.203 257 E C 0.937 177.595 176.600 0.097 0.000 1.013 257 E CA 0.229 56.670 56.400 0.068 0.000 0.927 257 E CB 0.156 29.890 29.700 0.056 0.000 1.012 257 E HN 0.709 nan 8.360 nan 0.000 0.482 258 G N 2.308 111.182 108.800 0.123 0.000 2.160 258 G HA2 -0.260 3.701 3.960 0.001 0.000 0.251 258 G HA3 -0.260 3.701 3.960 0.001 0.000 0.251 258 G C -0.004 174.949 174.900 0.089 0.000 1.008 258 G CA 0.191 45.427 45.100 0.226 0.000 0.724 258 G HN -0.010 nan 8.290 nan 0.000 0.514 259 K N 0.400 120.813 120.400 0.023 0.000 2.143 259 K HA 0.450 4.771 4.320 0.001 0.000 0.272 259 K C -2.355 174.209 176.600 -0.059 0.000 1.001 259 K CA -2.148 54.135 56.287 -0.008 0.000 0.915 259 K CB 1.240 33.743 32.500 0.006 0.000 1.047 259 K HN 0.010 nan 8.250 nan 0.000 0.458 260 P HA 0.000 nan 4.420 nan 0.000 0.266 260 P C -0.140 177.128 177.300 -0.052 0.000 1.193 260 P CA 0.318 63.371 63.100 -0.079 0.000 0.770 260 P CB 0.713 32.383 31.700 -0.050 0.000 0.836 261 S N 0.546 116.221 115.700 -0.042 0.000 3.144 261 S HA 0.696 5.167 4.470 0.001 0.000 0.325 261 S C -1.647 172.936 174.600 -0.028 0.000 1.161 261 S CA -0.367 57.810 58.200 -0.039 0.000 0.920 261 S CB 0.612 63.775 63.200 -0.061 0.000 1.340 261 S HN 0.565 nan 8.310 nan 0.000 0.681 262 D N -0.706 119.609 120.400 -0.142 0.000 2.838 262 D HA 0.287 4.928 4.640 0.001 0.000 0.334 262 D C 0.227 176.048 176.300 -0.798 0.000 1.315 262 D CA -0.634 53.185 54.000 -0.301 0.000 0.917 262 D CB -0.595 40.144 40.800 -0.103 0.000 1.435 262 D HN 0.337 nan 8.370 nan 0.000 0.517 263 F N 0.717 120.019 119.950 -1.080 0.000 2.216 263 F HA -0.074 4.454 4.527 0.001 0.000 0.300 263 F C 1.833 177.333 175.800 -0.500 0.000 1.085 263 F CA 1.641 58.961 58.000 -1.134 0.000 1.326 263 F CB 0.050 38.549 39.000 -0.835 0.000 1.027 263 F HN 0.220 nan 8.300 nan 0.000 0.497 264 E N 0.182 120.178 120.200 -0.339 0.000 2.072 264 E HA -0.076 4.275 4.350 0.001 0.000 0.190 264 E C 2.588 179.031 176.600 -0.262 0.000 0.982 264 E CA 1.055 57.277 56.400 -0.296 0.000 0.803 264 E CB -1.235 28.401 29.700 -0.105 0.000 0.755 264 E HN 0.499 nan 8.360 nan 0.000 0.453 265 G N 0.613 109.290 108.800 -0.206 0.000 2.440 265 G HA2 -0.310 3.650 3.960 0.001 0.000 0.218 265 G HA3 -0.310 3.650 3.960 0.001 0.000 0.218 265 G C 1.553 176.419 174.900 -0.057 0.000 1.154 265 G CA 0.815 45.849 45.100 -0.110 0.000 0.767 265 G HN 0.233 nan 8.290 nan 0.000 0.552 266 Y N 1.675 121.766 120.300 -0.349 0.000 2.128 266 Y HA -0.086 4.465 4.550 0.002 0.000 0.284 266 Y C 2.772 178.540 175.900 -0.221 0.000 1.154 266 Y CA 1.638 59.585 58.100 -0.254 0.000 1.149 266 Y CB -0.331 37.928 38.460 -0.336 0.000 0.976 266 Y HN 0.109 nan 8.280 nan 0.000 0.505 267 K N -0.479 119.636 120.400 -0.475 0.000 2.063 267 K HA -0.190 4.131 4.320 0.001 0.000 0.208 267 K C 2.255 178.727 176.600 -0.214 0.000 1.048 267 K CA 1.321 57.320 56.287 -0.480 0.000 0.928 267 K CB -0.386 31.761 32.500 -0.589 0.000 0.713 267 K HN 0.378 nan 8.250 nan 0.000 0.442 268 A N 0.801 123.544 122.820 -0.128 0.000 1.898 268 A HA -0.122 4.199 4.320 0.001 0.000 0.214 268 A C 1.947 179.531 177.584 -0.000 0.000 1.183 268 A CA 0.769 52.775 52.037 -0.051 0.000 0.622 268 A CB -0.607 18.370 19.000 -0.038 0.000 0.824 268 A HN 0.352 nan 8.150 nan 0.000 0.444 269 F N 0.847 120.744 119.950 -0.088 0.000 2.126 269 F HA -0.168 4.359 4.527 0.001 0.000 0.299 269 F C 1.756 177.537 175.800 -0.031 0.000 1.096 269 F CA 1.763 59.733 58.000 -0.049 0.000 1.255 269 F CB -0.232 38.765 39.000 -0.005 0.000 0.997 269 F HN 0.135 nan 8.300 nan 0.000 0.479 270 L N 0.161 121.365 121.223 -0.031 0.000 2.191 270 L HA -0.163 4.178 4.340 0.001 0.000 0.212 270 L C 2.265 179.158 176.870 0.038 0.000 1.103 270 L CA 0.848 55.672 54.840 -0.026 0.000 0.769 270 L CB -0.725 41.295 42.059 -0.064 0.000 0.908 270 L HN 0.090 nan 8.230 nan 0.000 0.438 271 E N 0.046 120.245 120.200 -0.001 0.000 2.333 271 E HA -0.176 4.174 4.350 0.001 0.000 0.198 271 E C 1.513 177.962 176.600 -0.251 0.000 1.007 271 E CA 0.564 56.943 56.400 -0.035 0.000 0.845 271 E CB -0.317 29.377 29.700 -0.011 0.000 0.766 271 E HN 0.493 nan 8.360 nan 0.000 0.507 272 N N -0.174 118.285 118.700 -0.401 0.000 2.550 272 N HA -0.104 4.637 4.740 0.001 0.000 0.186 272 N C -0.127 174.839 175.510 -0.906 0.000 1.110 272 N CA 0.506 53.151 53.050 -0.675 0.000 0.912 272 N CB 0.187 38.129 38.487 -0.908 0.000 0.968 272 N HN 0.223 nan 8.380 nan 0.000 0.448 273 Y N 0.471 120.555 120.300 -0.361 0.000 2.634 273 Y HA 0.325 4.876 4.550 0.001 0.000 0.292 273 Y C 0.065 175.693 175.900 -0.454 0.000 0.996 273 Y CA -0.643 57.269 58.100 -0.314 0.000 1.165 273 Y CB 0.120 38.452 38.460 -0.213 0.000 1.194 273 Y HN -0.318 nan 8.280 nan 0.000 0.585 274 R N 1.161 121.324 120.500 -0.560 0.000 2.537 274 R HA 0.039 4.380 4.340 0.001 0.000 0.280 274 R C -1.671 174.290 176.300 -0.564 0.000 1.058 274 R CA -1.175 54.380 56.100 -0.908 0.000 1.057 274 R CB 0.320 30.137 30.300 -0.804 0.000 0.973 274 R HN 0.120 nan 8.270 nan 0.000 0.438 275 P HA -0.222 nan 4.420 nan 0.000 0.218 275 P C 0.454 177.628 177.300 -0.210 0.000 1.154 275 P CA 1.477 64.339 63.100 -0.396 0.000 0.872 275 P CB 0.301 31.673 31.700 -0.546 0.000 0.790 276 E N -0.574 119.516 120.200 -0.183 0.000 2.106 276 E HA -0.156 4.195 4.350 0.001 0.000 0.192 276 E C 1.973 178.521 176.600 -0.087 0.000 0.984 276 E CA 1.074 57.422 56.400 -0.087 0.000 0.806 276 E CB -0.677 28.982 29.700 -0.068 0.000 0.750 276 E HN 0.273 nan 8.360 nan 0.000 0.458 277 K N 0.564 120.881 120.400 -0.137 0.000 2.062 277 K HA -0.060 4.261 4.320 0.001 0.000 0.205 277 K C 1.923 178.481 176.600 -0.069 0.000 1.051 277 K CA 1.008 57.227 56.287 -0.114 0.000 0.941 277 K CB 0.001 32.398 32.500 -0.170 0.000 0.719 277 K HN 0.033 nan 8.250 nan 0.000 0.440 278 V N 1.422 121.292 119.914 -0.075 0.000 2.548 278 V HA -0.165 3.956 4.120 0.001 0.000 0.249 278 V C 2.398 178.525 176.094 0.056 0.000 1.055 278 V CA 1.654 63.956 62.300 0.003 0.000 1.065 278 V CB -0.323 31.506 31.823 0.009 0.000 0.681 278 V HN 0.441 nan 8.190 nan 0.000 0.462 279 A N 1.143 123.983 122.820 0.032 0.000 1.902 279 A HA -0.268 4.053 4.320 0.001 0.000 0.217 279 A C 2.151 179.780 177.584 0.075 0.000 1.181 279 A CA 2.113 54.198 52.037 0.081 0.000 0.623 279 A CB -0.468 18.568 19.000 0.061 0.000 0.818 279 A HN 0.752 nan 8.150 nan 0.000 0.443 280 E N 0.448 120.672 120.200 0.041 0.000 2.077 280 E HA -0.171 4.180 4.350 0.001 0.000 0.193 280 E C 1.615 178.248 176.600 0.055 0.000 0.989 280 E CA 1.766 58.189 56.400 0.039 0.000 0.800 280 E CB -0.653 29.056 29.700 0.016 0.000 0.746 280 E HN 0.603 nan 8.360 nan 0.000 0.452 281 I N 0.548 121.151 120.570 0.056 0.000 2.142 281 I HA -0.283 3.888 4.170 0.001 0.000 0.240 281 I C 2.250 178.423 176.117 0.093 0.000 1.078 281 I CA 1.167 62.507 61.300 0.068 0.000 1.343 281 I CB -0.382 37.656 38.000 0.064 0.000 1.046 281 I HN 0.301 nan 8.210 nan 0.000 0.405 282 C N 0.605 119.982 119.300 0.128 0.000 2.432 282 C HA -0.014 4.447 4.460 0.001 0.000 0.282 282 C C 0.981 176.059 174.990 0.147 0.000 1.388 282 C CA -0.141 58.978 59.018 0.170 0.000 1.777 282 C CB -1.198 26.725 27.740 0.305 0.000 1.882 282 C HN 0.476 nan 8.230 nan 0.000 0.520 283 R N -0.925 119.644 120.500 0.116 0.000 3.261 283 R HA -0.137 4.204 4.340 0.001 0.000 0.257 283 R C -0.637 175.712 176.300 0.081 0.000 1.014 283 R CA 0.974 57.128 56.100 0.090 0.000 0.681 283 R CB -2.535 27.817 30.300 0.086 0.000 1.155 283 R HN 0.698 nan 8.270 nan 0.000 0.424 284 V N -3.442 116.531 119.914 0.097 0.000 2.925 284 V HA 0.791 4.912 4.120 0.001 0.000 0.311 284 V C -2.303 173.848 176.094 0.096 0.000 1.104 284 V CA -2.659 59.691 62.300 0.085 0.000 0.954 284 V CB 2.777 34.664 31.823 0.108 0.000 1.022 284 V HN -0.059 nan 8.190 nan 0.000 0.427 285 P HA 0.125 nan 4.420 nan 0.000 0.265 285 P C 1.221 178.596 177.300 0.125 0.000 1.187 285 P CA 0.359 63.513 63.100 0.090 0.000 0.766 285 P CB 0.752 32.501 31.700 0.081 0.000 0.820 286 V N 1.584 121.573 119.914 0.125 0.000 2.490 286 V HA -0.231 3.889 4.120 0.001 0.000 0.250 286 V C 1.755 177.997 176.094 0.246 0.000 1.061 286 V CA 1.723 64.117 62.300 0.158 0.000 1.064 286 V CB -1.389 30.543 31.823 0.182 0.000 0.670 286 V HN 0.530 nan 8.190 nan 0.000 0.461 287 E N 1.031 121.371 120.200 0.233 0.000 2.333 287 E HA -0.255 4.096 4.350 0.001 0.000 0.198 287 E C 1.991 178.733 176.600 0.237 0.000 1.007 287 E CA 1.268 57.826 56.400 0.264 0.000 0.845 287 E CB -0.564 29.228 29.700 0.153 0.000 0.766 287 E HN 0.759 nan 8.360 nan 0.000 0.507 288 Q N 0.353 120.275 119.800 0.205 0.000 2.167 288 Q HA -0.009 4.332 4.340 0.001 0.000 0.202 288 Q C 2.377 178.529 176.000 0.253 0.000 0.970 288 Q CA 0.938 56.879 55.803 0.230 0.000 0.855 288 Q CB -0.125 28.748 28.738 0.226 0.000 0.911 288 Q HN 0.372 nan 8.270 nan 0.000 0.438 289 I N -0.550 120.091 120.570 0.118 0.000 2.163 289 I HA -0.273 3.898 4.170 0.001 0.000 0.240 289 I C 1.767 177.799 176.117 -0.141 0.000 1.081 289 I CA 1.234 62.416 61.300 -0.198 0.000 1.353 289 I CB -0.409 37.340 38.000 -0.419 0.000 1.054 289 I HN 0.136 nan 8.210 nan 0.000 0.407 290 Y N 1.338 121.654 120.300 0.028 0.000 2.097 290 Y HA -0.190 4.361 4.550 0.002 0.000 0.282 290 Y C 2.725 178.664 175.900 0.064 0.000 1.152 290 Y CA 1.589 59.719 58.100 0.050 0.000 1.136 290 Y CB -1.417 37.082 38.460 0.065 0.000 0.975 290 Y HN 0.130 nan 8.280 nan 0.000 0.498 291 G N -0.031 108.918 108.800 0.249 0.000 2.631 291 G HA2 -0.368 3.592 3.960 0.001 0.000 0.219 291 G HA3 -0.368 3.592 3.960 0.001 0.000 0.219 291 G C 1.963 176.971 174.900 0.180 0.000 1.214 291 G CA 1.786 47.002 45.100 0.193 0.000 0.785 291 G HN 0.518 nan 8.290 nan 0.000 0.596 292 A N 0.941 123.879 122.820 0.197 0.000 1.892 292 A HA 0.145 4.466 4.320 0.001 0.000 0.218 292 A C 2.844 180.490 177.584 0.104 0.000 1.188 292 A CA 2.874 55.038 52.037 0.210 0.000 0.631 292 A CB -0.884 18.325 19.000 0.348 0.000 0.822 292 A HN 1.027 nan 8.150 nan 0.000 0.447 293 A N -0.552 122.279 122.820 0.018 0.000 1.897 293 A HA -0.083 4.238 4.320 0.001 0.000 0.215 293 A C 2.247 179.880 177.584 0.081 0.000 1.181 293 A CA 1.315 53.333 52.037 -0.032 0.000 0.620 293 A CB -0.424 18.523 19.000 -0.089 0.000 0.821 293 A HN 0.549 nan 8.150 nan 0.000 0.443 294 R N -0.302 120.266 120.500 0.113 0.000 2.073 294 R HA -0.089 4.252 4.340 0.001 0.000 0.234 294 R C 2.537 178.914 176.300 0.127 0.000 1.134 294 R CA 1.256 57.430 56.100 0.124 0.000 0.952 294 R CB -0.593 29.786 30.300 0.131 0.000 0.850 294 R HN 0.489 nan 8.270 nan 0.000 0.433 295 A N 1.256 124.159 122.820 0.138 0.000 1.873 295 A HA -0.245 4.076 4.320 0.001 0.000 0.218 295 A C 2.058 179.714 177.584 0.119 0.000 1.193 295 A CA 1.566 53.679 52.037 0.127 0.000 0.629 295 A CB -0.885 18.208 19.000 0.156 0.000 0.826 295 A HN 0.401 nan 8.150 nan 0.000 0.447 296 F N 0.435 120.379 119.950 -0.009 0.000 2.126 296 F HA -0.142 4.385 4.527 0.001 0.000 0.299 296 F C 2.445 178.208 175.800 -0.061 0.000 1.096 296 F CA 1.808 59.767 58.000 -0.069 0.000 1.255 296 F CB -0.063 38.818 39.000 -0.198 0.000 0.997 296 F HN 0.261 nan 8.300 nan 0.000 0.479 297 A N -0.627 122.359 122.820 0.276 0.000 1.997 297 A HA 0.008 4.329 4.320 0.001 0.000 0.212 297 A C 1.965 179.607 177.584 0.097 0.000 1.178 297 A CA 0.898 53.056 52.037 0.202 0.000 0.698 297 A CB -0.519 18.589 19.000 0.180 0.000 0.842 297 A HN 0.463 nan 8.150 nan 0.000 0.458 298 E N 0.674 120.921 120.200 0.080 0.000 2.208 298 E HA 0.017 4.367 4.350 0.001 0.000 0.193 298 E C 0.184 176.800 176.600 0.026 0.000 0.988 298 E CA 0.192 56.625 56.400 0.055 0.000 0.828 298 E CB 0.003 29.739 29.700 0.060 0.000 0.763 298 E HN 0.399 nan 8.360 nan 0.000 0.478 299 S N 0.633 116.334 115.700 0.002 0.000 2.549 299 S HA 0.078 4.549 4.470 0.001 0.000 0.286 299 S C 1.108 175.682 174.600 -0.044 0.000 1.314 299 S CA -0.004 58.177 58.200 -0.032 0.000 1.062 299 S CB 1.323 64.478 63.200 -0.075 0.000 0.865 299 S HN 0.324 nan 8.310 nan 0.000 0.498 300 A N 2.645 125.444 122.820 -0.035 0.000 1.940 300 A HA 0.287 4.608 4.320 0.001 0.000 0.219 300 A C 1.000 178.551 177.584 -0.055 0.000 1.176 300 A CA 1.346 53.365 52.037 -0.030 0.000 0.631 300 A CB -0.260 18.730 19.000 -0.018 0.000 0.814 300 A HN 1.067 nan 8.150 nan 0.000 0.446 301 A N -1.368 121.395 122.820 -0.095 0.000 2.402 301 A HA 0.597 4.918 4.320 0.001 0.000 0.291 301 A C -0.468 176.989 177.584 -0.212 0.000 1.051 301 A CA -0.249 51.712 52.037 -0.127 0.000 0.716 301 A CB 1.006 19.941 19.000 -0.110 0.000 1.223 301 A HN 0.064 nan 8.150 nan 0.000 0.425 302 T N 3.037 117.445 114.554 -0.244 0.000 2.797 302 T HA 0.609 4.959 4.350 0.001 0.000 0.279 302 T C -0.397 174.191 174.700 -0.187 0.000 0.991 302 T CA -0.129 61.746 62.100 -0.375 0.000 0.979 302 T CB 0.999 69.398 68.868 -0.782 0.000 0.943 302 T HN 0.683 nan 8.240 nan 0.000 0.444 303 M N 2.815 122.311 119.600 -0.172 0.000 2.190 303 M HA 0.491 4.972 4.480 0.001 0.000 0.312 303 M C -0.847 175.659 176.300 0.342 0.000 0.990 303 M CA -0.431 54.918 55.300 0.080 0.000 0.927 303 M CB 1.158 33.709 32.600 -0.081 0.000 1.571 303 M HN 0.479 nan 8.290 nan 0.000 0.427 304 S N 4.635 120.695 115.700 0.599 0.000 2.578 304 S HA 0.787 5.258 4.470 0.001 0.000 0.283 304 S C -0.982 174.014 174.600 0.660 0.000 1.195 304 S CA -0.618 58.048 58.200 0.776 0.000 1.050 304 S CB 1.267 65.129 63.200 1.104 0.000 1.012 304 S HN 0.628 nan 8.310 nan 0.000 0.511 305 L N 2.608 124.169 121.223 0.563 0.000 2.431 305 L HA 0.760 5.101 4.340 0.001 0.000 0.266 305 L C -1.062 176.055 176.870 0.411 0.000 0.978 305 L CA -0.261 54.800 54.840 0.369 0.000 0.822 305 L CB 1.576 43.773 42.059 0.230 0.000 1.310 305 L HN 0.931 nan 8.230 nan 0.000 0.409 306 W N 1.960 123.335 121.300 0.125 0.000 3.074 306 W HA 0.799 5.460 4.660 0.001 0.000 0.332 306 W C -1.122 175.445 176.519 0.082 0.000 1.253 306 W CA -0.718 56.669 57.345 0.069 0.000 1.180 306 W CB 0.899 30.386 29.460 0.045 0.000 1.445 306 W HN 0.668 nan 8.180 nan 0.000 0.573 307 C N 0.911 120.364 119.300 0.254 0.000 4.194 307 C HA 0.345 4.806 4.460 0.001 0.000 0.292 307 C C 1.653 176.775 174.990 0.219 0.000 5.056 307 C CA -0.187 58.928 59.018 0.162 0.000 1.614 307 C CB 0.289 28.117 27.740 0.147 0.000 5.888 307 C HN 0.834 nan 8.230 nan 0.000 0.500 308 M N 1.411 121.103 119.600 0.154 0.000 2.374 308 M HA 0.088 4.569 4.480 0.001 0.000 0.264 308 M C 1.846 178.209 176.300 0.106 0.000 1.067 308 M CA 1.686 57.057 55.300 0.118 0.000 1.103 308 M CB -2.007 30.630 32.600 0.062 0.000 1.402 308 M HN 0.873 nan 8.290 nan 0.000 0.444 309 G N 0.249 109.116 108.800 0.112 0.000 2.470 309 G HA2 -0.124 3.837 3.960 0.001 0.000 0.220 309 G HA3 -0.124 3.837 3.960 0.001 0.000 0.220 309 G C 1.518 176.452 174.900 0.056 0.000 1.121 309 G CA 0.373 45.521 45.100 0.079 0.000 0.766 309 G HN 0.312 nan 8.290 nan 0.000 0.553 310 I N 0.817 121.450 120.570 0.105 0.000 2.628 310 I HA 0.058 4.228 4.170 0.001 0.000 0.255 310 I C 1.816 177.972 176.117 0.064 0.000 1.119 310 I CA 0.586 61.920 61.300 0.056 0.000 1.448 310 I CB -0.652 37.385 38.000 0.060 0.000 1.133 310 I HN 0.048 nan 8.210 nan 0.000 0.438 311 N N 0.883 119.667 118.700 0.140 0.000 2.336 311 N HA -0.057 4.684 4.740 0.001 0.000 0.177 311 N C 0.852 176.401 175.510 0.065 0.000 1.018 311 N CA 0.476 53.596 53.050 0.116 0.000 0.878 311 N CB -0.254 38.336 38.487 0.171 0.000 0.997 311 N HN 0.390 nan 8.380 nan 0.000 0.433 312 Q N 1.364 121.205 119.800 0.068 0.000 3.004 312 Q HA 0.202 4.543 4.340 0.001 0.000 0.256 312 Q C -0.590 175.417 176.000 0.011 0.000 1.387 312 Q CA 0.271 56.113 55.803 0.065 0.000 0.962 312 Q CB 0.149 28.953 28.738 0.111 0.000 1.676 312 Q HN -0.006 nan 8.270 nan 0.000 0.568 313 R N 0.096 120.581 120.500 -0.025 0.000 2.563 313 R HA 0.055 4.396 4.340 0.001 0.000 0.262 313 R C 0.573 176.820 176.300 -0.088 0.000 1.128 313 R CA -0.218 55.851 56.100 -0.051 0.000 0.969 313 R CB 0.928 31.198 30.300 -0.050 0.000 1.251 313 R HN 0.292 nan 8.270 nan 0.000 0.442 314 V N -0.314 119.542 119.914 -0.097 0.000 2.688 314 V HA -0.167 3.954 4.120 0.001 0.000 0.256 314 V C 0.944 176.920 176.094 -0.196 0.000 1.084 314 V CA 1.450 63.669 62.300 -0.134 0.000 1.103 314 V CB -0.359 31.398 31.823 -0.110 0.000 0.688 314 V HN 0.613 nan 8.190 nan 0.000 0.480 315 Q N 0.422 120.124 119.800 -0.163 0.000 2.225 315 Q HA 0.335 4.675 4.340 0.001 0.000 0.259 315 Q C 1.798 177.709 176.000 -0.149 0.000 0.872 315 Q CA 0.383 56.063 55.803 -0.206 0.000 1.042 315 Q CB 0.909 29.603 28.738 -0.074 0.000 1.142 315 Q HN 0.718 nan 8.270 nan 0.000 0.463 316 G N 0.331 109.046 108.800 -0.141 0.000 2.433 316 G HA2 -0.207 3.754 3.960 0.001 0.000 0.216 316 G HA3 -0.207 3.754 3.960 0.001 0.000 0.216 316 G C 1.372 176.235 174.900 -0.062 0.000 1.186 316 G CA 0.512 45.566 45.100 -0.076 0.000 0.779 316 G HN 0.251 nan 8.290 nan 0.000 0.543 317 V N 0.826 120.684 119.914 -0.094 0.000 2.252 317 V HA -0.191 3.929 4.120 0.001 0.000 0.249 317 V C 2.632 178.775 176.094 0.083 0.000 1.056 317 V CA 1.783 64.066 62.300 -0.028 0.000 1.022 317 V CB -0.646 31.131 31.823 -0.076 0.000 0.641 317 V HN 0.263 nan 8.190 nan 0.000 0.445 318 F N 0.784 120.645 119.950 -0.147 0.000 2.095 318 F HA -0.194 4.334 4.527 0.002 0.000 0.298 318 F C 2.526 178.223 175.800 -0.172 0.000 1.104 318 F CA 1.243 59.153 58.000 -0.149 0.000 1.232 318 F CB -1.682 37.257 39.000 -0.101 0.000 0.987 318 F HN 0.166 nan 8.300 nan 0.000 0.475 319 A N 0.165 122.993 122.820 0.013 0.000 1.940 319 A HA -0.214 4.107 4.320 0.001 0.000 0.219 319 A C 2.191 179.593 177.584 -0.304 0.000 1.176 319 A CA 1.792 53.740 52.037 -0.147 0.000 0.631 319 A CB -0.932 17.977 19.000 -0.152 0.000 0.814 319 A HN 0.455 nan 8.150 nan 0.000 0.446 320 N N -0.010 118.520 118.700 -0.283 0.000 2.106 320 N HA -0.159 4.582 4.740 0.001 0.000 0.188 320 N C 1.549 176.779 175.510 -0.467 0.000 1.029 320 N CA 1.585 54.345 53.050 -0.483 0.000 0.848 320 N CB -0.415 37.977 38.487 -0.159 0.000 1.007 320 N HN 0.667 nan 8.380 nan 0.000 0.423 321 N N 0.814 119.442 118.700 -0.120 0.000 2.094 321 N HA -0.158 4.583 4.740 0.001 0.000 0.191 321 N C 1.534 177.001 175.510 -0.071 0.000 1.023 321 N CA 0.821 53.879 53.050 0.013 0.000 0.857 321 N CB -0.081 38.400 38.487 -0.010 0.000 1.013 321 N HN 0.056 nan 8.380 nan 0.000 0.426 322 L N 0.887 122.011 121.223 -0.164 0.000 2.093 322 L HA -0.039 4.302 4.340 0.001 0.000 0.208 322 L C 1.940 178.706 176.870 -0.174 0.000 1.085 322 L CA 1.177 55.911 54.840 -0.178 0.000 0.755 322 L CB -0.443 41.442 42.059 -0.290 0.000 0.904 322 L HN 0.241 nan 8.230 nan 0.000 0.435 323 I N -1.367 119.022 120.570 -0.302 0.000 2.179 323 I HA -0.314 3.857 4.170 0.001 0.000 0.242 323 I C 2.511 178.617 176.117 -0.018 0.000 1.088 323 I CA 0.964 62.118 61.300 -0.243 0.000 1.357 323 I CB -0.538 37.062 38.000 -0.666 0.000 1.051 323 I HN 0.351 nan 8.210 nan 0.000 0.409 324 H N 0.871 119.985 119.070 0.072 0.000 2.422 324 H HA -0.124 4.433 4.556 0.001 0.000 0.298 324 H C 1.965 177.392 175.328 0.164 0.000 1.098 324 H CA 1.261 57.446 56.048 0.229 0.000 1.315 324 H CB -0.728 29.155 29.762 0.202 0.000 1.382 324 H HN 0.399 nan 8.280 nan 0.000 0.523 325 N N 0.989 119.766 118.700 0.128 0.000 2.069 325 N HA -0.103 4.638 4.740 0.001 0.000 0.191 325 N C 2.309 177.862 175.510 0.071 0.000 1.031 325 N CA 0.580 53.658 53.050 0.048 0.000 0.852 325 N CB -0.588 37.924 38.487 0.042 0.000 1.018 325 N HN 0.303 nan 8.380 nan 0.000 0.423 326 L N 0.386 121.594 121.223 -0.025 0.000 2.043 326 L HA -0.220 4.121 4.340 0.001 0.000 0.212 326 L C 2.248 179.124 176.870 0.010 0.000 1.075 326 L CA 1.298 55.984 54.840 -0.257 0.000 0.752 326 L CB -0.599 40.925 42.059 -0.890 0.000 0.891 326 L HN 0.375 nan 8.230 nan 0.000 0.432 327 H N -0.295 118.952 119.070 0.295 0.000 2.395 327 H HA -0.037 4.520 4.556 0.002 0.000 0.299 327 H C 2.421 177.881 175.328 0.220 0.000 1.070 327 H CA 1.249 57.509 56.048 0.354 0.000 1.356 327 H CB 0.044 30.038 29.762 0.387 0.000 1.401 327 H HN 0.332 nan 8.280 nan 0.000 0.524 328 L N 0.128 121.546 121.223 0.326 0.000 2.093 328 L HA -0.149 4.192 4.340 0.001 0.000 0.208 328 L C 2.419 179.509 176.870 0.367 0.000 1.085 328 L CA 0.663 55.689 54.840 0.309 0.000 0.755 328 L CB -0.241 41.883 42.059 0.109 0.000 0.904 328 L HN 0.125 nan 8.230 nan 0.000 0.435 329 I N -0.298 120.430 120.570 0.264 0.000 2.830 329 I HA -0.176 3.994 4.170 0.001 0.000 0.263 329 I C 2.108 178.472 176.117 0.411 0.000 1.230 329 I CA 1.397 62.892 61.300 0.325 0.000 1.480 329 I CB -0.086 38.076 38.000 0.270 0.000 1.095 329 I HN 0.314 nan 8.210 nan 0.000 0.455 330 T N -3.716 111.020 114.554 0.302 0.000 3.010 330 T HA 0.320 4.671 4.350 0.001 0.000 0.257 330 T C 1.512 176.278 174.700 0.110 0.000 1.020 330 T CA 0.212 62.455 62.100 0.238 0.000 0.938 330 T CB 0.030 69.037 68.868 0.231 0.000 1.049 330 T HN 0.354 nan 8.240 nan 0.000 0.522 331 G N 2.534 111.293 108.800 -0.068 0.000 2.283 331 G HA2 -0.246 3.715 3.960 0.001 0.000 0.280 331 G HA3 -0.246 3.715 3.960 0.001 0.000 0.280 331 G C 0.101 174.789 174.900 -0.353 0.000 1.029 331 G CA -0.027 44.650 45.100 -0.705 0.000 0.840 331 G HN 0.570 nan 8.290 nan 0.000 0.505 332 Q N -0.549 119.204 119.800 -0.078 0.000 3.026 332 Q HA 0.578 4.919 4.340 0.001 0.000 0.258 332 Q C 0.462 176.525 176.000 0.105 0.000 1.388 332 Q CA 0.371 56.185 55.803 0.019 0.000 1.000 332 Q CB 0.265 29.021 28.738 0.031 0.000 1.634 332 Q HN 0.788 nan 8.270 nan 0.000 0.571 333 I N -1.945 118.569 120.570 -0.093 0.000 2.793 333 I HA 0.084 4.255 4.170 0.001 0.000 0.295 333 I C -0.642 175.337 176.117 -0.230 0.000 1.610 333 I CA -0.438 60.814 61.300 -0.082 0.000 0.986 333 I CB 1.693 39.708 38.000 0.025 0.000 1.402 333 I HN 0.467 nan 8.210 nan 0.000 0.500 334 C N 2.908 122.105 119.300 -0.172 0.000 4.456 334 C HA -0.141 4.320 4.460 0.001 0.000 0.288 334 C C 0.417 175.356 174.990 -0.085 0.000 1.374 334 C CA 0.622 59.503 59.018 -0.228 0.000 1.956 334 C CB -2.724 24.594 27.740 -0.703 0.000 1.255 334 C HN 0.714 nan 8.230 nan 0.000 0.788 335 R N -0.260 120.209 120.500 -0.051 0.000 2.673 335 R HA 0.464 4.804 4.340 0.001 0.000 0.281 335 R C -2.793 173.499 176.300 -0.013 0.000 0.991 335 R CA -1.654 54.447 56.100 0.003 0.000 0.896 335 R CB 1.584 31.883 30.300 -0.002 0.000 1.201 335 R HN -0.117 nan 8.270 nan 0.000 0.457 336 P HA -0.008 nan 4.420 nan 0.000 0.260 336 P C 0.439 177.721 177.300 -0.032 0.000 1.185 336 P CA 1.270 64.360 63.100 -0.016 0.000 0.763 336 P CB 0.645 32.341 31.700 -0.007 0.000 0.776 337 G N 2.732 111.505 108.800 -0.045 0.000 2.253 337 G HA2 -0.216 3.745 3.960 0.001 0.000 0.251 337 G HA3 -0.216 3.745 3.960 0.001 0.000 0.251 337 G C 0.304 175.145 174.900 -0.098 0.000 0.998 337 G CA 0.056 45.107 45.100 -0.081 0.000 0.621 337 G HN 0.871 nan 8.290 nan 0.000 0.524 338 A N -0.030 122.756 122.820 -0.056 0.000 2.267 338 A HA 0.868 5.189 4.320 0.001 0.000 0.315 338 A C -0.017 177.576 177.584 0.015 0.000 1.297 338 A CA 0.840 52.860 52.037 -0.028 0.000 0.865 338 A CB 1.444 20.422 19.000 -0.037 0.000 1.165 338 A HN 1.368 nan 8.150 nan 0.000 0.513 339 T N 0.436 115.022 114.554 0.052 0.000 2.770 339 T HA 0.441 4.792 4.350 0.001 0.000 0.323 339 T C -1.280 173.364 174.700 -0.094 0.000 1.683 339 T CA -0.135 61.968 62.100 0.005 0.000 1.024 339 T CB 1.492 70.392 68.868 0.054 0.000 1.557 339 T HN 0.869 nan 8.240 nan 0.000 0.494 340 S N 2.404 118.016 115.700 -0.146 0.000 2.528 340 S HA 0.637 5.108 4.470 0.001 0.000 0.303 340 S C -1.305 173.537 174.600 0.404 0.000 1.123 340 S CA -0.532 57.652 58.200 -0.027 0.000 1.138 340 S CB -0.481 62.738 63.200 0.031 0.000 0.984 340 S HN 0.485 nan 8.310 nan 0.000 0.474 341 F N 4.932 125.009 119.950 0.212 0.000 2.359 341 F HA 0.423 4.950 4.527 0.001 0.000 0.369 341 F C 0.353 175.836 175.800 -0.529 0.000 1.084 341 F CA -0.493 57.483 58.000 -0.040 0.000 1.096 341 F CB 1.104 40.104 39.000 0.000 0.000 1.335 341 F HN 0.497 nan 8.300 nan 0.000 0.457 342 S N 6.403 121.528 115.700 -0.959 0.000 2.516 342 S HA 0.334 4.805 4.470 0.001 0.000 0.282 342 S C -0.221 174.041 174.600 -0.564 0.000 1.286 342 S CA -0.522 56.865 58.200 -1.354 0.000 1.066 342 S CB 0.116 62.901 63.200 -0.693 0.000 0.884 342 S HN 0.626 nan 8.310 nan 0.000 0.491 343 L N 5.042 125.992 121.223 -0.455 0.000 2.305 343 L HA 0.317 4.658 4.340 0.001 0.000 0.281 343 L C 0.671 177.513 176.870 -0.047 0.000 1.085 343 L CA -0.439 54.315 54.840 -0.144 0.000 0.813 343 L CB 1.188 43.077 42.059 -0.283 0.000 1.157 343 L HN 0.614 nan 8.230 nan 0.000 0.436 344 T N 1.915 116.529 114.554 0.100 0.000 2.875 344 T HA 0.245 4.596 4.350 0.001 0.000 0.284 344 T C 1.043 175.936 174.700 0.322 0.000 0.995 344 T CA -0.145 62.062 62.100 0.178 0.000 1.060 344 T CB 1.819 70.790 68.868 0.171 0.000 0.967 344 T HN 0.820 nan 8.240 nan 0.000 0.476 345 G N 1.604 110.572 108.800 0.279 0.000 2.404 345 G HA2 -0.003 3.958 3.960 0.001 0.000 0.213 345 G HA3 -0.003 3.958 3.960 0.001 0.000 0.213 345 G C 0.515 175.606 174.900 0.317 0.000 1.189 345 G CA 0.363 45.637 45.100 0.291 0.000 0.796 345 G HN 0.595 nan 8.290 nan 0.000 0.532 346 Q N 0.153 120.128 119.800 0.292 0.000 2.256 346 Q HA 0.210 4.551 4.340 0.001 0.000 0.232 346 Q C -1.467 174.635 176.000 0.170 0.000 0.965 346 Q CA -1.903 54.103 55.803 0.338 0.000 0.908 346 Q CB 1.939 30.834 28.738 0.262 0.000 1.209 346 Q HN 0.080 nan 8.270 nan 0.000 0.489 347 P HA -0.095 nan 4.420 nan 0.000 0.220 347 P C 0.304 177.406 177.300 -0.331 0.000 1.152 347 P CA 1.390 64.349 63.100 -0.236 0.000 0.812 347 P CB 0.422 31.754 31.700 -0.614 0.000 0.792 348 N N -1.279 117.227 118.700 -0.324 0.000 2.299 348 N HA 0.269 5.010 4.740 0.001 0.000 0.246 348 N C 1.216 176.754 175.510 0.046 0.000 1.254 348 N CA -0.062 52.905 53.050 -0.139 0.000 0.879 348 N CB -0.188 38.216 38.487 -0.139 0.000 1.214 348 N HN -0.162 nan 8.380 nan 0.000 0.510 349 A N -0.214 122.657 122.820 0.085 0.000 1.883 349 A HA -0.182 4.139 4.320 0.001 0.000 0.217 349 A C 2.334 180.017 177.584 0.165 0.000 1.186 349 A CA 1.642 53.755 52.037 0.127 0.000 0.624 349 A CB -0.977 18.107 19.000 0.140 0.000 0.822 349 A HN 0.488 nan 8.150 nan 0.000 0.444 350 C N -1.214 118.204 119.300 0.197 0.000 2.455 350 C HA 0.025 4.486 4.460 0.001 0.000 0.281 350 C C 3.061 178.251 174.990 0.333 0.000 1.237 350 C CA 0.724 59.909 59.018 0.278 0.000 1.726 350 C CB -1.717 26.201 27.740 0.297 0.000 2.068 350 C HN 0.692 nan 8.230 nan 0.000 0.466 351 G N -0.126 108.862 108.800 0.314 0.000 2.402 351 G HA2 0.080 4.041 3.960 0.001 0.000 0.216 351 G HA3 0.080 4.041 3.960 0.001 0.000 0.216 351 G C 1.734 176.731 174.900 0.162 0.000 1.162 351 G CA 1.242 46.478 45.100 0.227 0.000 0.777 351 G HN 0.616 nan 8.290 nan 0.000 0.539 352 G N -0.557 108.326 108.800 0.139 0.000 2.441 352 G HA2 0.133 4.094 3.960 0.001 0.000 0.212 352 G HA3 0.133 4.094 3.960 0.001 0.000 0.212 352 G C 1.491 176.429 174.900 0.063 0.000 1.164 352 G CA 1.182 46.340 45.100 0.098 0.000 0.811 352 G HN 0.309 nan 8.290 nan 0.000 0.535 353 V N -0.037 119.935 119.914 0.097 0.000 2.854 353 V HA 0.125 4.246 4.120 0.001 0.000 0.236 353 V C 2.634 178.776 176.094 0.079 0.000 1.157 353 V CA 0.774 63.122 62.300 0.081 0.000 1.187 353 V CB -0.147 31.736 31.823 0.101 0.000 0.949 353 V HN 0.159 nan 8.190 nan 0.000 0.488 354 R N 1.027 121.606 120.500 0.132 0.000 2.078 354 R HA -0.105 4.236 4.340 0.001 0.000 0.224 354 R C 2.048 178.427 176.300 0.132 0.000 1.149 354 R CA 1.927 58.119 56.100 0.154 0.000 0.916 354 R CB -0.723 29.713 30.300 0.226 0.000 0.821 354 R HN 0.429 nan 8.270 nan 0.000 0.434 355 D N 0.203 120.736 120.400 0.222 0.000 2.133 355 D HA -0.139 4.502 4.640 0.001 0.000 0.195 355 D C 1.865 178.214 176.300 0.082 0.000 0.997 355 D CA 1.749 55.841 54.000 0.154 0.000 0.840 355 D CB -0.693 40.327 40.800 0.366 0.000 0.947 355 D HN 0.509 nan 8.370 nan 0.000 0.452 356 G N -0.656 108.165 108.800 0.034 0.000 2.848 356 G HA2 0.211 4.172 3.960 0.001 0.000 0.208 356 G HA3 0.211 4.172 3.960 0.001 0.000 0.208 356 G C 1.150 175.878 174.900 -0.287 0.000 1.152 356 G CA 0.488 45.352 45.100 -0.393 0.000 0.789 356 G HN 0.530 nan 8.290 nan 0.000 0.531 357 G N -0.707 108.009 108.800 -0.140 0.000 2.246 357 G HA2 0.053 4.014 3.960 0.001 0.000 0.273 357 G HA3 0.053 4.014 3.960 0.001 0.000 0.273 357 G C 0.683 175.524 174.900 -0.098 0.000 1.055 357 G CA 0.267 45.291 45.100 -0.128 0.000 0.851 357 G HN 1.288 nan 8.290 nan 0.000 0.500 358 A N -0.511 122.274 122.820 -0.058 0.000 2.648 358 A HA 0.677 4.998 4.320 0.001 0.000 0.269 358 A C 0.607 178.229 177.584 0.063 0.000 1.392 358 A CA 0.215 52.248 52.037 -0.007 0.000 1.019 358 A CB 0.040 19.045 19.000 0.009 0.000 1.009 358 A HN 0.474 nan 8.150 nan 0.000 0.565 359 L N -0.792 120.450 121.223 0.032 0.000 2.304 359 L HA 0.394 4.735 4.340 0.001 0.000 0.268 359 L C 1.841 178.774 176.870 0.105 0.000 1.010 359 L CA 0.505 55.402 54.840 0.096 0.000 0.813 359 L CB 1.459 43.566 42.059 0.080 0.000 1.315 359 L HN 0.362 nan 8.230 nan 0.000 0.445 360 S N -0.497 115.342 115.700 0.230 0.000 2.447 360 S HA -0.135 4.336 4.470 0.001 0.000 0.233 360 S C 1.178 175.913 174.600 0.225 0.000 1.006 360 S CA 1.212 59.548 58.200 0.226 0.000 0.957 360 S CB -0.506 62.849 63.200 0.258 0.000 0.773 360 S HN 0.764 nan 8.310 nan 0.000 0.507 361 H N -0.012 119.122 119.070 0.108 0.000 2.586 361 H HA 0.523 5.080 4.556 0.001 0.000 0.273 361 H C 0.400 175.777 175.328 0.082 0.000 0.997 361 H CA -0.552 55.551 56.048 0.091 0.000 1.177 361 H CB -0.319 29.498 29.762 0.091 0.000 1.471 361 H HN 0.355 nan 8.280 nan 0.000 0.538 362 L N 0.771 121.845 121.223 -0.249 0.000 2.304 362 L HA 0.552 4.893 4.340 0.001 0.000 0.268 362 L C -0.491 176.311 176.870 -0.112 0.000 1.010 362 L CA -1.103 53.589 54.840 -0.246 0.000 0.813 362 L CB 2.367 44.221 42.059 -0.342 0.000 1.315 362 L HN 0.019 nan 8.230 nan 0.000 0.445 363 L N 0.434 121.582 121.223 -0.126 0.000 2.415 363 L HA 0.496 4.836 4.340 0.001 0.000 0.256 363 L C -2.493 174.262 176.870 -0.190 0.000 1.010 363 L CA -1.843 52.907 54.840 -0.149 0.000 0.826 363 L CB 3.032 44.996 42.059 -0.158 0.000 1.405 363 L HN 0.254 nan 8.230 nan 0.000 0.410 364 P HA 0.016 nan 4.420 nan 0.000 0.265 364 P C -0.409 176.837 177.300 -0.089 0.000 1.187 364 P CA 0.465 63.474 63.100 -0.152 0.000 0.766 364 P CB 0.535 32.175 31.700 -0.101 0.000 0.820 365 A N 3.498 126.287 122.820 -0.052 0.000 2.648 365 A HA 0.083 4.404 4.320 0.001 0.000 0.297 365 A C 1.245 178.530 177.584 -0.498 0.000 1.467 365 A CA 0.823 52.653 52.037 -0.346 0.000 0.731 365 A CB -2.367 16.584 19.000 -0.081 0.000 1.085 365 A HN 1.144 nan 8.150 nan 0.000 0.437 366 G N -1.653 106.819 108.800 -0.546 0.000 2.143 366 G HA2 -0.241 3.720 3.960 0.001 0.000 0.248 366 G HA3 -0.241 3.720 3.960 0.001 0.000 0.248 366 G C 0.124 174.935 174.900 -0.148 0.000 0.991 366 G CA 0.985 46.004 45.100 -0.136 0.000 0.689 366 G HN 1.282 nan 8.290 nan 0.000 0.522 367 R N -0.243 120.089 120.500 -0.280 0.000 2.674 367 R HA 0.822 5.163 4.340 0.001 0.000 0.266 367 R C 0.101 176.349 176.300 -0.088 0.000 1.016 367 R CA 0.028 55.853 56.100 -0.457 0.000 1.062 367 R CB 1.644 31.623 30.300 -0.535 0.000 1.142 367 R HN 0.626 nan 8.270 nan 0.000 0.517 368 A N 1.602 124.524 122.820 0.171 0.000 2.435 368 A HA 0.357 4.678 4.320 0.001 0.000 0.304 368 A C 0.781 178.446 177.584 0.136 0.000 1.064 368 A CA -0.722 51.407 52.037 0.154 0.000 0.727 368 A CB 0.888 20.013 19.000 0.208 0.000 1.284 368 A HN 0.610 nan 8.150 nan 0.000 0.415 369 I N 1.068 121.694 120.570 0.092 0.000 2.127 369 I HA -0.125 4.045 4.170 0.001 0.000 0.241 369 I C -0.661 175.506 176.117 0.083 0.000 1.075 369 I CA 1.848 63.198 61.300 0.084 0.000 1.334 369 I CB -2.066 35.989 38.000 0.092 0.000 1.040 369 I HN 0.434 nan 8.210 nan 0.000 0.405 370 P HA -0.091 nan 4.420 nan 0.000 0.228 370 P C 0.505 177.829 177.300 0.040 0.000 1.151 370 P CA 0.842 63.981 63.100 0.065 0.000 0.770 370 P CB -0.207 31.536 31.700 0.072 0.000 0.786 371 N N 0.304 119.028 118.700 0.039 0.000 2.469 371 N HA 0.171 4.912 4.740 0.001 0.000 0.239 371 N C 1.104 176.594 175.510 -0.034 0.000 1.053 371 N CA -0.020 53.006 53.050 -0.040 0.000 0.937 371 N CB 0.823 39.218 38.487 -0.154 0.000 1.163 371 N HN -0.158 nan 8.380 nan 0.000 0.509 372 A N 5.037 127.836 122.820 -0.034 0.000 1.892 372 A HA -0.227 4.094 4.320 0.001 0.000 0.218 372 A C 1.980 179.553 177.584 -0.018 0.000 1.188 372 A CA 1.630 53.659 52.037 -0.014 0.000 0.631 372 A CB -0.248 18.746 19.000 -0.010 0.000 0.822 372 A HN 0.713 nan 8.150 nan 0.000 0.447 373 K N -0.752 119.615 120.400 -0.056 0.000 2.044 373 K HA -0.190 4.130 4.320 0.001 0.000 0.210 373 K C 1.952 178.575 176.600 0.039 0.000 1.049 373 K CA 1.782 58.047 56.287 -0.036 0.000 0.927 373 K CB -0.533 31.924 32.500 -0.072 0.000 0.713 373 K HN 0.600 nan 8.250 nan 0.000 0.443 374 H N 0.605 119.661 119.070 -0.024 0.000 2.387 374 H HA -0.047 4.509 4.556 0.001 0.000 0.299 374 H C 2.016 177.297 175.328 -0.078 0.000 1.099 374 H CA 1.413 57.432 56.048 -0.048 0.000 1.315 374 H CB -0.067 29.674 29.762 -0.035 0.000 1.380 374 H HN 0.192 nan 8.280 nan 0.000 0.513 375 R N 0.019 120.559 120.500 0.068 0.000 2.073 375 R HA 0.027 4.368 4.340 0.001 0.000 0.229 375 R C 2.525 178.815 176.300 -0.017 0.000 1.120 375 R CA 0.898 57.000 56.100 0.004 0.000 0.967 375 R CB -0.186 30.127 30.300 0.021 0.000 0.862 375 R HN 0.253 nan 8.270 nan 0.000 0.436 376 A N 1.608 124.428 122.820 0.000 0.000 1.908 376 A HA -0.213 4.108 4.320 0.001 0.000 0.218 376 A C 1.911 179.479 177.584 -0.027 0.000 1.181 376 A CA 1.424 53.457 52.037 -0.006 0.000 0.627 376 A CB -0.398 18.602 19.000 0.001 0.000 0.818 376 A HN 0.315 nan 8.150 nan 0.000 0.445 377 E N -1.060 119.125 120.200 -0.026 0.000 2.097 377 E HA -0.220 4.131 4.350 0.001 0.000 0.196 377 E C 1.956 178.475 176.600 -0.135 0.000 1.000 377 E CA 1.514 57.879 56.400 -0.060 0.000 0.804 377 E CB -0.217 29.460 29.700 -0.039 0.000 0.740 377 E HN 0.511 nan 8.360 nan 0.000 0.454 378 M N -0.030 119.451 119.600 -0.197 0.000 2.357 378 M HA -0.025 4.456 4.480 0.001 0.000 0.266 378 M C 1.834 177.994 176.300 -0.233 0.000 1.095 378 M CA 1.098 56.159 55.300 -0.398 0.000 1.156 378 M CB -0.531 31.706 32.600 -0.605 0.000 1.365 378 M HN 0.040 nan 8.290 nan 0.000 0.447 379 E N 0.406 120.564 120.200 -0.070 0.000 2.077 379 E HA -0.200 4.151 4.350 0.001 0.000 0.193 379 E C 2.093 178.721 176.600 0.047 0.000 0.989 379 E CA 1.103 57.529 56.400 0.042 0.000 0.800 379 E CB -0.066 29.657 29.700 0.039 0.000 0.746 379 E HN 0.377 nan 8.360 nan 0.000 0.452 380 K N 0.880 121.281 120.400 0.001 0.000 2.026 380 K HA -0.149 4.172 4.320 0.001 0.000 0.208 380 K C 2.123 178.736 176.600 0.021 0.000 1.048 380 K CA 1.037 57.328 56.287 0.007 0.000 0.929 380 K CB -0.066 32.424 32.500 -0.016 0.000 0.713 380 K HN 0.107 nan 8.250 nan 0.000 0.439 381 L N -0.653 120.556 121.223 -0.022 0.000 2.141 381 L HA -0.140 4.201 4.340 0.001 0.000 0.209 381 L C 1.774 178.759 176.870 0.191 0.000 1.094 381 L CA 0.628 55.474 54.840 0.010 0.000 0.763 381 L CB -0.246 41.749 42.059 -0.107 0.000 0.908 381 L HN 0.323 nan 8.230 nan 0.000 0.437 382 W N 0.242 121.562 121.300 0.032 0.000 3.353 382 W HA 0.329 4.990 4.660 0.002 0.000 0.304 382 W C 1.301 177.822 176.519 0.004 0.000 1.273 382 W CA 0.064 57.427 57.345 0.030 0.000 1.773 382 W CB -0.981 28.486 29.460 0.011 0.000 1.095 382 W HN 0.213 nan 8.180 nan 0.000 0.676 383 G N 1.888 110.808 108.800 0.200 0.000 2.371 383 G HA2 -0.289 3.672 3.960 0.001 0.000 0.299 383 G HA3 -0.289 3.672 3.960 0.001 0.000 0.299 383 G C -0.149 174.806 174.900 0.092 0.000 1.014 383 G CA 0.107 45.271 45.100 0.106 0.000 1.097 383 G HN 0.188 nan 8.290 nan 0.000 0.512 384 L N 0.230 121.520 121.223 0.112 0.000 2.358 384 L HA 0.645 4.986 4.340 0.001 0.000 0.268 384 L C -1.362 175.543 176.870 0.058 0.000 1.032 384 L CA -2.539 52.355 54.840 0.091 0.000 0.805 384 L CB 1.158 43.299 42.059 0.137 0.000 1.253 384 L HN 0.026 nan 8.230 nan 0.000 0.452 385 P HA 0.034 nan 4.420 nan 0.000 0.275 385 P C -0.692 176.632 177.300 0.039 0.000 1.228 385 P CA -0.433 62.687 63.100 0.035 0.000 0.786 385 P CB 0.618 32.334 31.700 0.027 0.000 0.927 386 E N 1.301 121.519 120.200 0.030 0.000 2.900 386 E HA 0.027 4.378 4.350 0.001 0.000 0.259 386 E C 1.047 177.666 176.600 0.031 0.000 0.918 386 E CA 1.147 57.564 56.400 0.027 0.000 0.960 386 E CB -0.715 28.997 29.700 0.020 0.000 0.908 386 E HN 0.816 nan 8.360 nan 0.000 0.511 387 G N 3.926 112.747 108.800 0.034 0.000 2.143 387 G HA2 -0.351 3.610 3.960 0.001 0.000 0.249 387 G HA3 -0.351 3.610 3.960 0.001 0.000 0.249 387 G C 0.848 175.776 174.900 0.047 0.000 0.981 387 G CA 0.598 45.720 45.100 0.036 0.000 0.665 387 G HN 0.651 nan 8.290 nan 0.000 0.528 388 R N 0.194 120.728 120.500 0.057 0.000 2.119 388 R HA 0.297 4.638 4.340 0.001 0.000 0.222 388 R C 1.375 177.727 176.300 0.087 0.000 1.088 388 R CA 0.653 56.795 56.100 0.070 0.000 0.984 388 R CB -0.174 30.170 30.300 0.074 0.000 0.884 388 R HN 0.481 nan 8.270 nan 0.000 0.447 389 I N 2.335 122.960 120.570 0.091 0.000 2.517 389 I HA 0.108 4.279 4.170 0.001 0.000 0.285 389 I C 0.250 176.415 176.117 0.079 0.000 1.106 389 I CA -0.377 60.984 61.300 0.101 0.000 1.402 389 I CB 1.072 39.125 38.000 0.088 0.000 1.399 389 I HN 0.253 nan 8.210 nan 0.000 0.535 390 A N 9.158 132.029 122.820 0.086 0.000 2.540 390 A HA 0.180 4.501 4.320 0.001 0.000 0.239 390 A C -1.640 175.980 177.584 0.059 0.000 1.061 390 A CA -0.777 51.302 52.037 0.070 0.000 0.758 390 A CB -0.300 18.744 19.000 0.074 0.000 0.991 390 A HN 0.596 nan 8.150 nan 0.000 0.502 391 P HA 0.089 nan 4.420 nan 0.000 0.245 391 P C -0.127 177.200 177.300 0.044 0.000 1.212 391 P CA 0.856 63.982 63.100 0.043 0.000 0.774 391 P CB 0.305 32.025 31.700 0.034 0.000 0.999 392 E N -0.173 120.051 120.200 0.041 0.000 2.238 392 E HA 0.378 4.729 4.350 0.001 0.000 0.267 392 E C -2.600 174.025 176.600 0.041 0.000 0.887 392 E CA -2.806 53.615 56.400 0.036 0.000 0.769 392 E CB 1.103 30.812 29.700 0.015 0.000 1.187 392 E HN -0.090 nan 8.360 nan 0.000 0.416 393 P HA -0.007 nan 4.420 nan 0.000 0.265 393 P C -0.012 177.299 177.300 0.017 0.000 1.193 393 P CA 0.171 63.323 63.100 0.087 0.000 0.765 393 P CB 0.537 32.316 31.700 0.132 0.000 0.823 394 G N 1.928 110.749 108.800 0.035 0.000 2.647 394 G HA2 0.056 4.017 3.960 0.001 0.000 0.271 394 G HA3 0.056 4.017 3.960 0.001 0.000 0.271 394 G C -0.837 174.033 174.900 -0.049 0.000 1.300 394 G CA -0.465 44.609 45.100 -0.043 0.000 0.997 394 G HN 0.393 nan 8.290 nan 0.000 0.533 395 Y N 0.602 120.929 120.300 0.046 0.000 2.569 395 Y HA 0.191 4.742 4.550 0.001 0.000 0.332 395 Y C 1.473 177.390 175.900 0.028 0.000 1.120 395 Y CA -0.128 57.942 58.100 -0.050 0.000 1.416 395 Y CB -0.085 38.312 38.460 -0.105 0.000 1.210 395 Y HN 0.708 nan 8.280 nan 0.000 0.528 396 H N -0.497 118.708 119.070 0.224 0.000 2.801 396 H HA 0.066 4.623 4.556 0.002 0.000 0.377 396 H C 1.082 176.528 175.328 0.197 0.000 1.304 396 H CA 0.016 56.180 56.048 0.193 0.000 1.451 396 H CB 0.193 30.026 29.762 0.119 0.000 1.474 396 H HN 0.674 nan 8.280 nan 0.000 0.620 397 T N 0.811 115.573 114.554 0.346 0.000 2.607 397 T HA -0.210 4.140 4.350 0.001 0.000 0.267 397 T C 2.180 176.989 174.700 0.181 0.000 1.049 397 T CA 1.864 64.130 62.100 0.277 0.000 1.162 397 T CB -0.328 68.737 68.868 0.328 0.000 0.863 397 T HN 0.452 nan 8.240 nan 0.000 0.424 398 V N 1.575 121.600 119.914 0.185 0.000 2.343 398 V HA -0.167 3.953 4.120 0.001 0.000 0.247 398 V C 2.838 178.923 176.094 -0.014 0.000 1.051 398 V CA 1.744 64.092 62.300 0.080 0.000 1.036 398 V CB -1.154 30.722 31.823 0.088 0.000 0.654 398 V HN 0.561 nan 8.190 nan 0.000 0.451 399 A N -0.453 122.247 122.820 -0.201 0.000 2.015 399 A HA -0.142 4.179 4.320 0.001 0.000 0.219 399 A C 2.110 179.503 177.584 -0.320 0.000 1.163 399 A CA 1.707 53.556 52.037 -0.313 0.000 0.646 399 A CB -0.465 18.171 19.000 -0.607 0.000 0.806 399 A HN 0.451 nan 8.150 nan 0.000 0.448 400 L N -1.270 119.812 121.223 -0.235 0.000 1.994 400 L HA -0.054 4.287 4.340 0.001 0.000 0.208 400 L C 2.107 178.689 176.870 -0.479 0.000 1.071 400 L CA 2.030 56.654 54.840 -0.360 0.000 0.745 400 L CB -0.856 41.106 42.059 -0.162 0.000 0.892 400 L HN 0.370 nan 8.230 nan 0.000 0.431 401 F N -0.050 119.714 119.950 -0.310 0.000 2.325 401 F HA -0.087 4.441 4.527 0.002 0.000 0.299 401 F C 2.383 178.031 175.800 -0.253 0.000 1.090 401 F CA 1.104 58.934 58.000 -0.284 0.000 1.392 401 F CB -0.272 38.560 39.000 -0.279 0.000 1.053 401 F HN 0.189 nan 8.300 nan 0.000 0.521 402 E N 0.251 120.385 120.200 -0.109 0.000 2.072 402 E HA -0.190 4.161 4.350 0.001 0.000 0.191 402 E C 2.430 178.884 176.600 -0.243 0.000 0.985 402 E CA 0.967 57.281 56.400 -0.143 0.000 0.801 402 E CB -0.274 29.357 29.700 -0.114 0.000 0.750 402 E HN 0.371 nan 8.360 nan 0.000 0.452 403 A N 1.180 123.736 122.820 -0.440 0.000 1.883 403 A HA -0.197 4.124 4.320 0.001 0.000 0.217 403 A C 2.191 179.516 177.584 -0.431 0.000 1.186 403 A CA 1.231 52.916 52.037 -0.587 0.000 0.624 403 A CB -0.678 17.537 19.000 -1.309 0.000 0.822 403 A HN 0.259 nan 8.150 nan 0.000 0.444 404 L N -0.024 120.941 121.223 -0.430 0.000 2.127 404 L HA -0.063 4.278 4.340 0.001 0.000 0.211 404 L C 2.352 179.061 176.870 -0.268 0.000 1.089 404 L CA 2.077 56.699 54.840 -0.365 0.000 0.757 404 L CB -0.614 41.206 42.059 -0.398 0.000 0.899 404 L HN 0.328 nan 8.230 nan 0.000 0.434 405 G N -1.060 107.639 108.800 -0.170 0.000 2.422 405 G HA2 -0.195 3.765 3.960 0.001 0.000 0.218 405 G HA3 -0.195 3.765 3.960 0.001 0.000 0.218 405 G C 1.652 176.546 174.900 -0.010 0.000 1.140 405 G CA 0.452 45.526 45.100 -0.044 0.000 0.775 405 G HN 0.401 nan 8.290 nan 0.000 0.545 406 R N -0.285 120.148 120.500 -0.113 0.000 2.297 406 R HA 0.228 4.569 4.340 0.001 0.000 0.197 406 R C 1.718 177.909 176.300 -0.182 0.000 0.943 406 R CA 0.465 56.514 56.100 -0.085 0.000 1.038 406 R CB 0.233 30.479 30.300 -0.090 0.000 0.957 406 R HN 0.348 nan 8.270 nan 0.000 0.484 407 G N 1.513 110.057 108.800 -0.426 0.000 2.143 407 G HA2 -0.258 3.703 3.960 0.001 0.000 0.249 407 G HA3 -0.258 3.703 3.960 0.001 0.000 0.249 407 G C 0.262 174.941 174.900 -0.369 0.000 0.981 407 G CA 0.486 45.219 45.100 -0.612 0.000 0.665 407 G HN 0.282 nan 8.290 nan 0.000 0.528 408 D N -0.407 119.830 120.400 -0.272 0.000 2.149 408 D HA 0.052 4.693 4.640 0.001 0.000 0.201 408 D C 1.489 177.686 176.300 -0.171 0.000 0.972 408 D CA 1.080 54.974 54.000 -0.176 0.000 0.835 408 D CB 0.100 40.849 40.800 -0.085 0.000 0.966 408 D HN 0.366 nan 8.370 nan 0.000 0.476 409 V N 1.753 121.519 119.914 -0.246 0.000 2.364 409 V HA 0.120 4.241 4.120 0.001 0.000 0.272 409 V C 1.126 177.071 176.094 -0.248 0.000 1.036 409 V CA -0.200 61.979 62.300 -0.202 0.000 0.880 409 V CB 1.770 33.441 31.823 -0.253 0.000 0.991 409 V HN -0.039 nan 8.190 nan 0.000 0.460 410 K N 2.464 122.742 120.400 -0.204 0.000 2.276 410 K HA 0.212 4.533 4.320 0.001 0.000 0.198 410 K C 0.207 176.729 176.600 -0.130 0.000 1.052 410 K CA 0.495 56.664 56.287 -0.197 0.000 0.984 410 K CB 0.440 32.814 32.500 -0.211 0.000 0.836 410 K HN 0.594 nan 8.250 nan 0.000 0.490 411 C N 1.202 120.392 119.300 -0.182 0.000 2.507 411 C HA 0.651 5.112 4.460 0.001 0.000 0.319 411 C C -0.538 174.401 174.990 -0.085 0.000 1.208 411 C CA -0.959 57.908 59.018 -0.252 0.000 1.619 411 C CB 0.979 28.135 27.740 -0.974 0.000 2.230 411 C HN 0.386 nan 8.230 nan 0.000 0.492 412 M N 3.293 122.953 119.600 0.099 0.000 2.365 412 M HA 0.612 5.093 4.480 0.001 0.000 0.287 412 M C -1.972 174.496 176.300 0.280 0.000 1.154 412 M CA -0.364 55.063 55.300 0.212 0.000 0.941 412 M CB 1.376 33.945 32.600 -0.051 0.000 1.704 412 M HN 0.679 nan 8.290 nan 0.000 0.479 413 I N 5.441 126.204 120.570 0.322 0.000 2.321 413 I HA 0.374 4.545 4.170 0.001 0.000 0.291 413 I C -0.697 175.337 176.117 -0.137 0.000 0.998 413 I CA -0.549 60.817 61.300 0.111 0.000 1.227 413 I CB 1.260 39.393 38.000 0.221 0.000 1.368 413 I HN 0.596 nan 8.210 nan 0.000 0.466 414 I N 6.148 126.660 120.570 -0.097 0.000 2.304 414 I HA 0.234 4.405 4.170 0.001 0.000 0.291 414 I C -0.298 175.700 176.117 -0.198 0.000 1.018 414 I CA -0.219 61.025 61.300 -0.094 0.000 1.260 414 I CB 1.273 39.330 38.000 0.096 0.000 1.390 414 I HN 0.586 nan 8.210 nan 0.000 0.475 415 C N 6.483 125.545 119.300 -0.397 0.000 2.322 415 C HA 0.338 4.799 4.460 0.001 0.000 0.324 415 C C 0.567 175.497 174.990 -0.101 0.000 1.249 415 C CA -0.226 58.648 59.018 -0.240 0.000 1.453 415 C CB -0.265 27.281 27.740 -0.324 0.000 2.145 415 C HN 0.991 nan 8.230 nan 0.000 0.466 416 E N 3.526 123.750 120.200 0.040 0.000 2.271 416 E HA -0.166 4.185 4.350 0.001 0.000 0.223 416 E C -0.198 176.453 176.600 0.086 0.000 1.223 416 E CA 1.152 57.623 56.400 0.118 0.000 0.704 416 E CB -0.838 28.962 29.700 0.167 0.000 1.194 416 E HN 0.960 nan 8.360 nan 0.000 0.375 417 T N -0.994 113.602 114.554 0.071 0.000 2.802 417 T HA 0.395 4.746 4.350 0.001 0.000 0.311 417 T C -0.587 174.181 174.700 0.112 0.000 1.405 417 T CA -1.027 61.116 62.100 0.070 0.000 1.016 417 T CB 1.350 70.234 68.868 0.028 0.000 1.352 417 T HN 0.029 nan 8.240 nan 0.000 0.498 418 N N 1.712 120.472 118.700 0.100 0.000 2.723 418 N HA 0.317 5.058 4.740 0.001 0.000 0.290 418 N C -1.991 173.577 175.510 0.096 0.000 1.882 418 N CA -2.194 50.923 53.050 0.112 0.000 0.851 418 N CB 0.870 39.410 38.487 0.089 0.000 1.234 418 N HN 0.260 nan 8.380 nan 0.000 0.491 419 P HA -0.095 nan 4.420 nan 0.000 0.219 419 P C 0.993 178.206 177.300 -0.144 0.000 1.146 419 P CA 0.763 63.790 63.100 -0.122 0.000 0.808 419 P CB 0.309 31.806 31.700 -0.340 0.000 0.779 420 A N -1.110 121.705 122.820 -0.007 0.000 2.121 420 A HA -0.186 4.135 4.320 0.001 0.000 0.218 420 A C 2.093 179.815 177.584 0.229 0.000 1.154 420 A CA 1.499 53.597 52.037 0.102 0.000 0.679 420 A CB -1.584 17.511 19.000 0.158 0.000 0.795 420 A HN 0.308 nan 8.150 nan 0.000 0.458 421 H N -1.465 117.647 119.070 0.070 0.000 2.557 421 H HA 0.034 4.591 4.556 0.001 0.000 0.281 421 H C 1.916 177.246 175.328 0.004 0.000 0.990 421 H CA 1.293 57.388 56.048 0.079 0.000 1.278 421 H CB 0.593 30.416 29.762 0.101 0.000 1.451 421 H HN 0.513 nan 8.280 nan 0.000 0.516 422 T N -1.419 113.205 114.554 0.118 0.000 3.040 422 T HA 0.272 4.623 4.350 0.001 0.000 0.266 422 T C 0.466 175.122 174.700 -0.073 0.000 1.005 422 T CA -0.387 61.694 62.100 -0.032 0.000 0.906 422 T CB 0.017 68.812 68.868 -0.122 0.000 1.082 422 T HN 0.016 nan 8.240 nan 0.000 0.531 423 L N 3.079 124.238 121.223 -0.108 0.000 2.452 423 L HA 0.409 4.749 4.340 0.001 0.000 0.267 423 L C -1.987 174.847 176.870 -0.060 0.000 1.188 423 L CA -2.237 52.524 54.840 -0.132 0.000 0.821 423 L CB 0.502 42.322 42.059 -0.398 0.000 1.102 423 L HN 0.073 nan 8.230 nan 0.000 0.470 424 P HA 0.069 nan 4.420 nan 0.000 0.278 424 P C -0.548 176.649 177.300 -0.172 0.000 1.258 424 P CA -0.338 62.657 63.100 -0.174 0.000 0.811 424 P CB 0.694 32.076 31.700 -0.529 0.000 1.063 425 N N -0.273 118.359 118.700 -0.114 0.000 2.746 425 N HA -0.132 4.609 4.740 0.001 0.000 0.250 425 N C 0.768 176.163 175.510 -0.192 0.000 1.055 425 N CA 0.221 53.192 53.050 -0.131 0.000 0.699 425 N CB -1.479 36.928 38.487 -0.133 0.000 0.919 425 N HN 0.389 nan 8.380 nan 0.000 0.548 426 L N -0.273 120.810 121.223 -0.232 0.000 2.079 426 L HA -0.207 4.134 4.340 0.001 0.000 0.210 426 L C 1.916 178.469 176.870 -0.528 0.000 1.081 426 L CA 1.301 55.863 54.840 -0.463 0.000 0.752 426 L CB -0.336 41.423 42.059 -0.498 0.000 0.896 426 L HN 0.338 nan 8.230 nan 0.000 0.433 427 N N 0.343 118.889 118.700 -0.257 0.000 2.149 427 N HA -0.237 4.504 4.740 0.001 0.000 0.188 427 N C 1.753 177.210 175.510 -0.088 0.000 1.019 427 N CA 1.372 54.354 53.050 -0.113 0.000 0.857 427 N CB -0.211 38.244 38.487 -0.053 0.000 0.997 427 N HN 0.426 nan 8.380 nan 0.000 0.426 428 K N 1.119 121.448 120.400 -0.119 0.000 2.031 428 K HA -0.020 4.301 4.320 0.001 0.000 0.205 428 K C 1.847 178.391 176.600 -0.092 0.000 1.049 428 K CA 0.836 57.072 56.287 -0.086 0.000 0.939 428 K CB -0.059 32.388 32.500 -0.090 0.000 0.717 428 K HN -0.134 nan 8.250 nan 0.000 0.438 429 V N 1.812 121.626 119.914 -0.168 0.000 2.255 429 V HA -0.278 3.843 4.120 0.001 0.000 0.247 429 V C 2.120 178.147 176.094 -0.113 0.000 1.051 429 V CA 2.275 64.469 62.300 -0.175 0.000 1.018 429 V CB -0.883 30.745 31.823 -0.324 0.000 0.641 429 V HN 0.466 nan 8.190 nan 0.000 0.445 430 H N -0.257 118.717 119.070 -0.159 0.000 2.353 430 H HA -0.211 4.346 4.556 0.002 0.000 0.298 430 H C 2.485 177.785 175.328 -0.047 0.000 1.103 430 H CA 1.678 57.623 56.048 -0.172 0.000 1.293 430 H CB -0.011 29.745 29.762 -0.010 0.000 1.372 430 H HN 0.368 nan 8.280 nan 0.000 0.501 431 K N 0.444 120.909 120.400 0.107 0.000 2.032 431 K HA -0.143 4.178 4.320 0.001 0.000 0.209 431 K C 2.530 179.171 176.600 0.068 0.000 1.048 431 K CA 0.991 57.326 56.287 0.081 0.000 0.927 431 K CB -0.102 32.423 32.500 0.041 0.000 0.712 431 K HN 0.230 nan 8.250 nan 0.000 0.441 432 A N 0.904 123.747 122.820 0.038 0.000 1.902 432 A HA -0.179 4.142 4.320 0.001 0.000 0.217 432 A C 2.040 179.657 177.584 0.054 0.000 1.181 432 A CA 1.593 53.656 52.037 0.043 0.000 0.623 432 A CB -0.446 18.570 19.000 0.026 0.000 0.818 432 A HN 0.247 nan 8.150 nan 0.000 0.443 433 M N -0.185 119.420 119.600 0.008 0.000 2.549 433 M HA -0.035 4.446 4.480 0.001 0.000 0.260 433 M C 1.317 177.702 176.300 0.142 0.000 1.076 433 M CA 0.795 56.080 55.300 -0.024 0.000 1.090 433 M CB 0.044 32.427 32.600 -0.361 0.000 1.418 433 M HN 0.311 nan 8.290 nan 0.000 0.486 434 S N -1.427 114.382 115.700 0.182 0.000 2.577 434 S HA 0.038 4.509 4.470 0.001 0.000 0.219 434 S C 0.384 175.064 174.600 0.134 0.000 0.962 434 S CA -0.287 58.040 58.200 0.211 0.000 0.921 434 S CB -0.397 62.920 63.200 0.196 0.000 0.789 434 S HN 0.400 nan 8.310 nan 0.000 0.497 435 H N 4.104 123.200 119.070 0.043 0.000 3.216 435 H HA -0.001 4.556 4.556 0.001 0.000 0.283 435 H C -1.803 173.542 175.328 0.028 0.000 0.921 435 H CA -0.696 55.361 56.048 0.014 0.000 1.419 435 H CB 1.016 30.765 29.762 -0.023 0.000 1.460 435 H HN 0.121 nan 8.280 nan 0.000 0.553 436 P HA -0.089 nan 4.420 nan 0.000 0.228 436 P C 0.489 177.839 177.300 0.083 0.000 1.151 436 P CA 0.886 63.976 63.100 -0.017 0.000 0.770 436 P CB 0.499 32.148 31.700 -0.084 0.000 0.786 437 E N -0.287 120.049 120.200 0.227 0.000 2.501 437 E HA 0.075 4.426 4.350 0.001 0.000 0.201 437 E C 0.740 177.463 176.600 0.205 0.000 1.016 437 E CA 0.104 56.645 56.400 0.233 0.000 0.920 437 E CB 0.206 30.048 29.700 0.236 0.000 1.023 437 E HN 0.293 nan 8.360 nan 0.000 0.474 438 S N 0.405 116.241 115.700 0.227 0.000 2.601 438 S HA 0.429 4.900 4.470 0.001 0.000 0.271 438 S C -0.269 174.440 174.600 0.182 0.000 1.305 438 S CA -0.713 57.555 58.200 0.113 0.000 1.022 438 S CB 0.901 64.141 63.200 0.066 0.000 0.940 438 S HN 0.125 nan 8.310 nan 0.000 0.525 439 F N 2.234 122.169 119.950 -0.025 0.000 2.500 439 F HA 0.620 5.148 4.527 0.002 0.000 0.349 439 F C -1.284 174.531 175.800 0.026 0.000 1.127 439 F CA -1.213 56.789 58.000 0.003 0.000 0.998 439 F CB 0.612 39.602 39.000 -0.017 0.000 1.237 439 F HN 0.559 nan 8.300 nan 0.000 0.439 440 I N 7.026 127.347 120.570 -0.415 0.000 2.362 440 I HA 0.398 4.569 4.170 0.001 0.000 0.289 440 I C -0.958 174.902 176.117 -0.428 0.000 0.994 440 I CA -1.111 60.009 61.300 -0.301 0.000 1.158 440 I CB 1.803 39.752 38.000 -0.085 0.000 1.315 440 I HN 0.231 nan 8.210 nan 0.000 0.451 441 V N 5.750 125.477 119.914 -0.312 0.000 2.347 441 V HA 0.276 4.397 4.120 0.001 0.000 0.280 441 V C -0.261 175.781 176.094 -0.087 0.000 1.021 441 V CA -0.489 61.679 62.300 -0.220 0.000 0.847 441 V CB 1.323 33.067 31.823 -0.132 0.000 0.990 441 V HN 0.790 nan 8.190 nan 0.000 0.444 442 C N 6.483 125.745 119.300 -0.064 0.000 2.281 442 C HA 0.566 5.027 4.460 0.001 0.000 0.325 442 C C 0.387 175.373 174.990 -0.007 0.000 1.282 442 C CA -0.733 58.275 59.018 -0.016 0.000 1.640 442 C CB 0.090 27.837 27.740 0.013 0.000 2.288 442 C HN 0.718 nan 8.230 nan 0.000 0.507 443 I N 3.892 124.472 120.570 0.016 0.000 2.291 443 I HA 0.380 4.551 4.170 0.001 0.000 0.290 443 I C -0.089 176.073 176.117 0.075 0.000 1.050 443 I CA 0.528 61.862 61.300 0.058 0.000 1.245 443 I CB 0.514 38.580 38.000 0.111 0.000 1.405 443 I HN 0.661 nan 8.210 nan 0.000 0.478 444 E N 5.217 125.457 120.200 0.068 0.000 2.335 444 E HA 0.579 4.930 4.350 0.001 0.000 0.280 444 E C -0.585 176.041 176.600 0.045 0.000 0.918 444 E CA -0.493 55.960 56.400 0.089 0.000 0.765 444 E CB 1.892 31.644 29.700 0.088 0.000 1.218 444 E HN 0.489 nan 8.360 nan 0.000 0.425 445 A N 3.520 126.367 122.820 0.046 0.000 1.984 445 A HA 0.305 4.626 4.320 0.001 0.000 0.214 445 A C -0.034 177.260 177.584 -0.484 0.000 1.173 445 A CA 0.455 52.350 52.037 -0.235 0.000 0.673 445 A CB 0.009 18.818 19.000 -0.319 0.000 0.830 445 A HN 0.393 nan 8.150 nan 0.000 0.453 446 F N -0.511 119.444 119.950 0.008 0.000 2.477 446 F HA 0.404 4.932 4.527 0.002 0.000 0.335 446 F C -1.708 174.100 175.800 0.012 0.000 1.130 446 F CA -2.185 55.808 58.000 -0.012 0.000 0.948 446 F CB 1.968 40.952 39.000 -0.026 0.000 1.154 446 F HN -0.055 nan 8.300 nan 0.000 0.439 447 P HA -0.115 nan 4.420 nan 0.000 0.234 447 P C 0.455 177.817 177.300 0.103 0.000 1.167 447 P CA 1.129 64.282 63.100 0.088 0.000 0.763 447 P CB 0.137 31.867 31.700 0.050 0.000 0.835 448 D N -0.640 119.843 120.400 0.139 0.000 2.339 448 D HA 0.065 4.706 4.640 0.001 0.000 0.217 448 D C 0.616 176.994 176.300 0.130 0.000 1.050 448 D CA -0.214 53.855 54.000 0.114 0.000 0.856 448 D CB -0.362 40.499 40.800 0.102 0.000 0.922 448 D HN -0.016 nan 8.370 nan 0.000 0.518 449 A N 1.295 124.206 122.820 0.152 0.000 2.561 449 A HA 0.063 4.384 4.320 0.001 0.000 0.251 449 A C 1.508 179.184 177.584 0.153 0.000 1.062 449 A CA -0.236 51.897 52.037 0.159 0.000 0.761 449 A CB 0.644 19.744 19.000 0.165 0.000 0.986 449 A HN 0.087 nan 8.150 nan 0.000 0.510 450 V N 3.374 123.401 119.914 0.188 0.000 2.392 450 V HA -0.196 3.925 4.120 0.001 0.000 0.249 450 V C 2.544 178.762 176.094 0.205 0.000 1.059 450 V CA 2.886 65.291 62.300 0.175 0.000 1.051 450 V CB -0.753 31.195 31.823 0.208 0.000 0.658 450 V HN 1.051 nan 8.190 nan 0.000 0.455 451 T N 0.470 115.163 114.554 0.232 0.000 2.778 451 T HA -0.197 4.154 4.350 0.001 0.000 0.269 451 T C 1.704 176.552 174.700 0.247 0.000 1.050 451 T CA 1.684 63.942 62.100 0.264 0.000 1.137 451 T CB -0.307 68.670 68.868 0.183 0.000 0.860 451 T HN 0.412 nan 8.240 nan 0.000 0.468 452 L N 0.656 121.969 121.223 0.149 0.000 2.362 452 L HA -0.057 4.283 4.340 0.001 0.000 0.219 452 L C 2.426 179.317 176.870 0.034 0.000 1.134 452 L CA 1.069 55.961 54.840 0.086 0.000 0.807 452 L CB -0.577 41.517 42.059 0.059 0.000 0.927 452 L HN 0.381 nan 8.230 nan 0.000 0.447 453 E N -0.665 119.531 120.200 -0.006 0.000 2.333 453 E HA -0.200 4.150 4.350 0.001 0.000 0.198 453 E C 1.312 177.694 176.600 -0.365 0.000 1.007 453 E CA 1.118 57.390 56.400 -0.213 0.000 0.845 453 E CB 0.042 29.541 29.700 -0.334 0.000 0.766 453 E HN 0.580 nan 8.360 nan 0.000 0.507 454 Y N -0.210 120.085 120.300 -0.008 0.000 2.462 454 Y HA 0.308 4.859 4.550 0.001 0.000 0.253 454 Y C 0.984 176.877 175.900 -0.010 0.000 1.095 454 Y CA -0.310 57.789 58.100 -0.001 0.000 1.283 454 Y CB 0.326 38.798 38.460 0.020 0.000 1.138 454 Y HN -0.123 nan 8.280 nan 0.000 0.522 455 A N 0.902 123.782 122.820 0.100 0.000 2.498 455 A HA 0.014 4.335 4.320 0.001 0.000 0.239 455 A C 0.780 178.351 177.584 -0.023 0.000 1.068 455 A CA 0.276 52.322 52.037 0.015 0.000 0.766 455 A CB 0.105 19.103 19.000 -0.004 0.000 1.003 455 A HN 0.395 nan 8.150 nan 0.000 0.497 456 D N 0.056 120.406 120.400 -0.084 0.000 2.355 456 D HA 0.166 4.807 4.640 0.001 0.000 0.206 456 D C -0.225 176.043 176.300 -0.054 0.000 1.010 456 D CA 0.747 54.717 54.000 -0.050 0.000 0.875 456 D CB 0.390 41.176 40.800 -0.024 0.000 0.966 456 D HN 0.352 nan 8.370 nan 0.000 0.512 457 L N 0.538 121.679 121.223 -0.136 0.000 2.472 457 L HA 0.365 4.706 4.340 0.001 0.000 0.260 457 L C -1.785 175.024 176.870 -0.102 0.000 0.963 457 L CA -0.693 54.093 54.840 -0.088 0.000 0.829 457 L CB 2.526 44.553 42.059 -0.052 0.000 1.348 457 L HN -0.344 nan 8.230 nan 0.000 0.408 458 V N 5.435 125.291 119.914 -0.096 0.000 2.525 458 V HA 0.531 4.651 4.120 0.001 0.000 0.299 458 V C -0.485 175.512 176.094 -0.162 0.000 1.034 458 V CA -0.520 61.722 62.300 -0.097 0.000 0.863 458 V CB 1.689 33.468 31.823 -0.073 0.000 0.999 458 V HN 0.636 nan 8.190 nan 0.000 0.423 459 L N 6.442 127.578 121.223 -0.146 0.000 2.325 459 L HA 0.624 4.965 4.340 0.001 0.000 0.278 459 L C -2.480 174.323 176.870 -0.111 0.000 1.023 459 L CA -1.836 52.853 54.840 -0.252 0.000 0.811 459 L CB 2.610 44.587 42.059 -0.138 0.000 1.249 459 L HN 0.404 nan 8.230 nan 0.000 0.431 460 P HA 0.291 nan 4.420 nan 0.000 0.291 460 P C -2.709 174.722 177.300 0.219 0.000 1.378 460 P CA -1.966 61.162 63.100 0.046 0.000 0.853 460 P CB 0.782 32.498 31.700 0.026 0.000 1.002 461 P HA 0.216 nan 4.420 nan 0.000 0.281 461 P C -0.325 177.072 177.300 0.162 0.000 1.249 461 P CA -0.555 62.661 63.100 0.193 0.000 0.810 461 P CB 0.912 32.720 31.700 0.179 0.000 1.008 462 A N 3.057 125.965 122.820 0.148 0.000 2.520 462 A HA 0.245 4.566 4.320 0.001 0.000 0.245 462 A C -0.379 177.317 177.584 0.186 0.000 1.072 462 A CA -0.047 52.066 52.037 0.128 0.000 0.761 462 A CB -0.811 18.228 19.000 0.064 0.000 1.004 462 A HN 0.553 nan 8.150 nan 0.000 0.499 463 F N 4.525 124.506 119.950 0.052 0.000 2.410 463 F HA 0.507 5.035 4.527 0.001 0.000 0.349 463 F C 0.489 176.409 175.800 0.199 0.000 1.117 463 F CA -0.413 57.660 58.000 0.122 0.000 1.104 463 F CB 0.365 39.424 39.000 0.098 0.000 1.122 463 F HN 0.947 nan 8.300 nan 0.000 0.483 464 W N 4.291 125.148 121.300 -0.739 0.000 2.466 464 W HA -0.457 4.204 4.660 0.001 0.000 0.298 464 W C 1.407 177.659 176.519 -0.445 0.000 1.630 464 W CA 2.740 59.596 57.345 -0.816 0.000 1.649 464 W CB -1.610 26.979 29.460 -1.451 0.000 0.912 464 W HN 0.878 nan 8.180 nan 0.000 0.481 465 C N 0.612 119.387 119.300 -0.874 0.000 2.559 465 C HA 0.464 4.925 4.460 0.001 0.000 0.300 465 C C 1.651 176.393 174.990 -0.415 0.000 1.288 465 C CA 0.485 59.031 59.018 -0.787 0.000 1.699 465 C CB -1.478 25.570 27.740 -1.154 0.000 1.819 465 C HN 0.483 nan 8.230 nan 0.000 0.600 466 E N 1.578 121.640 120.200 -0.230 0.000 2.478 466 E HA -0.031 4.320 4.350 0.001 0.000 0.198 466 E C 1.094 177.631 176.600 -0.107 0.000 1.046 466 E CA 0.538 56.875 56.400 -0.104 0.000 0.870 466 E CB 0.170 29.879 29.700 0.015 0.000 0.818 466 E HN 0.790 nan 8.360 nan 0.000 0.527 467 R N 1.025 121.434 120.500 -0.150 0.000 2.734 467 R HA 0.145 4.486 4.340 0.001 0.000 0.271 467 R C -1.492 174.698 176.300 -0.183 0.000 1.021 467 R CA -0.801 55.219 56.100 -0.133 0.000 0.893 467 R CB 0.490 30.742 30.300 -0.081 0.000 1.244 467 R HN -0.147 nan 8.270 nan 0.000 0.464 468 D N 0.088 120.390 120.400 -0.163 0.000 2.348 468 D HA 0.671 5.312 4.640 0.001 0.000 0.249 468 D C 0.131 176.315 176.300 -0.193 0.000 1.110 468 D CA -0.152 53.733 54.000 -0.193 0.000 0.967 468 D CB 1.586 42.286 40.800 -0.167 0.000 1.139 468 D HN 0.795 nan 8.370 nan 0.000 0.466 469 G N -1.202 107.453 108.800 -0.242 0.000 2.328 469 G HA2 0.380 4.341 3.960 0.001 0.000 0.299 469 G HA3 0.380 4.341 3.960 0.001 0.000 0.299 469 G C -1.831 172.884 174.900 -0.308 0.000 1.435 469 G CA -0.674 44.282 45.100 -0.242 0.000 0.865 469 G HN 0.490 nan 8.290 nan 0.000 0.601 470 V N 0.746 120.501 119.914 -0.265 0.000 2.581 470 V HA 0.704 4.825 4.120 0.001 0.000 0.303 470 V C -1.025 175.082 176.094 0.023 0.000 1.041 470 V CA -0.828 61.315 62.300 -0.262 0.000 0.907 470 V CB 1.652 33.139 31.823 -0.558 0.000 0.994 470 V HN 0.630 nan 8.190 nan 0.000 0.442 471 Y N 1.605 121.866 120.300 -0.066 0.000 2.409 471 Y HA 0.735 5.286 4.550 0.002 0.000 0.343 471 Y C 0.527 176.477 175.900 0.082 0.000 0.973 471 Y CA -1.574 56.542 58.100 0.026 0.000 1.064 471 Y CB 2.313 40.811 38.460 0.063 0.000 1.207 471 Y HN 0.672 nan 8.280 nan 0.000 0.452 472 G N 2.628 111.576 108.800 0.247 0.000 2.533 472 G HA2 0.502 4.463 3.960 0.001 0.000 0.310 472 G HA3 0.502 4.463 3.960 0.001 0.000 0.310 472 G C 0.014 175.094 174.900 0.299 0.000 1.266 472 G CA -0.551 44.780 45.100 0.386 0.000 0.967 472 G HN 0.897 nan 8.290 nan 0.000 0.493 473 C N 1.208 120.669 119.300 0.270 0.000 2.672 473 C HA 0.770 5.231 4.460 0.001 0.000 0.317 473 C C 2.179 177.272 174.990 0.171 0.000 2.142 473 C CA 0.157 59.305 59.018 0.217 0.000 1.910 473 C CB 0.690 28.592 27.740 0.270 0.000 1.919 473 C HN 0.700 nan 8.230 nan 0.000 0.515 474 G N -0.134 108.780 108.800 0.190 0.000 2.776 474 G HA2 0.069 4.030 3.960 0.001 0.000 0.209 474 G HA3 0.069 4.030 3.960 0.001 0.000 0.209 474 G C 1.051 175.905 174.900 -0.078 0.000 1.145 474 G CA 0.940 46.118 45.100 0.130 0.000 0.791 474 G HN 0.995 nan 8.290 nan 0.000 0.530 475 E N -1.253 118.783 120.200 -0.274 0.000 2.603 475 E HA 0.330 4.681 4.350 0.001 0.000 0.211 475 E C 1.140 177.494 176.600 -0.410 0.000 0.995 475 E CA -0.711 55.425 56.400 -0.439 0.000 0.990 475 E CB 0.144 29.143 29.700 -1.169 0.000 1.036 475 E HN 0.174 nan 8.360 nan 0.000 0.475 476 R N -0.033 120.286 120.500 -0.303 0.000 3.892 476 R HA -0.160 4.181 4.340 0.001 0.000 0.441 476 R C -0.027 176.107 176.300 -0.278 0.000 1.052 476 R CA 0.769 56.615 56.100 -0.423 0.000 1.190 476 R CB -1.826 27.831 30.300 -1.071 0.000 1.808 476 R HN 0.233 nan 8.270 nan 0.000 0.538 477 R N 1.602 122.042 120.500 -0.100 0.000 2.404 477 R HA 0.051 4.392 4.340 0.001 0.000 0.315 477 R C -0.641 175.851 176.300 0.319 0.000 1.032 477 R CA 0.149 56.281 56.100 0.052 0.000 0.992 477 R CB 0.305 30.654 30.300 0.082 0.000 0.959 477 R HN -0.063 nan 8.270 nan 0.000 0.428 478 Y N 2.233 122.634 120.300 0.169 0.000 2.404 478 Y HA 0.236 4.787 4.550 0.002 0.000 0.344 478 Y C 0.221 176.174 175.900 0.089 0.000 0.995 478 Y CA -0.699 57.499 58.100 0.163 0.000 1.201 478 Y CB 1.564 40.144 38.460 0.200 0.000 1.151 478 Y HN 0.488 nan 8.280 nan 0.000 0.517 479 S N 3.723 119.555 115.700 0.220 0.000 2.513 479 S HA 0.560 5.031 4.470 0.001 0.000 0.299 479 S C -1.056 173.534 174.600 -0.017 0.000 1.087 479 S CA -0.670 57.594 58.200 0.106 0.000 1.012 479 S CB 1.871 65.162 63.200 0.151 0.000 1.044 479 S HN 0.489 nan 8.310 nan 0.000 0.485 480 L N 2.676 123.843 121.223 -0.094 0.000 2.325 480 L HA 0.613 4.954 4.340 0.001 0.000 0.279 480 L C -0.292 176.480 176.870 -0.163 0.000 1.054 480 L CA 0.330 55.053 54.840 -0.196 0.000 0.804 480 L CB 1.468 43.384 42.059 -0.237 0.000 1.200 480 L HN 0.584 nan 8.230 nan 0.000 0.436 481 T N 3.911 118.329 114.554 -0.226 0.000 2.772 481 T HA 0.404 4.754 4.350 0.001 0.000 0.288 481 T C -0.273 174.275 174.700 -0.253 0.000 0.994 481 T CA -0.459 61.496 62.100 -0.241 0.000 0.951 481 T CB 0.717 69.395 68.868 -0.317 0.000 0.933 481 T HN 0.626 nan 8.240 nan 0.000 0.447 482 E N 1.778 121.847 120.200 -0.219 0.000 2.351 482 E HA 0.271 4.622 4.350 0.001 0.000 0.255 482 E C 0.127 176.587 176.600 -0.235 0.000 1.188 482 E CA -0.789 55.491 56.400 -0.199 0.000 0.940 482 E CB 0.960 30.571 29.700 -0.149 0.000 1.094 482 E HN 0.374 nan 8.360 nan 0.000 0.474 483 K N 0.330 120.614 120.400 -0.193 0.000 2.258 483 K HA 0.281 4.602 4.320 0.001 0.000 0.284 483 K C -0.291 176.199 176.600 -0.184 0.000 1.051 483 K CA 0.053 56.223 56.287 -0.195 0.000 0.923 483 K CB 0.870 33.282 32.500 -0.146 0.000 1.046 483 K HN 0.543 nan 8.250 nan 0.000 0.474 484 A N 4.226 126.914 122.820 -0.220 0.000 2.070 484 A HA 0.186 4.507 4.320 0.001 0.000 0.202 484 A C 0.056 177.546 177.584 -0.157 0.000 1.277 484 A CA 0.619 52.535 52.037 -0.201 0.000 0.872 484 A CB 0.345 19.184 19.000 -0.269 0.000 0.933 484 A HN 0.527 nan 8.150 nan 0.000 0.475 485 V N -2.912 116.916 119.914 -0.144 0.000 3.159 485 V HA 0.550 4.671 4.120 0.001 0.000 0.308 485 V C -1.833 174.218 176.094 -0.072 0.000 1.190 485 V CA -1.313 60.930 62.300 -0.094 0.000 1.037 485 V CB 1.546 33.327 31.823 -0.070 0.000 1.060 485 V HN 0.061 nan 8.190 nan 0.000 0.437 486 D N 2.706 123.077 120.400 -0.048 0.000 2.341 486 D HA 0.490 5.131 4.640 0.001 0.000 0.245 486 D C -2.466 173.829 176.300 -0.009 0.000 1.106 486 D CA -0.861 53.120 54.000 -0.032 0.000 0.905 486 D CB 1.391 42.176 40.800 -0.025 0.000 1.202 486 D HN 0.577 nan 8.370 nan 0.000 0.426 487 P HA 0.246 nan 4.420 nan 0.000 0.274 487 P C -2.469 174.850 177.300 0.031 0.000 1.237 487 P CA -1.215 61.904 63.100 0.032 0.000 0.793 487 P CB -0.229 31.498 31.700 0.045 0.000 0.977 488 P HA 0.151 nan 4.420 nan 0.000 0.276 488 P C 0.782 178.105 177.300 0.038 0.000 1.244 488 P CA 0.340 63.455 63.100 0.025 0.000 0.801 488 P CB 0.356 32.063 31.700 0.012 0.000 1.006 489 G N 2.424 111.245 108.800 0.036 0.000 2.634 489 G HA2 -0.330 3.631 3.960 0.001 0.000 0.318 489 G HA3 -0.330 3.631 3.960 0.001 0.000 0.318 489 G C 0.500 175.451 174.900 0.086 0.000 1.207 489 G CA 0.457 45.588 45.100 0.051 0.000 0.987 489 G HN 0.614 nan 8.290 nan 0.000 0.547 490 Q N -0.296 119.586 119.800 0.136 0.000 2.179 490 Q HA 0.301 4.642 4.340 0.001 0.000 0.213 490 Q C 0.480 176.705 176.000 0.375 0.000 0.833 490 Q CA -0.275 55.681 55.803 0.255 0.000 0.990 490 Q CB 0.747 29.689 28.738 0.338 0.000 1.132 490 Q HN 0.527 nan 8.270 nan 0.000 0.493 491 C N 2.100 121.537 119.300 0.229 0.000 2.634 491 C HA 0.157 4.618 4.460 0.001 0.000 0.417 491 C C 0.765 175.864 174.990 0.182 0.000 1.334 491 C CA 0.195 59.352 59.018 0.230 0.000 1.829 491 C CB -0.481 27.335 27.740 0.126 0.000 2.665 491 C HN 0.376 nan 8.230 nan 0.000 0.614 492 R N 2.660 123.285 120.500 0.208 0.000 2.725 492 R HA 0.403 4.744 4.340 0.001 0.000 0.277 492 R C -2.923 173.412 176.300 0.059 0.000 0.987 492 R CA -1.576 54.539 56.100 0.026 0.000 0.901 492 R CB 1.678 31.820 30.300 -0.263 0.000 1.207 492 R HN 0.357 nan 8.270 nan 0.000 0.463 493 P HA 0.046 nan 4.420 nan 0.000 0.267 493 P C 0.228 177.558 177.300 0.051 0.000 1.205 493 P CA 0.106 63.222 63.100 0.026 0.000 0.765 493 P CB 0.764 32.457 31.700 -0.011 0.000 0.828 494 T N 1.566 116.178 114.554 0.097 0.000 2.833 494 T HA -0.106 4.245 4.350 0.001 0.000 0.269 494 T C 1.788 176.550 174.700 0.102 0.000 1.054 494 T CA 0.975 63.158 62.100 0.139 0.000 1.135 494 T CB -0.408 68.573 68.868 0.189 0.000 0.869 494 T HN 0.086 nan 8.240 nan 0.000 0.466 495 V N 2.739 122.690 119.914 0.060 0.000 2.250 495 V HA -0.279 3.842 4.120 0.001 0.000 0.250 495 V C 2.414 178.534 176.094 0.043 0.000 1.060 495 V CA 1.814 64.133 62.300 0.031 0.000 1.030 495 V CB -0.489 31.332 31.823 -0.003 0.000 0.643 495 V HN 0.563 nan 8.190 nan 0.000 0.445 496 N N -0.565 118.148 118.700 0.021 0.000 2.188 496 N HA -0.135 4.606 4.740 0.001 0.000 0.184 496 N C 1.829 177.343 175.510 0.007 0.000 1.018 496 N CA 1.912 54.963 53.050 0.002 0.000 0.858 496 N CB -0.467 37.986 38.487 -0.056 0.000 0.989 496 N HN 0.486 nan 8.380 nan 0.000 0.426 497 T N 2.282 116.847 114.554 0.019 0.000 2.684 497 T HA -0.091 4.260 4.350 0.001 0.000 0.267 497 T C 1.975 176.785 174.700 0.183 0.000 1.036 497 T CA 0.677 62.831 62.100 0.091 0.000 1.148 497 T CB -0.206 68.781 68.868 0.198 0.000 0.863 497 T HN 0.013 nan 8.240 nan 0.000 0.436 498 L N 0.888 122.216 121.223 0.174 0.000 2.079 498 L HA -0.055 4.286 4.340 0.001 0.000 0.210 498 L C 2.583 179.553 176.870 0.167 0.000 1.081 498 L CA 1.233 56.200 54.840 0.212 0.000 0.752 498 L CB -1.256 40.867 42.059 0.107 0.000 0.896 498 L HN 0.159 nan 8.230 nan 0.000 0.433 499 V N -0.864 119.113 119.914 0.105 0.000 2.244 499 V HA -0.238 3.883 4.120 0.001 0.000 0.244 499 V C 2.575 178.687 176.094 0.029 0.000 1.042 499 V CA 1.589 63.924 62.300 0.058 0.000 1.006 499 V CB -0.445 31.427 31.823 0.081 0.000 0.641 499 V HN 0.341 nan 8.190 nan 0.000 0.446 500 E N 0.208 120.443 120.200 0.058 0.000 2.097 500 E HA -0.261 4.090 4.350 0.001 0.000 0.196 500 E C 1.903 178.577 176.600 0.122 0.000 1.000 500 E CA 1.643 58.080 56.400 0.062 0.000 0.804 500 E CB -0.575 29.156 29.700 0.051 0.000 0.740 500 E HN 0.526 nan 8.360 nan 0.000 0.454 501 F N 0.571 120.542 119.950 0.035 0.000 2.126 501 F HA -0.183 4.345 4.527 0.001 0.000 0.299 501 F C 1.988 177.783 175.800 -0.007 0.000 1.096 501 F CA 1.993 60.016 58.000 0.039 0.000 1.255 501 F CB -0.809 38.218 39.000 0.044 0.000 0.997 501 F HN 0.073 nan 8.300 nan 0.000 0.479 502 A N 0.631 123.222 122.820 -0.382 0.000 1.929 502 A HA -0.072 4.249 4.320 0.001 0.000 0.216 502 A C 2.369 179.755 177.584 -0.331 0.000 1.176 502 A CA 1.142 52.840 52.037 -0.565 0.000 0.628 502 A CB -0.615 18.098 19.000 -0.478 0.000 0.816 502 A HN 0.439 nan 8.150 nan 0.000 0.444 503 R N -0.652 119.737 120.500 -0.186 0.000 2.081 503 R HA -0.088 4.253 4.340 0.001 0.000 0.235 503 R C 2.355 178.601 176.300 -0.090 0.000 1.131 503 R CA 1.622 57.649 56.100 -0.122 0.000 0.960 503 R CB -0.259 29.997 30.300 -0.074 0.000 0.856 503 R HN 0.430 nan 8.270 nan 0.000 0.436 504 R N 0.117 120.579 120.500 -0.063 0.000 2.115 504 R HA 0.006 4.347 4.340 0.001 0.000 0.226 504 R C 1.761 178.051 176.300 -0.016 0.000 1.100 504 R CA 1.173 57.270 56.100 -0.005 0.000 0.980 504 R CB 0.004 30.348 30.300 0.074 0.000 0.875 504 R HN 0.148 nan 8.270 nan 0.000 0.445 505 A N -0.329 122.432 122.820 -0.099 0.000 2.302 505 A HA 0.290 4.611 4.320 0.001 0.000 0.219 505 A C 1.271 178.854 177.584 -0.002 0.000 1.243 505 A CA 0.595 52.609 52.037 -0.038 0.000 0.856 505 A CB -0.236 18.710 19.000 -0.089 0.000 0.893 505 A HN 0.422 nan 8.150 nan 0.000 0.491 506 G N -1.412 107.360 108.800 -0.046 0.000 2.179 506 G HA2 -0.237 3.724 3.960 0.001 0.000 0.260 506 G HA3 -0.237 3.724 3.960 0.001 0.000 0.260 506 G C 0.358 175.222 174.900 -0.061 0.000 0.977 506 G CA 0.112 45.191 45.100 -0.034 0.000 0.641 506 G HN 0.799 nan 8.290 nan 0.000 0.533 507 V N 1.958 121.796 119.914 -0.127 0.000 2.720 507 V HA 0.101 4.222 4.120 0.001 0.000 0.307 507 V C 1.129 177.123 176.094 -0.167 0.000 1.071 507 V CA 0.296 62.471 62.300 -0.208 0.000 1.199 507 V CB 1.078 32.654 31.823 -0.412 0.000 0.900 507 V HN 0.462 nan 8.190 nan 0.000 0.494 508 D N 6.905 127.217 120.400 -0.146 0.000 2.450 508 D HA 0.037 4.678 4.640 0.001 0.000 0.247 508 D C -1.638 174.570 176.300 -0.154 0.000 1.162 508 D CA -1.119 52.807 54.000 -0.123 0.000 0.879 508 D CB 1.776 42.516 40.800 -0.099 0.000 1.163 508 D HN 0.311 nan 8.370 nan 0.000 0.472 509 P HA -0.034 nan 4.420 nan 0.000 0.241 509 P C 1.128 178.319 177.300 -0.181 0.000 1.191 509 P CA 0.474 63.481 63.100 -0.155 0.000 0.771 509 P CB 0.234 31.863 31.700 -0.119 0.000 0.929 510 Q N -0.455 119.252 119.800 -0.155 0.000 2.181 510 Q HA -0.146 4.195 4.340 0.001 0.000 0.205 510 Q C 1.573 177.436 176.000 -0.229 0.000 0.980 510 Q CA 1.090 56.797 55.803 -0.160 0.000 0.862 510 Q CB -0.442 28.236 28.738 -0.101 0.000 0.905 510 Q HN 0.133 nan 8.270 nan 0.000 0.429 511 L N -0.654 120.425 121.223 -0.240 0.000 2.109 511 L HA -0.085 4.255 4.340 0.001 0.000 0.207 511 L C 1.419 178.049 176.870 -0.400 0.000 1.086 511 L CA 1.040 55.702 54.840 -0.297 0.000 0.760 511 L CB 0.048 41.933 42.059 -0.290 0.000 0.910 511 L HN 0.187 nan 8.230 nan 0.000 0.437 512 V N -3.107 116.566 119.914 -0.402 0.000 2.852 512 V HA 0.359 4.480 4.120 0.001 0.000 0.359 512 V C 0.376 176.078 176.094 -0.653 0.000 1.244 512 V CA -0.635 61.415 62.300 -0.416 0.000 1.371 512 V CB -0.448 31.289 31.823 -0.143 0.000 1.491 512 V HN 0.261 nan 8.190 nan 0.000 0.603 513 N N 2.372 120.452 118.700 -1.033 0.000 3.178 513 N HA 0.360 5.100 4.740 0.001 0.000 0.300 513 N C -1.130 173.974 175.510 -0.677 0.000 1.242 513 N CA -0.176 52.477 53.050 -0.662 0.000 1.192 513 N CB -0.629 37.587 38.487 -0.452 0.000 1.463 513 N HN 0.644 nan 8.380 nan 0.000 0.539 514 F N -0.257 119.682 119.950 -0.019 0.000 2.557 514 F HA 0.414 4.942 4.527 0.002 0.000 0.316 514 F C 1.271 177.064 175.800 -0.012 0.000 1.141 514 F CA -1.049 56.948 58.000 -0.004 0.000 0.922 514 F CB 1.879 40.883 39.000 0.006 0.000 1.194 514 F HN 0.012 nan 8.300 nan 0.000 0.443 515 R N 1.041 121.644 120.500 0.170 0.000 2.140 515 R HA 0.101 4.442 4.340 0.001 0.000 0.213 515 R C -0.212 176.130 176.300 0.069 0.000 1.059 515 R CA 0.713 56.863 56.100 0.083 0.000 1.000 515 R CB 0.012 30.340 30.300 0.048 0.000 0.910 515 R HN 0.789 nan 8.270 nan 0.000 0.455 516 N N -3.009 115.743 118.700 0.087 0.000 3.106 516 N HA 0.205 4.946 4.740 0.001 0.000 0.253 516 N C -0.178 175.346 175.510 0.022 0.000 1.506 516 N CA -0.168 52.903 53.050 0.036 0.000 0.876 516 N CB 0.395 38.889 38.487 0.013 0.000 1.452 516 N HN -0.151 nan 8.380 nan 0.000 0.542 517 A N -0.395 122.416 122.820 -0.015 0.000 1.978 517 A HA -0.185 4.136 4.320 0.001 0.000 0.220 517 A C 1.741 179.336 177.584 0.019 0.000 1.170 517 A CA 1.865 53.885 52.037 -0.028 0.000 0.636 517 A CB -0.988 17.980 19.000 -0.054 0.000 0.810 517 A HN 0.807 nan 8.150 nan 0.000 0.448 518 E N -0.109 120.104 120.200 0.022 0.000 2.058 518 E HA -0.246 4.105 4.350 0.001 0.000 0.194 518 E C 1.310 177.987 176.600 0.129 0.000 0.997 518 E CA 1.369 57.810 56.400 0.069 0.000 0.801 518 E CB -0.145 29.574 29.700 0.033 0.000 0.746 518 E HN 0.557 nan 8.360 nan 0.000 0.450 519 D N 0.109 120.581 120.400 0.120 0.000 2.116 519 D HA -0.190 4.451 4.640 0.001 0.000 0.193 519 D C 1.997 178.393 176.300 0.160 0.000 0.998 519 D CA 1.554 55.672 54.000 0.197 0.000 0.836 519 D CB -0.520 40.469 40.800 0.314 0.000 0.951 519 D HN 0.234 nan 8.370 nan 0.000 0.449 520 V N 0.147 120.004 119.914 -0.095 0.000 2.548 520 V HA -0.114 4.007 4.120 0.001 0.000 0.249 520 V C 1.962 177.935 176.094 -0.201 0.000 1.055 520 V CA 1.272 63.269 62.300 -0.506 0.000 1.065 520 V CB -0.444 30.750 31.823 -1.049 0.000 0.681 520 V HN 0.367 nan 8.190 nan 0.000 0.462 521 W N 1.081 122.291 121.300 -0.150 0.000 2.358 521 W HA -0.212 4.449 4.660 0.001 0.000 0.303 521 W C 2.195 178.726 176.519 0.020 0.000 1.208 521 W CA 1.945 59.281 57.345 -0.016 0.000 1.274 521 W CB -0.351 29.103 29.460 -0.009 0.000 1.138 521 W HN 0.398 nan 8.180 nan 0.000 0.515 522 N N 0.675 119.420 118.700 0.075 0.000 2.166 522 N HA -0.214 4.527 4.740 0.001 0.000 0.186 522 N C 1.669 177.186 175.510 0.011 0.000 1.019 522 N CA 1.790 54.832 53.050 -0.013 0.000 0.856 522 N CB -0.748 37.776 38.487 0.062 0.000 0.993 522 N HN 0.433 nan 8.380 nan 0.000 0.426 523 E N -0.115 120.132 120.200 0.078 0.000 2.072 523 E HA -0.158 4.193 4.350 0.001 0.000 0.191 523 E C 1.870 178.524 176.600 0.092 0.000 0.985 523 E CA 0.562 57.062 56.400 0.165 0.000 0.801 523 E CB -0.172 29.739 29.700 0.351 0.000 0.750 523 E HN 0.509 nan 8.360 nan 0.000 0.452 524 W N 1.670 122.718 121.300 -0.419 0.000 2.363 524 W HA -0.201 4.460 4.660 0.001 0.000 0.296 524 W C 1.939 178.206 176.519 -0.421 0.000 1.212 524 W CA 0.730 57.790 57.345 -0.475 0.000 1.260 524 W CB -0.020 28.986 29.460 -0.756 0.000 1.131 524 W HN 0.026 nan 8.180 nan 0.000 0.530 525 R N 0.095 120.210 120.500 -0.642 0.000 2.113 525 R HA -0.291 4.050 4.340 0.001 0.000 0.244 525 R C 2.420 178.553 176.300 -0.279 0.000 1.142 525 R CA 2.285 57.912 56.100 -0.788 0.000 0.953 525 R CB -1.092 28.905 30.300 -0.505 0.000 0.860 525 R HN 0.343 nan 8.270 nan 0.000 0.438 526 M N 0.782 120.430 119.600 0.080 0.000 2.065 526 M HA -0.167 4.314 4.480 0.001 0.000 0.259 526 M C 2.076 178.316 176.300 -0.100 0.000 1.069 526 M CA 1.797 57.143 55.300 0.076 0.000 1.110 526 M CB -0.099 32.606 32.600 0.174 0.000 1.328 526 M HN 0.006 nan 8.290 nan 0.000 0.405 527 V N 1.108 121.025 119.914 0.003 0.000 2.453 527 V HA -0.261 3.860 4.120 0.001 0.000 0.252 527 V C 2.624 178.646 176.094 -0.120 0.000 1.068 527 V CA 2.095 64.423 62.300 0.046 0.000 1.070 527 V CB -1.127 30.926 31.823 0.384 0.000 0.664 527 V HN 0.785 nan 8.190 nan 0.000 0.461 528 S N -1.027 114.423 115.700 -0.417 0.000 2.436 528 S HA -0.078 4.393 4.470 0.001 0.000 0.228 528 S C 1.154 175.512 174.600 -0.403 0.000 1.014 528 S CA 0.249 58.099 58.200 -0.583 0.000 0.950 528 S CB -0.267 62.141 63.200 -1.320 0.000 0.784 528 S HN 0.588 nan 8.310 nan 0.000 0.504 529 K N 1.487 121.661 120.400 -0.376 0.000 2.491 529 K HA 0.254 4.575 4.320 0.001 0.000 0.279 529 K C 1.136 177.575 176.600 -0.269 0.000 1.026 529 K CA 0.952 57.033 56.287 -0.344 0.000 1.070 529 K CB -0.393 31.799 32.500 -0.514 0.000 0.887 529 K HN 0.525 nan 8.250 nan 0.000 0.481 530 G N 2.508 111.176 108.800 -0.221 0.000 2.162 530 G HA2 -0.304 3.657 3.960 0.001 0.000 0.260 530 G HA3 -0.304 3.657 3.960 0.001 0.000 0.260 530 G C 0.210 175.039 174.900 -0.119 0.000 0.976 530 G CA 0.811 45.813 45.100 -0.164 0.000 0.655 530 G HN 0.819 nan 8.290 nan 0.000 0.533 531 T N -3.263 111.225 114.554 -0.110 0.000 2.884 531 T HA 0.604 4.955 4.350 0.001 0.000 0.277 531 T C 1.564 176.259 174.700 -0.007 0.000 0.976 531 T CA 0.878 62.956 62.100 -0.037 0.000 0.956 531 T CB 1.349 70.215 68.868 -0.002 0.000 1.113 531 T HN 0.936 nan 8.240 nan 0.000 0.554 532 T N -1.972 112.622 114.554 0.067 0.000 3.252 532 T HA 0.135 4.486 4.350 0.001 0.000 0.250 532 T C 0.336 175.030 174.700 -0.010 0.000 1.123 532 T CA 0.134 62.251 62.100 0.029 0.000 1.006 532 T CB -0.925 68.000 68.868 0.094 0.000 0.992 532 T HN 0.677 nan 8.240 nan 0.000 0.547 533 Y N 0.546 120.785 120.300 -0.102 0.000 2.584 533 Y HA 0.323 4.874 4.550 0.002 0.000 0.254 533 Y C 0.822 176.559 175.900 -0.271 0.000 1.177 533 Y CA -1.403 56.481 58.100 -0.359 0.000 1.216 533 Y CB 0.328 38.490 38.460 -0.496 0.000 1.172 533 Y HN 0.217 nan 8.280 nan 0.000 0.529 534 D N 1.429 121.802 120.400 -0.045 0.000 2.472 534 D HA -0.107 4.534 4.640 0.001 0.000 0.248 534 D C -0.039 176.230 176.300 -0.051 0.000 1.174 534 D CA 0.485 54.389 54.000 -0.160 0.000 0.883 534 D CB 0.327 41.052 40.800 -0.125 0.000 1.149 534 D HN 0.372 nan 8.370 nan 0.000 0.488 535 F N 2.950 122.811 119.950 -0.148 0.000 2.814 535 F HA 0.274 4.801 4.527 0.001 0.000 0.326 535 F C 1.286 177.064 175.800 -0.037 0.000 1.159 535 F CA -1.261 56.696 58.000 -0.072 0.000 1.234 535 F CB -0.646 38.310 39.000 -0.073 0.000 1.016 535 F HN 0.388 nan 8.300 nan 0.000 0.510 536 W N 2.162 123.263 121.300 -0.332 0.000 2.331 536 W HA -0.136 4.525 4.660 0.001 0.000 0.291 536 W C 1.499 177.988 176.519 -0.051 0.000 1.214 536 W CA 2.040 59.233 57.345 -0.254 0.000 1.228 536 W CB -0.241 29.079 29.460 -0.232 0.000 1.135 536 W HN 0.372 nan 8.180 nan 0.000 0.537 537 G N 0.478 109.326 108.800 0.080 0.000 2.776 537 G HA2 -0.073 3.888 3.960 0.001 0.000 0.209 537 G HA3 -0.073 3.888 3.960 0.001 0.000 0.209 537 G C 0.764 175.706 174.900 0.071 0.000 1.145 537 G CA -0.190 44.939 45.100 0.048 0.000 0.791 537 G HN 0.143 nan 8.290 nan 0.000 0.530 538 M N 3.091 122.788 119.600 0.163 0.000 3.347 538 M HA 0.171 4.652 4.480 0.001 0.000 0.260 538 M C 0.376 176.884 176.300 0.347 0.000 1.362 538 M CA -0.316 55.168 55.300 0.306 0.000 1.497 538 M CB 0.302 33.223 32.600 0.534 0.000 1.080 538 M HN 0.097 nan 8.290 nan 0.000 0.592 539 T N -2.018 112.612 114.554 0.127 0.000 2.898 539 T HA 0.274 4.625 4.350 0.001 0.000 0.301 539 T C 1.391 176.158 174.700 0.112 0.000 1.049 539 T CA -0.667 61.484 62.100 0.085 0.000 1.095 539 T CB 1.486 70.334 68.868 -0.035 0.000 0.976 539 T HN 0.491 nan 8.240 nan 0.000 0.539 540 R N 1.063 121.612 120.500 0.082 0.000 2.117 540 R HA -0.131 4.209 4.340 0.001 0.000 0.243 540 R C 2.283 178.558 176.300 -0.041 0.000 1.143 540 R CA 1.733 57.808 56.100 -0.042 0.000 0.968 540 R CB -0.501 29.767 30.300 -0.053 0.000 0.863 540 R HN 0.833 nan 8.270 nan 0.000 0.444 541 E N 0.273 120.462 120.200 -0.017 0.000 2.033 541 E HA -0.214 4.137 4.350 0.001 0.000 0.199 541 E C 2.193 178.786 176.600 -0.012 0.000 1.011 541 E CA 1.389 57.779 56.400 -0.018 0.000 0.815 541 E CB -0.057 29.635 29.700 -0.012 0.000 0.755 541 E HN 0.310 nan 8.360 nan 0.000 0.451 542 R N 0.032 120.535 120.500 0.005 0.000 2.083 542 R HA -0.155 4.186 4.340 0.001 0.000 0.237 542 R C 2.300 178.605 176.300 0.008 0.000 1.137 542 R CA 0.949 57.059 56.100 0.018 0.000 0.951 542 R CB -0.311 30.017 30.300 0.045 0.000 0.851 542 R HN 0.125 nan 8.270 nan 0.000 0.434 543 L N 0.932 122.151 121.223 -0.006 0.000 2.265 543 L HA -0.109 4.232 4.340 0.001 0.000 0.215 543 L C 2.147 178.976 176.870 -0.069 0.000 1.117 543 L CA 1.524 56.336 54.840 -0.047 0.000 0.782 543 L CB -0.620 41.360 42.059 -0.132 0.000 0.914 543 L HN 0.109 nan 8.230 nan 0.000 0.441 544 R N -0.775 119.686 120.500 -0.065 0.000 2.062 544 R HA -0.131 4.210 4.340 0.001 0.000 0.226 544 R C 2.201 178.480 176.300 -0.036 0.000 1.125 544 R CA 1.088 57.152 56.100 -0.060 0.000 0.966 544 R CB -0.176 30.090 30.300 -0.057 0.000 0.861 544 R HN 0.166 nan 8.270 nan 0.000 0.433 545 K N 0.864 121.250 120.400 -0.023 0.000 2.001 545 K HA -0.077 4.243 4.320 0.001 0.000 0.208 545 K C 0.374 176.969 176.600 -0.009 0.000 1.048 545 K CA 1.098 57.377 56.287 -0.014 0.000 0.932 545 K CB 0.173 32.669 32.500 -0.007 0.000 0.715 545 K HN -0.022 nan 8.250 nan 0.000 0.437 546 E N 0.566 120.766 120.200 -0.001 0.000 2.392 546 E HA 0.030 4.381 4.350 0.001 0.000 0.259 546 E C -0.431 176.174 176.600 0.008 0.000 1.108 546 E CA 0.131 56.537 56.400 0.010 0.000 0.916 546 E CB 1.520 31.236 29.700 0.027 0.000 0.989 546 E HN 0.022 nan 8.360 nan 0.000 0.432 547 S N 0.774 116.485 115.700 0.018 0.000 2.979 547 S HA 0.438 4.908 4.470 0.001 0.000 0.210 547 S C 0.178 174.815 174.600 0.061 0.000 1.364 547 S CA 0.095 58.311 58.200 0.026 0.000 1.208 547 S CB -0.149 63.058 63.200 0.013 0.000 1.167 547 S HN 0.694 nan 8.310 nan 0.000 0.519 548 G N 1.387 110.227 108.800 0.067 0.000 2.788 548 G HA2 -0.089 3.872 3.960 0.001 0.000 0.686 548 G HA3 -0.089 3.872 3.960 0.001 0.000 0.686 548 G C -1.252 173.704 174.900 0.095 0.000 1.147 548 G CA -1.133 44.030 45.100 0.105 0.000 0.755 548 G HN 0.444 nan 8.290 nan 0.000 0.634 549 L N 1.352 122.646 121.223 0.119 0.000 2.341 549 L HA 0.727 5.068 4.340 0.001 0.000 0.267 549 L C 0.488 177.390 176.870 0.054 0.000 1.009 549 L CA -1.192 53.704 54.840 0.094 0.000 0.819 549 L CB 2.219 44.352 42.059 0.122 0.000 1.323 549 L HN 0.542 nan 8.230 nan 0.000 0.425 550 I N 1.997 122.558 120.570 -0.015 0.000 2.339 550 I HA 0.228 4.399 4.170 0.001 0.000 0.290 550 I C -0.315 175.723 176.117 -0.132 0.000 0.994 550 I CA -0.563 60.645 61.300 -0.153 0.000 1.191 550 I CB 0.913 38.793 38.000 -0.200 0.000 1.343 550 I HN 0.598 nan 8.210 nan 0.000 0.458 551 W N 6.398 127.539 121.300 -0.265 0.000 2.215 551 W HA 0.497 5.158 4.660 0.002 0.000 0.342 551 W C -2.917 173.494 176.519 -0.180 0.000 1.237 551 W CA -2.666 54.556 57.345 -0.206 0.000 1.283 551 W CB -0.483 28.809 29.460 -0.279 0.000 1.131 551 W HN 0.185 nan 8.180 nan 0.000 0.606 552 P HA 0.002 nan 4.420 nan 0.000 0.265 552 P C -0.432 176.921 177.300 0.088 0.000 1.193 552 P CA 0.262 63.507 63.100 0.243 0.000 0.765 552 P CB 0.461 32.221 31.700 0.099 0.000 0.823 553 C N 6.467 125.818 119.300 0.085 0.000 3.452 553 C HA 0.371 4.832 4.460 0.001 0.000 0.251 553 C C -2.006 172.998 174.990 0.023 0.000 1.160 553 C CA -1.674 57.384 59.018 0.067 0.000 1.328 553 C CB 0.106 27.972 27.740 0.209 0.000 1.819 553 C HN 0.488 nan 8.230 nan 0.000 0.543 554 P HA 0.106 nan 4.420 nan 0.000 0.245 554 P C 0.276 177.652 177.300 0.126 0.000 1.206 554 P CA 0.960 64.048 63.100 -0.021 0.000 0.781 554 P CB 0.203 31.831 31.700 -0.120 0.000 0.994 555 S N -2.430 113.355 115.700 0.142 0.000 2.656 555 S HA 0.334 4.805 4.470 0.001 0.000 0.273 555 S C 0.633 175.328 174.600 0.158 0.000 1.168 555 S CA -0.709 57.607 58.200 0.192 0.000 0.817 555 S CB 1.408 64.708 63.200 0.166 0.000 1.146 555 S HN -0.180 nan 8.310 nan 0.000 0.475 556 E N 0.073 120.342 120.200 0.116 0.000 2.358 556 E HA -0.072 4.279 4.350 0.001 0.000 0.195 556 E C 0.282 176.930 176.600 0.080 0.000 1.010 556 E CA 1.304 57.748 56.400 0.072 0.000 0.856 556 E CB 0.022 29.746 29.700 0.040 0.000 0.795 556 E HN 0.698 nan 8.360 nan 0.000 0.504 557 D N -1.333 119.126 120.400 0.098 0.000 2.395 557 D HA -0.062 4.579 4.640 0.001 0.000 0.213 557 D C 0.188 176.538 176.300 0.084 0.000 1.110 557 D CA -0.165 53.879 54.000 0.073 0.000 0.835 557 D CB -0.336 40.498 40.800 0.056 0.000 0.965 557 D HN 0.094 nan 8.370 nan 0.000 0.505 558 H N 2.008 121.104 119.070 0.044 0.000 2.646 558 H HA 0.137 4.694 4.556 0.001 0.000 0.325 558 H C -1.505 173.845 175.328 0.037 0.000 1.075 558 H CA -1.173 54.900 56.048 0.042 0.000 1.421 558 H CB 2.052 31.846 29.762 0.054 0.000 1.461 558 H HN -0.107 nan 8.280 nan 0.000 0.525 559 P HA 0.100 nan 4.420 nan 0.000 0.241 559 P C 0.421 177.727 177.300 0.010 0.000 1.191 559 P CA 0.850 63.885 63.100 -0.109 0.000 0.771 559 P CB 0.730 32.329 31.700 -0.167 0.000 0.929 560 G N -0.814 108.103 108.800 0.194 0.000 2.631 560 G HA2 -0.076 3.885 3.960 0.001 0.000 0.504 560 G HA3 -0.076 3.885 3.960 0.001 0.000 0.504 560 G C -1.108 173.894 174.900 0.171 0.000 1.306 560 G CA -0.635 44.609 45.100 0.241 0.000 0.897 560 G HN 0.140 nan 8.290 nan 0.000 0.520 561 T N 0.753 115.341 114.554 0.057 0.000 2.840 561 T HA 0.634 4.984 4.350 0.001 0.000 0.287 561 T C 1.230 175.854 174.700 -0.127 0.000 0.991 561 T CA 0.254 62.346 62.100 -0.012 0.000 0.964 561 T CB 1.650 70.491 68.868 -0.045 0.000 0.954 561 T HN 0.941 nan 8.240 nan 0.000 0.438 562 S N 2.985 118.624 115.700 -0.101 0.000 2.327 562 S HA 0.181 4.652 4.470 0.001 0.000 0.213 562 S C 0.674 175.175 174.600 -0.165 0.000 1.032 562 S CA 0.183 58.306 58.200 -0.129 0.000 0.960 562 S CB -0.173 62.977 63.200 -0.082 0.000 0.900 562 S HN 0.532 nan 8.310 nan 0.000 0.469 563 L N 2.707 123.853 121.223 -0.129 0.000 2.272 563 L HA 0.418 4.759 4.340 0.001 0.000 0.284 563 L C 0.029 176.775 176.870 -0.207 0.000 1.045 563 L CA -0.411 54.338 54.840 -0.150 0.000 0.842 563 L CB 0.769 42.787 42.059 -0.069 0.000 1.224 563 L HN 0.033 nan 8.230 nan 0.000 0.430 564 R N 2.604 122.866 120.500 -0.398 0.000 2.594 564 R HA 0.174 4.515 4.340 0.001 0.000 0.272 564 R C -0.383 175.575 176.300 -0.571 0.000 1.074 564 R CA -0.112 55.622 56.100 -0.610 0.000 1.105 564 R CB 0.279 29.932 30.300 -1.080 0.000 1.008 564 R HN 0.489 nan 8.270 nan 0.000 0.472 565 Y N -2.249 117.971 120.300 -0.133 0.000 4.936 565 Y HA -0.217 4.334 4.550 0.001 0.000 0.266 565 Y C -0.420 175.432 175.900 -0.080 0.000 0.909 565 Y CA -0.268 57.672 58.100 -0.268 0.000 1.828 565 Y CB -2.078 36.066 38.460 -0.526 0.000 1.283 565 Y HN 0.280 nan 8.280 nan 0.000 0.511 566 V N 1.803 121.803 119.914 0.144 0.000 2.370 566 V HA 0.316 4.437 4.120 0.001 0.000 0.283 566 V C 0.907 177.100 176.094 0.164 0.000 1.023 566 V CA -1.174 61.263 62.300 0.228 0.000 0.857 566 V CB 1.667 33.612 31.823 0.203 0.000 0.985 566 V HN 0.200 nan 8.190 nan 0.000 0.443 567 R N 3.445 124.034 120.500 0.148 0.000 2.486 567 R HA 0.238 4.579 4.340 0.001 0.000 0.303 567 R C 1.250 177.599 176.300 0.081 0.000 0.958 567 R CA 1.399 57.567 56.100 0.113 0.000 1.077 567 R CB -0.163 30.191 30.300 0.090 0.000 0.921 567 R HN 1.185 nan 8.270 nan 0.000 0.406 568 G N 2.996 111.846 108.800 0.083 0.000 2.141 568 G HA2 -0.226 3.735 3.960 0.001 0.000 0.242 568 G HA3 -0.226 3.735 3.960 0.001 0.000 0.242 568 G C 0.388 175.324 174.900 0.060 0.000 0.982 568 G CA 0.312 45.450 45.100 0.063 0.000 0.662 568 G HN 0.643 nan 8.290 nan 0.000 0.527 569 Q N -0.810 119.033 119.800 0.072 0.000 2.123 569 Q HA 0.154 4.494 4.340 0.001 0.000 0.244 569 Q C -0.354 175.688 176.000 0.069 0.000 0.769 569 Q CA 0.361 56.197 55.803 0.056 0.000 0.938 569 Q CB 1.239 29.999 28.738 0.038 0.000 1.170 569 Q HN 0.520 nan 8.270 nan 0.000 0.469 570 D N 1.908 122.360 120.400 0.086 0.000 2.471 570 D HA 0.197 4.838 4.640 0.001 0.000 0.245 570 D C -1.873 174.481 176.300 0.090 0.000 1.116 570 D CA -2.004 52.044 54.000 0.080 0.000 0.853 570 D CB 2.115 42.961 40.800 0.076 0.000 1.123 570 D HN -0.203 nan 8.370 nan 0.000 0.540 571 P HA -0.097 nan 4.420 nan 0.000 0.221 571 P C 1.238 178.525 177.300 -0.020 0.000 1.145 571 P CA 0.522 63.635 63.100 0.021 0.000 0.795 571 P CB 0.153 31.783 31.700 -0.117 0.000 0.775 572 C N -0.625 118.642 119.300 -0.054 0.000 2.437 572 C HA 0.043 4.504 4.460 0.001 0.000 0.283 572 C C 1.362 176.260 174.990 -0.153 0.000 1.424 572 C CA 0.145 59.047 59.018 -0.193 0.000 1.782 572 C CB -1.108 26.387 27.740 -0.407 0.000 1.833 572 C HN 0.038 nan 8.230 nan 0.000 0.532 573 V N 2.854 122.809 119.914 0.067 0.000 2.364 573 V HA 0.223 4.343 4.120 0.001 0.000 0.272 573 V C -2.173 174.005 176.094 0.140 0.000 1.036 573 V CA -1.331 61.091 62.300 0.203 0.000 0.880 573 V CB 0.578 32.565 31.823 0.273 0.000 0.991 573 V HN 0.168 nan 8.190 nan 0.000 0.460 574 P HA 0.025 nan 4.420 nan 0.000 0.260 574 P C 0.890 178.258 177.300 0.113 0.000 1.185 574 P CA 0.312 63.481 63.100 0.114 0.000 0.763 574 P CB 0.713 32.491 31.700 0.129 0.000 0.776 575 A N 4.535 127.403 122.820 0.079 0.000 1.940 575 A HA -0.237 4.084 4.320 0.001 0.000 0.221 575 A C 1.332 178.952 177.584 0.059 0.000 1.190 575 A CA 2.271 54.347 52.037 0.065 0.000 0.647 575 A CB -1.070 17.957 19.000 0.046 0.000 0.821 575 A HN 0.638 nan 8.150 nan 0.000 0.457 576 D N -1.631 118.800 120.400 0.051 0.000 2.538 576 D HA 0.140 4.781 4.640 0.001 0.000 0.234 576 D C 0.234 176.547 176.300 0.022 0.000 1.191 576 D CA -0.452 53.563 54.000 0.025 0.000 0.828 576 D CB -1.185 39.617 40.800 0.004 0.000 0.981 576 D HN 0.563 nan 8.370 nan 0.000 0.490 577 H N 1.244 120.286 119.070 -0.047 0.000 2.886 577 H HA 0.122 4.679 4.556 0.002 0.000 0.329 577 H C -1.251 174.016 175.328 -0.101 0.000 1.044 577 H CA -1.184 54.795 56.048 -0.115 0.000 1.456 577 H CB 1.217 30.894 29.762 -0.141 0.000 1.464 577 H HN -0.159 nan 8.280 nan 0.000 0.573 578 P HA -0.085 nan 4.420 nan 0.000 0.219 578 P C -0.753 176.420 177.300 -0.212 0.000 1.146 578 P CA 1.143 64.047 63.100 -0.326 0.000 0.808 578 P CB 0.410 31.893 31.700 -0.361 0.000 0.779 579 D N -2.021 118.272 120.400 -0.178 0.000 2.423 579 D HA 0.214 4.855 4.640 0.001 0.000 0.235 579 D C 1.291 177.662 176.300 0.120 0.000 1.011 579 D CA -0.887 53.131 54.000 0.030 0.000 0.963 579 D CB 0.977 41.856 40.800 0.132 0.000 1.349 579 D HN -0.116 nan 8.370 nan 0.000 0.508 580 R N -0.019 120.441 120.500 -0.067 0.000 2.148 580 R HA 0.019 4.360 4.340 0.001 0.000 0.227 580 R C -0.369 175.680 176.300 -0.418 0.000 1.103 580 R CA 0.866 56.767 56.100 -0.331 0.000 0.983 580 R CB -0.388 29.543 30.300 -0.616 0.000 0.874 580 R HN 0.264 nan 8.270 nan 0.000 0.451 581 F N -0.328 119.646 119.950 0.039 0.000 2.579 581 F HA 0.555 5.083 4.527 0.001 0.000 0.324 581 F C -0.597 175.222 175.800 0.033 0.000 1.058 581 F CA -2.120 55.769 58.000 -0.184 0.000 0.944 581 F CB 1.417 39.999 39.000 -0.696 0.000 1.245 581 F HN -0.192 nan 8.300 nan 0.000 0.477 582 F N 2.499 122.324 119.950 -0.209 0.000 3.287 582 F HA 0.381 4.909 4.527 0.002 0.000 0.379 582 F C -1.773 173.781 175.800 -0.411 0.000 1.268 582 F CA -2.030 55.851 58.000 -0.197 0.000 1.220 582 F CB 0.294 39.099 39.000 -0.326 0.000 1.687 582 F HN 0.262 nan 8.300 nan 0.000 0.648 583 F N 7.012 126.934 119.950 -0.048 0.000 2.659 583 F HA 0.139 4.667 4.527 0.001 0.000 0.360 583 F C 0.948 176.370 175.800 -0.630 0.000 1.218 583 F CA -0.460 57.194 58.000 -0.575 0.000 1.317 583 F CB -0.637 38.190 39.000 -0.289 0.000 1.697 583 F HN 0.424 nan 8.300 nan 0.000 0.637 584 Y N -1.588 118.276 120.300 -0.728 0.000 2.680 584 Y HA 0.174 4.725 4.550 0.001 0.000 0.303 584 Y C 1.699 177.418 175.900 -0.302 0.000 1.166 584 Y CA -0.152 57.403 58.100 -0.909 0.000 1.344 584 Y CB -1.252 36.380 38.460 -1.379 0.000 1.002 584 Y HN 0.314 nan 8.280 nan 0.000 0.537 585 G N 0.265 108.997 108.800 -0.113 0.000 2.712 585 G HA2 -0.003 3.958 3.960 0.001 0.000 0.212 585 G HA3 -0.003 3.958 3.960 0.001 0.000 0.212 585 G C 0.637 175.576 174.900 0.065 0.000 1.142 585 G CA -0.156 44.980 45.100 0.059 0.000 0.789 585 G HN 0.040 nan 8.290 nan 0.000 0.535 586 K N 0.296 120.716 120.400 0.034 0.000 2.164 586 K HA 0.307 4.628 4.320 0.001 0.000 0.258 586 K C -1.788 174.879 176.600 0.111 0.000 0.951 586 K CA -2.490 53.836 56.287 0.066 0.000 0.844 586 K CB 2.333 34.851 32.500 0.030 0.000 1.099 586 K HN -0.161 nan 8.250 nan 0.000 0.435 587 P HA -0.133 nan 4.420 nan 0.000 0.225 587 P C 0.081 177.486 177.300 0.175 0.000 1.148 587 P CA 1.187 64.369 63.100 0.138 0.000 0.779 587 P CB 0.308 32.069 31.700 0.100 0.000 0.780 588 D N -2.230 118.271 120.400 0.169 0.000 2.440 588 D HA 0.168 4.809 4.640 0.001 0.000 0.216 588 D C 1.313 177.781 176.300 0.280 0.000 1.150 588 D CA -0.035 54.075 54.000 0.184 0.000 0.832 588 D CB -0.698 40.165 40.800 0.104 0.000 0.992 588 D HN 0.159 nan 8.370 nan 0.000 0.502 589 G N 0.904 109.940 108.800 0.393 0.000 2.155 589 G HA2 -0.330 3.631 3.960 0.001 0.000 0.257 589 G HA3 -0.330 3.631 3.960 0.001 0.000 0.257 589 G C 0.084 175.272 174.900 0.479 0.000 0.983 589 G CA 0.001 45.445 45.100 0.573 0.000 0.676 589 G HN 0.454 nan 8.290 nan 0.000 0.528 590 R N 0.129 120.799 120.500 0.284 0.000 2.445 590 R HA 0.700 5.041 4.340 0.001 0.000 0.308 590 R C 0.644 176.930 176.300 -0.022 0.000 0.961 590 R CA -0.059 56.160 56.100 0.198 0.000 0.862 590 R CB 1.605 31.939 30.300 0.056 0.000 1.144 590 R HN 0.390 nan 8.270 nan 0.000 0.447 591 A N 2.329 124.980 122.820 -0.282 0.000 2.310 591 A HA 0.476 4.796 4.320 0.001 0.000 0.260 591 A C -0.280 176.982 177.584 -0.538 0.000 1.112 591 A CA -0.298 51.334 52.037 -0.675 0.000 0.804 591 A CB 0.713 18.945 19.000 -1.280 0.000 1.081 591 A HN 0.425 nan 8.150 nan 0.000 0.499 592 V N 0.710 120.252 119.914 -0.621 0.000 2.623 592 V HA 0.307 4.428 4.120 0.001 0.000 0.304 592 V C -0.526 175.175 176.094 -0.656 0.000 1.054 592 V CA -0.171 61.743 62.300 -0.644 0.000 0.882 592 V CB 1.573 32.999 31.823 -0.661 0.000 1.002 592 V HN 0.703 nan 8.190 nan 0.000 0.424 593 I N 3.837 123.941 120.570 -0.776 0.000 2.365 593 I HA 0.341 4.512 4.170 0.001 0.000 0.291 593 I C -0.894 174.850 176.117 -0.622 0.000 1.004 593 I CA -0.051 60.852 61.300 -0.661 0.000 1.311 593 I CB 1.183 38.598 38.000 -0.975 0.000 1.401 593 I HN 0.583 nan 8.210 nan 0.000 0.491 594 W N 6.314 127.398 121.300 -0.359 0.000 2.587 594 W HA 0.450 5.111 4.660 0.002 0.000 0.324 594 W C -0.028 176.281 176.519 -0.351 0.000 1.040 594 W CA -0.631 56.520 57.345 -0.325 0.000 1.222 594 W CB 1.351 30.642 29.460 -0.281 0.000 1.381 594 W HN 0.301 nan 8.180 nan 0.000 0.483 595 M N 4.786 124.235 119.600 -0.251 0.000 3.690 595 M HA 0.186 4.666 4.480 0.001 0.000 0.209 595 M C 0.055 176.070 176.300 -0.477 0.000 1.403 595 M CA -0.118 54.726 55.300 -0.761 0.000 1.621 595 M CB -0.344 31.448 32.600 -1.347 0.000 1.056 595 M HN 0.026 nan 8.290 nan 0.000 0.593 596 R N 1.201 121.606 120.500 -0.159 0.000 2.404 596 R HA 0.223 4.564 4.340 0.001 0.000 0.315 596 R C -2.580 173.861 176.300 0.235 0.000 1.032 596 R CA -2.027 53.904 56.100 -0.281 0.000 0.992 596 R CB -0.693 29.237 30.300 -0.615 0.000 0.959 596 R HN 0.171 nan 8.270 nan 0.000 0.428 597 P HA -0.016 nan 4.420 nan 0.000 0.264 597 P C -0.584 176.941 177.300 0.375 0.000 1.193 597 P CA 0.157 63.499 63.100 0.404 0.000 0.763 597 P CB 0.620 32.494 31.700 0.289 0.000 0.810 598 A N 3.805 126.883 122.820 0.430 0.000 2.350 598 A HA 0.293 4.614 4.320 0.001 0.000 0.293 598 A C 0.563 178.285 177.584 0.230 0.000 1.231 598 A CA 0.281 52.500 52.037 0.303 0.000 0.883 598 A CB -0.259 18.941 19.000 0.333 0.000 1.133 598 A HN 0.396 nan 8.150 nan 0.000 0.533 599 K N 1.532 122.035 120.400 0.172 0.000 3.169 599 K HA 0.797 5.118 4.320 0.001 0.000 0.251 599 K C 1.017 177.663 176.600 0.076 0.000 0.992 599 K CA 0.590 56.948 56.287 0.119 0.000 1.643 599 K CB 0.413 32.979 32.500 0.110 0.000 2.979 599 K HN 0.780 nan 8.250 nan 0.000 0.905 600 G N -0.969 107.864 108.800 0.054 0.000 2.896 600 G HA2 0.589 4.550 3.960 0.001 0.000 0.247 600 G HA3 0.589 4.550 3.960 0.001 0.000 0.247 600 G C -1.471 173.446 174.900 0.027 0.000 1.187 600 G CA -0.193 44.931 45.100 0.041 0.000 0.837 600 G HN 0.549 nan 8.290 nan 0.000 0.559 601 A N -0.943 121.909 122.820 0.054 0.000 2.259 601 A HA 0.719 5.040 4.320 0.001 0.000 0.278 601 A C 1.545 179.144 177.584 0.026 0.000 1.107 601 A CA 0.871 52.935 52.037 0.046 0.000 0.828 601 A CB 0.729 19.794 19.000 0.107 0.000 1.111 601 A HN 1.786 nan 8.150 nan 0.000 0.498 602 A N -0.986 121.837 122.820 0.005 0.000 1.975 602 A HA 0.189 4.510 4.320 0.001 0.000 0.215 602 A C 0.914 178.490 177.584 -0.012 0.000 1.170 602 A CA 1.216 53.244 52.037 -0.015 0.000 0.656 602 A CB -0.145 18.832 19.000 -0.037 0.000 0.821 602 A HN 0.778 nan 8.150 nan 0.000 0.449 603 E N 1.147 121.345 120.200 -0.004 0.000 2.149 603 E HA 0.267 4.618 4.350 0.001 0.000 0.255 603 E C -1.125 175.480 176.600 0.007 0.000 0.888 603 E CA -0.374 56.013 56.400 -0.021 0.000 0.742 603 E CB 0.515 30.180 29.700 -0.059 0.000 1.164 603 E HN 0.360 nan 8.360 nan 0.000 0.422 604 E N 3.871 124.072 120.200 0.001 0.000 2.214 604 E HA 0.331 4.682 4.350 0.001 0.000 0.274 604 E C -2.311 174.235 176.600 -0.090 0.000 0.977 604 E CA -2.167 54.230 56.400 -0.004 0.000 0.827 604 E CB 1.419 31.141 29.700 0.036 0.000 1.130 604 E HN 0.415 nan 8.360 nan 0.000 0.394 605 P HA -0.056 nan 4.420 nan 0.000 0.266 605 P C -0.868 176.371 177.300 -0.102 0.000 1.186 605 P CA 0.499 63.467 63.100 -0.221 0.000 0.767 605 P CB 0.452 31.880 31.700 -0.453 0.000 0.820 606 D N -0.164 120.211 120.400 -0.043 0.000 2.643 606 D HA 0.422 5.063 4.640 0.001 0.000 0.283 606 D C 0.739 177.023 176.300 -0.025 0.000 1.242 606 D CA -0.740 53.246 54.000 -0.023 0.000 0.863 606 D CB 0.051 40.853 40.800 0.003 0.000 1.382 606 D HN 0.161 nan 8.370 nan 0.000 0.444 607 A N 0.000 122.801 122.820 -0.032 0.000 1.940 607 A HA -0.322 3.999 4.320 0.001 0.000 0.221 607 A C 1.846 179.378 177.584 -0.087 0.000 1.190 607 A CA 2.454 54.460 52.037 -0.050 0.000 0.647 607 A CB -1.059 17.915 19.000 -0.043 0.000 0.821 607 A HN 0.738 nan 8.150 nan 0.000 0.457 608 E N -2.094 118.053 120.200 -0.088 0.000 2.106 608 E HA -0.145 4.206 4.350 0.001 0.000 0.192 608 E C -0.566 175.764 176.600 -0.451 0.000 0.984 608 E CA 0.747 57.015 56.400 -0.219 0.000 0.806 608 E CB 0.007 29.631 29.700 -0.126 0.000 0.750 608 E HN 0.703 nan 8.360 nan 0.000 0.458 609 Y N -0.741 119.515 120.300 -0.073 0.000 2.594 609 Y HA 0.260 4.811 4.550 0.002 0.000 0.338 609 Y C -2.098 173.733 175.900 -0.114 0.000 1.019 609 Y CA -2.060 55.987 58.100 -0.088 0.000 1.306 609 Y CB 1.844 40.249 38.460 -0.093 0.000 1.094 609 Y HN 0.066 nan 8.280 nan 0.000 0.534 610 P HA 0.055 nan 4.420 nan 0.000 0.245 610 P C -0.244 176.989 177.300 -0.112 0.000 1.206 610 P CA 0.794 63.852 63.100 -0.069 0.000 0.781 610 P CB 0.852 32.516 31.700 -0.059 0.000 0.994 611 L N -1.148 120.022 121.223 -0.089 0.000 2.342 611 L HA 0.400 4.741 4.340 0.001 0.000 0.271 611 L C -0.089 176.704 176.870 -0.129 0.000 1.008 611 L CA -1.296 53.496 54.840 -0.081 0.000 0.818 611 L CB 1.355 43.416 42.059 0.002 0.000 1.296 611 L HN -0.173 nan 8.230 nan 0.000 0.427 612 Y N 2.544 122.868 120.300 0.040 0.000 2.377 612 Y HA 0.265 4.816 4.550 0.001 0.000 0.330 612 Y C 0.035 175.961 175.900 0.043 0.000 1.108 612 Y CA -0.194 57.931 58.100 0.043 0.000 1.308 612 Y CB 1.068 39.562 38.460 0.056 0.000 1.216 612 Y HN 0.301 nan 8.280 nan 0.000 0.518 613 L N 3.776 125.110 121.223 0.184 0.000 2.317 613 L HA 0.621 4.962 4.340 0.001 0.000 0.281 613 L C -0.215 176.834 176.870 0.298 0.000 1.024 613 L CA 0.077 54.999 54.840 0.136 0.000 0.810 613 L CB 1.770 43.775 42.059 -0.090 0.000 1.240 613 L HN 0.646 nan 8.230 nan 0.000 0.427 614 T N 2.304 117.044 114.554 0.311 0.000 2.888 614 T HA 0.857 5.208 4.350 0.001 0.000 0.288 614 T C -1.064 173.834 174.700 0.330 0.000 1.063 614 T CA 0.025 62.319 62.100 0.324 0.000 1.010 614 T CB 1.262 70.234 68.868 0.173 0.000 1.214 614 T HN 0.937 nan 8.240 nan 0.000 0.533 615 S N 1.418 117.189 115.700 0.119 0.000 2.546 615 S HA 0.831 5.302 4.470 0.001 0.000 0.274 615 S C -1.065 173.555 174.600 0.034 0.000 1.121 615 S CA -0.901 57.320 58.200 0.035 0.000 0.887 615 S CB 1.578 64.599 63.200 -0.300 0.000 1.094 615 S HN 0.905 nan 8.310 nan 0.000 0.474 616 M N -0.140 119.535 119.600 0.124 0.000 2.721 616 M HA 0.740 5.221 4.480 0.001 0.000 0.271 616 M C -1.021 175.349 176.300 0.115 0.000 1.259 616 M CA -0.755 54.616 55.300 0.118 0.000 0.835 616 M CB 0.616 33.262 32.600 0.077 0.000 1.689 616 M HN 0.513 nan 8.290 nan 0.000 0.470 617 R N 0.143 120.676 120.500 0.056 0.000 2.404 617 R HA 0.863 5.204 4.340 0.001 0.000 0.291 617 R C -1.545 174.742 176.300 -0.022 0.000 1.025 617 R CA -0.492 55.581 56.100 -0.046 0.000 0.991 617 R CB 1.449 31.720 30.300 -0.049 0.000 1.053 617 R HN 0.685 nan 8.270 nan 0.000 0.479 618 V N 5.263 125.154 119.914 -0.038 0.000 2.628 618 V HA 0.263 4.384 4.120 0.001 0.000 0.306 618 V C 1.204 177.266 176.094 -0.053 0.000 1.045 618 V CA -0.623 61.690 62.300 0.023 0.000 0.905 618 V CB 1.865 33.775 31.823 0.145 0.000 0.997 618 V HN 0.875 nan 8.190 nan 0.000 0.436 619 I N 2.277 122.816 120.570 -0.051 0.000 2.394 619 I HA -0.127 4.044 4.170 0.001 0.000 0.251 619 I C 1.583 177.632 176.117 -0.114 0.000 1.136 619 I CA 1.702 62.950 61.300 -0.087 0.000 1.425 619 I CB 0.190 38.143 38.000 -0.078 0.000 1.079 619 I HN 0.757 nan 8.210 nan 0.000 0.425 620 D N -0.572 119.779 120.400 -0.083 0.000 2.347 620 D HA 0.037 4.678 4.640 0.001 0.000 0.213 620 D C 0.190 176.326 176.300 -0.273 0.000 0.985 620 D CA 0.736 54.654 54.000 -0.136 0.000 0.879 620 D CB 0.041 40.795 40.800 -0.077 0.000 0.919 620 D HN 0.482 nan 8.370 nan 0.000 0.526 621 H N -0.752 118.110 119.070 -0.347 0.000 2.589 621 H HA 0.094 4.651 4.556 0.001 0.000 0.351 621 H C -0.676 174.485 175.328 -0.278 0.000 1.074 621 H CA -0.769 55.066 56.048 -0.355 0.000 1.203 621 H CB 2.162 31.600 29.762 -0.540 0.000 1.558 621 H HN 0.099 nan 8.280 nan 0.000 0.522 622 W N 6.246 127.325 121.300 -0.368 0.000 2.308 622 W HA 0.105 4.766 4.660 0.001 0.000 0.311 622 W C -0.293 176.082 176.519 -0.240 0.000 1.088 622 W CA -0.007 57.089 57.345 -0.414 0.000 1.309 622 W CB 0.025 29.203 29.460 -0.470 0.000 1.229 622 W HN 0.872 nan 8.180 nan 0.000 0.427 623 H N 1.034 119.690 119.070 -0.691 0.000 1.452 623 H HA -0.335 4.221 4.556 0.001 0.000 0.090 623 H C 1.892 177.005 175.328 -0.359 0.000 0.964 623 H CA 2.895 58.583 56.048 -0.601 0.000 1.901 623 H CB -1.683 27.711 29.762 -0.613 0.000 2.257 623 H HN 0.471 nan 8.280 nan 0.000 0.961 624 T N -0.146 114.322 114.554 -0.144 0.000 3.163 624 T HA 0.335 4.686 4.350 0.001 0.000 0.260 624 T C 1.255 175.914 174.700 -0.068 0.000 1.156 624 T CA 1.955 63.829 62.100 -0.376 0.000 1.072 624 T CB -0.590 67.962 68.868 -0.526 0.000 0.937 624 T HN 1.425 nan 8.240 nan 0.000 0.528 625 A N 0.667 123.508 122.820 0.035 0.000 2.832 625 A HA -0.206 4.115 4.320 0.001 0.000 0.280 625 A C 1.686 179.271 177.584 0.000 0.000 1.464 625 A CA 1.471 53.548 52.037 0.068 0.000 0.804 625 A CB -2.820 16.311 19.000 0.217 0.000 1.020 625 A HN 1.120 nan 8.150 nan 0.000 0.563 626 T N -3.697 110.836 114.554 -0.033 0.000 3.088 626 T HA 0.311 4.662 4.350 0.001 0.000 0.259 626 T C 1.478 175.881 174.700 -0.495 0.000 1.122 626 T CA 1.293 63.302 62.100 -0.153 0.000 1.095 626 T CB -0.131 68.703 68.868 -0.058 0.000 0.930 626 T HN 0.590 nan 8.240 nan 0.000 0.508 627 M N 1.310 120.692 119.600 -0.364 0.000 2.940 627 M HA 0.122 4.602 4.480 0.001 0.000 0.248 627 M C 2.671 178.833 176.300 -0.229 0.000 1.379 627 M CA 1.303 56.332 55.300 -0.451 0.000 1.262 627 M CB -0.214 32.263 32.600 -0.206 0.000 1.201 627 M HN 0.324 nan 8.290 nan 0.000 0.553 628 T N -1.424 113.037 114.554 -0.154 0.000 3.035 628 T HA 0.008 4.359 4.350 0.001 0.000 0.268 628 T C 1.704 176.231 174.700 -0.289 0.000 1.109 628 T CA 1.190 63.143 62.100 -0.245 0.000 1.119 628 T CB -0.851 67.786 68.868 -0.385 0.000 0.900 628 T HN 0.498 nan 8.240 nan 0.000 0.503 629 G N 1.273 109.942 108.800 -0.219 0.000 2.744 629 G HA2 0.013 3.973 3.960 0.001 0.000 0.211 629 G HA3 0.013 3.973 3.960 0.001 0.000 0.211 629 G C 1.520 176.351 174.900 -0.115 0.000 1.143 629 G CA -0.163 44.846 45.100 -0.152 0.000 0.788 629 G HN 0.389 nan 8.290 nan 0.000 0.534 630 K N 0.376 120.692 120.400 -0.139 0.000 2.444 630 K HA 0.136 4.457 4.320 0.001 0.000 0.193 630 K C 0.090 176.648 176.600 -0.070 0.000 1.024 630 K CA 0.089 56.321 56.287 -0.091 0.000 1.077 630 K CB 0.916 33.355 32.500 -0.103 0.000 0.833 630 K HN 0.198 nan 8.250 nan 0.000 0.517 631 V N 3.266 123.121 119.914 -0.099 0.000 2.293 631 V HA 0.122 4.242 4.120 0.001 0.000 0.275 631 V C -1.794 174.248 176.094 -0.087 0.000 1.021 631 V CA -1.534 60.717 62.300 -0.081 0.000 0.815 631 V CB 1.384 33.150 31.823 -0.096 0.000 1.025 631 V HN -0.088 nan 8.190 nan 0.000 0.448 632 P HA -0.223 nan 4.420 nan 0.000 0.216 632 P C 1.572 178.838 177.300 -0.056 0.000 1.154 632 P CA 1.398 64.471 63.100 -0.045 0.000 0.865 632 P CB 0.250 31.935 31.700 -0.024 0.000 0.789 633 E N 0.004 120.170 120.200 -0.057 0.000 2.268 633 E HA -0.120 4.231 4.350 0.001 0.000 0.195 633 E C 1.749 178.298 176.600 -0.085 0.000 0.995 633 E CA 0.847 57.212 56.400 -0.057 0.000 0.836 633 E CB -1.212 28.462 29.700 -0.044 0.000 0.763 633 E HN 0.326 nan 8.360 nan 0.000 0.491 634 L N 0.800 121.942 121.223 -0.134 0.000 2.675 634 L HA -0.078 4.262 4.340 0.001 0.000 0.238 634 L C 1.545 178.297 176.870 -0.197 0.000 1.155 634 L CA 0.463 55.175 54.840 -0.213 0.000 0.881 634 L CB -0.108 41.749 42.059 -0.336 0.000 1.008 634 L HN 0.023 nan 8.230 nan 0.000 0.443 635 Q N -1.320 118.424 119.800 -0.094 0.000 2.281 635 Q HA 0.033 4.374 4.340 0.001 0.000 0.215 635 Q C 1.642 177.645 176.000 0.003 0.000 0.867 635 Q CA 0.195 55.993 55.803 -0.008 0.000 0.940 635 Q CB 0.247 28.986 28.738 0.002 0.000 1.111 635 Q HN 0.102 nan 8.270 nan 0.000 0.513 636 K N 1.086 121.474 120.400 -0.021 0.000 2.362 636 K HA 0.072 4.393 4.320 0.001 0.000 0.200 636 K C 1.539 178.130 176.600 -0.015 0.000 1.046 636 K CA 0.971 57.249 56.287 -0.016 0.000 0.952 636 K CB 0.083 32.569 32.500 -0.023 0.000 0.753 636 K HN 0.226 nan 8.250 nan 0.000 0.466 637 A N -0.083 122.728 122.820 -0.016 0.000 1.963 637 A HA 0.165 4.485 4.320 0.001 0.000 0.211 637 A C 0.397 177.973 177.584 -0.012 0.000 1.380 637 A CA 0.314 52.337 52.037 -0.023 0.000 0.690 637 A CB 0.229 19.209 19.000 -0.034 0.000 1.060 637 A HN 0.111 nan 8.150 nan 0.000 0.498 638 N N 0.177 118.880 118.700 0.006 0.000 2.776 638 N HA 0.326 5.067 4.740 0.001 0.000 0.245 638 N C -2.491 173.000 175.510 -0.032 0.000 1.121 638 N CA -1.180 51.872 53.050 0.004 0.000 0.852 638 N CB 1.636 40.068 38.487 -0.091 0.000 1.142 638 N HN 0.112 nan 8.380 nan 0.000 0.514 639 P HA 0.101 nan 4.420 nan 0.000 0.220 639 P C 0.362 177.806 177.300 0.239 0.000 1.154 639 P CA 0.712 63.886 63.100 0.123 0.000 0.830 639 P CB 0.542 32.303 31.700 0.101 0.000 0.803 640 I N -5.334 115.424 120.570 0.313 0.000 2.934 640 I HA 0.795 4.966 4.170 0.001 0.000 0.306 640 I C -0.571 175.719 176.117 0.288 0.000 1.110 640 I CA -2.090 59.384 61.300 0.290 0.000 1.019 640 I CB 1.947 40.040 38.000 0.155 0.000 1.227 640 I HN -0.272 nan 8.210 nan 0.000 0.434 641 A N 3.038 125.826 122.820 -0.053 0.000 2.466 641 A HA 0.623 4.944 4.320 0.001 0.000 0.238 641 A C -0.614 176.949 177.584 -0.035 0.000 1.074 641 A CA 0.234 52.077 52.037 -0.324 0.000 0.774 641 A CB -0.186 18.568 19.000 -0.410 0.000 1.015 641 A HN 0.749 nan 8.150 nan 0.000 0.498 642 F N -0.684 119.210 119.950 -0.093 0.000 2.662 642 F HA 0.673 5.201 4.527 0.001 0.000 0.312 642 F C -0.788 174.988 175.800 -0.040 0.000 1.113 642 F CA -1.378 56.592 58.000 -0.049 0.000 0.951 642 F CB 1.417 40.406 39.000 -0.019 0.000 1.344 642 F HN 0.446 nan 8.300 nan 0.000 0.462 643 V N 1.370 121.369 119.914 0.142 0.000 2.448 643 V HA 0.426 4.547 4.120 0.001 0.000 0.295 643 V C -0.687 175.516 176.094 0.181 0.000 1.025 643 V CA -0.335 62.020 62.300 0.092 0.000 0.859 643 V CB 1.667 33.508 31.823 0.029 0.000 0.988 643 V HN 0.864 nan 8.190 nan 0.000 0.431 644 E N 6.594 126.913 120.200 0.198 0.000 2.229 644 E HA 0.483 4.834 4.350 0.001 0.000 0.283 644 E C -0.847 175.826 176.600 0.122 0.000 1.030 644 E CA -0.107 56.405 56.400 0.187 0.000 0.836 644 E CB 1.600 31.424 29.700 0.206 0.000 1.068 644 E HN 0.585 nan 8.360 nan 0.000 0.401 645 I N 2.434 123.066 120.570 0.104 0.000 2.646 645 I HA 0.185 4.355 4.170 0.001 0.000 0.299 645 I C -0.106 176.063 176.117 0.086 0.000 1.036 645 I CA -1.083 60.266 61.300 0.083 0.000 1.074 645 I CB 2.010 40.047 38.000 0.061 0.000 1.258 645 I HN 0.431 nan 8.210 nan 0.000 0.430 646 N N 2.893 121.640 118.700 0.078 0.000 2.497 646 N HA 0.026 4.766 4.740 0.001 0.000 0.268 646 N C 0.867 176.415 175.510 0.064 0.000 1.171 646 N CA 0.173 53.267 53.050 0.073 0.000 0.948 646 N CB 0.933 39.464 38.487 0.073 0.000 1.069 646 N HN 0.533 nan 8.380 nan 0.000 0.460 647 E N 1.439 121.675 120.200 0.061 0.000 2.113 647 E HA -0.291 4.060 4.350 0.001 0.000 0.210 647 E C 0.807 177.433 176.600 0.043 0.000 1.040 647 E CA 1.625 58.056 56.400 0.051 0.000 0.847 647 E CB 0.071 29.796 29.700 0.041 0.000 0.755 647 E HN 0.671 nan 8.360 nan 0.000 0.459 648 E N 0.281 120.506 120.200 0.042 0.000 2.230 648 E HA -0.101 4.250 4.350 0.001 0.000 0.192 648 E C 1.546 178.167 176.600 0.034 0.000 0.987 648 E CA 0.556 56.978 56.400 0.035 0.000 0.841 648 E CB -0.027 29.693 29.700 0.034 0.000 0.783 648 E HN 0.262 nan 8.360 nan 0.000 0.481 649 D N 0.899 121.323 120.400 0.040 0.000 2.178 649 D HA -0.051 4.590 4.640 0.001 0.000 0.202 649 D C 1.798 178.116 176.300 0.031 0.000 0.974 649 D CA 1.159 55.181 54.000 0.036 0.000 0.841 649 D CB -0.004 40.822 40.800 0.043 0.000 0.953 649 D HN 0.127 nan 8.370 nan 0.000 0.478 650 A N 1.070 123.912 122.820 0.036 0.000 1.872 650 A HA 0.037 4.358 4.320 0.001 0.000 0.214 650 A C 2.323 179.924 177.584 0.028 0.000 1.187 650 A CA 1.954 54.011 52.037 0.034 0.000 0.614 650 A CB -0.823 18.204 19.000 0.047 0.000 0.826 650 A HN 0.201 nan 8.150 nan 0.000 0.442 651 A N -0.329 122.508 122.820 0.029 0.000 1.892 651 A HA -0.252 4.069 4.320 0.001 0.000 0.218 651 A C 2.294 179.888 177.584 0.017 0.000 1.188 651 A CA 1.959 54.010 52.037 0.023 0.000 0.631 651 A CB -0.550 18.463 19.000 0.022 0.000 0.822 651 A HN 0.494 nan 8.150 nan 0.000 0.447 652 R N -1.658 118.852 120.500 0.017 0.000 2.189 652 R HA -0.057 4.284 4.340 0.001 0.000 0.218 652 R C 1.524 177.828 176.300 0.008 0.000 1.074 652 R CA 1.534 57.642 56.100 0.012 0.000 0.991 652 R CB -0.119 30.189 30.300 0.013 0.000 0.883 652 R HN 0.508 nan 8.270 nan 0.000 0.457 653 T N -1.902 112.657 114.554 0.009 0.000 3.044 653 T HA 0.188 4.539 4.350 0.001 0.000 0.260 653 T C 0.572 175.274 174.700 0.003 0.000 1.019 653 T CA 0.711 62.813 62.100 0.003 0.000 0.921 653 T CB 0.424 69.292 68.868 0.001 0.000 1.053 653 T HN 0.475 nan 8.240 nan 0.000 0.533 654 G N 1.806 110.610 108.800 0.008 0.000 2.147 654 G HA2 -0.194 3.767 3.960 0.001 0.000 0.244 654 G HA3 -0.194 3.767 3.960 0.001 0.000 0.244 654 G C -0.048 174.858 174.900 0.011 0.000 1.005 654 G CA 0.166 45.271 45.100 0.009 0.000 0.713 654 G HN 0.605 nan 8.290 nan 0.000 0.515 655 I N 0.348 120.927 120.570 0.015 0.000 2.342 655 I HA 0.399 4.570 4.170 0.001 0.000 0.291 655 I C 0.648 176.782 176.117 0.028 0.000 1.010 655 I CA -0.503 60.807 61.300 0.016 0.000 1.308 655 I CB 1.429 39.437 38.000 0.013 0.000 1.400 655 I HN 0.083 nan 8.210 nan 0.000 0.488 656 K N 4.745 125.162 120.400 0.028 0.000 2.095 656 K HA 0.273 4.594 4.320 0.001 0.000 0.252 656 K C -0.035 176.603 176.600 0.064 0.000 0.977 656 K CA -0.689 55.628 56.287 0.050 0.000 0.900 656 K CB 0.819 33.343 32.500 0.040 0.000 1.060 656 K HN 0.538 nan 8.250 nan 0.000 0.449 657 H N 0.737 119.811 119.070 0.007 0.000 2.707 657 H HA 0.067 4.624 4.556 0.001 0.000 0.359 657 H C 0.765 176.095 175.328 0.005 0.000 1.113 657 H CA 2.180 58.232 56.048 0.006 0.000 1.422 657 H CB 0.986 30.747 29.762 -0.001 0.000 1.443 657 H HN 0.913 nan 8.280 nan 0.000 0.591 658 G N 4.306 112.831 108.800 -0.457 0.000 2.267 658 G HA2 -0.269 3.692 3.960 0.001 0.000 0.257 658 G HA3 -0.269 3.692 3.960 0.001 0.000 0.257 658 G C 0.033 174.869 174.900 -0.107 0.000 0.998 658 G CA 0.391 45.363 45.100 -0.213 0.000 0.620 658 G HN 0.664 nan 8.290 nan 0.000 0.529 659 D N 0.982 121.334 120.400 -0.080 0.000 2.424 659 D HA 0.449 5.090 4.640 0.001 0.000 0.244 659 D C 0.581 176.858 176.300 -0.039 0.000 1.134 659 D CA 0.507 54.483 54.000 -0.039 0.000 0.881 659 D CB 1.328 42.117 40.800 -0.020 0.000 1.191 659 D HN 0.155 nan 8.370 nan 0.000 0.445 660 S N 1.014 116.700 115.700 -0.023 0.000 2.498 660 S HA 0.345 4.816 4.470 0.001 0.000 0.281 660 S C -0.216 174.376 174.600 -0.015 0.000 1.265 660 S CA -0.650 57.540 58.200 -0.016 0.000 1.071 660 S CB -0.125 63.069 63.200 -0.011 0.000 0.894 660 S HN 0.288 nan 8.310 nan 0.000 0.491 661 V N 3.980 123.886 119.914 -0.014 0.000 3.001 661 V HA 0.669 4.790 4.120 0.001 0.000 0.314 661 V C -0.670 175.415 176.094 -0.016 0.000 1.099 661 V CA -1.216 61.076 62.300 -0.014 0.000 0.989 661 V CB 1.709 33.526 31.823 -0.011 0.000 1.040 661 V HN 0.620 nan 8.190 nan 0.000 0.434 662 I N 3.126 123.686 120.570 -0.017 0.000 2.352 662 I HA 0.384 4.555 4.170 0.001 0.000 0.290 662 I C 0.174 176.279 176.117 -0.021 0.000 1.036 662 I CA -0.433 60.855 61.300 -0.020 0.000 1.336 662 I CB 0.981 38.970 38.000 -0.019 0.000 1.407 662 I HN 0.465 nan 8.210 nan 0.000 0.497 663 V N 6.470 126.368 119.914 -0.028 0.000 2.432 663 V HA 0.350 4.471 4.120 0.001 0.000 0.275 663 V C 0.265 176.338 176.094 -0.035 0.000 1.043 663 V CA -0.540 61.740 62.300 -0.034 0.000 0.925 663 V CB 1.328 33.120 31.823 -0.053 0.000 0.985 663 V HN 0.791 nan 8.190 nan 0.000 0.466 664 E N 3.079 123.276 120.200 -0.005 0.000 2.256 664 E HA 0.615 4.965 4.350 0.001 0.000 0.268 664 E C -0.593 176.064 176.600 0.096 0.000 0.877 664 E CA -0.498 55.922 56.400 0.032 0.000 0.757 664 E CB 2.118 31.854 29.700 0.060 0.000 1.183 664 E HN 0.855 nan 8.360 nan 0.000 0.418 665 T N 0.821 115.362 114.554 -0.023 0.000 2.927 665 T HA 0.382 4.733 4.350 0.001 0.000 0.286 665 T C 1.049 175.593 174.700 -0.261 0.000 1.040 665 T CA -0.664 61.311 62.100 -0.209 0.000 1.010 665 T CB 1.502 70.172 68.868 -0.328 0.000 1.177 665 T HN 0.559 nan 8.240 nan 0.000 0.546 666 R N -0.243 119.862 120.500 -0.658 0.000 2.174 666 R HA -0.131 4.210 4.340 0.001 0.000 0.253 666 R C 2.444 178.644 176.300 -0.166 0.000 1.165 666 R CA 1.895 57.771 56.100 -0.373 0.000 0.984 666 R CB -0.186 29.862 30.300 -0.419 0.000 0.873 666 R HN 0.605 nan 8.270 nan 0.000 0.456 667 R N -1.289 119.107 120.500 -0.174 0.000 2.156 667 R HA 0.128 4.469 4.340 0.001 0.000 0.207 667 R C 0.275 176.523 176.300 -0.086 0.000 1.040 667 R CA 0.472 56.501 56.100 -0.119 0.000 1.013 667 R CB 0.415 30.637 30.300 -0.131 0.000 0.931 667 R HN 0.086 nan 8.270 nan 0.000 0.465 668 D N -2.056 118.292 120.400 -0.088 0.000 2.779 668 D HA 0.530 5.171 4.640 0.001 0.000 0.331 668 D C -1.808 174.463 176.300 -0.049 0.000 1.331 668 D CA -0.400 53.564 54.000 -0.060 0.000 0.866 668 D CB 1.991 42.753 40.800 -0.064 0.000 1.409 668 D HN 0.011 nan 8.370 nan 0.000 0.486 669 A N 0.503 123.300 122.820 -0.037 0.000 2.549 669 A HA 0.782 5.103 4.320 0.001 0.000 0.297 669 A C -1.381 176.183 177.584 -0.034 0.000 1.061 669 A CA -0.544 51.475 52.037 -0.030 0.000 0.690 669 A CB 1.810 20.802 19.000 -0.012 0.000 1.287 669 A HN 0.504 nan 8.150 nan 0.000 0.402 670 M N 1.505 121.083 119.600 -0.037 0.000 2.333 670 M HA 0.415 4.895 4.480 0.001 0.000 0.286 670 M C -1.604 174.676 176.300 -0.034 0.000 1.113 670 M CA -0.123 55.155 55.300 -0.037 0.000 0.959 670 M CB 1.699 34.269 32.600 -0.051 0.000 1.776 670 M HN 0.850 nan 8.290 nan 0.000 0.492 671 E N 4.119 124.303 120.200 -0.027 0.000 2.283 671 E HA 0.689 5.040 4.350 0.001 0.000 0.278 671 E C -1.820 174.766 176.600 -0.023 0.000 1.027 671 E CA -0.373 56.014 56.400 -0.022 0.000 0.843 671 E CB 1.071 30.762 29.700 -0.016 0.000 1.062 671 E HN 0.685 nan 8.360 nan 0.000 0.401 672 L N 5.481 126.693 121.223 -0.018 0.000 2.466 672 L HA 0.471 4.812 4.340 0.001 0.000 0.258 672 L C -2.411 174.461 176.870 0.004 0.000 0.973 672 L CA -2.350 52.484 54.840 -0.009 0.000 0.826 672 L CB 2.441 44.487 42.059 -0.021 0.000 1.372 672 L HN 0.537 nan 8.230 nan 0.000 0.409 673 P HA 0.208 nan 4.420 nan 0.000 0.276 673 P C -1.051 176.249 177.300 0.001 0.000 1.230 673 P CA -0.284 62.817 63.100 0.001 0.000 0.776 673 P CB 1.386 33.091 31.700 0.008 0.000 0.888 674 A N 4.086 126.868 122.820 -0.064 0.000 2.301 674 A HA 0.457 4.778 4.320 0.001 0.000 0.298 674 A C 0.229 177.679 177.584 -0.224 0.000 1.185 674 A CA -0.704 51.292 52.037 -0.069 0.000 0.830 674 A CB 0.259 19.228 19.000 -0.050 0.000 1.112 674 A HN 0.578 nan 8.150 nan 0.000 0.508 675 R N 3.185 123.622 120.500 -0.105 0.000 2.272 675 R HA 0.507 4.848 4.340 0.001 0.000 0.323 675 R C -1.656 174.703 176.300 0.099 0.000 1.002 675 R CA -0.256 55.764 56.100 -0.134 0.000 0.900 675 R CB 0.773 31.057 30.300 -0.027 0.000 1.151 675 R HN 0.481 nan 8.270 nan 0.000 0.507 676 V N 3.577 123.671 119.914 0.299 0.000 2.465 676 V HA 0.488 4.609 4.120 0.001 0.000 0.279 676 V C -0.009 176.216 176.094 0.219 0.000 1.045 676 V CA 0.041 62.490 62.300 0.249 0.000 0.938 676 V CB 1.477 33.431 31.823 0.217 0.000 0.986 676 V HN 0.908 nan 8.190 nan 0.000 0.467 677 S N 1.594 117.364 115.700 0.118 0.000 2.761 677 S HA 0.227 4.698 4.470 0.001 0.000 0.290 677 S C -0.258 174.376 174.600 0.058 0.000 1.222 677 S CA -0.048 58.192 58.200 0.066 0.000 0.954 677 S CB 1.377 64.609 63.200 0.054 0.000 1.281 677 S HN 0.952 nan 8.310 nan 0.000 0.527 678 D N 0.808 121.234 120.400 0.044 0.000 2.369 678 D HA 0.138 4.779 4.640 0.001 0.000 0.211 678 D C 1.427 177.761 176.300 0.057 0.000 1.077 678 D CA 0.185 54.215 54.000 0.050 0.000 0.842 678 D CB -0.378 40.447 40.800 0.040 0.000 0.947 678 D HN 0.156 nan 8.370 nan 0.000 0.509 679 V N 0.619 120.564 119.914 0.053 0.000 2.231 679 V HA -0.232 3.888 4.120 0.001 0.000 0.248 679 V C 1.396 177.537 176.094 0.079 0.000 1.054 679 V CA 1.064 63.395 62.300 0.053 0.000 1.015 679 V CB -0.606 31.252 31.823 0.058 0.000 0.638 679 V HN 0.385 nan 8.190 nan 0.000 0.444 680 C N 1.811 121.166 119.300 0.091 0.000 2.499 680 C HA 0.432 4.893 4.460 0.001 0.000 0.386 680 C C 1.152 176.200 174.990 0.097 0.000 1.293 680 C CA -1.054 58.024 59.018 0.101 0.000 1.884 680 C CB -0.479 27.326 27.740 0.108 0.000 2.509 680 C HN 0.618 nan 8.230 nan 0.000 0.566 681 R N 3.853 124.413 120.500 0.100 0.000 2.784 681 R HA 0.280 4.620 4.340 0.001 0.000 0.266 681 R C -2.764 173.591 176.300 0.093 0.000 1.044 681 R CA -0.632 55.520 56.100 0.087 0.000 1.151 681 R CB -0.544 29.798 30.300 0.071 0.000 1.037 681 R HN 0.349 nan 8.270 nan 0.000 0.478 682 P HA 0.029 nan 4.420 nan 0.000 0.266 682 P C 0.391 177.758 177.300 0.112 0.000 1.195 682 P CA 1.239 64.389 63.100 0.084 0.000 0.768 682 P CB 0.787 32.528 31.700 0.068 0.000 0.838 683 G N 0.846 109.713 108.800 0.111 0.000 2.176 683 G HA2 -0.198 3.763 3.960 0.001 0.000 0.232 683 G HA3 -0.198 3.763 3.960 0.001 0.000 0.232 683 G C -0.473 174.546 174.900 0.198 0.000 0.986 683 G CA -0.012 45.170 45.100 0.136 0.000 0.643 683 G HN 0.614 nan 8.290 nan 0.000 0.522 684 L N 1.717 123.049 121.223 0.183 0.000 2.362 684 L HA 0.908 5.249 4.340 0.001 0.000 0.271 684 L C -0.040 176.915 176.870 0.142 0.000 1.002 684 L CA -1.518 53.444 54.840 0.203 0.000 0.818 684 L CB 1.560 43.726 42.059 0.179 0.000 1.298 684 L HN 0.547 nan 8.230 nan 0.000 0.420 685 I N 1.555 122.207 120.570 0.138 0.000 2.785 685 I HA 1.012 5.183 4.170 0.001 0.000 0.302 685 I C -0.940 175.249 176.117 0.120 0.000 1.069 685 I CA -0.845 60.520 61.300 0.109 0.000 1.045 685 I CB 2.129 40.173 38.000 0.073 0.000 1.236 685 I HN 0.794 nan 8.210 nan 0.000 0.429 686 A N 3.818 126.705 122.820 0.112 0.000 2.475 686 A HA 0.872 5.193 4.320 0.001 0.000 0.301 686 A C -0.860 176.759 177.584 0.058 0.000 1.059 686 A CA -0.553 51.553 52.037 0.116 0.000 0.710 686 A CB 1.953 21.027 19.000 0.123 0.000 1.288 686 A HN 1.296 nan 8.150 nan 0.000 0.408 687 V N -0.846 119.095 119.914 0.044 0.000 2.841 687 V HA 0.885 5.006 4.120 0.001 0.000 0.310 687 V C -2.992 173.006 176.094 -0.160 0.000 1.090 687 V CA -2.193 60.043 62.300 -0.106 0.000 0.930 687 V CB 2.018 33.830 31.823 -0.020 0.000 1.014 687 V HN 0.777 nan 8.190 nan 0.000 0.425 688 P HA 0.463 nan 4.420 nan 0.000 0.278 688 P C -0.444 176.668 177.300 -0.314 0.000 1.266 688 P CA -0.415 62.440 63.100 -0.407 0.000 0.807 688 P CB 1.198 32.455 31.700 -0.738 0.000 1.094 689 F N -2.223 117.532 119.950 -0.325 0.000 2.775 689 F HA 0.368 4.895 4.527 0.001 0.000 0.313 689 F C 1.163 176.941 175.800 -0.036 0.000 1.121 689 F CA -0.795 57.090 58.000 -0.191 0.000 1.206 689 F CB -1.019 37.916 39.000 -0.109 0.000 1.052 689 F HN 0.015 nan 8.300 nan 0.000 0.524 690 F N -1.040 118.773 119.950 -0.229 0.000 2.661 690 F HA 0.228 4.755 4.527 0.001 0.000 0.298 690 F C 0.466 176.301 175.800 0.059 0.000 1.137 690 F CA -0.308 57.591 58.000 -0.169 0.000 1.454 690 F CB -0.375 38.439 39.000 -0.310 0.000 1.103 690 F HN -0.077 nan 8.300 nan 0.000 0.577 691 D N 3.252 123.598 120.400 -0.090 0.000 2.313 691 D HA 0.174 4.814 4.640 0.001 0.000 0.239 691 D C -1.728 174.624 176.300 0.087 0.000 1.142 691 D CA -2.678 51.353 54.000 0.052 0.000 0.847 691 D CB 1.676 42.389 40.800 -0.146 0.000 1.082 691 D HN -0.031 nan 8.370 nan 0.000 0.480 692 P HA 0.023 nan 4.420 nan 0.000 0.245 692 P C 0.380 177.675 177.300 -0.008 0.000 1.212 692 P CA 0.423 63.563 63.100 0.067 0.000 0.774 692 P CB 0.492 32.309 31.700 0.196 0.000 0.999 693 K N -0.571 119.832 120.400 0.004 0.000 2.354 693 K HA 0.131 4.452 4.320 0.001 0.000 0.194 693 K C 0.458 177.038 176.600 -0.033 0.000 1.038 693 K CA 0.394 56.678 56.287 -0.005 0.000 1.052 693 K CB 0.459 32.969 32.500 0.017 0.000 0.861 693 K HN -0.115 nan 8.250 nan 0.000 0.535 694 K N 1.577 121.938 120.400 -0.065 0.000 2.646 694 K HA 0.267 4.588 4.320 0.001 0.000 0.210 694 K C -1.037 175.495 176.600 -0.115 0.000 1.020 694 K CA -0.111 56.124 56.287 -0.085 0.000 1.040 694 K CB 1.147 33.581 32.500 -0.109 0.000 1.253 694 K HN 0.022 nan 8.250 nan 0.000 0.532 695 L N 3.452 124.613 121.223 -0.103 0.000 2.375 695 L HA 0.088 4.429 4.340 0.001 0.000 0.276 695 L C 1.788 178.627 176.870 -0.052 0.000 1.162 695 L CA -0.428 54.331 54.840 -0.135 0.000 0.991 695 L CB 0.334 42.322 42.059 -0.119 0.000 1.315 695 L HN 0.257 nan 8.230 nan 0.000 0.431 696 V N -0.748 119.162 119.914 -0.006 0.000 2.626 696 V HA -0.154 3.967 4.120 0.001 0.000 0.252 696 V C 1.872 178.089 176.094 0.206 0.000 1.067 696 V CA 1.189 63.539 62.300 0.084 0.000 1.081 696 V CB -0.500 31.414 31.823 0.151 0.000 0.686 696 V HN 0.722 nan 8.190 nan 0.000 0.468 697 N N 1.248 120.046 118.700 0.163 0.000 2.513 697 N HA -0.131 4.610 4.740 0.001 0.000 0.187 697 N C 1.642 177.188 175.510 0.060 0.000 1.056 697 N CA 1.351 54.509 53.050 0.181 0.000 0.907 697 N CB -0.351 38.169 38.487 0.054 0.000 0.954 697 N HN 0.639 nan 8.380 nan 0.000 0.445 698 K N 0.312 120.706 120.400 -0.011 0.000 2.209 698 K HA -0.041 4.280 4.320 0.001 0.000 0.204 698 K C 1.827 178.381 176.600 -0.076 0.000 1.048 698 K CA 0.683 56.931 56.287 -0.065 0.000 0.940 698 K CB 0.042 32.510 32.500 -0.053 0.000 0.729 698 K HN 0.213 nan 8.250 nan 0.000 0.451 699 L N -0.397 120.773 121.223 -0.090 0.000 2.162 699 L HA 0.033 4.374 4.340 0.001 0.000 0.205 699 L C 0.672 177.352 176.870 -0.318 0.000 1.086 699 L CA 0.167 54.856 54.840 -0.251 0.000 0.778 699 L CB -0.127 41.688 42.059 -0.407 0.000 0.928 699 L HN -0.031 nan 8.230 nan 0.000 0.446 700 F N 0.154 120.047 119.950 -0.094 0.000 2.418 700 F HA 0.185 4.713 4.527 0.001 0.000 0.341 700 F C 0.543 176.254 175.800 -0.147 0.000 1.120 700 F CA -0.633 57.304 58.000 -0.106 0.000 1.232 700 F CB 0.465 39.421 39.000 -0.074 0.000 1.175 700 F HN -0.182 nan 8.300 nan 0.000 0.569 701 L N 1.542 122.777 121.223 0.021 0.000 2.482 701 L HA 0.197 4.538 4.340 0.001 0.000 0.242 701 L C 0.690 177.497 176.870 -0.105 0.000 1.210 701 L CA 0.534 55.338 54.840 -0.060 0.000 0.819 701 L CB 0.446 42.460 42.059 -0.075 0.000 1.203 701 L HN 0.635 nan 8.230 nan 0.000 0.495 702 D N -0.263 120.056 120.400 -0.135 0.000 2.520 702 D HA 0.283 4.924 4.640 0.001 0.000 0.223 702 D C -0.124 176.082 176.300 -0.156 0.000 1.186 702 D CA 0.240 54.137 54.000 -0.171 0.000 0.821 702 D CB 0.531 41.258 40.800 -0.122 0.000 1.072 702 D HN 0.629 nan 8.370 nan 0.000 0.518 703 A N 0.589 123.331 122.820 -0.130 0.000 2.498 703 A HA 0.470 4.791 4.320 0.001 0.000 0.239 703 A C 0.604 178.112 177.584 -0.127 0.000 1.068 703 A CA 0.297 52.270 52.037 -0.106 0.000 0.766 703 A CB 0.067 19.016 19.000 -0.084 0.000 1.003 703 A HN 0.204 nan 8.150 nan 0.000 0.497 704 T N -0.085 114.402 114.554 -0.111 0.000 2.887 704 T HA 0.456 4.807 4.350 0.001 0.000 0.288 704 T C -0.443 174.171 174.700 -0.144 0.000 1.021 704 T CA -0.760 61.262 62.100 -0.130 0.000 1.000 704 T CB 1.422 70.215 68.868 -0.124 0.000 1.034 704 T HN 0.666 nan 8.240 nan 0.000 0.467 705 D N 2.378 122.684 120.400 -0.158 0.000 2.493 705 D HA 0.074 4.715 4.640 0.001 0.000 0.240 705 D C -1.506 174.669 176.300 -0.209 0.000 1.142 705 D CA -1.449 52.434 54.000 -0.195 0.000 0.872 705 D CB 1.370 42.060 40.800 -0.184 0.000 1.173 705 D HN 0.211 nan 8.370 nan 0.000 0.467 706 P HA -0.048 nan 4.420 nan 0.000 0.234 706 P C 1.071 178.256 177.300 -0.192 0.000 1.167 706 P CA 0.253 63.242 63.100 -0.186 0.000 0.763 706 P CB 0.505 32.109 31.700 -0.160 0.000 0.835 707 V N -0.560 119.226 119.914 -0.214 0.000 2.743 707 V HA -0.048 4.073 4.120 0.001 0.000 0.237 707 V C 2.285 178.267 176.094 -0.187 0.000 1.113 707 V CA 1.890 64.081 62.300 -0.182 0.000 1.141 707 V CB -0.690 31.029 31.823 -0.173 0.000 0.873 707 V HN 0.179 nan 8.190 nan 0.000 0.486 708 S N -0.933 114.668 115.700 -0.166 0.000 2.501 708 S HA -0.012 4.458 4.470 0.001 0.000 0.220 708 S C 1.210 175.711 174.600 -0.165 0.000 0.997 708 S CA 0.015 58.138 58.200 -0.129 0.000 0.919 708 S CB 0.093 63.264 63.200 -0.047 0.000 0.778 708 S HN 0.401 nan 8.310 nan 0.000 0.523 709 R N 0.583 120.950 120.500 -0.221 0.000 3.951 709 R HA -0.133 4.208 4.340 0.001 0.000 0.352 709 R C -0.216 176.005 176.300 -0.133 0.000 1.178 709 R CA 1.077 57.007 56.100 -0.284 0.000 0.949 709 R CB -2.632 27.288 30.300 -0.633 0.000 1.452 709 R HN 0.843 nan 8.270 nan 0.000 0.540 710 E N 1.994 122.147 120.200 -0.080 0.000 2.414 710 E HA 0.122 4.472 4.350 0.001 0.000 0.263 710 E C -2.077 174.465 176.600 -0.095 0.000 1.000 710 E CA -1.358 55.021 56.400 -0.036 0.000 0.914 710 E CB 0.680 30.378 29.700 -0.003 0.000 0.948 710 E HN -0.010 nan 8.360 nan 0.000 0.444 711 P HA 0.071 nan 4.420 nan 0.000 0.276 711 P C -1.176 175.963 177.300 -0.269 0.000 1.252 711 P CA -0.141 62.774 63.100 -0.308 0.000 0.802 711 P CB 0.557 31.866 31.700 -0.651 0.000 1.035 712 E N 0.706 120.753 120.200 -0.255 0.000 2.069 712 E HA 0.108 4.459 4.350 0.001 0.000 0.254 712 E C -0.194 176.318 176.600 -0.146 0.000 1.088 712 E CA -0.139 56.178 56.400 -0.138 0.000 1.017 712 E CB -0.532 29.118 29.700 -0.084 0.000 1.226 712 E HN 0.378 nan 8.360 nan 0.000 0.458 713 Y N 1.519 121.709 120.300 -0.183 0.000 2.509 713 Y HA -0.037 4.514 4.550 0.001 0.000 0.293 713 Y C 1.881 177.557 175.900 -0.373 0.000 1.133 713 Y CA 0.398 58.259 58.100 -0.397 0.000 1.283 713 Y CB 0.375 38.518 38.460 -0.529 0.000 1.001 713 Y HN 0.265 nan 8.280 nan 0.000 0.555 714 K N 0.203 120.606 120.400 0.006 0.000 2.361 714 K HA 0.203 4.524 4.320 0.001 0.000 0.196 714 K C 0.016 176.692 176.600 0.126 0.000 1.039 714 K CA 0.700 57.008 56.287 0.035 0.000 1.001 714 K CB 0.459 32.972 32.500 0.022 0.000 0.795 714 K HN 0.267 nan 8.250 nan 0.000 0.495 715 I N 0.794 121.459 120.570 0.158 0.000 2.548 715 I HA 0.210 4.381 4.170 0.001 0.000 0.287 715 I C -0.188 176.062 176.117 0.221 0.000 1.103 715 I CA -1.004 60.417 61.300 0.202 0.000 1.049 715 I CB 1.848 39.923 38.000 0.126 0.000 1.232 715 I HN -0.035 nan 8.210 nan 0.000 0.429 716 C N 2.865 122.297 119.300 0.220 0.000 3.335 716 C HA 0.967 5.428 4.460 0.001 0.000 0.356 716 C C -0.337 174.663 174.990 0.016 0.000 1.570 716 C CA -0.756 58.307 59.018 0.076 0.000 1.271 716 C CB 1.409 29.142 27.740 -0.013 0.000 1.873 716 C HN 0.884 nan 8.230 nan 0.000 0.439 717 A N 0.618 123.381 122.820 -0.095 0.000 2.260 717 A HA 0.890 5.211 4.320 0.001 0.000 0.314 717 A C 0.009 177.523 177.584 -0.115 0.000 1.257 717 A CA 0.427 52.398 52.037 -0.110 0.000 0.871 717 A CB 0.215 19.147 19.000 -0.114 0.000 1.166 717 A HN 2.286 nan 8.150 nan 0.000 0.522 718 A N 2.874 125.687 122.820 -0.013 0.000 2.435 718 A HA 0.969 5.290 4.320 0.001 0.000 0.296 718 A C -0.079 177.590 177.584 0.141 0.000 1.147 718 A CA -0.830 51.243 52.037 0.059 0.000 0.775 718 A CB 1.259 20.234 19.000 -0.042 0.000 1.340 718 A HN 1.187 nan 8.150 nan 0.000 0.427 719 R N -0.639 119.944 120.500 0.138 0.000 2.836 719 R HA 0.857 5.198 4.340 0.001 0.000 0.269 719 R C -1.941 174.358 176.300 -0.001 0.000 1.010 719 R CA -0.676 55.436 56.100 0.021 0.000 0.930 719 R CB 1.585 31.832 30.300 -0.089 0.000 1.218 719 R HN 0.453 nan 8.270 nan 0.000 0.473 720 V N 0.597 120.498 119.914 -0.021 0.000 2.925 720 V HA 0.686 4.807 4.120 0.001 0.000 0.311 720 V C -0.722 175.357 176.094 -0.025 0.000 1.104 720 V CA -0.914 61.376 62.300 -0.017 0.000 0.954 720 V CB 2.082 33.902 31.823 -0.005 0.000 1.022 720 V HN 0.863 nan 8.190 nan 0.000 0.427 721 R N 2.234 122.721 120.500 -0.022 0.000 2.561 721 R HA 0.435 4.776 4.340 0.001 0.000 0.266 721 R C -1.117 175.172 176.300 -0.018 0.000 1.091 721 R CA -0.854 55.232 56.100 -0.024 0.000 0.927 721 R CB 1.932 32.213 30.300 -0.032 0.000 1.240 721 R HN 0.718 nan 8.270 nan 0.000 0.449 722 K N 2.384 122.775 120.400 -0.015 0.000 2.451 722 K HA 0.196 4.517 4.320 0.001 0.000 0.280 722 K C 0.069 176.661 176.600 -0.014 0.000 1.020 722 K CA 0.388 56.667 56.287 -0.012 0.000 1.008 722 K CB 0.865 33.359 32.500 -0.010 0.000 0.917 722 K HN 0.644 nan 8.250 nan 0.000 0.478 723 A N 0.000 122.813 122.820 -0.012 0.000 2.254 723 A HA 0.000 4.321 4.320 0.001 0.000 0.244 723 A CA 0.000 52.030 52.037 -0.012 0.000 0.836 723 A CB 0.000 18.993 19.000 -0.011 0.000 0.831 723 A HN 0.000 nan 8.150 nan 0.000 0.486