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 3kdp_1_A DATA FIRST_RESID 19 DATA SEQUENCE AKKERDMDEL KKEVSMDDHK LSLDELHRKY GTDLSRGLTP ARAAEILARD DATA SEQUENCE GPNALTPPPT TPEWVKFCRQ LFGGFSMLLW IGAILCFLAY GIQAATEEEP DATA SEQUENCE QNDNLYLGVV LSAVVIITGC FSYYQEAKSS KIMESFKNMV PQQALVIRNG DATA SEQUENCE EKMSINAEEV VVGDLVEVKG GDRIPADLRI ISANGCKVDN SSLTGESEPQ DATA SEQUENCE TRSPDFTNEN PLETRNIAFF STNCVEGTAR GIVVYTGDRT VMGRIATLAS DATA SEQUENCE GLEGGQTPIA AEIEHFIHII TGVAVFLGVS FFILSLILEY TWLEAVIFLI DATA SEQUENCE GIIVANVPEG LLATVTVCLT LTAKRMARKN CLVKNLEAVE TLGSTSTICS DATA SEQUENCE DKTGTLTQNR MTVAHMWSDN QIHEADTTEN QSGVSFDKTS ATWLALSRIA DATA SEQUENCE GLCNRAVFQA NQENLPILKR AVAGDASESA LLKCIELCCG SVKEMRERYT DATA SEQUENCE KIVEIPFNST NKYQLSIHKN PNTAEPRHLL VMKGAPERIL DRCSSILIHG DATA SEQUENCE KEQPLDEELK DAFQNAYLEL GGLGERVLGF CHLFLPDEQF PEGFQFDTDD DATA SEQUENCE VNFPLDNLCF VGLISMIDPP RAAVPDAVGK CRSAGIKVIM VTGDHPITAK DATA SEQUENCE AIAKGVGIIS EGNETVEDIA ARLNIPVSQV NPRDAKACVV HGSDLKDMTS DATA SEQUENCE EQLDDILKYH TEIVFARTSP QQKLIIVEGC QRQGAIVAVT GDGVNDSPAS DATA SEQUENCE KKADIGVAMG IAGSDVSKQA ADMILLDDNF ASIVTGVEEG RLIFDNLKKS DATA SEQUENCE IAYTLTSNIP EITPFLIFII ANIPLPLGTV TILCIDLGTD MVPAISLAYE DATA SEQUENCE QAESDIMKRQ PRNPKTDKLV NEQLISMAYG QIGMIQALGG FFTYFVILAE DATA SEQUENCE NGFLPIHLLG LRVNWDDRWI NDVEDSYGQQ WTYEQRKIVE FTCHTPFFVT DATA SEQUENCE IVVVQWADLV ICKTRRNSVF QQGMKNKILI FGLFEETALA AFLSYCPGMG DATA SEQUENCE VALRMYPLKP TWWFCAFPYS LLIFVYDEVR KLIIRRRPGG WVEKETYY 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 19 A HA 0.000 nan 4.320 nan 0.000 0.244 19 A C 0.000 177.573 177.584 -0.019 0.000 1.274 19 A CA 0.000 52.025 52.037 -0.020 0.000 0.836 19 A CB 0.000 18.988 19.000 -0.020 0.000 0.831 20 K N 0.951 121.339 120.400 -0.020 0.000 2.617 20 K HA 0.551 4.870 4.320 -0.002 0.000 0.298 20 K C 0.617 177.204 176.600 -0.021 0.000 0.984 20 K CA -0.846 55.429 56.287 -0.019 0.000 1.299 20 K CB 0.165 32.654 32.500 -0.017 0.000 1.608 20 K HN 0.395 nan 8.250 nan 0.000 0.730 21 K N 1.555 121.943 120.400 -0.021 0.000 2.213 21 K HA -0.040 4.279 4.320 -0.002 0.000 0.243 21 K C 1.346 177.929 176.600 -0.027 0.000 1.085 21 K CA 0.744 57.017 56.287 -0.023 0.000 0.818 21 K CB 0.159 32.646 32.500 -0.021 0.000 1.106 21 K HN 0.438 nan 8.250 nan 0.000 0.520 22 E N 0.916 121.098 120.200 -0.029 0.000 2.086 22 E HA -0.046 4.303 4.350 -0.002 0.000 0.190 22 E C 1.439 178.019 176.600 -0.034 0.000 0.975 22 E CA 0.622 57.001 56.400 -0.034 0.000 0.813 22 E CB 0.110 29.789 29.700 -0.035 0.000 0.768 22 E HN 0.263 nan 8.360 nan 0.000 0.457 23 R N 1.451 121.933 120.500 -0.030 0.000 2.395 23 R HA -0.061 4.278 4.340 -0.002 0.000 0.202 23 R C 0.975 177.259 176.300 -0.027 0.000 1.088 23 R CA 0.552 56.635 56.100 -0.028 0.000 1.090 23 R CB -0.058 30.228 30.300 -0.024 0.000 0.876 23 R HN 0.284 nan 8.270 nan 0.000 0.477 24 D N -1.300 119.083 120.400 -0.029 0.000 2.971 24 D HA 0.002 4.641 4.640 -0.002 0.000 0.221 24 D C 1.527 177.807 176.300 -0.033 0.000 1.406 24 D CA -0.297 53.687 54.000 -0.027 0.000 1.328 24 D CB 0.136 40.923 40.800 -0.022 0.000 1.369 24 D HN -0.144 nan 8.370 nan 0.000 0.364 25 M N 1.176 120.755 119.600 -0.034 0.000 2.331 25 M HA -0.158 4.321 4.480 -0.002 0.000 0.260 25 M C 0.575 176.845 176.300 -0.049 0.000 1.072 25 M CA 1.694 56.970 55.300 -0.040 0.000 1.065 25 M CB -0.516 32.061 32.600 -0.039 0.000 1.392 25 M HN 0.058 nan 8.290 nan 0.000 0.427 26 D N -1.772 118.599 120.400 -0.048 0.000 2.479 26 D HA -0.004 4.635 4.640 -0.002 0.000 0.216 26 D C 1.443 177.712 176.300 -0.052 0.000 1.110 26 D CA 0.176 54.143 54.000 -0.056 0.000 0.841 26 D CB 0.560 41.327 40.800 -0.056 0.000 1.040 26 D HN 0.087 nan 8.370 nan 0.000 0.505 27 E N -0.221 119.953 120.200 -0.043 0.000 2.190 27 E HA 0.116 4.465 4.350 -0.002 0.000 0.191 27 E C 1.629 178.207 176.600 -0.037 0.000 0.978 27 E CA 0.174 56.551 56.400 -0.038 0.000 0.839 27 E CB 0.121 29.803 29.700 -0.031 0.000 0.787 27 E HN 0.193 nan 8.360 nan 0.000 0.473 28 L N 0.673 121.874 121.223 -0.037 0.000 2.156 28 L HA -0.073 4.266 4.340 -0.002 0.000 0.208 28 L C 1.225 178.066 176.870 -0.047 0.000 1.095 28 L CA 1.228 56.046 54.840 -0.036 0.000 0.770 28 L CB 0.036 42.074 42.059 -0.034 0.000 0.914 28 L HN -0.111 nan 8.230 nan 0.000 0.439 29 K N 0.171 120.536 120.400 -0.058 0.000 2.664 29 K HA -0.110 4.209 4.320 -0.002 0.000 0.193 29 K C 1.324 177.884 176.600 -0.067 0.000 1.028 29 K CA 0.730 56.973 56.287 -0.072 0.000 1.005 29 K CB -0.235 32.215 32.500 -0.085 0.000 0.815 29 K HN 0.433 nan 8.250 nan 0.000 0.496 30 K N 0.325 120.693 120.400 -0.054 0.000 2.435 30 K HA 0.079 4.398 4.320 -0.002 0.000 0.199 30 K C -0.139 176.438 176.600 -0.038 0.000 1.153 30 K CA 0.027 56.284 56.287 -0.050 0.000 0.974 30 K CB 0.815 33.287 32.500 -0.047 0.000 0.997 30 K HN 0.185 nan 8.250 nan 0.000 0.547 31 E N 1.342 121.524 120.200 -0.030 0.000 2.349 31 E HA 0.128 4.477 4.350 -0.002 0.000 0.265 31 E C -0.389 176.201 176.600 -0.018 0.000 1.064 31 E CA -0.439 55.951 56.400 -0.017 0.000 0.886 31 E CB 1.624 31.319 29.700 -0.008 0.000 1.036 31 E HN -0.176 nan 8.360 nan 0.000 0.413 32 V N 2.021 121.932 119.914 -0.006 0.000 3.133 32 V HA 0.044 4.163 4.120 -0.002 0.000 0.305 32 V C 0.607 176.706 176.094 0.009 0.000 1.084 32 V CA -0.337 61.960 62.300 -0.006 0.000 1.089 32 V CB 1.316 33.142 31.823 0.005 0.000 1.073 32 V HN 0.820 nan 8.190 nan 0.000 0.477 33 S N 3.381 119.089 115.700 0.013 0.000 2.546 33 S HA 0.774 5.243 4.470 -0.002 0.000 0.265 33 S C -0.299 174.346 174.600 0.075 0.000 1.190 33 S CA -0.599 57.625 58.200 0.039 0.000 1.014 33 S CB 0.701 63.929 63.200 0.046 0.000 1.087 33 S HN 0.854 nan 8.310 nan 0.000 0.525 34 M N -0.332 119.337 119.600 0.115 0.000 2.490 34 M HA 0.660 5.139 4.480 -0.002 0.000 0.286 34 M C -2.268 174.137 176.300 0.175 0.000 1.185 34 M CA -0.532 54.849 55.300 0.136 0.000 0.912 34 M CB 0.887 33.559 32.600 0.119 0.000 1.744 34 M HN 0.559 nan 8.290 nan 0.000 0.494 35 D N 0.403 120.922 120.400 0.198 0.000 3.224 35 D HA 0.679 5.318 4.640 -0.002 0.000 0.268 35 D C -0.785 175.690 176.300 0.292 0.000 1.310 35 D CA 0.612 54.721 54.000 0.181 0.000 1.035 35 D CB 1.253 42.000 40.800 -0.089 0.000 1.293 35 D HN 0.828 nan 8.370 nan 0.000 0.630 36 D N -0.954 119.686 120.400 0.400 0.000 3.048 36 D HA -0.047 4.592 4.640 -0.002 0.000 0.290 36 D C 0.299 176.821 176.300 0.371 0.000 1.667 36 D CA -0.122 54.072 54.000 0.322 0.000 0.835 36 D CB -1.065 39.844 40.800 0.182 0.000 1.438 36 D HN 0.400 nan 8.370 nan 0.000 0.463 37 H N 0.428 119.550 119.070 0.087 0.000 2.556 37 H HA 0.259 4.814 4.556 -0.002 0.000 0.268 37 H C 0.857 176.350 175.328 0.275 0.000 0.996 37 H CA 0.050 56.158 56.048 0.100 0.000 1.157 37 H CB -0.052 29.708 29.762 -0.002 0.000 1.355 37 H HN 0.174 nan 8.280 nan 0.000 0.597 38 K N 0.770 121.199 120.400 0.049 0.000 2.379 38 K HA 0.200 4.519 4.320 -0.002 0.000 0.194 38 K C 0.540 177.171 176.600 0.052 0.000 1.031 38 K CA -0.148 56.203 56.287 0.108 0.000 1.037 38 K CB 0.663 33.175 32.500 0.020 0.000 0.824 38 K HN 0.188 nan 8.250 nan 0.000 0.516 39 L N 1.936 123.213 121.223 0.090 0.000 2.473 39 L HA -0.008 4.331 4.340 -0.002 0.000 0.268 39 L C 1.113 178.013 176.870 0.050 0.000 1.215 39 L CA -0.244 54.634 54.840 0.063 0.000 0.823 39 L CB 0.403 42.518 42.059 0.094 0.000 1.099 39 L HN 0.117 nan 8.230 nan 0.000 0.483 40 S N 0.774 116.489 115.700 0.026 0.000 2.686 40 S HA 0.277 4.746 4.470 -0.002 0.000 0.270 40 S C 0.762 175.388 174.600 0.044 0.000 1.194 40 S CA -0.720 57.490 58.200 0.018 0.000 0.990 40 S CB 0.895 64.093 63.200 -0.004 0.000 1.029 40 S HN 0.444 nan 8.310 nan 0.000 0.560 41 L N 0.602 121.847 121.223 0.036 0.000 2.275 41 L HA 0.077 4.416 4.340 -0.002 0.000 0.215 41 L C 2.189 179.100 176.870 0.068 0.000 1.119 41 L CA 1.491 56.364 54.840 0.055 0.000 0.790 41 L CB -0.517 41.567 42.059 0.041 0.000 0.919 41 L HN 0.813 nan 8.230 nan 0.000 0.443 42 D N -0.861 119.558 120.400 0.032 0.000 2.349 42 D HA -0.062 4.577 4.640 -0.002 0.000 0.214 42 D C 1.568 177.897 176.300 0.050 0.000 1.063 42 D CA 0.196 54.209 54.000 0.023 0.000 0.847 42 D CB 0.530 41.300 40.800 -0.048 0.000 0.933 42 D HN 0.420 nan 8.370 nan 0.000 0.513 43 E N -0.280 119.950 120.200 0.049 0.000 2.158 43 E HA -0.081 4.267 4.350 -0.002 0.000 0.191 43 E C 1.395 178.037 176.600 0.069 0.000 0.982 43 E CA 0.188 56.614 56.400 0.044 0.000 0.823 43 E CB 0.514 30.232 29.700 0.031 0.000 0.766 43 E HN 0.149 nan 8.360 nan 0.000 0.468 44 L N -0.211 121.086 121.223 0.122 0.000 1.851 44 L HA -0.097 4.242 4.340 -0.002 0.000 0.228 44 L C 1.802 178.794 176.870 0.204 0.000 1.095 44 L CA 1.926 56.885 54.840 0.197 0.000 1.147 44 L CB -1.251 40.952 42.059 0.241 0.000 1.019 44 L HN 0.157 nan 8.230 nan 0.000 0.580 45 H N -0.568 118.568 119.070 0.109 0.000 1.453 45 H HA -0.377 4.177 4.556 -0.002 0.000 0.090 45 H C 2.304 177.666 175.328 0.056 0.000 1.285 45 H CA 3.036 59.129 56.048 0.074 0.000 1.901 45 H CB -0.347 29.439 29.762 0.041 0.000 2.257 45 H HN 0.296 nan 8.280 nan 0.000 0.961 46 R N 0.303 120.947 120.500 0.240 0.000 2.171 46 R HA -0.255 4.084 4.340 -0.002 0.000 0.232 46 R C 2.418 178.712 176.300 -0.010 0.000 1.116 46 R CA 1.951 58.111 56.100 0.100 0.000 0.901 46 R CB -0.894 29.448 30.300 0.069 0.000 0.850 46 R HN 0.565 nan 8.270 nan 0.000 0.431 47 K N 0.133 120.488 120.400 -0.075 0.000 2.207 47 K HA -0.238 4.081 4.320 -0.002 0.000 0.208 47 K C 1.454 177.750 176.600 -0.508 0.000 1.046 47 K CA 2.098 58.202 56.287 -0.305 0.000 0.929 47 K CB -0.117 32.116 32.500 -0.445 0.000 0.720 47 K HN 0.337 nan 8.250 nan 0.000 0.463 48 Y N -2.303 117.985 120.300 -0.020 0.000 2.483 48 Y HA 0.268 4.817 4.550 -0.002 0.000 0.258 48 Y C 1.710 177.575 175.900 -0.059 0.000 1.083 48 Y CA 0.193 58.273 58.100 -0.035 0.000 1.283 48 Y CB 1.170 39.606 38.460 -0.040 0.000 1.178 48 Y HN 0.263 nan 8.280 nan 0.000 0.515 49 G N 0.229 109.045 108.800 0.027 0.000 2.253 49 G HA2 -0.352 3.607 3.960 -0.002 0.000 0.251 49 G HA3 -0.352 3.607 3.960 -0.002 0.000 0.251 49 G C 0.672 175.496 174.900 -0.128 0.000 0.998 49 G CA 0.430 45.491 45.100 -0.064 0.000 0.621 49 G HN 0.458 nan 8.290 nan 0.000 0.524 50 T N 0.844 115.364 114.554 -0.056 0.000 2.946 50 T HA 0.324 4.673 4.350 -0.002 0.000 0.312 50 T C 1.148 175.732 174.700 -0.193 0.000 1.066 50 T CA 0.914 62.964 62.100 -0.083 0.000 1.138 50 T CB 0.631 69.475 68.868 -0.041 0.000 1.014 50 T HN 0.354 nan 8.240 nan 0.000 0.544 51 D N 2.338 122.656 120.400 -0.136 0.000 1.681 51 D HA 0.096 4.735 4.640 -0.002 0.000 0.287 51 D C 1.332 177.614 176.300 -0.030 0.000 1.072 51 D CA 0.930 54.867 54.000 -0.105 0.000 0.940 51 D CB 0.088 40.873 40.800 -0.025 0.000 1.361 51 D HN 0.654 nan 8.370 nan 0.000 0.455 52 L N -1.922 119.313 121.223 0.021 0.000 1.298 52 L HA -0.166 4.173 4.340 -0.002 0.000 0.107 52 L C 1.995 178.883 176.870 0.031 0.000 1.382 52 L CA 0.811 55.673 54.840 0.036 0.000 1.213 52 L CB -1.062 41.052 42.059 0.092 0.000 2.496 52 L HN 0.346 nan 8.230 nan 0.000 0.468 53 S N 1.415 117.141 115.700 0.043 0.000 2.440 53 S HA -0.172 4.297 4.470 -0.002 0.000 0.238 53 S C 1.261 175.869 174.600 0.014 0.000 1.010 53 S CA 1.341 59.557 58.200 0.027 0.000 0.972 53 S CB -0.200 63.018 63.200 0.030 0.000 0.774 53 S HN 0.661 nan 8.310 nan 0.000 0.501 54 R N -0.753 119.754 120.500 0.010 0.000 2.451 54 R HA 0.428 4.767 4.340 -0.002 0.000 0.320 54 R C 0.785 177.080 176.300 -0.009 0.000 0.731 54 R CA -0.080 56.020 56.100 0.000 0.000 0.978 54 R CB -0.698 29.604 30.300 0.004 0.000 1.654 54 R HN 0.585 nan 8.270 nan 0.000 0.520 55 G N 1.402 110.192 108.800 -0.017 0.000 2.508 55 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.220 55 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.220 55 G C -0.836 174.044 174.900 -0.034 0.000 1.287 55 G CA -0.192 44.891 45.100 -0.028 0.000 0.916 55 G HN 0.057 nan 8.290 nan 0.000 0.574 56 L N 0.932 122.137 121.223 -0.031 0.000 2.544 56 L HA 0.668 5.007 4.340 -0.002 0.000 0.256 56 L C 1.568 178.427 176.870 -0.018 0.000 1.097 56 L CA 0.193 55.017 54.840 -0.026 0.000 0.812 56 L CB 0.733 42.779 42.059 -0.021 0.000 1.440 56 L HN 0.903 nan 8.230 nan 0.000 0.496 57 T N 0.180 114.726 114.554 -0.014 0.000 2.868 57 T HA 0.184 4.533 4.350 -0.002 0.000 0.292 57 T C -1.916 172.779 174.700 -0.007 0.000 1.028 57 T CA -0.918 61.177 62.100 -0.008 0.000 1.059 57 T CB 0.611 69.476 68.868 -0.005 0.000 0.991 57 T HN 0.514 nan 8.240 nan 0.000 0.531 58 P HA 0.085 nan 4.420 nan 0.000 0.227 58 P C 1.253 178.552 177.300 -0.002 0.000 1.161 58 P CA 0.464 63.561 63.100 -0.005 0.000 0.788 58 P CB -0.062 31.635 31.700 -0.004 0.000 0.822 59 A N 1.570 124.389 122.820 -0.001 0.000 1.929 59 A HA -0.128 4.191 4.320 -0.002 0.000 0.216 59 A C 2.291 179.876 177.584 0.003 0.000 1.176 59 A CA 1.381 53.419 52.037 0.001 0.000 0.628 59 A CB -1.072 17.929 19.000 0.001 0.000 0.816 59 A HN 0.214 nan 8.150 nan 0.000 0.444 60 R N -0.255 120.246 120.500 0.002 0.000 2.325 60 R HA 0.421 4.760 4.340 -0.002 0.000 0.214 60 R C 1.236 177.540 176.300 0.007 0.000 0.961 60 R CA 1.095 57.198 56.100 0.005 0.000 1.086 60 R CB -0.372 29.930 30.300 0.003 0.000 1.037 60 R HN 0.312 nan 8.270 nan 0.000 0.493 61 A N 0.998 123.820 122.820 0.004 0.000 1.974 61 A HA 0.350 4.669 4.320 -0.002 0.000 0.219 61 A C 2.274 179.863 177.584 0.008 0.000 1.479 61 A CA 0.503 52.542 52.037 0.004 0.000 0.615 61 A CB -1.243 17.756 19.000 -0.002 0.000 1.130 61 A HN 0.400 nan 8.150 nan 0.000 0.497 62 A N -0.450 122.374 122.820 0.006 0.000 2.148 62 A HA -0.233 4.086 4.320 -0.002 0.000 0.222 62 A C 1.897 179.488 177.584 0.011 0.000 1.161 62 A CA 2.004 54.046 52.037 0.008 0.000 0.662 62 A CB -0.602 18.402 19.000 0.006 0.000 0.799 62 A HN 0.696 nan 8.150 nan 0.000 0.466 63 E N -0.564 119.642 120.200 0.010 0.000 2.299 63 E HA 0.007 4.356 4.350 -0.002 0.000 0.193 63 E C 1.575 178.184 176.600 0.017 0.000 0.998 63 E CA 0.301 56.708 56.400 0.012 0.000 0.851 63 E CB -0.064 29.642 29.700 0.010 0.000 0.795 63 E HN 0.681 nan 8.360 nan 0.000 0.492 64 I N 1.178 121.760 120.570 0.019 0.000 3.059 64 I HA -0.146 4.023 4.170 -0.002 0.000 0.270 64 I C 2.290 178.424 176.117 0.028 0.000 1.238 64 I CA 0.064 61.381 61.300 0.027 0.000 1.478 64 I CB -0.023 37.997 38.000 0.033 0.000 1.097 64 I HN 0.268 nan 8.210 nan 0.000 0.455 65 L N 1.238 122.475 121.223 0.023 0.000 1.961 65 L HA -0.230 4.109 4.340 -0.002 0.000 0.210 65 L C 2.806 179.690 176.870 0.023 0.000 1.072 65 L CA 2.355 57.209 54.840 0.023 0.000 0.749 65 L CB -0.843 41.226 42.059 0.018 0.000 0.889 65 L HN 0.215 nan 8.230 nan 0.000 0.432 66 A N 0.065 122.896 122.820 0.019 0.000 1.859 66 A HA -0.325 3.994 4.320 -0.002 0.000 0.218 66 A C 2.433 180.030 177.584 0.021 0.000 1.209 66 A CA 2.377 54.425 52.037 0.018 0.000 0.639 66 A CB -0.939 18.070 19.000 0.014 0.000 0.835 66 A HN 0.503 nan 8.150 nan 0.000 0.450 67 R N -1.142 119.372 120.500 0.022 0.000 2.091 67 R HA -0.196 4.143 4.340 -0.002 0.000 0.238 67 R C 1.172 177.490 176.300 0.030 0.000 1.136 67 R CA 2.164 58.278 56.100 0.024 0.000 0.959 67 R CB -0.269 30.046 30.300 0.026 0.000 0.856 67 R HN 0.530 nan 8.270 nan 0.000 0.437 68 D N -1.748 118.674 120.400 0.036 0.000 2.379 68 D HA 0.173 4.812 4.640 -0.002 0.000 0.218 68 D C -0.143 176.182 176.300 0.042 0.000 1.006 68 D CA 1.201 55.228 54.000 0.045 0.000 0.893 68 D CB 0.887 41.723 40.800 0.060 0.000 1.019 68 D HN 0.447 nan 8.370 nan 0.000 0.503 69 G N 1.737 110.558 108.800 0.036 0.000 3.153 69 G HA2 -0.140 3.819 3.960 -0.002 0.000 0.686 69 G HA3 -0.140 3.819 3.960 -0.002 0.000 0.686 69 G C -2.354 172.569 174.900 0.038 0.000 0.995 69 G CA -0.953 44.167 45.100 0.033 0.000 0.783 69 G HN -0.026 nan 8.290 nan 0.000 0.551 70 P HA -0.128 nan 4.420 nan 0.000 0.271 70 P C 0.245 177.577 177.300 0.052 0.000 1.145 70 P CA 0.592 63.714 63.100 0.038 0.000 0.751 70 P CB 0.292 32.011 31.700 0.033 0.000 0.742 71 N N 1.757 120.492 118.700 0.057 0.000 2.406 71 N HA 0.511 5.250 4.740 -0.002 0.000 0.251 71 N C -0.836 174.736 175.510 0.102 0.000 1.069 71 N CA 0.380 53.481 53.050 0.084 0.000 0.947 71 N CB -0.098 38.429 38.487 0.066 0.000 1.111 71 N HN 0.551 nan 8.380 nan 0.000 0.497 72 A N 1.501 124.401 122.820 0.133 0.000 2.467 72 A HA 0.331 4.650 4.320 -0.002 0.000 0.302 72 A C -2.007 175.640 177.584 0.105 0.000 0.917 72 A CA -0.822 51.312 52.037 0.162 0.000 0.560 72 A CB -0.437 18.640 19.000 0.128 0.000 1.452 72 A HN 0.392 nan 8.150 nan 0.000 0.493 73 L N 0.270 121.547 121.223 0.090 0.000 2.344 73 L HA 0.842 5.181 4.340 -0.002 0.000 0.272 73 L C 0.591 177.473 176.870 0.020 0.000 1.035 73 L CA -0.224 54.634 54.840 0.030 0.000 0.807 73 L CB 1.465 43.519 42.059 -0.010 0.000 1.237 73 L HN 0.840 nan 8.230 nan 0.000 0.442 74 T N -1.015 113.537 114.554 -0.003 0.000 2.812 74 T HA 0.715 5.064 4.350 -0.002 0.000 0.282 74 T C -2.601 172.086 174.700 -0.022 0.000 0.990 74 T CA -1.592 60.506 62.100 -0.004 0.000 0.960 74 T CB 1.303 70.170 68.868 -0.001 0.000 0.948 74 T HN 0.326 nan 8.240 nan 0.000 0.438 75 P HA 0.459 nan 4.420 nan 0.000 0.277 75 P C -2.502 174.781 177.300 -0.029 0.000 1.240 75 P CA -1.455 61.627 63.100 -0.030 0.000 0.798 75 P CB -0.507 31.184 31.700 -0.016 0.000 0.979 76 P HA 0.259 nan 4.420 nan 0.000 0.269 76 P C -2.311 174.977 177.300 -0.020 0.000 1.215 76 P CA -0.883 62.197 63.100 -0.034 0.000 0.780 76 P CB -1.025 30.648 31.700 -0.044 0.000 0.898 77 P HA 0.202 nan 4.420 nan 0.000 0.272 77 P C -0.712 176.590 177.300 0.003 0.000 1.240 77 P CA -0.239 62.859 63.100 -0.003 0.000 0.791 77 P CB 0.245 31.943 31.700 -0.002 0.000 0.978 78 T N -2.772 111.791 114.554 0.015 0.000 2.791 78 T HA 0.405 4.754 4.350 -0.002 0.000 0.288 78 T C -0.216 174.511 174.700 0.045 0.000 0.999 78 T CA -0.859 61.256 62.100 0.025 0.000 0.952 78 T CB -0.081 68.803 68.868 0.027 0.000 0.938 78 T HN 0.390 nan 8.240 nan 0.000 0.444 79 T N 3.309 117.892 114.554 0.048 0.000 2.769 79 T HA 0.347 4.696 4.350 -0.002 0.000 0.293 79 T C -2.074 172.691 174.700 0.108 0.000 0.931 79 T CA -1.093 61.052 62.100 0.075 0.000 1.139 79 T CB -0.218 68.689 68.868 0.065 0.000 0.881 79 T HN 0.350 nan 8.240 nan 0.000 0.532 80 P HA 0.196 nan 4.420 nan 0.000 0.306 80 P C 0.828 178.225 177.300 0.162 0.000 1.301 80 P CA -0.436 62.766 63.100 0.171 0.000 0.744 80 P CB 0.492 32.367 31.700 0.292 0.000 1.400 81 E N -1.800 118.451 120.200 0.085 0.000 2.444 81 E HA 0.041 4.390 4.350 -0.002 0.000 0.191 81 E C 0.865 177.436 176.600 -0.047 0.000 1.041 81 E CA 0.157 56.567 56.400 0.017 0.000 0.883 81 E CB -0.392 29.271 29.700 -0.062 0.000 1.024 81 E HN 0.422 nan 8.360 nan 0.000 0.470 82 W N 0.434 121.787 121.300 0.088 0.000 1.663 82 W HA -0.067 4.592 4.660 -0.002 0.000 0.305 82 W C 2.208 178.805 176.519 0.130 0.000 0.821 82 W CA -0.037 57.373 57.345 0.108 0.000 1.026 82 W CB -1.208 28.294 29.460 0.070 0.000 1.297 82 W HN -0.244 nan 8.180 nan 0.000 0.535 83 V N 1.206 121.369 119.914 0.415 0.000 2.285 83 V HA -0.501 3.618 4.120 -0.002 0.000 0.259 83 V C 2.199 178.425 176.094 0.221 0.000 1.088 83 V CA 2.779 65.219 62.300 0.233 0.000 1.098 83 V CB -1.164 30.750 31.823 0.152 0.000 0.738 83 V HN 0.340 nan 8.190 nan 0.000 0.461 84 K N -1.977 118.563 120.400 0.234 0.000 2.293 84 K HA -0.242 4.077 4.320 -0.002 0.000 0.204 84 K C 1.848 178.666 176.600 0.362 0.000 1.045 84 K CA 1.998 58.444 56.287 0.264 0.000 0.933 84 K CB -0.209 32.450 32.500 0.267 0.000 0.736 84 K HN 0.545 nan 8.250 nan 0.000 0.463 85 F N 0.323 120.312 119.950 0.065 0.000 2.208 85 F HA -0.082 4.444 4.527 -0.002 0.000 0.282 85 F C 2.089 177.902 175.800 0.021 0.000 1.071 85 F CA 0.359 58.281 58.000 -0.131 0.000 1.228 85 F CB -0.836 38.018 39.000 -0.243 0.000 1.088 85 F HN -0.025 nan 8.300 nan 0.000 0.512 86 C N 2.298 121.609 119.300 0.019 0.000 2.425 86 C HA -0.110 4.349 4.460 -0.002 0.000 0.277 86 C C 2.518 177.576 174.990 0.113 0.000 1.280 86 C CA 0.524 59.505 59.018 -0.061 0.000 1.744 86 C CB -1.387 26.398 27.740 0.074 0.000 1.989 86 C HN 0.381 nan 8.230 nan 0.000 0.491 87 R N 1.189 121.747 120.500 0.097 0.000 2.332 87 R HA -0.153 4.186 4.340 -0.002 0.000 0.239 87 R C 1.842 178.233 176.300 0.152 0.000 1.160 87 R CA 0.943 57.078 56.100 0.058 0.000 1.020 87 R CB -0.470 29.854 30.300 0.039 0.000 0.859 87 R HN 0.632 nan 8.270 nan 0.000 0.478 88 Q N 0.448 120.350 119.800 0.169 0.000 2.123 88 Q HA 0.085 4.424 4.340 -0.002 0.000 0.196 88 Q C 1.793 177.913 176.000 0.200 0.000 0.958 88 Q CA 0.693 56.605 55.803 0.182 0.000 0.841 88 Q CB -0.051 28.804 28.738 0.195 0.000 0.915 88 Q HN 0.358 nan 8.270 nan 0.000 0.455 89 L N 0.503 121.825 121.223 0.165 0.000 2.949 89 L HA 0.014 4.353 4.340 -0.002 0.000 0.263 89 L C 0.083 176.904 176.870 -0.081 0.000 1.190 89 L CA 0.409 55.303 54.840 0.091 0.000 1.022 89 L CB -0.821 41.232 42.059 -0.009 0.000 1.313 89 L HN 0.081 nan 8.230 nan 0.000 0.413 90 F N -1.531 118.467 119.950 0.080 0.000 2.875 90 F HA 0.226 4.752 4.527 -0.002 0.000 0.334 90 F C 1.482 177.330 175.800 0.079 0.000 1.228 90 F CA -0.717 57.323 58.000 0.067 0.000 1.094 90 F CB 0.409 39.397 39.000 -0.020 0.000 1.239 90 F HN -0.006 nan 8.300 nan 0.000 0.509 91 G N 0.772 109.711 108.800 0.230 0.000 2.734 91 G HA2 0.377 4.336 3.960 -0.002 0.000 0.287 91 G HA3 0.377 4.336 3.960 -0.002 0.000 0.287 91 G C 1.027 175.987 174.900 0.101 0.000 0.728 91 G CA 0.702 45.887 45.100 0.142 0.000 1.999 91 G HN 0.663 nan 8.290 nan 0.000 0.535 92 G N 2.496 111.369 108.800 0.123 0.000 3.581 92 G HA2 -0.424 3.535 3.960 -0.002 0.000 0.336 92 G HA3 -0.424 3.535 3.960 -0.002 0.000 0.336 92 G C 1.162 176.234 174.900 0.287 0.000 1.259 92 G CA 0.786 45.963 45.100 0.129 0.000 1.001 92 G HN 0.479 nan 8.290 nan 0.000 0.662 93 F N 2.600 122.617 119.950 0.112 0.000 2.494 93 F HA 0.090 4.616 4.527 -0.002 0.000 0.298 93 F C 2.893 178.725 175.800 0.053 0.000 1.106 93 F CA 1.342 59.383 58.000 0.069 0.000 1.452 93 F CB -0.723 38.311 39.000 0.056 0.000 1.085 93 F HN 0.229 nan 8.300 nan 0.000 0.569 94 S N -0.832 115.029 115.700 0.268 0.000 2.527 94 S HA -0.036 4.433 4.470 -0.002 0.000 0.222 94 S C 2.102 176.868 174.600 0.277 0.000 0.985 94 S CA 0.283 58.615 58.200 0.220 0.000 0.921 94 S CB 0.010 63.333 63.200 0.204 0.000 0.772 94 S HN 0.137 nan 8.310 nan 0.000 0.529 95 M N 1.203 120.928 119.600 0.209 0.000 2.081 95 M HA 0.105 4.583 4.480 -0.002 0.000 0.261 95 M C 1.991 178.374 176.300 0.139 0.000 1.075 95 M CA 1.333 56.730 55.300 0.162 0.000 1.133 95 M CB -1.570 31.102 32.600 0.119 0.000 1.330 95 M HN 0.273 nan 8.290 nan 0.000 0.414 96 L N 0.028 121.304 121.223 0.089 0.000 1.978 96 L HA -0.276 4.063 4.340 -0.002 0.000 0.218 96 L C 2.436 179.293 176.870 -0.022 0.000 1.075 96 L CA 1.267 56.109 54.840 0.004 0.000 0.767 96 L CB -0.882 41.149 42.059 -0.046 0.000 0.890 96 L HN 0.284 nan 8.230 nan 0.000 0.434 97 L N -2.111 119.101 121.223 -0.018 0.000 2.261 97 L HA -0.255 4.084 4.340 -0.002 0.000 0.216 97 L C 2.233 179.030 176.870 -0.122 0.000 1.114 97 L CA 1.495 56.275 54.840 -0.100 0.000 0.777 97 L CB -0.445 41.540 42.059 -0.124 0.000 0.910 97 L HN 0.459 nan 8.230 nan 0.000 0.440 98 W N -0.115 121.123 121.300 -0.103 0.000 2.481 98 W HA -0.025 4.634 4.660 -0.002 0.000 0.293 98 W C 2.351 178.817 176.519 -0.088 0.000 1.201 98 W CA 0.436 57.712 57.345 -0.116 0.000 1.328 98 W CB 0.178 29.532 29.460 -0.176 0.000 1.112 98 W HN -0.060 nan 8.180 nan 0.000 0.546 99 I N -0.344 120.324 120.570 0.164 0.000 2.761 99 I HA -0.023 4.145 4.170 -0.002 0.000 0.261 99 I C 2.456 178.571 176.117 -0.003 0.000 1.198 99 I CA 1.149 62.490 61.300 0.069 0.000 1.482 99 I CB -1.272 36.731 38.000 0.006 0.000 1.100 99 I HN 0.039 nan 8.210 nan 0.000 0.445 100 G N 1.193 109.963 108.800 -0.051 0.000 2.408 100 G HA2 -0.164 3.795 3.960 -0.002 0.000 0.217 100 G HA3 -0.164 3.795 3.960 -0.002 0.000 0.217 100 G C 1.724 176.575 174.900 -0.082 0.000 1.150 100 G CA 0.802 45.836 45.100 -0.110 0.000 0.776 100 G HN 0.484 nan 8.290 nan 0.000 0.542 101 A N -0.427 122.364 122.820 -0.048 0.000 2.218 101 A HA 0.451 4.770 4.320 -0.002 0.000 0.209 101 A C 2.083 179.772 177.584 0.175 0.000 1.168 101 A CA 0.231 52.258 52.037 -0.017 0.000 0.804 101 A CB -0.076 18.877 19.000 -0.080 0.000 0.834 101 A HN 0.382 nan 8.150 nan 0.000 0.482 102 I N -1.357 119.316 120.570 0.172 0.000 2.385 102 I HA -0.071 4.098 4.170 -0.002 0.000 0.244 102 I C 1.973 178.180 176.117 0.152 0.000 1.089 102 I CA 0.586 62.018 61.300 0.221 0.000 1.410 102 I CB 0.084 38.186 38.000 0.169 0.000 1.117 102 I HN 0.239 nan 8.210 nan 0.000 0.429 103 L N 0.564 121.820 121.223 0.056 0.000 2.197 103 L HA -0.318 4.021 4.340 -0.002 0.000 0.215 103 L C 2.524 179.411 176.870 0.028 0.000 1.095 103 L CA 1.650 56.500 54.840 0.016 0.000 0.764 103 L CB -0.965 41.064 42.059 -0.051 0.000 0.897 103 L HN 0.428 nan 8.230 nan 0.000 0.436 104 C N -1.890 117.410 119.300 0.000 0.000 2.453 104 C HA -0.142 4.316 4.460 -0.002 0.000 0.277 104 C C 2.550 177.508 174.990 -0.053 0.000 1.262 104 C CA 0.262 59.235 59.018 -0.075 0.000 1.718 104 C CB -0.956 26.660 27.740 -0.208 0.000 2.031 104 C HN 0.459 nan 8.230 nan 0.000 0.480 105 F N 0.374 120.344 119.950 0.035 0.000 2.365 105 F HA -0.009 4.517 4.527 -0.002 0.000 0.300 105 F C 1.764 177.627 175.800 0.105 0.000 1.090 105 F CA 0.688 58.728 58.000 0.067 0.000 1.408 105 F CB -0.681 38.341 39.000 0.037 0.000 1.060 105 F HN 0.152 nan 8.300 nan 0.000 0.534 106 L N -0.103 121.258 121.223 0.231 0.000 1.941 106 L HA 0.082 4.421 4.340 -0.002 0.000 0.231 106 L C 2.389 179.348 176.870 0.148 0.000 1.087 106 L CA 1.560 56.493 54.840 0.154 0.000 1.668 106 L CB -1.301 40.811 42.059 0.089 0.000 1.374 106 L HN 0.115 nan 8.230 nan 0.000 0.780 107 A N -0.916 121.968 122.820 0.106 0.000 2.018 107 A HA -0.504 3.815 4.320 -0.002 0.000 0.316 107 A C 2.057 179.716 177.584 0.125 0.000 4.379 107 A CA 3.444 55.546 52.037 0.109 0.000 1.023 107 A CB -2.283 16.775 19.000 0.097 0.000 0.534 107 A HN 0.962 nan 8.150 nan 0.000 0.453 108 Y N 0.803 121.121 120.300 0.031 0.000 2.073 108 Y HA -0.269 4.280 4.550 -0.002 0.000 0.270 108 Y C 2.518 178.454 175.900 0.061 0.000 1.226 108 Y CA 2.728 60.846 58.100 0.031 0.000 1.117 108 Y CB -1.141 37.309 38.460 -0.017 0.000 0.939 108 Y HN 0.523 nan 8.280 nan 0.000 0.504 109 G N 1.230 110.036 108.800 0.010 0.000 2.631 109 G HA2 -0.349 3.610 3.960 -0.002 0.000 0.219 109 G HA3 -0.349 3.610 3.960 -0.002 0.000 0.219 109 G C 1.709 176.544 174.900 -0.108 0.000 1.214 109 G CA 1.484 46.540 45.100 -0.072 0.000 0.785 109 G HN 0.505 nan 8.290 nan 0.000 0.596 110 I N 1.147 121.712 120.570 -0.008 0.000 2.182 110 I HA -0.269 3.900 4.170 -0.002 0.000 0.248 110 I C 2.753 178.858 176.117 -0.020 0.000 1.073 110 I CA 1.856 63.169 61.300 0.022 0.000 1.335 110 I CB -0.760 37.290 38.000 0.083 0.000 1.031 110 I HN 0.429 nan 8.210 nan 0.000 0.420 111 Q N -0.435 119.315 119.800 -0.082 0.000 2.451 111 Q HA 0.122 4.461 4.340 -0.002 0.000 0.206 111 Q C 1.228 177.122 176.000 -0.177 0.000 0.947 111 Q CA 0.584 56.336 55.803 -0.086 0.000 0.937 111 Q CB 0.080 28.791 28.738 -0.045 0.000 1.025 111 Q HN 0.465 nan 8.270 nan 0.000 0.511 112 A N 0.003 122.646 122.820 -0.297 0.000 3.012 112 A HA 0.595 4.914 4.320 -0.002 0.000 0.295 112 A C 0.910 178.430 177.584 -0.106 0.000 1.338 112 A CA 0.410 52.295 52.037 -0.254 0.000 0.981 112 A CB -0.003 18.751 19.000 -0.410 0.000 1.091 112 A HN 0.259 nan 8.150 nan 0.000 0.602 113 A N -1.329 121.457 122.820 -0.056 0.000 2.212 113 A HA 0.322 4.641 4.320 -0.002 0.000 0.169 113 A C 1.098 178.689 177.584 0.013 0.000 1.802 113 A CA 1.011 53.041 52.037 -0.011 0.000 1.344 113 A CB -0.045 18.956 19.000 0.002 0.000 1.566 113 A HN 0.415 nan 8.150 nan 0.000 0.419 114 T N 0.529 115.095 114.554 0.020 0.000 2.893 114 T HA 0.390 4.739 4.350 -0.002 0.000 0.281 114 T C -0.354 174.380 174.700 0.057 0.000 1.027 114 T CA -0.633 61.495 62.100 0.046 0.000 0.953 114 T CB -0.050 68.856 68.868 0.065 0.000 1.434 114 T HN 0.325 nan 8.240 nan 0.000 0.597 115 E N 1.947 122.202 120.200 0.091 0.000 3.089 115 E HA -0.116 4.233 4.350 -0.002 0.000 0.226 115 E C -0.314 176.357 176.600 0.119 0.000 1.083 115 E CA 0.242 56.722 56.400 0.132 0.000 0.938 115 E CB -0.516 29.324 29.700 0.234 0.000 0.942 115 E HN 0.436 nan 8.360 nan 0.000 0.549 116 E N 3.071 123.326 120.200 0.091 0.000 3.127 116 E HA -0.215 4.134 4.350 -0.002 0.000 0.299 116 E C -0.321 176.324 176.600 0.075 0.000 0.757 116 E CA 1.051 57.495 56.400 0.073 0.000 1.106 116 E CB -0.188 29.558 29.700 0.076 0.000 0.714 116 E HN 0.512 nan 8.360 nan 0.000 0.498 117 E N 3.722 123.953 120.200 0.051 0.000 3.588 117 E HA 0.159 4.508 4.350 -0.002 0.000 0.213 117 E C -2.133 174.517 176.600 0.084 0.000 1.168 117 E CA -1.560 54.876 56.400 0.060 0.000 1.254 117 E CB 0.605 30.338 29.700 0.054 0.000 1.302 117 E HN 0.181 nan 8.360 nan 0.000 0.429 118 P HA -0.088 nan 4.420 nan 0.000 0.290 118 P C -0.370 177.040 177.300 0.183 0.000 1.584 118 P CA 0.463 63.651 63.100 0.148 0.000 0.813 118 P CB -0.243 31.527 31.700 0.116 0.000 1.775 119 Q N 0.513 120.430 119.800 0.194 0.000 2.304 119 Q HA 0.082 4.421 4.340 -0.002 0.000 0.260 119 Q C 1.191 177.336 176.000 0.242 0.000 0.965 119 Q CA -0.321 55.594 55.803 0.188 0.000 0.898 119 Q CB 0.554 29.391 28.738 0.165 0.000 1.196 119 Q HN 0.109 nan 8.270 nan 0.000 0.402 120 N N 2.320 121.144 118.700 0.206 0.000 2.137 120 N HA -0.190 4.549 4.740 -0.002 0.000 0.190 120 N C 0.345 176.040 175.510 0.308 0.000 1.017 120 N CA 0.945 54.181 53.050 0.310 0.000 0.859 120 N CB -0.114 38.430 38.487 0.094 0.000 1.002 120 N HN 0.603 nan 8.380 nan 0.000 0.428 121 D N 0.955 121.451 120.400 0.161 0.000 1.641 121 D HA -0.202 4.437 4.640 -0.002 0.000 0.538 121 D C 1.548 177.906 176.300 0.098 0.000 1.443 121 D CA 1.041 55.105 54.000 0.106 0.000 1.440 121 D CB -0.569 40.298 40.800 0.112 0.000 2.239 121 D HN 0.114 nan 8.370 nan 0.000 0.679 122 N N -0.111 118.635 118.700 0.076 0.000 2.089 122 N HA -0.213 4.526 4.740 -0.002 0.000 0.198 122 N C 1.992 177.409 175.510 -0.154 0.000 1.017 122 N CA 0.850 53.897 53.050 -0.005 0.000 0.880 122 N CB -0.723 37.796 38.487 0.053 0.000 1.042 122 N HN 0.318 nan 8.380 nan 0.000 0.446 123 L N 0.029 121.096 121.223 -0.260 0.000 2.089 123 L HA -0.258 4.081 4.340 -0.002 0.000 0.213 123 L C 1.959 178.481 176.870 -0.580 0.000 1.079 123 L CA 1.560 55.997 54.840 -0.672 0.000 0.758 123 L CB -0.357 41.035 42.059 -1.111 0.000 0.891 123 L HN 0.142 nan 8.230 nan 0.000 0.433 124 Y N -1.210 118.896 120.300 -0.323 0.000 2.163 124 Y HA -0.235 4.314 4.550 -0.002 0.000 0.288 124 Y C 2.276 178.024 175.900 -0.252 0.000 1.136 124 Y CA 1.556 59.511 58.100 -0.242 0.000 1.147 124 Y CB -0.426 37.936 38.460 -0.163 0.000 0.987 124 Y HN 0.108 nan 8.280 nan 0.000 0.509 125 L N -0.210 120.960 121.223 -0.087 0.000 2.189 125 L HA -0.193 4.145 4.340 -0.002 0.000 0.214 125 L C 2.398 179.124 176.870 -0.240 0.000 1.097 125 L CA 1.871 56.622 54.840 -0.147 0.000 0.764 125 L CB -0.919 41.060 42.059 -0.134 0.000 0.900 125 L HN 0.292 nan 8.230 nan 0.000 0.436 126 G N -1.767 106.781 108.800 -0.421 0.000 2.404 126 G HA2 -0.173 3.786 3.960 -0.002 0.000 0.214 126 G HA3 -0.173 3.786 3.960 -0.002 0.000 0.214 126 G C 1.551 176.273 174.900 -0.297 0.000 1.189 126 G CA 0.810 45.553 45.100 -0.595 0.000 0.789 126 G HN 0.226 nan 8.290 nan 0.000 0.533 127 V N 0.465 120.205 119.914 -0.291 0.000 2.295 127 V HA -0.162 3.957 4.120 -0.002 0.000 0.246 127 V C 2.983 179.022 176.094 -0.092 0.000 1.049 127 V CA 1.376 63.632 62.300 -0.073 0.000 1.024 127 V CB -0.351 31.410 31.823 -0.103 0.000 0.648 127 V HN 0.224 nan 8.190 nan 0.000 0.447 128 V N -0.175 119.676 119.914 -0.105 0.000 2.221 128 V HA -0.324 3.795 4.120 -0.002 0.000 0.244 128 V C 2.334 178.346 176.094 -0.137 0.000 1.043 128 V CA 2.431 64.676 62.300 -0.093 0.000 0.996 128 V CB -0.690 31.086 31.823 -0.078 0.000 0.636 128 V HN 0.407 nan 8.190 nan 0.000 0.454 129 L N 0.734 121.858 121.223 -0.164 0.000 2.011 129 L HA -0.338 4.001 4.340 -0.002 0.000 0.225 129 L C 2.830 179.537 176.870 -0.271 0.000 1.084 129 L CA 2.652 57.369 54.840 -0.205 0.000 0.791 129 L CB -1.153 40.783 42.059 -0.205 0.000 0.898 129 L HN 0.705 nan 8.230 nan 0.000 0.440 130 S N -0.063 115.469 115.700 -0.280 0.000 2.378 130 S HA -0.328 4.141 4.470 -0.002 0.000 0.229 130 S C 2.118 176.491 174.600 -0.378 0.000 1.052 130 S CA 1.463 59.402 58.200 -0.436 0.000 1.084 130 S CB -0.892 62.151 63.200 -0.261 0.000 0.950 130 S HN 0.458 nan 8.310 nan 0.000 0.440 131 A N 2.051 124.744 122.820 -0.211 0.000 1.859 131 A HA -0.106 4.213 4.320 -0.002 0.000 0.218 131 A C 2.537 180.022 177.584 -0.164 0.000 1.209 131 A CA 2.493 54.441 52.037 -0.147 0.000 0.639 131 A CB -1.620 17.327 19.000 -0.089 0.000 0.835 131 A HN 0.684 nan 8.150 nan 0.000 0.450 132 V N -0.732 119.078 119.914 -0.173 0.000 2.439 132 V HA -0.263 3.856 4.120 -0.002 0.000 0.253 132 V C 2.441 178.424 176.094 -0.186 0.000 1.074 132 V CA 2.034 64.235 62.300 -0.165 0.000 1.076 132 V CB -0.947 30.778 31.823 -0.164 0.000 0.664 132 V HN 0.393 nan 8.190 nan 0.000 0.461 133 V N -0.838 118.900 119.914 -0.294 0.000 2.515 133 V HA -0.179 3.940 4.120 -0.002 0.000 0.250 133 V C 1.997 177.964 176.094 -0.212 0.000 1.058 133 V CA 1.711 63.805 62.300 -0.343 0.000 1.064 133 V CB -0.030 31.317 31.823 -0.792 0.000 0.675 133 V HN 0.410 nan 8.190 nan 0.000 0.461 134 I N -0.755 119.698 120.570 -0.195 0.000 2.146 134 I HA -0.201 3.968 4.170 -0.002 0.000 0.231 134 I C 2.309 178.458 176.117 0.054 0.000 1.063 134 I CA 1.806 63.069 61.300 -0.062 0.000 1.340 134 I CB -0.466 37.513 38.000 -0.035 0.000 1.100 134 I HN 0.176 nan 8.210 nan 0.000 0.403 135 I N 0.780 121.380 120.570 0.049 0.000 2.188 135 I HA -0.465 3.703 4.170 -0.002 0.000 0.246 135 I C 2.516 178.679 176.117 0.077 0.000 1.033 135 I CA 2.077 63.421 61.300 0.074 0.000 1.307 135 I CB -0.653 37.332 38.000 -0.025 0.000 1.005 135 I HN 0.398 nan 8.210 nan 0.000 0.421 136 T N 0.030 114.581 114.554 -0.005 0.000 2.833 136 T HA -0.105 4.244 4.350 -0.002 0.000 0.269 136 T C 1.661 176.460 174.700 0.164 0.000 1.054 136 T CA 1.388 63.493 62.100 0.009 0.000 1.135 136 T CB -0.448 68.411 68.868 -0.014 0.000 0.869 136 T HN 0.653 nan 8.240 nan 0.000 0.466 137 G N 0.401 109.306 108.800 0.176 0.000 2.414 137 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.215 137 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.215 137 G C 1.852 177.015 174.900 0.438 0.000 1.188 137 G CA 1.025 46.271 45.100 0.244 0.000 0.783 137 G HN 0.550 nan 8.290 nan 0.000 0.537 138 C N 0.227 119.850 119.300 0.539 0.000 2.323 138 C HA -0.215 4.244 4.460 -0.002 0.000 0.276 138 C C 2.364 177.677 174.990 0.539 0.000 1.151 138 C CA 1.042 60.390 59.018 0.551 0.000 1.789 138 C CB -1.659 26.322 27.740 0.402 0.000 1.921 138 C HN 0.435 nan 8.230 nan 0.000 0.417 139 F N 1.929 122.012 119.950 0.222 0.000 2.065 139 F HA -0.303 4.223 4.527 -0.002 0.000 0.286 139 F C 2.315 178.244 175.800 0.214 0.000 1.072 139 F CA 2.248 60.346 58.000 0.164 0.000 1.288 139 F CB -0.582 38.480 39.000 0.103 0.000 0.963 139 F HN 0.407 nan 8.300 nan 0.000 0.496 140 S N -1.973 113.971 115.700 0.406 0.000 2.704 140 S HA 0.185 4.654 4.470 -0.002 0.000 0.241 140 S C 0.026 174.828 174.600 0.337 0.000 1.264 140 S CA -0.126 58.249 58.200 0.292 0.000 1.236 140 S CB -0.325 63.006 63.200 0.218 0.000 0.928 140 S HN 0.599 nan 8.310 nan 0.000 0.492 141 Y N 0.250 120.674 120.300 0.208 0.000 2.840 141 Y HA 0.266 4.815 4.550 -0.002 0.000 0.252 141 Y C 0.694 176.676 175.900 0.136 0.000 1.150 141 Y CA -0.556 57.660 58.100 0.192 0.000 1.193 141 Y CB -0.225 38.410 38.460 0.292 0.000 1.386 141 Y HN 0.295 nan 8.280 nan 0.000 0.483 142 Y N 3.510 123.661 120.300 -0.248 0.000 2.627 142 Y HA 0.085 4.634 4.550 -0.002 0.000 0.360 142 Y C 1.513 177.296 175.900 -0.196 0.000 1.194 142 Y CA 1.456 59.365 58.100 -0.318 0.000 1.283 142 Y CB -0.277 38.075 38.460 -0.179 0.000 1.229 142 Y HN 0.579 nan 8.280 nan 0.000 0.476 143 Q N -0.433 119.303 119.800 -0.106 0.000 2.361 143 Q HA 0.063 4.402 4.340 -0.002 0.000 0.182 143 Q C 0.396 176.324 176.000 -0.119 0.000 0.650 143 Q CA -0.047 55.711 55.803 -0.074 0.000 0.842 143 Q CB 0.263 29.035 28.738 0.057 0.000 1.211 143 Q HN 0.354 nan 8.270 nan 0.000 0.502 144 E N 1.932 122.097 120.200 -0.059 0.000 2.773 144 E HA 0.285 4.633 4.350 -0.002 0.000 0.302 144 E C -0.570 175.968 176.600 -0.104 0.000 1.574 144 E CA 0.227 56.598 56.400 -0.049 0.000 1.775 144 E CB 0.284 29.999 29.700 0.025 0.000 1.413 144 E HN 0.364 nan 8.360 nan 0.000 0.471 145 A N 1.739 124.442 122.820 -0.196 0.000 2.256 145 A HA 0.556 4.875 4.320 -0.002 0.000 0.318 145 A C 0.414 177.904 177.584 -0.156 0.000 1.103 145 A CA -0.639 51.257 52.037 -0.234 0.000 0.860 145 A CB 0.578 19.360 19.000 -0.364 0.000 1.182 145 A HN 0.365 nan 8.150 nan 0.000 0.501 146 K N -0.436 119.886 120.400 -0.131 0.000 3.148 146 K HA 0.053 4.372 4.320 -0.002 0.000 0.107 146 K C -0.269 176.289 176.600 -0.069 0.000 0.961 146 K CA 0.268 56.500 56.287 -0.091 0.000 1.018 146 K CB -1.089 31.370 32.500 -0.068 0.000 0.730 146 K HN 0.401 nan 8.250 nan 0.000 0.340 147 S N 1.602 117.258 115.700 -0.074 0.000 2.560 147 S HA 0.051 4.520 4.470 -0.002 0.000 0.323 147 S C 0.032 174.604 174.600 -0.046 0.000 1.191 147 S CA 0.001 58.171 58.200 -0.051 0.000 1.231 147 S CB 0.159 63.329 63.200 -0.051 0.000 1.224 147 S HN 0.375 nan 8.310 nan 0.000 0.545 148 S N 5.104 120.781 115.700 -0.039 0.000 2.891 148 S HA 0.305 4.774 4.470 -0.002 0.000 0.186 148 S C -0.020 174.561 174.600 -0.031 0.000 1.401 148 S CA -0.773 57.404 58.200 -0.039 0.000 1.035 148 S CB -0.266 62.907 63.200 -0.045 0.000 1.293 148 S HN 0.719 nan 8.310 nan 0.000 0.493 149 K N 3.589 123.976 120.400 -0.022 0.000 2.034 149 K HA 0.185 4.504 4.320 -0.002 0.000 0.225 149 K C 0.858 177.456 176.600 -0.003 0.000 1.190 149 K CA 0.029 56.309 56.287 -0.012 0.000 1.152 149 K CB -0.009 32.487 32.500 -0.006 0.000 1.300 149 K HN 0.623 nan 8.250 nan 0.000 0.268 150 I N 1.015 121.575 120.570 -0.016 0.000 2.385 150 I HA -0.192 3.977 4.170 -0.002 0.000 0.244 150 I C 1.981 178.108 176.117 0.017 0.000 1.089 150 I CA 0.809 62.105 61.300 -0.007 0.000 1.410 150 I CB 0.149 38.110 38.000 -0.065 0.000 1.117 150 I HN 0.548 nan 8.210 nan 0.000 0.429 151 M N 0.642 120.223 119.600 -0.032 0.000 2.229 151 M HA -0.169 4.310 4.480 -0.002 0.000 0.264 151 M C 1.231 177.565 176.300 0.056 0.000 1.063 151 M CA 1.636 56.930 55.300 -0.010 0.000 1.114 151 M CB -0.199 32.371 32.600 -0.049 0.000 1.387 151 M HN 0.022 nan 8.290 nan 0.000 0.420 152 E N -0.995 119.228 120.200 0.037 0.000 2.379 152 E HA -0.024 4.325 4.350 -0.002 0.000 0.209 152 E C 0.906 177.542 176.600 0.060 0.000 1.284 152 E CA -0.161 56.266 56.400 0.045 0.000 1.333 152 E CB -0.063 29.652 29.700 0.025 0.000 1.307 152 E HN 0.330 nan 8.360 nan 0.000 0.441 153 S N -1.366 114.397 115.700 0.104 0.000 3.171 153 S HA 0.149 4.618 4.470 -0.002 0.000 0.258 153 S C 1.102 175.797 174.600 0.159 0.000 1.083 153 S CA -0.473 57.797 58.200 0.117 0.000 0.801 153 S CB 0.005 63.280 63.200 0.125 0.000 0.831 153 S HN 0.307 nan 8.310 nan 0.000 0.462 154 F N 2.518 122.455 119.950 -0.022 0.000 2.075 154 F HA 0.068 4.594 4.527 -0.002 0.000 0.297 154 F C 2.328 178.135 175.800 0.011 0.000 1.113 154 F CA 1.364 59.346 58.000 -0.029 0.000 1.218 154 F CB -0.038 38.912 39.000 -0.084 0.000 0.984 154 F HN 0.094 nan 8.300 nan 0.000 0.472 155 K N 0.272 120.809 120.400 0.227 0.000 2.362 155 K HA -0.204 4.115 4.320 -0.002 0.000 0.202 155 K C 1.205 177.887 176.600 0.137 0.000 1.045 155 K CA 0.946 57.334 56.287 0.167 0.000 0.936 155 K CB -0.185 32.383 32.500 0.114 0.000 0.747 155 K HN 0.190 nan 8.250 nan 0.000 0.467 156 N N 0.021 118.783 118.700 0.103 0.000 2.461 156 N HA -0.004 4.735 4.740 -0.002 0.000 0.188 156 N C 1.017 176.561 175.510 0.056 0.000 1.134 156 N CA 0.626 53.715 53.050 0.065 0.000 0.878 156 N CB 0.233 38.744 38.487 0.040 0.000 0.972 156 N HN 0.307 nan 8.380 nan 0.000 0.456 157 M N -0.180 119.471 119.600 0.084 0.000 2.414 157 M HA 0.094 4.573 4.480 -0.002 0.000 0.251 157 M C 0.744 177.141 176.300 0.161 0.000 1.116 157 M CA -0.043 55.306 55.300 0.083 0.000 1.056 157 M CB 0.782 33.389 32.600 0.013 0.000 1.388 157 M HN -0.151 nan 8.290 nan 0.000 0.487 158 V N 1.687 121.744 119.914 0.239 0.000 3.185 158 V HA 0.341 4.459 4.120 -0.002 0.000 0.305 158 V C -2.625 173.473 176.094 0.007 0.000 1.090 158 V CA -1.188 61.148 62.300 0.058 0.000 1.107 158 V CB 0.801 32.699 31.823 0.125 0.000 1.061 158 V HN 0.025 nan 8.190 nan 0.000 0.480 159 P HA 0.475 nan 4.420 nan 0.000 0.288 159 P C -0.308 176.977 177.300 -0.025 0.000 1.300 159 P CA -0.639 62.440 63.100 -0.036 0.000 0.910 159 P CB 1.480 33.144 31.700 -0.059 0.000 1.256 160 Q N -0.032 119.759 119.800 -0.016 0.000 1.967 160 Q HA -0.116 4.223 4.340 -0.002 0.000 0.202 160 Q C 0.454 176.444 176.000 -0.017 0.000 0.985 160 Q CA 1.935 57.732 55.803 -0.010 0.000 0.839 160 Q CB -0.047 28.687 28.738 -0.007 0.000 0.906 160 Q HN 0.427 nan 8.270 nan 0.000 0.423 161 Q N -1.192 118.594 119.800 -0.023 0.000 2.306 161 Q HA 0.721 5.060 4.340 -0.002 0.000 0.269 161 Q C -1.287 174.689 176.000 -0.041 0.000 1.053 161 Q CA -0.548 55.239 55.803 -0.027 0.000 0.879 161 Q CB 2.036 30.761 28.738 -0.021 0.000 1.344 161 Q HN 0.274 nan 8.270 nan 0.000 0.464 162 A N 0.754 123.549 122.820 -0.043 0.000 2.556 162 A HA 0.621 4.940 4.320 -0.002 0.000 0.294 162 A C -1.476 176.082 177.584 -0.043 0.000 1.091 162 A CA -0.696 51.309 52.037 -0.054 0.000 0.704 162 A CB 1.487 20.445 19.000 -0.070 0.000 1.300 162 A HN 0.617 nan 8.150 nan 0.000 0.406 163 L N 2.765 123.961 121.223 -0.045 0.000 2.264 163 L HA 0.587 4.926 4.340 -0.002 0.000 0.287 163 L C -0.634 176.212 176.870 -0.041 0.000 1.039 163 L CA -0.544 54.274 54.840 -0.038 0.000 0.829 163 L CB 0.859 42.897 42.059 -0.035 0.000 1.211 163 L HN 0.745 nan 8.230 nan 0.000 0.427 164 V N 3.510 123.403 119.914 -0.036 0.000 3.074 164 V HA 0.632 4.751 4.120 -0.002 0.000 0.314 164 V C -0.293 175.783 176.094 -0.029 0.000 1.117 164 V CA -0.889 61.389 62.300 -0.037 0.000 1.014 164 V CB 2.380 34.180 31.823 -0.039 0.000 1.057 164 V HN 0.509 nan 8.190 nan 0.000 0.438 165 I N 0.466 121.019 120.570 -0.029 0.000 2.603 165 I HA 0.807 4.976 4.170 -0.002 0.000 0.300 165 I C -0.483 175.621 176.117 -0.021 0.000 1.017 165 I CA -0.848 60.438 61.300 -0.022 0.000 1.098 165 I CB 1.872 39.859 38.000 -0.020 0.000 1.279 165 I HN 0.777 nan 8.210 nan 0.000 0.437 166 R N 3.227 123.717 120.500 -0.016 0.000 2.548 166 R HA 0.361 4.700 4.340 -0.002 0.000 0.280 166 R C -0.091 176.203 176.300 -0.009 0.000 1.061 166 R CA -0.694 55.397 56.100 -0.014 0.000 0.915 166 R CB 1.404 31.696 30.300 -0.013 0.000 1.210 166 R HN 0.747 nan 8.270 nan 0.000 0.442 167 N N 0.358 119.053 118.700 -0.008 0.000 2.927 167 N HA -0.259 4.480 4.740 -0.002 0.000 0.220 167 N C 0.799 176.308 175.510 -0.003 0.000 0.845 167 N CA 2.598 55.645 53.050 -0.004 0.000 1.089 167 N CB -0.719 37.766 38.487 -0.003 0.000 0.994 167 N HN 0.998 nan 8.380 nan 0.000 0.616 168 G N -1.201 107.596 108.800 -0.005 0.000 2.905 168 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.196 168 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.196 168 G C -0.259 174.637 174.900 -0.006 0.000 1.044 168 G CA 0.180 45.278 45.100 -0.004 0.000 0.778 168 G HN 0.401 nan 8.290 nan 0.000 0.474 169 E N 1.858 122.054 120.200 -0.006 0.000 2.568 169 E HA 0.371 4.720 4.350 -0.002 0.000 0.262 169 E C 0.643 177.237 176.600 -0.010 0.000 0.961 169 E CA 0.754 57.150 56.400 -0.007 0.000 0.945 169 E CB 0.382 30.078 29.700 -0.006 0.000 0.924 169 E HN 0.661 nan 8.360 nan 0.000 0.467 170 K N 3.705 124.099 120.400 -0.010 0.000 2.183 170 K HA 0.494 4.813 4.320 -0.002 0.000 0.274 170 K C -0.509 176.083 176.600 -0.013 0.000 1.009 170 K CA -0.610 55.669 56.287 -0.013 0.000 0.888 170 K CB 1.026 33.517 32.500 -0.014 0.000 1.078 170 K HN 0.478 nan 8.250 nan 0.000 0.459 171 M N 0.469 120.060 119.600 -0.015 0.000 2.277 171 M HA 0.279 4.758 4.480 -0.002 0.000 0.282 171 M C -0.981 175.308 176.300 -0.018 0.000 1.074 171 M CA -0.789 54.503 55.300 -0.014 0.000 0.954 171 M CB 2.153 34.746 32.600 -0.012 0.000 1.672 171 M HN 0.715 nan 8.290 nan 0.000 0.471 172 S N 4.724 120.414 115.700 -0.017 0.000 2.603 172 S HA 0.876 5.345 4.470 -0.002 0.000 0.268 172 S C -0.134 174.456 174.600 -0.017 0.000 1.317 172 S CA -0.413 57.775 58.200 -0.019 0.000 1.012 172 S CB 0.809 63.999 63.200 -0.018 0.000 0.926 172 S HN 0.958 nan 8.310 nan 0.000 0.539 173 I N -1.629 118.930 120.570 -0.019 0.000 3.099 173 I HA 0.458 4.627 4.170 -0.002 0.000 0.308 173 I C -0.816 175.291 176.117 -0.017 0.000 1.405 173 I CA -1.264 60.026 61.300 -0.015 0.000 0.953 173 I CB 1.401 39.392 38.000 -0.014 0.000 1.324 173 I HN 0.525 nan 8.210 nan 0.000 0.495 174 N N 1.923 120.616 118.700 -0.011 0.000 2.315 174 N HA 0.018 4.757 4.740 -0.002 0.000 0.270 174 N C 1.158 176.660 175.510 -0.013 0.000 1.329 174 N CA 1.034 54.079 53.050 -0.009 0.000 0.860 174 N CB 1.470 39.956 38.487 -0.002 0.000 1.095 174 N HN 0.849 nan 8.380 nan 0.000 0.487 175 A N 4.159 126.967 122.820 -0.020 0.000 2.148 175 A HA -0.195 4.124 4.320 -0.002 0.000 0.222 175 A C 1.567 179.139 177.584 -0.020 0.000 1.161 175 A CA 1.523 53.539 52.037 -0.035 0.000 0.662 175 A CB -0.182 18.786 19.000 -0.053 0.000 0.799 175 A HN 0.849 nan 8.150 nan 0.000 0.466 176 E N -0.464 119.737 120.200 0.000 0.000 2.474 176 E HA -0.026 4.323 4.350 -0.002 0.000 0.194 176 E C 0.816 177.424 176.600 0.013 0.000 1.041 176 E CA 0.438 56.848 56.400 0.017 0.000 0.874 176 E CB 0.072 29.789 29.700 0.027 0.000 0.914 176 E HN 0.796 nan 8.360 nan 0.000 0.498 177 E N 0.847 121.048 120.200 0.003 0.000 2.465 177 E HA 0.068 4.417 4.350 -0.002 0.000 0.191 177 E C 0.044 176.642 176.600 -0.004 0.000 1.053 177 E CA -0.108 56.294 56.400 0.002 0.000 0.869 177 E CB 0.638 30.338 29.700 -0.000 0.000 0.977 177 E HN -0.042 nan 8.360 nan 0.000 0.483 178 V N 2.517 122.425 119.914 -0.009 0.000 2.637 178 V HA 0.051 4.170 4.120 -0.002 0.000 0.296 178 V C 0.381 176.475 176.094 -0.001 0.000 1.046 178 V CA -0.248 62.041 62.300 -0.017 0.000 1.066 178 V CB 1.065 32.868 31.823 -0.033 0.000 0.968 178 V HN 0.111 nan 8.190 nan 0.000 0.483 179 V N 3.515 123.426 119.914 -0.005 0.000 3.074 179 V HA 0.599 4.718 4.120 -0.002 0.000 0.314 179 V C -0.125 175.975 176.094 0.009 0.000 1.117 179 V CA -0.947 61.361 62.300 0.013 0.000 1.014 179 V CB 2.044 33.876 31.823 0.015 0.000 1.057 179 V HN 0.440 nan 8.190 nan 0.000 0.438 180 V N 3.161 123.101 119.914 0.044 0.000 2.304 180 V HA 0.543 4.662 4.120 -0.002 0.000 0.239 180 V C 1.414 177.535 176.094 0.045 0.000 1.201 180 V CA 1.357 63.690 62.300 0.055 0.000 1.254 180 V CB -1.288 30.611 31.823 0.128 0.000 1.335 180 V HN 1.519 nan 8.190 nan 0.000 0.491 181 G N 3.217 111.975 108.800 -0.070 0.000 3.724 181 G HA2 -0.085 3.874 3.960 -0.002 0.000 0.212 181 G HA3 -0.085 3.874 3.960 -0.002 0.000 0.212 181 G C -0.007 174.816 174.900 -0.128 0.000 0.928 181 G CA -0.011 45.035 45.100 -0.091 0.000 0.879 181 G HN 0.678 nan 8.290 nan 0.000 0.424 182 D N 0.583 120.927 120.400 -0.094 0.000 2.440 182 D HA 0.581 5.220 4.640 -0.002 0.000 0.269 182 D C -0.075 176.165 176.300 -0.100 0.000 1.249 182 D CA -0.760 53.192 54.000 -0.081 0.000 1.055 182 D CB 0.819 41.589 40.800 -0.049 0.000 1.104 182 D HN 0.190 nan 8.370 nan 0.000 0.561 183 L N 0.283 121.462 121.223 -0.073 0.000 2.276 183 L HA 0.383 4.722 4.340 -0.002 0.000 0.286 183 L C -1.111 175.722 176.870 -0.062 0.000 1.024 183 L CA -0.690 54.109 54.840 -0.068 0.000 0.826 183 L CB 0.985 43.014 42.059 -0.049 0.000 1.211 183 L HN 0.301 nan 8.230 nan 0.000 0.422 184 V N 4.162 124.034 119.914 -0.070 0.000 2.495 184 V HA 0.482 4.601 4.120 -0.002 0.000 0.298 184 V C -0.212 175.846 176.094 -0.059 0.000 1.031 184 V CA -0.802 61.458 62.300 -0.066 0.000 0.871 184 V CB 1.690 33.466 31.823 -0.079 0.000 0.988 184 V HN 0.728 nan 8.190 nan 0.000 0.432 185 E N 3.379 123.549 120.200 -0.050 0.000 2.101 185 E HA 0.473 4.822 4.350 -0.002 0.000 0.260 185 E C -0.681 175.892 176.600 -0.044 0.000 0.897 185 E CA -0.529 55.845 56.400 -0.043 0.000 0.744 185 E CB 1.831 31.511 29.700 -0.034 0.000 1.140 185 E HN 0.727 nan 8.360 nan 0.000 0.419 186 V N 3.444 123.329 119.914 -0.048 0.000 2.530 186 V HA 0.420 4.539 4.120 -0.002 0.000 0.282 186 V C -0.137 175.935 176.094 -0.036 0.000 1.048 186 V CA -0.204 62.068 62.300 -0.046 0.000 0.997 186 V CB 1.063 32.855 31.823 -0.052 0.000 0.987 186 V HN 0.710 nan 8.190 nan 0.000 0.477 187 K N 5.407 125.788 120.400 -0.032 0.000 2.512 187 K HA 0.851 5.170 4.320 -0.002 0.000 0.272 187 K C 0.325 176.911 176.600 -0.023 0.000 1.033 187 K CA -0.029 56.243 56.287 -0.025 0.000 1.096 187 K CB 0.553 33.040 32.500 -0.022 0.000 1.498 187 K HN 0.911 nan 8.250 nan 0.000 0.629 188 G N -1.615 107.173 108.800 -0.018 0.000 2.372 188 G HA2 0.443 4.402 3.960 -0.002 0.000 0.283 188 G HA3 0.443 4.402 3.960 -0.002 0.000 0.283 188 G C 0.595 175.485 174.900 -0.015 0.000 1.177 188 G CA -0.303 44.788 45.100 -0.017 0.000 0.842 188 G HN 1.146 nan 8.290 nan 0.000 0.503 189 G N 2.619 111.410 108.800 -0.015 0.000 2.454 189 G HA2 -0.297 3.662 3.960 -0.002 0.000 0.225 189 G HA3 -0.297 3.662 3.960 -0.002 0.000 0.225 189 G C 0.462 175.353 174.900 -0.016 0.000 1.138 189 G CA 0.657 45.749 45.100 -0.013 0.000 0.667 189 G HN 1.086 nan 8.290 nan 0.000 0.512 190 D N 0.963 121.352 120.400 -0.020 0.000 2.414 190 D HA 0.600 5.239 4.640 -0.002 0.000 0.251 190 D C 0.748 177.030 176.300 -0.029 0.000 1.252 190 D CA -0.349 53.636 54.000 -0.024 0.000 0.999 190 D CB 0.424 41.207 40.800 -0.027 0.000 1.093 190 D HN 0.616 nan 8.370 nan 0.000 0.515 191 R N -0.887 119.590 120.500 -0.038 0.000 2.643 191 R HA 0.470 4.809 4.340 -0.002 0.000 0.272 191 R C -0.317 175.939 176.300 -0.073 0.000 0.995 191 R CA -0.948 55.124 56.100 -0.046 0.000 1.032 191 R CB 1.210 31.482 30.300 -0.048 0.000 1.126 191 R HN 0.410 nan 8.270 nan 0.000 0.505 192 I N 4.024 124.547 120.570 -0.079 0.000 2.281 192 I HA 0.130 4.299 4.170 -0.002 0.000 0.293 192 I C -1.686 174.292 176.117 -0.231 0.000 1.085 192 I CA -2.105 59.131 61.300 -0.106 0.000 1.257 192 I CB 0.906 38.879 38.000 -0.045 0.000 1.430 192 I HN 0.288 nan 8.210 nan 0.000 0.489 193 P HA -0.183 nan 4.420 nan 0.000 0.214 193 P C 0.671 177.708 177.300 -0.438 0.000 1.169 193 P CA 1.671 64.579 63.100 -0.319 0.000 0.908 193 P CB 0.553 32.145 31.700 -0.180 0.000 0.791 194 A N -1.849 120.828 122.820 -0.239 0.000 3.822 194 A HA 0.475 4.794 4.320 -0.002 0.000 0.181 194 A C -0.871 176.732 177.584 0.031 0.000 0.902 194 A CA -0.295 51.673 52.037 -0.113 0.000 0.825 194 A CB -0.207 18.782 19.000 -0.019 0.000 1.447 194 A HN -0.150 nan 8.150 nan 0.000 0.732 195 D N 1.288 121.767 120.400 0.131 0.000 2.317 195 D HA 0.530 5.169 4.640 -0.002 0.000 0.234 195 D C -0.810 175.464 176.300 -0.044 0.000 1.112 195 D CA 0.313 54.390 54.000 0.127 0.000 0.840 195 D CB 0.824 41.797 40.800 0.287 0.000 1.078 195 D HN 0.339 nan 8.370 nan 0.000 0.486 196 L N 2.397 123.554 121.223 -0.109 0.000 2.309 196 L HA 0.474 4.813 4.340 -0.002 0.000 0.282 196 L C 0.620 177.379 176.870 -0.185 0.000 1.036 196 L CA -0.850 53.899 54.840 -0.152 0.000 0.806 196 L CB 1.462 43.441 42.059 -0.134 0.000 1.220 196 L HN 0.051 nan 8.230 nan 0.000 0.429 197 R N 4.077 124.480 120.500 -0.162 0.000 2.295 197 R HA 0.460 4.799 4.340 -0.002 0.000 0.324 197 R C -0.644 175.604 176.300 -0.088 0.000 0.968 197 R CA -0.688 55.343 56.100 -0.115 0.000 0.837 197 R CB 1.008 31.263 30.300 -0.074 0.000 1.133 197 R HN 0.534 nan 8.270 nan 0.000 0.450 198 I N 6.983 127.510 120.570 -0.070 0.000 2.396 198 I HA 0.071 4.240 4.170 -0.002 0.000 0.289 198 I C 1.468 177.572 176.117 -0.023 0.000 1.056 198 I CA -0.149 61.118 61.300 -0.054 0.000 1.365 198 I CB 0.538 38.505 38.000 -0.056 0.000 1.407 198 I HN 0.565 nan 8.210 nan 0.000 0.509 199 I N 3.241 123.798 120.570 -0.022 0.000 3.700 199 I HA 0.157 4.326 4.170 -0.002 0.000 0.232 199 I C 1.369 177.484 176.117 -0.003 0.000 1.033 199 I CA 0.137 61.436 61.300 -0.003 0.000 1.525 199 I CB -0.654 37.347 38.000 0.001 0.000 1.411 199 I HN 0.556 nan 8.210 nan 0.000 0.458 200 S N 0.713 116.408 115.700 -0.009 0.000 2.617 200 S HA 0.674 5.143 4.470 -0.002 0.000 0.259 200 S C -0.184 174.407 174.600 -0.014 0.000 1.301 200 S CA 0.046 58.241 58.200 -0.008 0.000 0.984 200 S CB 0.485 63.679 63.200 -0.009 0.000 0.954 200 S HN 1.066 nan 8.310 nan 0.000 0.572 201 A N 1.875 124.688 122.820 -0.013 0.000 2.580 201 A HA 0.547 4.866 4.320 -0.002 0.000 0.301 201 A C -1.318 176.258 177.584 -0.014 0.000 1.054 201 A CA -0.779 51.248 52.037 -0.017 0.000 0.751 201 A CB 0.737 19.726 19.000 -0.019 0.000 1.275 201 A HN 0.847 nan 8.150 nan 0.000 0.403 202 N N 0.801 119.492 118.700 -0.016 0.000 2.260 202 N HA 0.531 5.269 4.740 -0.002 0.000 0.293 202 N C 0.447 175.949 175.510 -0.014 0.000 1.058 202 N CA 0.662 53.704 53.050 -0.013 0.000 0.824 202 N CB 1.987 40.468 38.487 -0.010 0.000 1.551 202 N HN 2.139 nan 8.380 nan 0.000 0.475 203 G N 2.226 111.018 108.800 -0.013 0.000 2.359 203 G HA2 -0.228 3.730 3.960 -0.002 0.000 0.278 203 G HA3 -0.228 3.730 3.960 -0.002 0.000 0.278 203 G C 0.226 175.116 174.900 -0.018 0.000 0.872 203 G CA 0.675 45.766 45.100 -0.014 0.000 1.185 203 G HN 0.702 nan 8.290 nan 0.000 0.474 204 C N 1.888 121.176 119.300 -0.020 0.000 2.321 204 C HA 0.744 5.202 4.460 -0.002 0.000 0.323 204 C C 0.428 175.404 174.990 -0.023 0.000 1.191 204 C CA -1.295 57.709 59.018 -0.023 0.000 1.455 204 C CB 0.068 27.793 27.740 -0.026 0.000 2.083 204 C HN 0.583 nan 8.230 nan 0.000 0.442 205 K N 3.253 123.639 120.400 -0.022 0.000 2.211 205 K HA 0.873 5.192 4.320 -0.002 0.000 0.237 205 K C -1.272 175.319 176.600 -0.016 0.000 1.002 205 K CA -0.758 55.517 56.287 -0.020 0.000 0.885 205 K CB 2.161 34.647 32.500 -0.024 0.000 1.136 205 K HN 0.416 nan 8.250 nan 0.000 0.448 206 V N 1.359 121.268 119.914 -0.008 0.000 2.823 206 V HA 0.030 4.149 4.120 -0.002 0.000 0.296 206 V C -1.704 174.398 176.094 0.012 0.000 1.250 206 V CA -0.827 61.473 62.300 -0.000 0.000 0.939 206 V CB 1.988 33.809 31.823 -0.002 0.000 1.062 206 V HN 0.758 nan 8.190 nan 0.000 0.433 207 D N 4.131 124.537 120.400 0.011 0.000 2.398 207 D HA 0.100 4.739 4.640 -0.002 0.000 0.250 207 D C 0.680 176.996 176.300 0.026 0.000 1.287 207 D CA 0.372 54.379 54.000 0.012 0.000 0.992 207 D CB 0.388 41.189 40.800 0.003 0.000 1.071 207 D HN 0.488 nan 8.370 nan 0.000 0.514 208 N N 0.846 119.567 118.700 0.035 0.000 2.362 208 N HA -0.067 4.672 4.740 -0.002 0.000 0.211 208 N C 1.568 177.089 175.510 0.018 0.000 1.170 208 N CA 0.027 53.109 53.050 0.055 0.000 0.828 208 N CB 0.192 38.727 38.487 0.081 0.000 1.034 208 N HN 0.320 nan 8.380 nan 0.000 0.475 209 S N -0.905 114.795 115.700 -0.000 0.000 2.359 209 S HA -0.181 4.288 4.470 -0.002 0.000 0.223 209 S C 1.733 176.311 174.600 -0.038 0.000 1.039 209 S CA 1.375 59.563 58.200 -0.021 0.000 1.042 209 S CB -0.740 62.446 63.200 -0.023 0.000 0.915 209 S HN 0.234 nan 8.310 nan 0.000 0.439 210 S N 1.357 117.030 115.700 -0.046 0.000 2.592 210 S HA 0.083 4.552 4.470 -0.002 0.000 0.256 210 S C 1.174 175.726 174.600 -0.080 0.000 0.974 210 S CA 1.137 59.290 58.200 -0.077 0.000 0.963 210 S CB -0.491 62.652 63.200 -0.095 0.000 0.750 210 S HN 0.537 nan 8.310 nan 0.000 0.538 211 L N -0.719 120.462 121.223 -0.069 0.000 2.437 211 L HA 0.014 4.353 4.340 -0.002 0.000 0.188 211 L C 2.416 179.237 176.870 -0.082 0.000 1.123 211 L CA 1.054 55.836 54.840 -0.096 0.000 0.981 211 L CB -0.444 41.545 42.059 -0.117 0.000 1.935 211 L HN 0.389 nan 8.230 nan 0.000 0.494 212 T N -3.256 111.262 114.554 -0.060 0.000 2.894 212 T HA 0.131 4.479 4.350 -0.002 0.000 0.258 212 T C 1.434 176.090 174.700 -0.073 0.000 1.043 212 T CA 1.334 63.392 62.100 -0.071 0.000 1.141 212 T CB 0.502 69.340 68.868 -0.049 0.000 0.873 212 T HN 0.551 nan 8.240 nan 0.000 0.449 213 G N 1.236 110.003 108.800 -0.055 0.000 2.254 213 G HA2 -0.157 3.802 3.960 -0.002 0.000 0.225 213 G HA3 -0.157 3.802 3.960 -0.002 0.000 0.225 213 G C -0.098 174.778 174.900 -0.039 0.000 1.003 213 G CA 0.077 45.148 45.100 -0.050 0.000 0.622 213 G HN 0.736 nan 8.290 nan 0.000 0.507 214 E N 0.667 120.846 120.200 -0.035 0.000 2.227 214 E HA 0.688 5.037 4.350 -0.002 0.000 0.268 214 E C 0.086 176.679 176.600 -0.012 0.000 0.990 214 E CA -0.256 56.131 56.400 -0.021 0.000 0.856 214 E CB 1.516 31.208 29.700 -0.013 0.000 1.159 214 E HN 0.123 nan 8.360 nan 0.000 0.401 215 S N 0.046 115.740 115.700 -0.010 0.000 2.578 215 S HA -0.003 4.466 4.470 -0.002 0.000 0.231 215 S C 0.422 175.019 174.600 -0.005 0.000 0.994 215 S CA -0.357 57.838 58.200 -0.008 0.000 0.956 215 S CB -0.084 63.109 63.200 -0.011 0.000 0.870 215 S HN 0.547 nan 8.310 nan 0.000 0.494 216 E N 2.347 122.546 120.200 -0.002 0.000 2.338 216 E HA 0.286 4.635 4.350 -0.002 0.000 0.272 216 E C -3.021 173.579 176.600 -0.000 0.000 1.029 216 E CA -1.977 54.421 56.400 -0.003 0.000 0.872 216 E CB 0.204 29.904 29.700 -0.000 0.000 1.015 216 E HN -0.021 nan 8.360 nan 0.000 0.417 217 P HA 0.073 nan 4.420 nan 0.000 0.275 217 P C -1.033 176.265 177.300 -0.004 0.000 1.227 217 P CA -0.315 62.781 63.100 -0.007 0.000 0.781 217 P CB 0.817 32.506 31.700 -0.017 0.000 0.906 218 Q N 0.837 120.641 119.800 0.006 0.000 2.241 218 Q HA 0.469 4.808 4.340 -0.002 0.000 0.262 218 Q C -0.217 175.780 176.000 -0.005 0.000 1.014 218 Q CA -0.414 55.394 55.803 0.008 0.000 0.885 218 Q CB 0.635 29.389 28.738 0.028 0.000 1.311 218 Q HN 0.342 nan 8.270 nan 0.000 0.461 219 T N 1.655 116.203 114.554 -0.010 0.000 2.875 219 T HA 0.538 4.887 4.350 -0.002 0.000 0.284 219 T C -0.054 174.634 174.700 -0.019 0.000 0.995 219 T CA -0.853 61.237 62.100 -0.017 0.000 1.060 219 T CB 0.883 69.740 68.868 -0.019 0.000 0.967 219 T HN 0.094 nan 8.240 nan 0.000 0.476 220 R N 2.292 122.776 120.500 -0.025 0.000 2.393 220 R HA 0.631 4.970 4.340 -0.002 0.000 0.315 220 R C -0.395 175.890 176.300 -0.026 0.000 0.952 220 R CA -0.542 55.537 56.100 -0.034 0.000 0.842 220 R CB 1.497 31.767 30.300 -0.049 0.000 1.163 220 R HN 0.892 nan 8.270 nan 0.000 0.450 221 S N 1.786 117.475 115.700 -0.019 0.000 2.667 221 S HA 0.590 5.059 4.470 -0.002 0.000 0.292 221 S C -2.369 172.231 174.600 0.001 0.000 1.126 221 S CA -1.496 56.700 58.200 -0.006 0.000 0.881 221 S CB 2.575 65.778 63.200 0.005 0.000 1.132 221 S HN 0.184 nan 8.310 nan 0.000 0.492 222 P HA 0.173 nan 4.420 nan 0.000 0.245 222 P C -0.812 176.527 177.300 0.066 0.000 1.212 222 P CA 0.178 63.297 63.100 0.031 0.000 0.774 222 P CB -0.376 31.340 31.700 0.027 0.000 0.999 223 D N 1.272 121.707 120.400 0.060 0.000 2.422 223 D HA -0.099 4.540 4.640 -0.002 0.000 0.283 223 D C 0.195 176.586 176.300 0.151 0.000 1.428 223 D CA 0.262 54.320 54.000 0.096 0.000 1.117 223 D CB -0.856 39.984 40.800 0.067 0.000 1.120 223 D HN 0.220 nan 8.370 nan 0.000 0.543 224 F N 1.983 121.938 119.950 0.008 0.000 2.608 224 F HA -0.036 4.489 4.527 -0.003 0.000 0.380 224 F C 1.535 177.341 175.800 0.011 0.000 1.083 224 F CA 0.409 58.416 58.000 0.012 0.000 1.266 224 F CB 0.839 39.823 39.000 -0.027 0.000 1.076 224 F HN 0.244 nan 8.300 nan 0.000 0.574 225 T N 1.560 115.988 114.554 -0.210 0.000 2.966 225 T HA 0.226 4.575 4.350 -0.002 0.000 0.254 225 T C -0.028 174.614 174.700 -0.096 0.000 0.961 225 T CA -0.096 62.062 62.100 0.096 0.000 0.915 225 T CB -0.462 68.408 68.868 0.004 0.000 1.186 225 T HN 0.719 nan 8.240 nan 0.000 0.505 226 N N -0.415 117.768 118.700 -0.861 0.000 2.277 226 N HA 0.287 5.026 4.740 -0.002 0.000 0.286 226 N C 0.410 175.657 175.510 -0.438 0.000 1.140 226 N CA -0.487 52.340 53.050 -0.371 0.000 0.799 226 N CB 1.830 40.224 38.487 -0.154 0.000 1.596 226 N HN -0.177 nan 8.380 nan 0.000 0.473 227 E N 1.028 121.211 120.200 -0.028 0.000 2.033 227 E HA -0.212 4.137 4.350 -0.002 0.000 0.199 227 E C -0.008 176.672 176.600 0.133 0.000 1.011 227 E CA 1.372 57.824 56.400 0.085 0.000 0.815 227 E CB -0.224 29.542 29.700 0.111 0.000 0.755 227 E HN 0.591 nan 8.360 nan 0.000 0.451 228 N N 0.640 119.397 118.700 0.094 0.000 2.411 228 N HA 0.018 4.757 4.740 -0.002 0.000 0.259 228 N C -2.163 173.399 175.510 0.087 0.000 1.103 228 N CA -1.345 51.772 53.050 0.112 0.000 0.954 228 N CB 1.313 39.852 38.487 0.085 0.000 1.085 228 N HN -0.166 nan 8.380 nan 0.000 0.485 229 P HA -0.048 nan 4.420 nan 0.000 0.226 229 P C 1.095 178.434 177.300 0.066 0.000 1.146 229 P CA 0.892 63.884 63.100 -0.180 0.000 0.773 229 P CB 0.293 31.848 31.700 -0.242 0.000 0.772 230 L N -1.039 120.257 121.223 0.122 0.000 2.492 230 L HA 0.012 4.351 4.340 -0.002 0.000 0.223 230 L C 1.924 178.898 176.870 0.172 0.000 1.132 230 L CA 0.943 55.902 54.840 0.198 0.000 0.850 230 L CB -0.308 41.791 42.059 0.068 0.000 0.966 230 L HN -0.015 nan 8.230 nan 0.000 0.454 231 E N -1.060 119.197 120.200 0.095 0.000 2.453 231 E HA 0.041 4.390 4.350 -0.002 0.000 0.211 231 E C 1.010 177.618 176.600 0.013 0.000 0.897 231 E CA 0.220 56.661 56.400 0.068 0.000 1.063 231 E CB 0.437 30.178 29.700 0.067 0.000 1.080 231 E HN 0.246 nan 8.360 nan 0.000 0.512 232 T N 0.560 115.093 114.554 -0.034 0.000 2.932 232 T HA 0.064 4.413 4.350 -0.002 0.000 0.312 232 T C 0.775 175.434 174.700 -0.068 0.000 1.071 232 T CA -0.053 61.988 62.100 -0.098 0.000 1.128 232 T CB 0.728 69.525 68.868 -0.117 0.000 0.984 232 T HN -0.030 nan 8.240 nan 0.000 0.549 233 R N 2.220 122.685 120.500 -0.058 0.000 2.356 233 R HA 0.175 4.514 4.340 -0.002 0.000 0.234 233 R C 1.362 177.628 176.300 -0.056 0.000 0.929 233 R CA 0.099 56.172 56.100 -0.044 0.000 1.084 233 R CB -0.082 30.206 30.300 -0.019 0.000 1.105 233 R HN 0.732 nan 8.270 nan 0.000 0.515 234 N N 0.318 118.980 118.700 -0.062 0.000 2.187 234 N HA 0.020 4.759 4.740 -0.002 0.000 0.212 234 N C -0.279 175.165 175.510 -0.110 0.000 1.152 234 N CA 0.084 53.104 53.050 -0.049 0.000 0.872 234 N CB 0.710 39.212 38.487 0.025 0.000 1.025 234 N HN -0.008 nan 8.380 nan 0.000 0.514 235 I N 1.522 121.963 120.570 -0.216 0.000 2.378 235 I HA 0.516 4.685 4.170 -0.002 0.000 0.291 235 I C 0.058 175.827 176.117 -0.580 0.000 0.992 235 I CA -1.263 59.794 61.300 -0.406 0.000 1.154 235 I CB 1.061 38.746 38.000 -0.525 0.000 1.315 235 I HN 0.007 nan 8.210 nan 0.000 0.448 236 A N 6.285 128.800 122.820 -0.508 0.000 2.320 236 A HA 0.862 5.181 4.320 -0.002 0.000 0.334 236 A C -1.247 176.049 177.584 -0.481 0.000 1.147 236 A CA -0.301 51.490 52.037 -0.411 0.000 0.820 236 A CB 0.953 19.839 19.000 -0.190 0.000 1.218 236 A HN 0.420 nan 8.150 nan 0.000 0.482 237 F N 0.285 120.249 119.950 0.023 0.000 2.520 237 F HA 0.470 4.995 4.527 -0.002 0.000 0.322 237 F C -0.167 175.709 175.800 0.127 0.000 1.103 237 F CA -1.326 56.718 58.000 0.073 0.000 0.926 237 F CB 1.562 40.597 39.000 0.058 0.000 1.154 237 F HN 0.541 nan 8.300 nan 0.000 0.453 238 F N 3.082 123.193 119.950 0.268 0.000 2.578 238 F HA 0.302 4.828 4.527 -0.002 0.000 0.376 238 F C 1.143 176.986 175.800 0.071 0.000 1.085 238 F CA 1.083 59.162 58.000 0.131 0.000 1.260 238 F CB 0.457 39.533 39.000 0.125 0.000 1.095 238 F HN 0.688 nan 8.300 nan 0.000 0.573 239 S N 1.140 117.217 115.700 0.627 0.000 1.409 239 S HA -0.200 4.269 4.470 -0.002 0.000 0.248 239 S C 0.410 175.081 174.600 0.119 0.000 0.706 239 S CA 0.536 58.929 58.200 0.323 0.000 1.163 239 S CB -2.767 60.511 63.200 0.130 0.000 1.314 239 S HN 1.323 nan 8.310 nan 0.000 0.500 240 T N 2.746 117.375 114.554 0.126 0.000 2.748 240 T HA 0.516 4.865 4.350 -0.002 0.000 0.304 240 T C -0.024 174.698 174.700 0.037 0.000 1.041 240 T CA 0.070 62.214 62.100 0.075 0.000 1.033 240 T CB 0.297 69.231 68.868 0.111 0.000 0.995 240 T HN 1.166 nan 8.240 nan 0.000 0.536 241 N N -1.545 117.166 118.700 0.018 0.000 2.265 241 N HA 0.442 5.181 4.740 -0.002 0.000 0.300 241 N C -1.295 174.213 175.510 -0.003 0.000 1.148 241 N CA -1.242 51.807 53.050 -0.001 0.000 0.772 241 N CB 1.737 40.220 38.487 -0.007 0.000 1.434 241 N HN 0.748 nan 8.380 nan 0.000 0.481 242 C N 3.006 122.298 119.300 -0.013 0.000 2.289 242 C HA 0.241 4.700 4.460 -0.002 0.000 0.340 242 C C 1.673 176.654 174.990 -0.014 0.000 1.152 242 C CA -0.497 58.512 59.018 -0.016 0.000 1.650 242 C CB -1.389 26.337 27.740 -0.023 0.000 2.203 242 C HN 0.665 nan 8.230 nan 0.000 0.511 243 V N 4.597 124.503 119.914 -0.012 0.000 2.515 243 V HA -0.014 4.105 4.120 -0.002 0.000 0.250 243 V C 0.926 177.011 176.094 -0.014 0.000 1.058 243 V CA 1.665 63.958 62.300 -0.012 0.000 1.064 243 V CB -1.203 30.613 31.823 -0.012 0.000 0.675 243 V HN 0.961 nan 8.190 nan 0.000 0.461 244 E N -1.521 118.669 120.200 -0.016 0.000 2.380 244 E HA 0.549 4.898 4.350 -0.002 0.000 0.281 244 E C -0.178 176.411 176.600 -0.018 0.000 0.999 244 E CA -0.250 56.140 56.400 -0.016 0.000 0.800 244 E CB 1.660 31.350 29.700 -0.018 0.000 1.228 244 E HN 0.377 nan 8.360 nan 0.000 0.436 245 G N 0.778 109.569 108.800 -0.016 0.000 2.418 245 G HA2 0.208 4.167 3.960 -0.002 0.000 0.206 245 G HA3 0.208 4.167 3.960 -0.002 0.000 0.206 245 G C -0.391 174.498 174.900 -0.017 0.000 1.202 245 G CA 0.060 45.150 45.100 -0.016 0.000 1.061 245 G HN 1.371 nan 8.290 nan 0.000 0.563 246 T N -1.742 112.800 114.554 -0.020 0.000 2.827 246 T HA 0.859 5.208 4.350 -0.002 0.000 0.328 246 T C -0.635 174.050 174.700 -0.026 0.000 1.598 246 T CA 0.984 63.071 62.100 -0.022 0.000 1.043 246 T CB 0.972 69.829 68.868 -0.019 0.000 1.447 246 T HN 2.674 nan 8.240 nan 0.000 0.491 247 A N 1.911 124.712 122.820 -0.031 0.000 2.602 247 A HA 0.956 5.275 4.320 -0.002 0.000 0.290 247 A C -1.188 176.374 177.584 -0.037 0.000 1.114 247 A CA -0.955 51.062 52.037 -0.035 0.000 0.683 247 A CB 1.829 20.802 19.000 -0.044 0.000 1.281 247 A HN 0.944 nan 8.150 nan 0.000 0.416 248 R N -1.106 119.372 120.500 -0.038 0.000 2.744 248 R HA 0.695 5.034 4.340 -0.002 0.000 0.279 248 R C -0.187 176.081 176.300 -0.053 0.000 0.977 248 R CA 0.192 56.266 56.100 -0.042 0.000 0.906 248 R CB 2.523 32.804 30.300 -0.032 0.000 1.197 248 R HN 1.314 nan 8.270 nan 0.000 0.463 249 G N 2.106 110.865 108.800 -0.067 0.000 2.690 249 G HA2 0.496 4.455 3.960 -0.002 0.000 0.293 249 G HA3 0.496 4.455 3.960 -0.002 0.000 0.293 249 G C -1.439 173.394 174.900 -0.112 0.000 1.399 249 G CA -0.474 44.573 45.100 -0.089 0.000 0.890 249 G HN 0.277 nan 8.290 nan 0.000 0.485 250 I N 1.498 121.980 120.570 -0.147 0.000 2.359 250 I HA 0.275 4.444 4.170 -0.002 0.000 0.294 250 I C 0.655 176.593 176.117 -0.298 0.000 0.987 250 I CA -0.965 60.194 61.300 -0.235 0.000 1.225 250 I CB 1.349 39.176 38.000 -0.288 0.000 1.366 250 I HN 0.309 nan 8.210 nan 0.000 0.466 251 V N 5.717 125.450 119.914 -0.302 0.000 2.415 251 V HA 0.149 4.268 4.120 -0.002 0.000 0.267 251 V C 1.030 176.915 176.094 -0.348 0.000 1.042 251 V CA -0.470 61.685 62.300 -0.242 0.000 1.000 251 V CB 0.608 32.342 31.823 -0.148 0.000 1.015 251 V HN 0.656 nan 8.190 nan 0.000 0.478 252 V N 1.445 121.168 119.914 -0.319 0.000 3.307 252 V HA 0.385 4.504 4.120 -0.002 0.000 0.253 252 V C 0.260 176.103 176.094 -0.417 0.000 1.149 252 V CA 0.534 62.587 62.300 -0.413 0.000 1.112 252 V CB -0.777 30.750 31.823 -0.495 0.000 0.777 252 V HN 0.684 nan 8.190 nan 0.000 0.464 253 Y N -0.396 119.936 120.300 0.054 0.000 2.470 253 Y HA 0.693 5.242 4.550 -0.002 0.000 0.341 253 Y C -0.049 175.916 175.900 0.108 0.000 1.021 253 Y CA -1.206 56.951 58.100 0.094 0.000 1.025 253 Y CB 1.993 40.526 38.460 0.121 0.000 1.266 253 Y HN -0.128 nan 8.280 nan 0.000 0.448 254 T N 2.646 117.379 114.554 0.298 0.000 2.912 254 T HA 0.544 4.893 4.350 -0.002 0.000 0.326 254 T C 0.579 175.407 174.700 0.212 0.000 1.080 254 T CA 0.522 62.744 62.100 0.203 0.000 1.000 254 T CB -0.409 68.540 68.868 0.134 0.000 1.008 254 T HN 1.166 nan 8.240 nan 0.000 0.473 255 G N 4.847 113.839 108.800 0.320 0.000 2.565 255 G HA2 -0.326 3.633 3.960 -0.002 0.000 0.295 255 G HA3 -0.326 3.633 3.960 -0.002 0.000 0.295 255 G C 0.872 175.844 174.900 0.121 0.000 1.165 255 G CA 0.595 45.888 45.100 0.322 0.000 0.977 255 G HN 0.620 nan 8.290 nan 0.000 0.546 256 D N 0.766 121.197 120.400 0.052 0.000 2.220 256 D HA -0.138 4.501 4.640 -0.002 0.000 0.198 256 D C 2.526 178.793 176.300 -0.054 0.000 1.001 256 D CA 1.587 55.572 54.000 -0.025 0.000 0.875 256 D CB -0.004 40.787 40.800 -0.015 0.000 0.921 256 D HN 0.484 nan 8.370 nan 0.000 0.454 257 R N -0.099 120.390 120.500 -0.018 0.000 2.276 257 R HA 0.021 4.360 4.340 -0.002 0.000 0.196 257 R C 1.835 178.004 176.300 -0.219 0.000 0.961 257 R CA 0.453 56.497 56.100 -0.093 0.000 1.024 257 R CB 0.130 30.420 30.300 -0.017 0.000 0.940 257 R HN 0.241 nan 8.270 nan 0.000 0.480 258 T N -2.133 112.396 114.554 -0.041 0.000 5.610 258 T HA -0.010 4.339 4.350 -0.002 0.000 0.419 258 T C 1.490 176.141 174.700 -0.080 0.000 0.955 258 T CA 0.403 62.532 62.100 0.048 0.000 0.885 258 T CB -0.052 68.973 68.868 0.263 0.000 1.306 258 T HN -0.138 nan 8.240 nan 0.000 0.393 259 V N -0.648 119.278 119.914 0.021 0.000 2.996 259 V HA 0.151 4.270 4.120 -0.002 0.000 0.235 259 V C 2.623 178.653 176.094 -0.107 0.000 1.205 259 V CA 0.229 62.495 62.300 -0.057 0.000 1.225 259 V CB -0.161 31.614 31.823 -0.080 0.000 0.995 259 V HN 0.516 nan 8.190 nan 0.000 0.484 260 M N 1.404 120.945 119.600 -0.098 0.000 2.123 260 M HA 0.105 4.584 4.480 -0.002 0.000 0.263 260 M C 2.246 178.487 176.300 -0.098 0.000 1.069 260 M CA 1.875 57.125 55.300 -0.083 0.000 1.133 260 M CB -1.748 30.789 32.600 -0.104 0.000 1.356 260 M HN 0.359 nan 8.290 nan 0.000 0.415 261 G N -0.421 108.201 108.800 -0.297 0.000 2.469 261 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.219 261 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.219 261 G C 1.755 176.536 174.900 -0.198 0.000 1.150 261 G CA 0.662 45.594 45.100 -0.280 0.000 0.763 261 G HN 0.422 nan 8.290 nan 0.000 0.561 262 R N -0.382 120.019 120.500 -0.165 0.000 2.377 262 R HA 0.105 4.444 4.340 -0.002 0.000 0.207 262 R C 1.759 177.967 176.300 -0.154 0.000 1.075 262 R CA 0.185 56.193 56.100 -0.154 0.000 1.035 262 R CB -0.071 30.140 30.300 -0.150 0.000 0.857 262 R HN 0.365 nan 8.270 nan 0.000 0.475 263 I N -1.097 119.375 120.570 -0.164 0.000 2.900 263 I HA 0.006 4.175 4.170 -0.002 0.000 0.251 263 I C 2.287 178.197 176.117 -0.345 0.000 1.102 263 I CA 0.652 61.847 61.300 -0.174 0.000 1.457 263 I CB -1.144 36.819 38.000 -0.062 0.000 1.285 263 I HN 0.050 nan 8.210 nan 0.000 0.459 264 A N 1.008 123.455 122.820 -0.622 0.000 1.954 264 A HA -0.290 4.029 4.320 -0.002 0.000 0.222 264 A C 2.294 179.559 177.584 -0.533 0.000 1.199 264 A CA 2.800 54.188 52.037 -1.081 0.000 0.657 264 A CB -1.278 17.011 19.000 -1.184 0.000 0.823 264 A HN 0.435 nan 8.150 nan 0.000 0.463 265 T N -0.262 114.087 114.554 -0.341 0.000 2.371 265 T HA -0.231 4.118 4.350 -0.002 0.000 0.235 265 T C 1.827 176.400 174.700 -0.212 0.000 1.379 265 T CA 1.734 63.699 62.100 -0.225 0.000 1.284 265 T CB -0.747 68.022 68.868 -0.166 0.000 0.867 265 T HN 0.612 nan 8.240 nan 0.000 0.390 266 L N 0.488 121.604 121.223 -0.178 0.000 2.198 266 L HA -0.295 4.044 4.340 -0.002 0.000 0.218 266 L C 2.172 178.950 176.870 -0.153 0.000 1.084 266 L CA 2.218 56.970 54.840 -0.146 0.000 0.779 266 L CB -0.501 41.484 42.059 -0.124 0.000 0.890 266 L HN 0.394 nan 8.230 nan 0.000 0.439 267 A N -1.285 121.413 122.820 -0.204 0.000 1.849 267 A HA -0.055 4.264 4.320 -0.002 0.000 0.214 267 A C 1.880 179.360 177.584 -0.173 0.000 1.269 267 A CA 0.858 52.783 52.037 -0.186 0.000 0.605 267 A CB -0.960 17.908 19.000 -0.220 0.000 0.937 267 A HN 0.337 nan 8.150 nan 0.000 0.461 268 S N 0.420 115.987 115.700 -0.222 0.000 3.664 268 S HA 0.297 4.766 4.470 -0.002 0.000 0.179 268 S C 0.670 175.188 174.600 -0.136 0.000 0.981 268 S CA 0.667 58.765 58.200 -0.170 0.000 1.049 268 S CB -1.150 61.934 63.200 -0.193 0.000 1.478 268 S HN 1.118 nan 8.310 nan 0.000 0.459 269 G N 1.510 110.241 108.800 -0.116 0.000 5.310 269 G HA2 0.222 4.181 3.960 -0.002 0.000 0.203 269 G HA3 0.222 4.181 3.960 -0.002 0.000 0.203 269 G C -0.562 174.289 174.900 -0.083 0.000 0.800 269 G CA -0.423 44.620 45.100 -0.095 0.000 0.754 269 G HN 0.476 nan 8.290 nan 0.000 0.308 270 L N 2.651 123.826 121.223 -0.080 0.000 2.372 270 L HA 0.359 4.698 4.340 -0.002 0.000 0.273 270 L C -0.089 176.744 176.870 -0.061 0.000 0.989 270 L CA -0.947 53.850 54.840 -0.071 0.000 0.841 270 L CB 1.771 43.783 42.059 -0.077 0.000 1.225 270 L HN 0.336 nan 8.230 nan 0.000 0.414 271 E N 2.994 123.161 120.200 -0.054 0.000 2.606 271 E HA -0.047 4.302 4.350 -0.002 0.000 0.248 271 E C 0.933 177.503 176.600 -0.049 0.000 1.005 271 E CA 0.354 56.726 56.400 -0.047 0.000 0.946 271 E CB 0.954 30.628 29.700 -0.043 0.000 0.928 271 E HN 0.781 nan 8.360 nan 0.000 0.494 272 G N 4.052 112.823 108.800 -0.048 0.000 2.491 272 G HA2 -0.035 3.924 3.960 -0.002 0.000 0.218 272 G HA3 -0.035 3.924 3.960 -0.002 0.000 0.218 272 G C 0.922 175.793 174.900 -0.049 0.000 1.180 272 G CA 0.679 45.748 45.100 -0.050 0.000 0.774 272 G HN 1.119 nan 8.290 nan 0.000 0.562 273 G N -1.431 107.342 108.800 -0.044 0.000 2.829 273 G HA2 -0.177 3.782 3.960 -0.002 0.000 0.628 273 G HA3 -0.177 3.782 3.960 -0.002 0.000 0.628 273 G C -0.255 174.618 174.900 -0.044 0.000 1.412 273 G CA -0.130 44.944 45.100 -0.042 0.000 0.864 273 G HN 0.589 nan 8.290 nan 0.000 0.544 274 Q N 0.645 120.419 119.800 -0.044 0.000 2.269 274 Q HA 0.240 4.579 4.340 -0.002 0.000 0.300 274 Q C 1.589 177.557 176.000 -0.054 0.000 1.070 274 Q CA 1.096 56.870 55.803 -0.049 0.000 0.957 274 Q CB 0.464 29.171 28.738 -0.052 0.000 1.131 274 Q HN 1.039 nan 8.270 nan 0.000 0.377 275 T N 0.686 115.208 114.554 -0.054 0.000 2.619 275 T HA 0.106 4.455 4.350 -0.002 0.000 0.330 275 T C -1.726 172.939 174.700 -0.058 0.000 1.037 275 T CA -1.003 61.063 62.100 -0.056 0.000 1.005 275 T CB 0.324 69.161 68.868 -0.053 0.000 1.084 275 T HN 0.384 nan 8.240 nan 0.000 0.521 276 P HA 0.230 nan 4.420 nan 0.000 0.245 276 P C 1.443 178.721 177.300 -0.036 0.000 1.199 276 P CA -0.120 62.942 63.100 -0.063 0.000 0.807 276 P CB -0.035 31.613 31.700 -0.087 0.000 1.002 277 I N 0.885 121.445 120.570 -0.017 0.000 2.296 277 I HA 0.023 4.192 4.170 -0.002 0.000 0.242 277 I C 2.151 178.248 176.117 -0.033 0.000 1.087 277 I CA 1.109 62.424 61.300 0.024 0.000 1.393 277 I CB -1.028 36.995 38.000 0.039 0.000 1.093 277 I HN -0.154 nan 8.210 nan 0.000 0.421 278 A N 0.324 123.112 122.820 -0.054 0.000 2.125 278 A HA 0.100 4.419 4.320 -0.002 0.000 0.219 278 A C 2.039 179.550 177.584 -0.122 0.000 1.156 278 A CA 1.281 53.267 52.037 -0.085 0.000 0.671 278 A CB -1.073 17.889 19.000 -0.063 0.000 0.794 278 A HN 0.485 nan 8.150 nan 0.000 0.459 279 A N -1.100 121.658 122.820 -0.103 0.000 2.476 279 A HA 0.365 4.684 4.320 -0.002 0.000 0.263 279 A C 1.356 178.860 177.584 -0.133 0.000 1.342 279 A CA 0.148 52.112 52.037 -0.120 0.000 0.926 279 A CB -0.087 18.858 19.000 -0.091 0.000 1.019 279 A HN 0.328 nan 8.150 nan 0.000 0.515 280 E N -0.320 119.793 120.200 -0.146 0.000 2.279 280 E HA 0.045 4.394 4.350 -0.002 0.000 0.199 280 E C 1.789 178.163 176.600 -0.377 0.000 0.893 280 E CA 0.232 56.539 56.400 -0.156 0.000 0.978 280 E CB -0.247 29.424 29.700 -0.048 0.000 0.964 280 E HN 0.421 nan 8.360 nan 0.000 0.486 281 I N 2.141 122.421 120.570 -0.484 0.000 2.074 281 I HA -0.270 3.899 4.170 -0.002 0.000 0.238 281 I C 1.307 176.933 176.117 -0.818 0.000 1.037 281 I CA 1.428 62.190 61.300 -0.896 0.000 1.301 281 I CB -1.527 36.175 38.000 -0.497 0.000 1.016 281 I HN 0.155 nan 8.210 nan 0.000 0.400 282 E N 0.231 120.140 120.200 -0.484 0.000 3.265 282 E HA -0.163 4.186 4.350 -0.002 0.000 0.262 282 E C 1.237 177.490 176.600 -0.579 0.000 1.480 282 E CA 0.099 56.204 56.400 -0.491 0.000 1.548 282 E CB -0.438 29.084 29.700 -0.296 0.000 1.330 282 E HN 0.563 nan 8.360 nan 0.000 0.431 283 H N -0.720 117.969 119.070 -0.634 0.000 2.612 283 H HA -0.064 4.491 4.556 -0.002 0.000 0.193 283 H C 1.541 176.756 175.328 -0.189 0.000 0.875 283 H CA 0.158 55.949 56.048 -0.428 0.000 0.923 283 H CB -0.111 29.506 29.762 -0.243 0.000 1.170 283 H HN 0.282 nan 8.280 nan 0.000 0.459 284 F N 2.000 121.844 119.950 -0.177 0.000 2.186 284 F HA 0.109 4.635 4.527 -0.002 0.000 0.299 284 F C 2.257 177.998 175.800 -0.097 0.000 1.090 284 F CA 0.665 58.552 58.000 -0.188 0.000 1.307 284 F CB -1.496 37.449 39.000 -0.092 0.000 1.019 284 F HN 0.086 nan 8.300 nan 0.000 0.489 285 I N 0.940 121.701 120.570 0.319 0.000 2.145 285 I HA -0.392 3.777 4.170 -0.002 0.000 0.244 285 I C 2.680 179.009 176.117 0.353 0.000 1.075 285 I CA 2.249 63.716 61.300 0.279 0.000 1.332 285 I CB -0.831 37.065 38.000 -0.173 0.000 1.033 285 I HN 0.314 nan 8.210 nan 0.000 0.410 286 H N 0.174 119.255 119.070 0.020 0.000 2.421 286 H HA -0.130 4.425 4.556 -0.002 0.000 0.298 286 H C 2.348 177.677 175.328 0.002 0.000 1.087 286 H CA 1.114 57.163 56.048 0.003 0.000 1.330 286 H CB 0.143 29.875 29.762 -0.050 0.000 1.388 286 H HN 0.355 nan 8.280 nan 0.000 0.526 287 I N 0.542 121.160 120.570 0.079 0.000 2.141 287 I HA -0.227 3.942 4.170 -0.002 0.000 0.236 287 I C 2.292 178.458 176.117 0.082 0.000 1.071 287 I CA 0.749 62.061 61.300 0.020 0.000 1.345 287 I CB -0.283 37.669 38.000 -0.080 0.000 1.066 287 I HN 0.167 nan 8.210 nan 0.000 0.406 288 I N 0.721 121.375 120.570 0.140 0.000 2.352 288 I HA -0.448 3.721 4.170 -0.002 0.000 0.214 288 I C 2.578 178.765 176.117 0.115 0.000 0.961 288 I CA 2.216 63.596 61.300 0.133 0.000 1.290 288 I CB -0.813 37.314 38.000 0.211 0.000 0.997 288 I HN 0.287 nan 8.210 nan 0.000 0.375 289 T N 0.592 115.267 114.554 0.202 0.000 2.731 289 T HA -0.334 4.015 4.350 -0.002 0.000 0.259 289 T C 1.544 176.293 174.700 0.080 0.000 1.054 289 T CA 1.988 64.170 62.100 0.136 0.000 1.158 289 T CB -1.119 67.882 68.868 0.222 0.000 0.847 289 T HN 0.739 nan 8.240 nan 0.000 0.470 290 G N 1.232 110.086 108.800 0.089 0.000 2.721 290 G HA2 -0.292 3.666 3.960 -0.002 0.000 0.218 290 G HA3 -0.292 3.666 3.960 -0.002 0.000 0.218 290 G C 1.770 176.726 174.900 0.093 0.000 1.265 290 G CA 2.505 47.648 45.100 0.073 0.000 0.796 290 G HN 0.705 nan 8.290 nan 0.000 0.620 291 V N -0.196 119.763 119.914 0.075 0.000 2.278 291 V HA -0.169 3.950 4.120 -0.002 0.000 0.251 291 V C 2.942 179.077 176.094 0.068 0.000 1.062 291 V CA 2.738 65.095 62.300 0.095 0.000 1.038 291 V CB -1.447 30.431 31.823 0.093 0.000 0.646 291 V HN 0.678 nan 8.190 nan 0.000 0.447 292 A N 0.063 122.884 122.820 0.001 0.000 2.234 292 A HA 0.090 4.409 4.320 -0.002 0.000 0.216 292 A C 2.207 179.758 177.584 -0.054 0.000 1.167 292 A CA 2.463 54.455 52.037 -0.076 0.000 0.698 292 A CB -0.750 18.169 19.000 -0.135 0.000 0.779 292 A HN 1.355 nan 8.150 nan 0.000 0.475 293 V N -5.191 114.736 119.914 0.023 0.000 2.950 293 V HA 0.170 4.289 4.120 -0.002 0.000 0.231 293 V C 1.967 178.106 176.094 0.076 0.000 1.205 293 V CA 0.760 63.072 62.300 0.020 0.000 1.239 293 V CB -1.284 30.555 31.823 0.027 0.000 1.050 293 V HN 0.283 nan 8.190 nan 0.000 0.498 294 F N 1.724 121.677 119.950 0.005 0.000 2.063 294 F HA -0.248 4.278 4.527 -0.002 0.000 0.297 294 F C 1.923 177.767 175.800 0.074 0.000 1.099 294 F CA 2.752 60.778 58.000 0.042 0.000 1.220 294 F CB -0.368 38.656 39.000 0.040 0.000 0.972 294 F HN 0.124 nan 8.300 nan 0.000 0.487 295 L N 0.145 121.472 121.223 0.173 0.000 1.910 295 L HA -0.194 4.145 4.340 -0.002 0.000 0.221 295 L C 2.899 179.764 176.870 -0.007 0.000 1.084 295 L CA 1.621 56.455 54.840 -0.010 0.000 0.779 295 L CB -1.843 40.159 42.059 -0.096 0.000 0.888 295 L HN 0.369 nan 8.230 nan 0.000 0.432 296 G N -0.286 108.475 108.800 -0.064 0.000 2.785 296 G HA2 -0.314 3.645 3.960 -0.002 0.000 0.225 296 G HA3 -0.314 3.645 3.960 -0.002 0.000 0.225 296 G C 1.334 176.244 174.900 0.016 0.000 1.093 296 G CA 1.861 46.914 45.100 -0.079 0.000 0.740 296 G HN 0.439 nan 8.290 nan 0.000 0.629 297 V N -3.601 116.329 119.914 0.027 0.000 3.431 297 V HA 0.240 4.359 4.120 -0.002 0.000 0.253 297 V C 2.470 178.634 176.094 0.117 0.000 1.184 297 V CA 1.379 63.731 62.300 0.088 0.000 1.104 297 V CB 0.117 31.954 31.823 0.023 0.000 0.799 297 V HN 0.181 nan 8.190 nan 0.000 0.462 298 S N 0.784 116.497 115.700 0.021 0.000 2.353 298 S HA -0.005 4.464 4.470 -0.002 0.000 0.222 298 S C 0.795 175.479 174.600 0.140 0.000 1.035 298 S CA 1.695 59.898 58.200 0.006 0.000 1.025 298 S CB -0.453 62.718 63.200 -0.049 0.000 0.902 298 S HN 0.626 nan 8.310 nan 0.000 0.440 299 F N 0.735 120.730 119.950 0.076 0.000 2.606 299 F HA 0.436 4.962 4.527 -0.002 0.000 0.347 299 F C 0.244 176.291 175.800 0.410 0.000 1.207 299 F CA -0.903 57.211 58.000 0.189 0.000 1.306 299 F CB -0.315 38.867 39.000 0.302 0.000 1.657 299 F HN 0.168 nan 8.300 nan 0.000 0.606 300 F N 0.354 120.397 119.950 0.155 0.000 1.753 300 F HA -0.010 4.516 4.527 -0.002 0.000 0.316 300 F C 1.627 177.463 175.800 0.060 0.000 1.113 300 F CA 0.059 58.142 58.000 0.138 0.000 1.244 300 F CB -0.579 38.517 39.000 0.160 0.000 1.722 300 F HN -0.101 nan 8.300 nan 0.000 0.357 301 I N 1.808 122.451 120.570 0.121 0.000 2.194 301 I HA -0.170 3.999 4.170 -0.002 0.000 0.246 301 I C 1.961 178.026 176.117 -0.087 0.000 1.093 301 I CA 2.381 63.669 61.300 -0.019 0.000 1.355 301 I CB -1.436 36.599 38.000 0.059 0.000 1.046 301 I HN 0.389 nan 8.210 nan 0.000 0.413 302 L N -0.007 121.158 121.223 -0.097 0.000 2.376 302 L HA -0.091 4.248 4.340 -0.002 0.000 0.219 302 L C 2.560 179.324 176.870 -0.175 0.000 1.133 302 L CA 1.268 56.013 54.840 -0.159 0.000 0.816 302 L CB -0.374 41.516 42.059 -0.281 0.000 0.933 302 L HN 0.546 nan 8.230 nan 0.000 0.449 303 S N 0.950 116.525 115.700 -0.208 0.000 2.363 303 S HA -0.199 4.270 4.470 -0.002 0.000 0.218 303 S C 1.525 176.053 174.600 -0.120 0.000 1.035 303 S CA 1.871 59.877 58.200 -0.323 0.000 1.043 303 S CB -0.484 62.528 63.200 -0.314 0.000 0.986 303 S HN 0.515 nan 8.310 nan 0.000 0.423 304 L N 0.161 121.301 121.223 -0.137 0.000 2.737 304 L HA 0.488 4.827 4.340 -0.002 0.000 0.236 304 L C 1.258 178.132 176.870 0.007 0.000 1.219 304 L CA -0.009 54.842 54.840 0.019 0.000 1.021 304 L CB -0.052 42.087 42.059 0.134 0.000 1.291 304 L HN 0.227 nan 8.230 nan 0.000 0.470 305 I N 0.294 120.854 120.570 -0.017 0.000 3.783 305 I HA 0.116 4.285 4.170 -0.002 0.000 0.310 305 I C 1.432 177.545 176.117 -0.006 0.000 1.274 305 I CA 0.920 62.209 61.300 -0.019 0.000 1.294 305 I CB 0.386 38.362 38.000 -0.040 0.000 1.051 305 I HN 0.446 nan 8.210 nan 0.000 0.435 306 L N -0.508 120.735 121.223 0.034 0.000 2.781 306 L HA 0.239 4.578 4.340 -0.002 0.000 0.245 306 L C -0.235 176.656 176.870 0.035 0.000 1.118 306 L CA 0.038 54.898 54.840 0.033 0.000 0.918 306 L CB 0.115 42.224 42.059 0.082 0.000 1.246 306 L HN 0.015 nan 8.230 nan 0.000 0.526 307 E N 0.230 120.500 120.200 0.116 0.000 2.313 307 E HA -0.189 4.160 4.350 -0.002 0.000 0.190 307 E C -0.686 175.965 176.600 0.085 0.000 1.406 307 E CA 0.354 56.810 56.400 0.093 0.000 0.668 307 E CB -1.791 27.904 29.700 -0.009 0.000 1.135 307 E HN 0.320 nan 8.360 nan 0.000 0.375 308 Y N -0.315 119.982 120.300 -0.005 0.000 2.321 308 Y HA 0.070 4.619 4.550 -0.002 0.000 0.353 308 Y C 2.280 178.234 175.900 0.091 0.000 1.276 308 Y CA 0.015 58.139 58.100 0.040 0.000 1.545 308 Y CB 0.389 38.884 38.460 0.058 0.000 1.377 308 Y HN 0.156 nan 8.280 nan 0.000 0.650 309 T N -1.213 113.508 114.554 0.278 0.000 2.914 309 T HA -0.236 4.113 4.350 -0.002 0.000 0.412 309 T C 1.001 175.937 174.700 0.393 0.000 1.085 309 T CA 0.114 62.361 62.100 0.246 0.000 1.115 309 T CB 0.076 69.088 68.868 0.241 0.000 1.248 309 T HN 0.758 nan 8.240 nan 0.000 0.513 310 W N 0.282 121.639 121.300 0.095 0.000 2.474 310 W HA 0.023 4.682 4.660 -0.002 0.000 0.319 310 W C 2.106 178.713 176.519 0.147 0.000 1.165 310 W CA 0.205 57.609 57.345 0.098 0.000 1.356 310 W CB -0.213 29.300 29.460 0.089 0.000 1.172 310 W HN 0.431 nan 8.180 nan 0.000 0.478 311 L N -0.285 121.165 121.223 0.378 0.000 2.700 311 L HA 0.049 4.388 4.340 -0.002 0.000 0.240 311 L C 1.133 178.164 176.870 0.268 0.000 1.162 311 L CA 1.044 56.037 54.840 0.254 0.000 0.874 311 L CB -0.750 41.434 42.059 0.207 0.000 1.001 311 L HN 0.057 nan 8.230 nan 0.000 0.447 312 E N 0.261 120.652 120.200 0.319 0.000 2.474 312 E HA 0.179 4.528 4.350 -0.002 0.000 0.195 312 E C 1.810 178.626 176.600 0.359 0.000 1.039 312 E CA 0.468 57.083 56.400 0.357 0.000 0.881 312 E CB 0.427 30.368 29.700 0.401 0.000 0.970 312 E HN 0.638 nan 8.360 nan 0.000 0.486 313 A N 0.262 123.283 122.820 0.334 0.000 1.997 313 A HA 0.030 4.349 4.320 -0.002 0.000 0.198 313 A C 1.983 179.869 177.584 0.504 0.000 1.449 313 A CA 0.264 52.533 52.037 0.388 0.000 0.908 313 A CB -0.229 18.861 19.000 0.149 0.000 0.984 313 A HN 0.174 nan 8.150 nan 0.000 0.487 314 V N -1.214 118.905 119.914 0.341 0.000 3.141 314 V HA -0.009 4.110 4.120 -0.002 0.000 0.265 314 V C 1.619 177.784 176.094 0.118 0.000 1.126 314 V CA 1.544 63.951 62.300 0.177 0.000 1.141 314 V CB -0.378 31.484 31.823 0.065 0.000 0.743 314 V HN 0.410 nan 8.190 nan 0.000 0.492 315 I N -0.519 120.163 120.570 0.186 0.000 3.030 315 I HA 0.076 4.245 4.170 -0.002 0.000 0.270 315 I C 1.994 178.218 176.117 0.177 0.000 1.211 315 I CA 1.320 62.713 61.300 0.154 0.000 1.479 315 I CB -0.103 38.010 38.000 0.189 0.000 1.105 315 I HN 0.563 nan 8.210 nan 0.000 0.447 316 F N 0.487 120.510 119.950 0.121 0.000 2.743 316 F HA 0.065 4.591 4.527 -0.002 0.000 0.297 316 F C 1.971 177.787 175.800 0.028 0.000 1.131 316 F CA 0.727 58.802 58.000 0.126 0.000 1.426 316 F CB 0.066 39.173 39.000 0.178 0.000 1.116 316 F HN -0.137 nan 8.300 nan 0.000 0.583 317 L N 0.049 121.152 121.223 -0.201 0.000 1.993 317 L HA -0.172 4.167 4.340 -0.002 0.000 0.206 317 L C 2.389 178.989 176.870 -0.451 0.000 1.074 317 L CA 1.531 56.128 54.840 -0.406 0.000 0.746 317 L CB -0.633 41.235 42.059 -0.318 0.000 0.896 317 L HN 0.102 nan 8.230 nan 0.000 0.435 318 I N -0.135 120.257 120.570 -0.297 0.000 2.285 318 I HA -0.357 3.812 4.170 -0.002 0.000 0.253 318 I C 2.334 178.187 176.117 -0.440 0.000 1.104 318 I CA 1.563 62.691 61.300 -0.287 0.000 1.372 318 I CB -0.669 37.230 38.000 -0.169 0.000 1.057 318 I HN 0.395 nan 8.210 nan 0.000 0.431 319 G N 0.517 108.953 108.800 -0.607 0.000 2.496 319 G HA2 -0.223 3.736 3.960 -0.002 0.000 0.214 319 G HA3 -0.223 3.736 3.960 -0.002 0.000 0.214 319 G C 1.508 175.644 174.900 -1.273 0.000 1.234 319 G CA 0.537 44.884 45.100 -1.254 0.000 0.807 319 G HN 0.256 nan 8.290 nan 0.000 0.543 320 I N 0.952 120.835 120.570 -1.146 0.000 2.335 320 I HA -0.128 4.041 4.170 -0.002 0.000 0.251 320 I C 2.306 178.067 176.117 -0.593 0.000 1.129 320 I CA 0.283 61.067 61.300 -0.860 0.000 1.402 320 I CB -0.237 37.255 38.000 -0.848 0.000 1.069 320 I HN 0.034 nan 8.210 nan 0.000 0.424 321 I N -0.236 120.018 120.570 -0.526 0.000 2.040 321 I HA -0.272 3.897 4.170 -0.002 0.000 0.224 321 I C 2.613 178.492 176.117 -0.396 0.000 1.038 321 I CA 1.350 62.416 61.300 -0.389 0.000 1.330 321 I CB -1.676 36.129 38.000 -0.325 0.000 1.076 321 I HN 0.020 nan 8.210 nan 0.000 0.388 322 V N 1.359 121.037 119.914 -0.395 0.000 2.285 322 V HA -0.402 3.717 4.120 -0.002 0.000 0.260 322 V C 2.558 178.428 176.094 -0.374 0.000 1.089 322 V CA 2.485 64.567 62.300 -0.363 0.000 1.082 322 V CB -1.291 30.313 31.823 -0.365 0.000 0.681 322 V HN 0.644 nan 8.190 nan 0.000 0.452 323 A N -1.470 121.070 122.820 -0.468 0.000 2.225 323 A HA -0.177 4.142 4.320 -0.002 0.000 0.215 323 A C 2.041 179.421 177.584 -0.340 0.000 1.164 323 A CA 1.818 53.614 52.037 -0.402 0.000 0.710 323 A CB -0.441 18.277 19.000 -0.469 0.000 0.780 323 A HN 0.671 nan 8.150 nan 0.000 0.473 324 N N -0.670 117.821 118.700 -0.348 0.000 2.591 324 N HA 0.044 4.783 4.740 -0.002 0.000 0.200 324 N C 0.017 175.307 175.510 -0.366 0.000 1.040 324 N CA 0.355 53.217 53.050 -0.313 0.000 0.911 324 N CB 0.355 38.666 38.487 -0.294 0.000 1.259 324 N HN 0.122 nan 8.380 nan 0.000 0.438 325 V N 4.664 124.321 119.914 -0.429 0.000 2.475 325 V HA 0.001 4.120 4.120 -0.002 0.000 0.292 325 V C -1.590 174.245 176.094 -0.432 0.000 1.003 325 V CA -0.195 61.751 62.300 -0.590 0.000 1.120 325 V CB 0.949 32.534 31.823 -0.396 0.000 0.937 325 V HN 0.221 nan 8.190 nan 0.000 0.476 326 P HA -0.019 nan 4.420 nan 0.000 0.239 326 P C 1.000 178.249 177.300 -0.086 0.000 1.184 326 P CA 0.356 63.337 63.100 -0.198 0.000 0.760 326 P CB 0.283 31.915 31.700 -0.114 0.000 0.884 327 E N -1.112 119.051 120.200 -0.061 0.000 3.671 327 E HA -0.270 4.079 4.350 -0.002 0.000 0.402 327 E C 1.369 177.963 176.600 -0.010 0.000 1.493 327 E CA 2.146 58.524 56.400 -0.036 0.000 1.548 327 E CB -2.171 27.473 29.700 -0.093 0.000 1.459 327 E HN 0.313 nan 8.360 nan 0.000 0.351 328 G N -0.101 108.676 108.800 -0.039 0.000 2.991 328 G HA2 0.266 4.225 3.960 -0.002 0.000 0.262 328 G HA3 0.266 4.225 3.960 -0.002 0.000 0.262 328 G C 0.287 175.195 174.900 0.012 0.000 0.765 328 G CA 0.454 45.536 45.100 -0.030 0.000 2.051 328 G HN 0.161 nan 8.290 nan 0.000 0.602 329 L N 0.398 121.647 121.223 0.043 0.000 2.681 329 L HA 0.373 4.712 4.340 -0.002 0.000 0.163 329 L C 2.046 178.986 176.870 0.116 0.000 1.188 329 L CA 0.306 55.188 54.840 0.070 0.000 0.944 329 L CB -0.667 41.420 42.059 0.046 0.000 1.835 329 L HN 0.141 nan 8.230 nan 0.000 0.510 330 L N 0.876 122.192 121.223 0.155 0.000 2.456 330 L HA -0.192 4.147 4.340 -0.002 0.000 0.225 330 L C 1.836 178.805 176.870 0.165 0.000 1.142 330 L CA 1.645 56.583 54.840 0.163 0.000 0.796 330 L CB -0.697 41.438 42.059 0.126 0.000 0.920 330 L HN 0.602 nan 8.230 nan 0.000 0.446 331 A N -2.404 120.500 122.820 0.140 0.000 2.211 331 A HA 0.007 4.326 4.320 -0.002 0.000 0.208 331 A C 2.085 179.830 177.584 0.268 0.000 1.250 331 A CA 0.559 52.742 52.037 0.244 0.000 0.935 331 A CB 0.036 18.989 19.000 -0.079 0.000 0.982 331 A HN 0.195 nan 8.150 nan 0.000 0.490 332 T N 0.452 115.092 114.554 0.144 0.000 2.699 332 T HA -0.159 4.189 4.350 -0.002 0.000 0.268 332 T C 1.894 176.687 174.700 0.154 0.000 1.036 332 T CA 2.322 64.509 62.100 0.146 0.000 1.147 332 T CB -0.404 68.528 68.868 0.108 0.000 0.862 332 T HN 0.258 nan 8.240 nan 0.000 0.446 333 V N -0.022 119.982 119.914 0.150 0.000 2.283 333 V HA -0.103 4.016 4.120 -0.002 0.000 0.243 333 V C 2.660 178.834 176.094 0.133 0.000 1.039 333 V CA 2.011 64.389 62.300 0.130 0.000 1.016 333 V CB -1.630 30.275 31.823 0.136 0.000 0.650 333 V HN 0.376 nan 8.190 nan 0.000 0.449 334 T N 0.176 114.836 114.554 0.177 0.000 2.684 334 T HA -0.244 4.105 4.350 -0.002 0.000 0.267 334 T C 1.855 176.630 174.700 0.125 0.000 1.032 334 T CA 2.158 64.361 62.100 0.172 0.000 1.155 334 T CB -0.323 68.697 68.868 0.253 0.000 0.857 334 T HN 0.273 nan 8.240 nan 0.000 0.457 335 V N -0.153 119.851 119.914 0.149 0.000 2.446 335 V HA -0.117 4.001 4.120 -0.002 0.000 0.244 335 V C 2.718 178.845 176.094 0.055 0.000 1.039 335 V CA 1.273 63.628 62.300 0.091 0.000 1.045 335 V CB -0.445 31.467 31.823 0.149 0.000 0.681 335 V HN 0.629 nan 8.190 nan 0.000 0.459 336 C N -0.377 118.960 119.300 0.062 0.000 2.391 336 C HA -0.210 4.249 4.460 -0.002 0.000 0.276 336 C C 2.473 177.458 174.990 -0.007 0.000 1.217 336 C CA 0.868 59.895 59.018 0.015 0.000 1.766 336 C CB -1.161 26.596 27.740 0.030 0.000 2.046 336 C HN 0.448 nan 8.230 nan 0.000 0.475 337 L N 1.294 122.531 121.223 0.023 0.000 1.925 337 L HA -0.129 4.210 4.340 -0.002 0.000 0.215 337 L C 2.843 179.713 176.870 0.000 0.000 1.082 337 L CA 2.802 57.649 54.840 0.013 0.000 0.764 337 L CB -1.871 40.206 42.059 0.031 0.000 0.887 337 L HN 0.385 nan 8.230 nan 0.000 0.432 338 T N -1.883 112.693 114.554 0.036 0.000 2.950 338 T HA -0.255 4.094 4.350 -0.002 0.000 0.264 338 T C 1.850 176.545 174.700 -0.008 0.000 1.133 338 T CA 1.402 63.531 62.100 0.047 0.000 1.127 338 T CB -0.610 68.314 68.868 0.093 0.000 0.792 338 T HN 0.207 nan 8.240 nan 0.000 0.570 339 L N 1.178 122.370 121.223 -0.051 0.000 2.051 339 L HA -0.009 4.330 4.340 -0.002 0.000 0.202 339 L C 3.235 180.032 176.870 -0.122 0.000 1.097 339 L CA 1.650 56.421 54.840 -0.115 0.000 0.762 339 L CB -1.377 40.542 42.059 -0.234 0.000 0.913 339 L HN 0.378 nan 8.230 nan 0.000 0.447 340 T N -1.407 113.067 114.554 -0.133 0.000 2.869 340 T HA -0.170 4.179 4.350 -0.002 0.000 0.270 340 T C 1.742 176.399 174.700 -0.073 0.000 1.082 340 T CA 0.987 63.022 62.100 -0.108 0.000 1.123 340 T CB -0.454 68.362 68.868 -0.087 0.000 0.856 340 T HN 0.349 nan 8.240 nan 0.000 0.499 341 A N 2.971 125.756 122.820 -0.058 0.000 1.824 341 A HA -0.064 4.255 4.320 -0.002 0.000 0.215 341 A C 2.288 179.844 177.584 -0.047 0.000 1.209 341 A CA 1.326 53.333 52.037 -0.050 0.000 0.614 341 A CB -0.594 18.382 19.000 -0.040 0.000 0.852 341 A HN 0.407 nan 8.150 nan 0.000 0.447 342 K N -0.230 120.148 120.400 -0.037 0.000 2.589 342 K HA -0.147 4.171 4.320 -0.002 0.000 0.195 342 K C 1.871 178.449 176.600 -0.037 0.000 1.042 342 K CA 0.896 57.164 56.287 -0.031 0.000 0.940 342 K CB -0.207 32.282 32.500 -0.018 0.000 0.776 342 K HN 0.478 nan 8.250 nan 0.000 0.487 343 R N 0.440 120.910 120.500 -0.050 0.000 2.090 343 R HA 0.134 4.473 4.340 -0.002 0.000 0.219 343 R C 2.173 178.447 176.300 -0.043 0.000 1.100 343 R CA 0.415 56.485 56.100 -0.050 0.000 0.991 343 R CB 0.065 30.321 30.300 -0.072 0.000 0.893 343 R HN 0.110 nan 8.270 nan 0.000 0.443 344 M N 0.057 119.629 119.600 -0.047 0.000 2.229 344 M HA -0.020 4.459 4.480 -0.002 0.000 0.264 344 M C 2.237 178.513 176.300 -0.041 0.000 1.063 344 M CA 1.414 56.686 55.300 -0.046 0.000 1.114 344 M CB -0.115 32.453 32.600 -0.053 0.000 1.387 344 M HN 0.168 nan 8.290 nan 0.000 0.420 345 A N 0.400 123.196 122.820 -0.040 0.000 2.194 345 A HA -0.156 4.163 4.320 -0.002 0.000 0.220 345 A C 2.091 179.658 177.584 -0.029 0.000 1.162 345 A CA 1.427 53.443 52.037 -0.036 0.000 0.674 345 A CB -0.657 18.322 19.000 -0.035 0.000 0.789 345 A HN 0.475 nan 8.150 nan 0.000 0.470 346 R N -0.879 119.604 120.500 -0.028 0.000 2.210 346 R HA 0.076 4.415 4.340 -0.002 0.000 0.203 346 R C 0.914 177.201 176.300 -0.023 0.000 1.010 346 R CA 0.477 56.564 56.100 -0.023 0.000 1.008 346 R CB 0.055 30.343 30.300 -0.019 0.000 0.923 346 R HN 0.222 nan 8.270 nan 0.000 0.469 347 K N 0.734 121.118 120.400 -0.027 0.000 2.476 347 K HA 0.080 4.399 4.320 -0.002 0.000 0.196 347 K C 0.020 176.603 176.600 -0.028 0.000 1.025 347 K CA 0.042 56.313 56.287 -0.026 0.000 1.138 347 K CB 0.183 32.665 32.500 -0.031 0.000 0.860 347 K HN 0.150 nan 8.250 nan 0.000 0.515 348 N N -0.032 118.652 118.700 -0.028 0.000 2.925 348 N HA -0.170 4.569 4.740 -0.002 0.000 0.244 348 N C -0.481 175.009 175.510 -0.033 0.000 1.000 348 N CA 0.727 53.761 53.050 -0.027 0.000 0.895 348 N CB -1.747 36.727 38.487 -0.021 0.000 1.119 348 N HN 0.336 nan 8.380 nan 0.000 0.569 349 C N 1.689 120.965 119.300 -0.040 0.000 2.265 349 C HA 0.665 5.124 4.460 -0.002 0.000 0.332 349 C C 0.816 175.776 174.990 -0.050 0.000 1.248 349 C CA -0.888 58.101 59.018 -0.049 0.000 1.727 349 C CB -0.618 27.086 27.740 -0.061 0.000 2.348 349 C HN 0.319 nan 8.230 nan 0.000 0.519 350 L N 6.892 128.086 121.223 -0.049 0.000 2.334 350 L HA 0.732 5.071 4.340 -0.002 0.000 0.277 350 L C -0.612 176.222 176.870 -0.061 0.000 1.075 350 L CA -0.127 54.682 54.840 -0.051 0.000 0.804 350 L CB 1.393 43.425 42.059 -0.046 0.000 1.174 350 L HN 0.579 nan 8.230 nan 0.000 0.438 351 V N 5.422 125.296 119.914 -0.066 0.000 2.409 351 V HA 0.330 4.449 4.120 -0.002 0.000 0.291 351 V C 0.419 176.456 176.094 -0.095 0.000 1.020 351 V CA -0.591 61.662 62.300 -0.079 0.000 0.848 351 V CB 1.272 33.048 31.823 -0.079 0.000 0.990 351 V HN 0.820 nan 8.190 nan 0.000 0.430 352 K N 2.173 122.515 120.400 -0.098 0.000 2.354 352 K HA 0.258 4.577 4.320 -0.002 0.000 0.194 352 K C -0.063 176.453 176.600 -0.139 0.000 1.045 352 K CA 0.198 56.419 56.287 -0.110 0.000 1.026 352 K CB 0.381 32.827 32.500 -0.089 0.000 0.866 352 K HN 0.512 nan 8.250 nan 0.000 0.530 353 N N 1.308 119.928 118.700 -0.133 0.000 2.577 353 N HA 0.068 4.807 4.740 -0.002 0.000 0.275 353 N C 0.251 175.678 175.510 -0.139 0.000 1.091 353 N CA -0.239 52.724 53.050 -0.146 0.000 0.843 353 N CB 1.774 40.191 38.487 -0.115 0.000 1.295 353 N HN -0.097 nan 8.380 nan 0.000 0.530 354 L N 2.449 123.564 121.223 -0.180 0.000 1.978 354 L HA -0.200 4.139 4.340 -0.002 0.000 0.218 354 L C 1.830 178.649 176.870 -0.086 0.000 1.075 354 L CA 2.037 56.793 54.840 -0.139 0.000 0.767 354 L CB -0.235 41.724 42.059 -0.166 0.000 0.890 354 L HN 0.570 nan 8.230 nan 0.000 0.434 355 E N -0.802 119.349 120.200 -0.081 0.000 2.324 355 E HA -0.318 4.031 4.350 -0.002 0.000 0.205 355 E C 1.890 178.459 176.600 -0.052 0.000 1.031 355 E CA 1.252 57.620 56.400 -0.053 0.000 0.836 355 E CB -0.361 29.305 29.700 -0.057 0.000 0.742 355 E HN 0.688 nan 8.360 nan 0.000 0.491 356 A N 0.738 123.518 122.820 -0.067 0.000 2.072 356 A HA -0.006 4.312 4.320 -0.002 0.000 0.216 356 A C 2.432 179.979 177.584 -0.062 0.000 1.156 356 A CA 0.347 52.344 52.037 -0.067 0.000 0.701 356 A CB -0.097 18.857 19.000 -0.077 0.000 0.816 356 A HN 0.109 nan 8.150 nan 0.000 0.458 357 V N 0.381 120.261 119.914 -0.056 0.000 2.568 357 V HA -0.242 3.877 4.120 -0.002 0.000 0.253 357 V C 2.534 178.606 176.094 -0.038 0.000 1.072 357 V CA 2.206 64.476 62.300 -0.049 0.000 1.084 357 V CB -0.635 31.162 31.823 -0.043 0.000 0.676 357 V HN 0.644 nan 8.190 nan 0.000 0.469 358 E N 0.940 121.125 120.200 -0.024 0.000 2.014 358 E HA -0.160 4.189 4.350 -0.002 0.000 0.190 358 E C 2.302 178.870 176.600 -0.054 0.000 0.980 358 E CA 1.926 58.319 56.400 -0.011 0.000 0.807 358 E CB -0.618 29.099 29.700 0.028 0.000 0.770 358 E HN 0.600 nan 8.360 nan 0.000 0.451 359 T N 2.734 117.251 114.554 -0.062 0.000 2.656 359 T HA -0.282 4.067 4.350 -0.002 0.000 0.262 359 T C 1.893 176.534 174.700 -0.099 0.000 1.070 359 T CA 2.139 64.189 62.100 -0.083 0.000 1.160 359 T CB -0.746 68.077 68.868 -0.076 0.000 0.855 359 T HN 0.132 nan 8.240 nan 0.000 0.456 360 L N 1.287 122.455 121.223 -0.092 0.000 2.129 360 L HA -0.013 4.326 4.340 -0.002 0.000 0.212 360 L C 2.529 179.335 176.870 -0.107 0.000 1.087 360 L CA 2.058 56.839 54.840 -0.098 0.000 0.757 360 L CB -1.048 40.952 42.059 -0.097 0.000 0.896 360 L HN 0.388 nan 8.230 nan 0.000 0.434 361 G N -2.432 106.299 108.800 -0.116 0.000 2.396 361 G HA2 -0.169 3.790 3.960 -0.002 0.000 0.214 361 G HA3 -0.169 3.790 3.960 -0.002 0.000 0.214 361 G C 1.381 176.173 174.900 -0.181 0.000 1.166 361 G CA 0.606 45.626 45.100 -0.134 0.000 0.793 361 G HN 0.441 nan 8.290 nan 0.000 0.533 362 S N 0.902 116.468 115.700 -0.224 0.000 2.727 362 S HA 0.096 4.565 4.470 -0.002 0.000 0.226 362 S C 0.592 175.086 174.600 -0.177 0.000 0.963 362 S CA 0.141 58.181 58.200 -0.266 0.000 0.950 362 S CB -0.091 62.926 63.200 -0.304 0.000 0.779 362 S HN 0.291 nan 8.310 nan 0.000 0.532 363 T N 2.050 116.521 114.554 -0.139 0.000 2.806 363 T HA 0.287 4.636 4.350 -0.002 0.000 0.290 363 T C 1.139 175.787 174.700 -0.087 0.000 0.966 363 T CA -0.436 61.601 62.100 -0.105 0.000 1.060 363 T CB 1.467 70.279 68.868 -0.094 0.000 0.927 363 T HN 0.302 nan 8.240 nan 0.000 0.485 364 S N 1.001 116.656 115.700 -0.074 0.000 2.578 364 S HA 0.221 4.690 4.470 -0.002 0.000 0.228 364 S C 0.434 175.009 174.600 -0.042 0.000 1.022 364 S CA -0.394 57.771 58.200 -0.060 0.000 0.967 364 S CB 0.352 63.515 63.200 -0.062 0.000 0.914 364 S HN 0.618 nan 8.310 nan 0.000 0.515 365 T N 2.313 116.842 114.554 -0.041 0.000 2.952 365 T HA 0.597 4.946 4.350 -0.002 0.000 0.305 365 T C -0.943 173.743 174.700 -0.023 0.000 1.064 365 T CA -0.548 61.537 62.100 -0.025 0.000 1.008 365 T CB 1.653 70.508 68.868 -0.022 0.000 1.078 365 T HN 0.237 nan 8.240 nan 0.000 0.459 366 I N 1.491 122.059 120.570 -0.003 0.000 2.404 366 I HA 0.515 4.684 4.170 -0.002 0.000 0.293 366 I C -0.456 175.676 176.117 0.025 0.000 0.992 366 I CA -0.813 60.493 61.300 0.010 0.000 1.149 366 I CB 1.573 39.594 38.000 0.035 0.000 1.315 366 I HN 0.560 nan 8.210 nan 0.000 0.446 367 C N 3.831 123.140 119.300 0.015 0.000 2.319 367 C HA 0.531 4.990 4.460 -0.002 0.000 0.323 367 C C 0.396 175.407 174.990 0.035 0.000 1.277 367 C CA -0.473 58.552 59.018 0.013 0.000 1.517 367 C CB 0.937 28.657 27.740 -0.032 0.000 2.206 367 C HN 0.781 nan 8.230 nan 0.000 0.486 368 S N 2.301 118.031 115.700 0.050 0.000 2.552 368 S HA 0.280 4.749 4.470 -0.002 0.000 0.314 368 S C -0.624 173.987 174.600 0.019 0.000 1.099 368 S CA -0.359 57.881 58.200 0.067 0.000 1.070 368 S CB 0.473 63.738 63.200 0.108 0.000 0.998 368 S HN 0.859 nan 8.310 nan 0.000 0.474 369 D N 3.531 123.938 120.400 0.012 0.000 2.583 369 D HA -0.040 4.599 4.640 -0.002 0.000 0.232 369 D C 0.962 177.244 176.300 -0.030 0.000 1.128 369 D CA 0.591 54.585 54.000 -0.011 0.000 0.859 369 D CB 0.855 41.651 40.800 -0.007 0.000 1.169 369 D HN 0.701 nan 8.370 nan 0.000 0.481 370 K N 2.348 122.721 120.400 -0.045 0.000 1.995 370 K HA -0.057 4.262 4.320 -0.002 0.000 0.207 370 K C 0.423 176.983 176.600 -0.067 0.000 1.041 370 K CA 0.438 56.685 56.287 -0.067 0.000 0.942 370 K CB -0.312 32.153 32.500 -0.057 0.000 0.731 370 K HN 0.386 nan 8.250 nan 0.000 0.439 371 T N 0.529 115.052 114.554 -0.051 0.000 2.831 371 T HA 0.176 4.525 4.350 -0.002 0.000 0.291 371 T C 0.679 175.357 174.700 -0.037 0.000 0.981 371 T CA 1.025 63.099 62.100 -0.044 0.000 1.174 371 T CB 0.423 69.268 68.868 -0.039 0.000 0.929 371 T HN 0.681 nan 8.240 nan 0.000 0.532 372 G N 3.876 112.654 108.800 -0.036 0.000 2.363 372 G HA2 -0.334 3.625 3.960 -0.002 0.000 0.238 372 G HA3 -0.334 3.625 3.960 -0.002 0.000 0.238 372 G C 1.134 176.026 174.900 -0.013 0.000 1.062 372 G CA 0.759 45.846 45.100 -0.022 0.000 0.629 372 G HN 0.691 nan 8.290 nan 0.000 0.514 373 T N 0.788 115.331 114.554 -0.019 0.000 3.065 373 T HA 0.302 4.651 4.350 -0.002 0.000 0.234 373 T C 2.359 176.995 174.700 -0.106 0.000 1.017 373 T CA 0.998 63.105 62.100 0.012 0.000 1.292 373 T CB -0.343 68.554 68.868 0.049 0.000 1.005 373 T HN 0.165 nan 8.240 nan 0.000 0.423 374 L N 1.370 122.459 121.223 -0.223 0.000 2.079 374 L HA -0.045 4.294 4.340 -0.002 0.000 0.210 374 L C 1.728 178.446 176.870 -0.253 0.000 1.081 374 L CA 1.062 55.663 54.840 -0.398 0.000 0.752 374 L CB -0.535 41.345 42.059 -0.298 0.000 0.896 374 L HN 0.516 nan 8.230 nan 0.000 0.433 375 T N -5.107 109.362 114.554 -0.143 0.000 2.841 375 T HA 0.224 4.573 4.350 -0.002 0.000 0.276 375 T C 0.390 175.054 174.700 -0.060 0.000 1.003 375 T CA -0.790 61.254 62.100 -0.094 0.000 0.995 375 T CB 1.334 70.158 68.868 -0.073 0.000 1.260 375 T HN 0.146 nan 8.240 nan 0.000 0.581 376 Q N -0.113 119.661 119.800 -0.043 0.000 2.319 376 Q HA 0.216 4.555 4.340 -0.002 0.000 0.202 376 Q C 0.219 176.208 176.000 -0.019 0.000 0.896 376 Q CA 0.074 55.862 55.803 -0.026 0.000 0.942 376 Q CB -0.363 28.363 28.738 -0.020 0.000 1.083 376 Q HN 0.838 nan 8.270 nan 0.000 0.510 377 N N 1.741 120.427 118.700 -0.024 0.000 2.705 377 N HA -0.228 4.511 4.740 -0.002 0.000 0.255 377 N C -1.127 174.376 175.510 -0.012 0.000 1.008 377 N CA 0.404 53.444 53.050 -0.018 0.000 0.742 377 N CB -0.311 38.166 38.487 -0.017 0.000 0.906 377 N HN 0.253 nan 8.380 nan 0.000 0.541 378 R N 1.493 121.986 120.500 -0.012 0.000 2.575 378 R HA 0.233 4.572 4.340 -0.002 0.000 0.292 378 R C -0.546 175.748 176.300 -0.009 0.000 1.246 378 R CA -0.905 55.191 56.100 -0.006 0.000 0.973 378 R CB 0.460 30.760 30.300 -0.001 0.000 1.187 378 R HN 0.308 nan 8.270 nan 0.000 0.478 379 M N 2.582 122.178 119.600 -0.007 0.000 2.261 379 M HA 0.080 4.559 4.480 -0.002 0.000 0.350 379 M C -0.904 175.393 176.300 -0.006 0.000 1.343 379 M CA 1.491 56.787 55.300 -0.007 0.000 1.003 379 M CB 0.543 33.141 32.600 -0.003 0.000 1.848 379 M HN 0.536 nan 8.290 nan 0.000 0.456 380 T N 3.955 118.501 114.554 -0.012 0.000 3.047 380 T HA 0.404 4.753 4.350 -0.002 0.000 0.340 380 T C -1.452 173.226 174.700 -0.037 0.000 1.421 380 T CA -0.742 61.347 62.100 -0.019 0.000 1.090 380 T CB 1.016 69.870 68.868 -0.023 0.000 1.292 380 T HN 0.422 nan 8.240 nan 0.000 0.480 381 V N 3.738 123.628 119.914 -0.040 0.000 2.458 381 V HA 0.331 4.450 4.120 -0.002 0.000 0.287 381 V C 1.298 177.310 176.094 -0.138 0.000 1.009 381 V CA 0.932 63.194 62.300 -0.063 0.000 1.091 381 V CB 0.473 32.259 31.823 -0.061 0.000 0.960 381 V HN 1.085 nan 8.190 nan 0.000 0.476 382 A N 3.946 126.669 122.820 -0.161 0.000 2.085 382 A HA 0.326 4.645 4.320 -0.002 0.000 0.208 382 A C 0.711 177.885 177.584 -0.684 0.000 1.191 382 A CA 0.517 52.341 52.037 -0.355 0.000 0.799 382 A CB 0.096 18.951 19.000 -0.241 0.000 0.877 382 A HN 0.885 nan 8.150 nan 0.000 0.473 383 H N -3.584 115.444 119.070 -0.071 0.000 2.933 383 H HA 0.761 5.316 4.556 -0.002 0.000 0.310 383 H C -1.100 174.213 175.328 -0.025 0.000 1.351 383 H CA -0.605 55.410 56.048 -0.055 0.000 1.137 383 H CB 1.399 31.143 29.762 -0.031 0.000 1.853 383 H HN 0.217 nan 8.280 nan 0.000 0.539 384 M N -0.013 119.709 119.600 0.205 0.000 2.682 384 M HA 0.199 4.678 4.480 -0.002 0.000 0.272 384 M C -1.560 174.919 176.300 0.297 0.000 1.232 384 M CA -0.315 55.115 55.300 0.216 0.000 0.849 384 M CB 2.859 35.592 32.600 0.222 0.000 1.695 384 M HN 0.622 nan 8.290 nan 0.000 0.481 385 W N 1.327 122.658 121.300 0.051 0.000 1.513 385 W HA 0.535 5.194 4.660 -0.001 0.000 0.311 385 W C -0.645 175.894 176.519 0.033 0.000 0.821 385 W CA -0.440 56.905 57.345 0.001 0.000 2.622 385 W CB 0.748 30.229 29.460 0.035 0.000 1.907 385 W HN 0.474 nan 8.180 nan 0.000 0.562 386 S N 1.432 117.194 115.700 0.102 0.000 2.569 386 S HA -0.062 4.407 4.470 -0.002 0.000 0.274 386 S C 0.369 174.824 174.600 -0.242 0.000 1.353 386 S CA 0.372 58.611 58.200 0.065 0.000 1.023 386 S CB 0.384 63.826 63.200 0.403 0.000 0.876 386 S HN 0.327 nan 8.310 nan 0.000 0.540 387 D N 1.282 121.506 120.400 -0.293 0.000 2.764 387 D HA -0.252 4.387 4.640 -0.002 0.000 0.223 387 D C 0.671 176.683 176.300 -0.479 0.000 1.207 387 D CA 1.226 54.969 54.000 -0.429 0.000 0.614 387 D CB -1.750 38.783 40.800 -0.445 0.000 1.007 387 D HN 0.834 nan 8.370 nan 0.000 0.407 388 N N -1.523 116.698 118.700 -0.797 0.000 2.895 388 N HA -0.331 4.408 4.740 -0.002 0.000 0.237 388 N C -0.058 175.162 175.510 -0.483 0.000 0.934 388 N CA 2.167 54.752 53.050 -0.775 0.000 0.984 388 N CB -0.326 37.979 38.487 -0.303 0.000 1.089 388 N HN 0.506 nan 8.380 nan 0.000 0.604 389 Q N 0.599 120.134 119.800 -0.442 0.000 2.235 389 Q HA 0.615 4.954 4.340 -0.002 0.000 0.256 389 Q C -0.557 175.189 176.000 -0.422 0.000 0.951 389 Q CA -0.692 54.955 55.803 -0.260 0.000 0.890 389 Q CB 1.033 29.702 28.738 -0.116 0.000 1.279 389 Q HN 0.347 nan 8.270 nan 0.000 0.444 390 I N 4.378 124.870 120.570 -0.130 0.000 2.352 390 I HA 0.250 4.419 4.170 -0.002 0.000 0.290 390 I C 0.002 176.012 176.117 -0.177 0.000 1.036 390 I CA -0.647 60.614 61.300 -0.065 0.000 1.336 390 I CB 0.300 38.332 38.000 0.053 0.000 1.407 390 I HN 0.525 nan 8.210 nan 0.000 0.497 391 H N 5.365 124.544 119.070 0.181 0.000 2.525 391 H HA 0.520 5.075 4.556 -0.002 0.000 0.340 391 H C -0.482 174.933 175.328 0.145 0.000 1.168 391 H CA -0.773 55.365 56.048 0.151 0.000 1.247 391 H CB 1.580 31.446 29.762 0.174 0.000 1.568 391 H HN 0.596 nan 8.280 nan 0.000 0.536 392 E N 0.412 120.741 120.200 0.214 0.000 2.293 392 E HA 0.749 5.098 4.350 -0.002 0.000 0.270 392 E C -1.190 175.340 176.600 -0.117 0.000 0.879 392 E CA -1.381 55.045 56.400 0.043 0.000 0.756 392 E CB 2.600 32.374 29.700 0.124 0.000 1.208 392 E HN 0.585 nan 8.360 nan 0.000 0.428 393 A N 1.573 124.228 122.820 -0.275 0.000 2.347 393 A HA 0.460 4.779 4.320 -0.002 0.000 0.301 393 A C -0.985 176.503 177.584 -0.159 0.000 1.163 393 A CA -0.767 51.116 52.037 -0.256 0.000 0.860 393 A CB 1.241 19.988 19.000 -0.422 0.000 1.367 393 A HN 0.665 nan 8.150 nan 0.000 0.461 394 D N 0.674 121.016 120.400 -0.098 0.000 2.411 394 D HA 0.338 4.977 4.640 -0.002 0.000 0.225 394 D C 0.561 176.820 176.300 -0.068 0.000 1.156 394 D CA 0.177 54.140 54.000 -0.061 0.000 0.874 394 D CB 0.522 41.308 40.800 -0.024 0.000 1.034 394 D HN 0.389 nan 8.370 nan 0.000 0.502 395 T N 0.247 114.754 114.554 -0.078 0.000 3.278 395 T HA 0.087 4.436 4.350 -0.002 0.000 0.251 395 T C 1.196 175.867 174.700 -0.047 0.000 1.039 395 T CA -0.452 61.605 62.100 -0.072 0.000 0.935 395 T CB -0.427 68.386 68.868 -0.091 0.000 1.034 395 T HN 0.416 nan 8.240 nan 0.000 0.575 396 T N -0.220 114.313 114.554 -0.035 0.000 2.867 396 T HA 0.376 4.725 4.350 -0.002 0.000 0.286 396 T C 0.741 175.431 174.700 -0.017 0.000 1.022 396 T CA -0.615 61.471 62.100 -0.024 0.000 0.933 396 T CB 1.132 69.989 68.868 -0.018 0.000 1.280 396 T HN 0.152 nan 8.240 nan 0.000 0.566 397 E N -0.347 119.847 120.200 -0.011 0.000 2.447 397 E HA 0.163 4.512 4.350 -0.002 0.000 0.204 397 E C 1.249 177.847 176.600 -0.003 0.000 0.977 397 E CA 0.188 56.585 56.400 -0.005 0.000 0.950 397 E CB 0.132 29.831 29.700 -0.003 0.000 0.975 397 E HN 0.828 nan 8.360 nan 0.000 0.496 398 N N -0.689 118.008 118.700 -0.005 0.000 2.297 398 N HA 0.002 4.741 4.740 -0.002 0.000 0.208 398 N C -0.353 175.154 175.510 -0.006 0.000 1.176 398 N CA -0.211 52.836 53.050 -0.005 0.000 0.882 398 N CB 0.562 39.046 38.487 -0.004 0.000 1.134 398 N HN -0.250 nan 8.380 nan 0.000 0.489 399 Q N -0.331 119.465 119.800 -0.007 0.000 2.387 399 Q HA -0.115 4.224 4.340 -0.002 0.000 0.287 399 Q C -0.152 175.844 176.000 -0.007 0.000 1.367 399 Q CA 0.613 56.412 55.803 -0.007 0.000 0.690 399 Q CB -2.503 26.233 28.738 -0.003 0.000 1.090 399 Q HN 0.427 nan 8.270 nan 0.000 0.376 400 S N -0.430 115.265 115.700 -0.008 0.000 2.436 400 S HA -0.051 4.418 4.470 -0.002 0.000 0.215 400 S C 1.335 175.931 174.600 -0.007 0.000 1.047 400 S CA 1.073 59.269 58.200 -0.007 0.000 1.086 400 S CB -0.318 62.878 63.200 -0.007 0.000 1.072 400 S HN 0.757 nan 8.310 nan 0.000 0.411 401 G N 1.433 110.229 108.800 -0.007 0.000 2.413 401 G HA2 0.286 4.245 3.960 -0.002 0.000 0.300 401 G HA3 0.286 4.245 3.960 -0.002 0.000 0.300 401 G C 0.073 174.972 174.900 -0.002 0.000 1.370 401 G CA 0.030 45.127 45.100 -0.005 0.000 1.110 401 G HN 0.429 nan 8.290 nan 0.000 0.596 402 V N -1.212 118.705 119.914 0.005 0.000 3.109 402 V HA 0.468 4.587 4.120 -0.002 0.000 0.317 402 V C 0.908 177.022 176.094 0.033 0.000 1.074 402 V CA -0.397 61.908 62.300 0.008 0.000 1.033 402 V CB 1.181 33.009 31.823 0.009 0.000 1.111 402 V HN 0.775 nan 8.190 nan 0.000 0.458 403 S N 0.611 116.324 115.700 0.022 0.000 2.074 403 S HA 0.320 4.789 4.470 -0.002 0.000 0.169 403 S C 0.635 175.373 174.600 0.230 0.000 1.394 403 S CA 1.313 59.563 58.200 0.083 0.000 1.971 403 S CB -0.187 62.936 63.200 -0.127 0.000 0.449 403 S HN 1.041 nan 8.310 nan 0.000 0.364 404 F N -2.250 117.568 119.950 -0.219 0.000 2.817 404 F HA 0.473 4.999 4.527 -0.001 0.000 0.419 404 F C -0.226 175.375 175.800 -0.331 0.000 0.901 404 F CA -0.101 57.760 58.000 -0.231 0.000 0.920 404 F CB 0.683 39.543 39.000 -0.233 0.000 1.287 404 F HN 0.459 nan 8.300 nan 0.000 0.562 405 D N 0.794 120.592 120.400 -1.004 0.000 3.168 405 D HA 0.031 4.670 4.640 -0.002 0.000 0.308 405 D C -0.736 174.933 176.300 -1.052 0.000 1.189 405 D CA 0.395 53.918 54.000 -0.795 0.000 0.696 405 D CB 0.332 40.797 40.800 -0.557 0.000 1.318 405 D HN 0.103 nan 8.370 nan 0.000 0.482 406 K N -0.690 119.346 120.400 -0.607 0.000 1.238 406 K HA -0.093 4.226 4.320 -0.002 0.000 0.088 406 K C 1.352 177.861 176.600 -0.152 0.000 2.293 406 K CA 1.432 57.464 56.287 -0.424 0.000 0.953 406 K CB -1.360 30.867 32.500 -0.455 0.000 2.519 406 K HN 0.609 nan 8.250 nan 0.000 0.316 407 T N -0.466 113.988 114.554 -0.167 0.000 2.653 407 T HA -0.108 4.241 4.350 -0.002 0.000 0.268 407 T C 1.160 175.851 174.700 -0.015 0.000 1.035 407 T CA 1.932 63.983 62.100 -0.082 0.000 1.154 407 T CB -0.402 68.416 68.868 -0.083 0.000 0.862 407 T HN 0.258 nan 8.240 nan 0.000 0.441 408 S N 0.339 116.049 115.700 0.015 0.000 2.572 408 S HA 0.558 5.027 4.470 -0.002 0.000 0.279 408 S C 1.565 176.230 174.600 0.108 0.000 1.341 408 S CA -0.150 58.109 58.200 0.098 0.000 1.043 408 S CB 0.820 64.115 63.200 0.160 0.000 0.887 408 S HN 0.647 nan 8.310 nan 0.000 0.516 409 A N 3.881 126.764 122.820 0.104 0.000 1.897 409 A HA 0.030 4.349 4.320 -0.002 0.000 0.215 409 A C 2.207 179.840 177.584 0.081 0.000 1.181 409 A CA 1.924 54.014 52.037 0.089 0.000 0.620 409 A CB -1.734 17.313 19.000 0.079 0.000 0.821 409 A HN 0.933 nan 8.150 nan 0.000 0.443 410 T N -0.757 113.840 114.554 0.071 0.000 2.684 410 T HA -0.281 4.068 4.350 -0.002 0.000 0.267 410 T C 1.551 176.263 174.700 0.021 0.000 1.032 410 T CA 1.573 63.683 62.100 0.016 0.000 1.155 410 T CB -0.505 68.350 68.868 -0.020 0.000 0.857 410 T HN 0.716 nan 8.240 nan 0.000 0.457 411 W N 1.897 123.160 121.300 -0.062 0.000 2.353 411 W HA -0.094 4.565 4.660 -0.002 0.000 0.319 411 W C 1.806 178.285 176.519 -0.066 0.000 1.207 411 W CA 0.785 58.090 57.345 -0.066 0.000 1.291 411 W CB -0.711 28.699 29.460 -0.084 0.000 1.159 411 W HN 0.165 nan 8.180 nan 0.000 0.478 412 L N 1.064 122.273 121.223 -0.024 0.000 2.230 412 L HA -0.304 4.035 4.340 -0.002 0.000 0.217 412 L C 2.494 179.210 176.870 -0.257 0.000 1.090 412 L CA 1.976 56.740 54.840 -0.127 0.000 0.771 412 L CB -1.394 40.673 42.059 0.013 0.000 0.892 412 L HN 0.110 nan 8.230 nan 0.000 0.438 413 A N -0.705 121.970 122.820 -0.242 0.000 1.887 413 A HA -0.109 4.210 4.320 -0.002 0.000 0.212 413 A C 2.077 179.412 177.584 -0.414 0.000 1.198 413 A CA 0.671 52.558 52.037 -0.249 0.000 0.628 413 A CB -0.461 18.432 19.000 -0.178 0.000 0.847 413 A HN 0.280 nan 8.150 nan 0.000 0.449 414 L N 0.865 121.791 121.223 -0.495 0.000 2.046 414 L HA -0.109 4.229 4.340 -0.002 0.000 0.208 414 L C 2.628 179.027 176.870 -0.786 0.000 1.077 414 L CA 2.762 57.250 54.840 -0.586 0.000 0.747 414 L CB -1.021 40.730 42.059 -0.513 0.000 0.896 414 L HN 0.475 nan 8.230 nan 0.000 0.432 415 S N -0.304 114.696 115.700 -1.167 0.000 2.372 415 S HA -0.347 4.122 4.470 -0.002 0.000 0.227 415 S C 2.306 176.580 174.600 -0.542 0.000 1.044 415 S CA 1.769 59.371 58.200 -0.997 0.000 1.050 415 S CB -0.608 61.981 63.200 -1.019 0.000 0.901 415 S HN 0.593 nan 8.310 nan 0.000 0.447 416 R N 0.453 120.664 120.500 -0.480 0.000 2.080 416 R HA -0.022 4.317 4.340 -0.002 0.000 0.236 416 R C 2.436 178.538 176.300 -0.330 0.000 1.137 416 R CA 1.986 57.841 56.100 -0.408 0.000 0.943 416 R CB -0.536 29.531 30.300 -0.388 0.000 0.846 416 R HN 0.571 nan 8.270 nan 0.000 0.431 417 I N 0.427 120.833 120.570 -0.273 0.000 2.052 417 I HA -0.327 3.842 4.170 -0.002 0.000 0.235 417 I C 2.544 178.640 176.117 -0.035 0.000 1.046 417 I CA 1.590 62.820 61.300 -0.116 0.000 1.308 417 I CB -0.645 37.333 38.000 -0.037 0.000 1.031 417 I HN 0.356 nan 8.210 nan 0.000 0.395 418 A N 0.677 123.444 122.820 -0.089 0.000 1.986 418 A HA -0.198 4.121 4.320 -0.002 0.000 0.220 418 A C 2.324 179.897 177.584 -0.019 0.000 1.171 418 A CA 2.253 54.284 52.037 -0.010 0.000 0.640 418 A CB -1.340 17.442 19.000 -0.363 0.000 0.811 418 A HN 0.578 nan 8.150 nan 0.000 0.451 419 G N -1.364 107.366 108.800 -0.117 0.000 2.459 419 G HA2 0.116 4.075 3.960 -0.002 0.000 0.213 419 G HA3 0.116 4.075 3.960 -0.002 0.000 0.213 419 G C 1.322 176.163 174.900 -0.099 0.000 1.155 419 G CA 0.761 45.800 45.100 -0.102 0.000 0.811 419 G HN 0.344 nan 8.290 nan 0.000 0.534 420 L N 0.360 121.496 121.223 -0.146 0.000 2.179 420 L HA 0.260 4.599 4.340 -0.002 0.000 0.208 420 L C 1.316 178.191 176.870 0.008 0.000 1.096 420 L CA 0.287 55.015 54.840 -0.186 0.000 0.779 420 L CB -0.239 41.602 42.059 -0.363 0.000 0.922 420 L HN 0.243 nan 8.230 nan 0.000 0.443 421 C N 2.534 121.862 119.300 0.047 0.000 2.185 421 C HA 0.596 5.054 4.460 -0.002 0.000 0.357 421 C C -0.161 174.872 174.990 0.071 0.000 1.053 421 C CA -0.568 58.503 59.018 0.089 0.000 1.552 421 C CB -2.149 25.637 27.740 0.078 0.000 1.679 421 C HN 0.592 nan 8.230 nan 0.000 0.453 422 N N 3.114 121.848 118.700 0.056 0.000 4.091 422 N HA 0.158 4.897 4.740 -0.002 0.000 0.196 422 N C -0.375 175.144 175.510 0.016 0.000 1.048 422 N CA -0.380 52.691 53.050 0.034 0.000 1.120 422 N CB 0.884 39.382 38.487 0.018 0.000 1.637 422 N HN 0.693 nan 8.380 nan 0.000 0.727 423 R N 0.972 121.477 120.500 0.007 0.000 2.432 423 R HA 0.392 4.731 4.340 -0.002 0.000 0.260 423 R C 0.511 176.793 176.300 -0.029 0.000 0.935 423 R CA -0.319 55.781 56.100 0.000 0.000 1.080 423 R CB 0.673 30.980 30.300 0.011 0.000 1.155 423 R HN 0.447 nan 8.270 nan 0.000 0.531 424 A N 1.915 124.699 122.820 -0.059 0.000 2.409 424 A HA 0.421 4.740 4.320 -0.002 0.000 0.267 424 A C 0.639 178.122 177.584 -0.168 0.000 1.127 424 A CA -0.509 51.457 52.037 -0.118 0.000 0.795 424 A CB 0.306 19.215 19.000 -0.151 0.000 1.061 424 A HN 0.134 nan 8.150 nan 0.000 0.502 425 V N 0.372 120.190 119.914 -0.161 0.000 3.345 425 V HA 0.816 4.935 4.120 -0.002 0.000 0.308 425 V C -0.109 175.807 176.094 -0.296 0.000 1.168 425 V CA -1.088 61.116 62.300 -0.160 0.000 1.024 425 V CB 0.776 32.584 31.823 -0.025 0.000 1.211 425 V HN 0.631 nan 8.190 nan 0.000 0.461 426 F N -0.264 119.692 119.950 0.011 0.000 2.403 426 F HA 0.540 5.066 4.527 -0.002 0.000 0.326 426 F C 0.718 176.523 175.800 0.008 0.000 1.081 426 F CA -0.622 57.383 58.000 0.009 0.000 1.041 426 F CB 1.200 40.205 39.000 0.008 0.000 1.234 426 F HN 0.431 nan 8.300 nan 0.000 0.503 427 Q N 1.238 121.172 119.800 0.223 0.000 2.373 427 Q HA 0.352 4.691 4.340 -0.002 0.000 0.255 427 Q C -0.010 176.052 176.000 0.104 0.000 0.980 427 Q CA -0.395 55.480 55.803 0.121 0.000 0.882 427 Q CB 1.245 30.036 28.738 0.088 0.000 1.249 427 Q HN 0.749 nan 8.270 nan 0.000 0.438 428 A N 3.072 125.933 122.820 0.068 0.000 2.547 428 A HA -0.012 4.307 4.320 -0.002 0.000 0.233 428 A C 0.258 177.862 177.584 0.033 0.000 1.067 428 A CA -0.075 51.991 52.037 0.048 0.000 0.763 428 A CB -0.054 18.967 19.000 0.034 0.000 1.007 428 A HN 0.893 nan 8.150 nan 0.000 0.506 429 N N 0.715 119.426 118.700 0.018 0.000 2.573 429 N HA -0.134 4.605 4.740 -0.002 0.000 0.280 429 N C -0.115 175.392 175.510 -0.004 0.000 1.187 429 N CA 1.230 54.282 53.050 0.003 0.000 0.717 429 N CB -0.526 37.965 38.487 0.006 0.000 0.899 429 N HN 0.800 nan 8.380 nan 0.000 0.546 430 Q N -0.608 119.176 119.800 -0.026 0.000 1.842 430 Q HA 0.003 4.342 4.340 -0.002 0.000 0.180 430 Q C 0.348 176.286 176.000 -0.102 0.000 0.751 430 Q CA -0.091 55.682 55.803 -0.049 0.000 0.861 430 Q CB 0.315 29.035 28.738 -0.031 0.000 1.223 430 Q HN 0.334 nan 8.270 nan 0.000 0.401 431 E N 1.028 121.168 120.200 -0.099 0.000 2.331 431 E HA -0.158 4.191 4.350 -0.002 0.000 0.199 431 E C 1.114 177.660 176.600 -0.091 0.000 1.008 431 E CA 1.240 57.569 56.400 -0.119 0.000 0.843 431 E CB -0.194 29.456 29.700 -0.083 0.000 0.761 431 E HN 0.403 nan 8.360 nan 0.000 0.507 432 N N 0.576 119.237 118.700 -0.066 0.000 2.028 432 N HA -0.074 4.665 4.740 -0.002 0.000 0.194 432 N C 0.381 175.860 175.510 -0.052 0.000 1.050 432 N CA 0.614 53.635 53.050 -0.049 0.000 0.848 432 N CB -0.375 38.091 38.487 -0.034 0.000 1.038 432 N HN 0.054 nan 8.380 nan 0.000 0.423 433 L N 0.923 122.114 121.223 -0.053 0.000 2.473 433 L HA 0.223 4.562 4.340 -0.002 0.000 0.265 433 L C -2.214 174.621 176.870 -0.058 0.000 1.243 433 L CA -1.783 53.030 54.840 -0.045 0.000 0.822 433 L CB -0.734 41.305 42.059 -0.034 0.000 1.101 433 L HN -0.082 nan 8.230 nan 0.000 0.507 434 P HA 0.107 nan 4.420 nan 0.000 0.271 434 P C 1.002 178.272 177.300 -0.050 0.000 1.216 434 P CA -0.434 62.642 63.100 -0.041 0.000 0.776 434 P CB 0.537 32.224 31.700 -0.021 0.000 0.881 435 I N 1.784 122.315 120.570 -0.064 0.000 2.130 435 I HA -0.320 3.849 4.170 -0.002 0.000 0.241 435 I C 2.157 178.283 176.117 0.014 0.000 1.023 435 I CA 2.027 63.285 61.300 -0.071 0.000 1.293 435 I CB -1.276 36.710 38.000 -0.022 0.000 1.001 435 I HN 0.459 nan 8.210 nan 0.000 0.407 436 L N 0.173 121.415 121.223 0.032 0.000 2.012 436 L HA -0.206 4.133 4.340 -0.002 0.000 0.210 436 L C 2.186 179.089 176.870 0.055 0.000 1.073 436 L CA 1.617 56.489 54.840 0.055 0.000 0.748 436 L CB -0.377 41.700 42.059 0.031 0.000 0.891 436 L HN 0.180 nan 8.230 nan 0.000 0.431 437 K N -0.076 120.341 120.400 0.028 0.000 2.591 437 K HA 0.026 4.345 4.320 -0.002 0.000 0.197 437 K C -0.016 176.605 176.600 0.035 0.000 1.026 437 K CA 0.014 56.316 56.287 0.025 0.000 1.127 437 K CB -0.026 32.479 32.500 0.009 0.000 0.871 437 K HN 0.234 nan 8.250 nan 0.000 0.507 438 R N 0.465 121.002 120.500 0.062 0.000 2.410 438 R HA 0.280 4.619 4.340 -0.002 0.000 0.288 438 R C -0.310 176.087 176.300 0.161 0.000 1.051 438 R CA -0.429 55.721 56.100 0.083 0.000 1.021 438 R CB 1.219 31.529 30.300 0.017 0.000 1.032 438 R HN 0.028 nan 8.270 nan 0.000 0.481 439 A N 3.325 126.229 122.820 0.138 0.000 2.396 439 A HA 0.263 4.582 4.320 -0.002 0.000 0.279 439 A C 0.674 178.354 177.584 0.160 0.000 1.165 439 A CA -0.603 51.505 52.037 0.118 0.000 0.824 439 A CB -0.102 18.945 19.000 0.078 0.000 1.100 439 A HN 0.574 nan 8.150 nan 0.000 0.516 440 V N 0.093 120.063 119.914 0.095 0.000 3.336 440 V HA 0.737 4.856 4.120 -0.002 0.000 0.304 440 V C 0.776 176.866 176.094 -0.006 0.000 1.073 440 V CA -0.058 62.246 62.300 0.007 0.000 1.074 440 V CB 1.283 33.073 31.823 -0.054 0.000 1.161 440 V HN 1.347 nan 8.190 nan 0.000 0.460 441 A N -0.060 122.731 122.820 -0.049 0.000 2.795 441 A HA 0.811 5.130 4.320 -0.002 0.000 0.282 441 A C 0.530 178.089 177.584 -0.042 0.000 0.964 441 A CA 0.333 52.353 52.037 -0.029 0.000 1.045 441 A CB -0.253 18.737 19.000 -0.016 0.000 1.174 441 A HN 1.439 nan 8.150 nan 0.000 0.493 442 G N 0.011 108.781 108.800 -0.050 0.000 2.890 442 G HA2 0.596 4.555 3.960 -0.002 0.000 0.199 442 G HA3 0.596 4.555 3.960 -0.002 0.000 0.199 442 G C -0.644 174.234 174.900 -0.036 0.000 1.729 442 G CA 0.541 45.612 45.100 -0.049 0.000 0.767 442 G HN 0.632 nan 8.290 nan 0.000 0.804 443 D N -2.001 118.377 120.400 -0.036 0.000 2.926 443 D HA 0.365 5.004 4.640 -0.002 0.000 0.272 443 D C 0.947 177.233 176.300 -0.024 0.000 1.172 443 D CA 0.133 54.115 54.000 -0.030 0.000 0.731 443 D CB 1.087 41.865 40.800 -0.036 0.000 1.282 443 D HN 1.086 nan 8.370 nan 0.000 0.430 444 A N 1.547 124.355 122.820 -0.021 0.000 2.557 444 A HA -0.386 3.933 4.320 -0.002 0.000 0.260 444 A C 2.071 179.652 177.584 -0.004 0.000 2.292 444 A CA 3.874 55.903 52.037 -0.013 0.000 1.035 444 A CB -1.884 17.105 19.000 -0.018 0.000 0.477 444 A HN 0.718 nan 8.150 nan 0.000 0.426 445 S N -0.738 114.964 115.700 0.003 0.000 2.338 445 S HA -0.109 4.359 4.470 -0.002 0.000 0.218 445 S C 1.846 176.464 174.600 0.030 0.000 1.032 445 S CA 1.239 59.456 58.200 0.029 0.000 0.999 445 S CB -0.522 62.705 63.200 0.046 0.000 0.905 445 S HN 0.601 nan 8.310 nan 0.000 0.439 446 E N 1.536 121.745 120.200 0.016 0.000 2.086 446 E HA -0.194 4.155 4.350 -0.002 0.000 0.200 446 E C 2.511 179.100 176.600 -0.018 0.000 1.012 446 E CA 1.818 58.225 56.400 0.012 0.000 0.812 446 E CB -0.448 29.249 29.700 -0.005 0.000 0.743 446 E HN 0.658 nan 8.360 nan 0.000 0.453 447 S N 0.568 116.243 115.700 -0.041 0.000 2.414 447 S HA 0.091 4.560 4.470 -0.002 0.000 0.227 447 S C 2.266 176.843 174.600 -0.038 0.000 1.022 447 S CA 0.765 58.918 58.200 -0.080 0.000 0.958 447 S CB -0.010 63.140 63.200 -0.083 0.000 0.797 447 S HN 0.271 nan 8.310 nan 0.000 0.493 448 A N 1.617 124.432 122.820 -0.008 0.000 2.024 448 A HA 0.103 4.422 4.320 -0.002 0.000 0.220 448 A C 2.215 179.810 177.584 0.019 0.000 1.164 448 A CA 1.375 53.418 52.037 0.010 0.000 0.643 448 A CB -0.712 18.296 19.000 0.014 0.000 0.806 448 A HN 0.566 nan 8.150 nan 0.000 0.451 449 L N -1.270 119.966 121.223 0.022 0.000 2.168 449 L HA 0.035 4.374 4.340 -0.002 0.000 0.203 449 L C 2.463 179.341 176.870 0.014 0.000 1.078 449 L CA 0.555 55.413 54.840 0.031 0.000 0.780 449 L CB -0.323 41.777 42.059 0.070 0.000 0.939 449 L HN 0.460 nan 8.230 nan 0.000 0.451 450 L N 0.277 121.486 121.223 -0.024 0.000 1.990 450 L HA -0.326 4.013 4.340 -0.002 0.000 0.213 450 L C 2.583 179.463 176.870 0.017 0.000 1.072 450 L CA 1.931 56.730 54.840 -0.068 0.000 0.755 450 L CB -0.199 41.723 42.059 -0.228 0.000 0.889 450 L HN 0.291 nan 8.230 nan 0.000 0.432 451 K N -0.889 119.540 120.400 0.048 0.000 2.026 451 K HA -0.233 4.086 4.320 -0.002 0.000 0.208 451 K C 2.201 178.880 176.600 0.131 0.000 1.048 451 K CA 1.563 57.948 56.287 0.164 0.000 0.929 451 K CB -0.588 32.003 32.500 0.152 0.000 0.713 451 K HN 0.528 nan 8.250 nan 0.000 0.439 452 C N 1.293 120.647 119.300 0.089 0.000 2.363 452 C HA -0.201 4.258 4.460 -0.002 0.000 0.274 452 C C 2.365 177.452 174.990 0.161 0.000 1.183 452 C CA 0.738 59.817 59.018 0.101 0.000 1.771 452 C CB -0.826 26.963 27.740 0.081 0.000 2.059 452 C HN 0.301 nan 8.230 nan 0.000 0.455 453 I N 0.737 121.396 120.570 0.147 0.000 2.102 453 I HA -0.084 4.084 4.170 -0.002 0.000 0.228 453 I C 2.395 178.607 176.117 0.157 0.000 1.057 453 I CA 1.929 63.327 61.300 0.164 0.000 1.334 453 I CB -2.062 35.980 38.000 0.069 0.000 1.096 453 I HN 0.393 nan 8.210 nan 0.000 0.396 454 E N 1.159 121.449 120.200 0.151 0.000 2.330 454 E HA -0.319 4.030 4.350 -0.002 0.000 0.239 454 E C 2.214 178.888 176.600 0.123 0.000 1.097 454 E CA 2.627 59.128 56.400 0.168 0.000 1.031 454 E CB -0.929 28.956 29.700 0.309 0.000 0.885 454 E HN 0.422 nan 8.360 nan 0.000 0.479 455 L N -0.238 121.061 121.223 0.128 0.000 1.963 455 L HA -0.263 4.076 4.340 -0.002 0.000 0.220 455 L C 2.250 179.171 176.870 0.084 0.000 1.076 455 L CA 2.485 57.378 54.840 0.088 0.000 0.772 455 L CB -0.298 41.815 42.059 0.090 0.000 0.892 455 L HN 0.681 nan 8.230 nan 0.000 0.435 456 C N -3.099 116.274 119.300 0.123 0.000 2.760 456 C HA 0.468 4.927 4.460 -0.002 0.000 0.293 456 C C 0.726 175.807 174.990 0.152 0.000 1.383 456 C CA -0.990 58.094 59.018 0.110 0.000 1.771 456 C CB -1.707 26.102 27.740 0.115 0.000 2.353 456 C HN 0.580 nan 8.230 nan 0.000 0.578 457 C N 2.052 121.448 119.300 0.161 0.000 3.208 457 C HA 0.649 5.108 4.460 -0.002 0.000 0.250 457 C C 1.331 176.380 174.990 0.098 0.000 2.195 457 C CA 0.555 59.675 59.018 0.170 0.000 1.303 457 C CB -1.186 26.704 27.740 0.250 0.000 2.376 457 C HN 1.286 nan 8.230 nan 0.000 0.545 458 G N 1.776 110.620 108.800 0.073 0.000 2.749 458 G HA2 -0.110 3.849 3.960 -0.002 0.000 0.242 458 G HA3 -0.110 3.849 3.960 -0.002 0.000 0.242 458 G C 0.157 175.093 174.900 0.059 0.000 1.364 458 G CA 0.146 45.278 45.100 0.052 0.000 0.888 458 G HN 0.817 nan 8.290 nan 0.000 0.566 459 S N -2.194 113.536 115.700 0.050 0.000 2.596 459 S HA 0.414 4.883 4.470 -0.002 0.000 0.260 459 S C 1.418 176.059 174.600 0.068 0.000 1.336 459 S CA 0.365 58.604 58.200 0.065 0.000 0.993 459 S CB 1.203 64.434 63.200 0.051 0.000 0.923 459 S HN 1.425 nan 8.310 nan 0.000 0.567 460 V N 2.570 122.541 119.914 0.095 0.000 3.473 460 V HA 0.157 4.276 4.120 -0.002 0.000 0.253 460 V C 2.055 178.186 176.094 0.060 0.000 1.340 460 V CA -0.049 62.287 62.300 0.061 0.000 1.103 460 V CB -0.134 31.721 31.823 0.053 0.000 0.881 460 V HN 0.687 nan 8.190 nan 0.000 0.451 461 K N 0.961 121.419 120.400 0.096 0.000 2.218 461 K HA -0.203 4.115 4.320 -0.002 0.000 0.205 461 K C 1.800 178.432 176.600 0.053 0.000 1.046 461 K CA 1.588 57.922 56.287 0.078 0.000 0.933 461 K CB 0.020 32.574 32.500 0.090 0.000 0.728 461 K HN 0.616 nan 8.250 nan 0.000 0.454 462 E N 0.229 120.458 120.200 0.049 0.000 2.024 462 E HA 0.017 4.366 4.350 -0.002 0.000 0.190 462 E C 1.728 178.351 176.600 0.038 0.000 0.974 462 E CA 0.095 56.520 56.400 0.041 0.000 0.810 462 E CB -0.108 29.616 29.700 0.039 0.000 0.775 462 E HN 0.097 nan 8.360 nan 0.000 0.453 463 M N 1.140 120.754 119.600 0.023 0.000 2.822 463 M HA -0.110 4.369 4.480 -0.002 0.000 0.238 463 M C 0.067 176.350 176.300 -0.028 0.000 1.026 463 M CA 1.060 56.358 55.300 -0.003 0.000 1.074 463 M CB -0.131 32.434 32.600 -0.059 0.000 1.445 463 M HN -0.136 nan 8.290 nan 0.000 0.561 464 R N -0.323 120.179 120.500 0.004 0.000 2.734 464 R HA 0.216 4.555 4.340 -0.002 0.000 0.395 464 R C -0.044 176.282 176.300 0.043 0.000 1.096 464 R CA -0.006 56.092 56.100 -0.003 0.000 1.071 464 R CB 0.574 30.866 30.300 -0.014 0.000 1.348 464 R HN 0.392 nan 8.270 nan 0.000 0.600 465 E N -1.329 118.910 120.200 0.065 0.000 2.626 465 E HA 0.098 4.447 4.350 -0.002 0.000 0.194 465 E C 1.079 177.721 176.600 0.070 0.000 0.950 465 E CA -0.216 56.222 56.400 0.064 0.000 1.583 465 E CB 0.558 30.288 29.700 0.049 0.000 1.881 465 E HN 0.076 nan 8.360 nan 0.000 0.979 466 R N 0.723 121.284 120.500 0.101 0.000 2.109 466 R HA -0.048 4.291 4.340 -0.002 0.000 0.227 466 R C 0.379 176.726 176.300 0.079 0.000 1.132 466 R CA 1.398 57.561 56.100 0.105 0.000 0.907 466 R CB -0.119 30.320 30.300 0.232 0.000 0.825 466 R HN 0.079 nan 8.270 nan 0.000 0.432 467 Y N 1.298 121.562 120.300 -0.061 0.000 2.636 467 Y HA 0.059 4.608 4.550 -0.002 0.000 0.341 467 Y C 0.331 176.214 175.900 -0.029 0.000 1.169 467 Y CA -0.717 57.338 58.100 -0.074 0.000 1.498 467 Y CB 0.664 39.001 38.460 -0.205 0.000 1.362 467 Y HN 0.101 nan 8.280 nan 0.000 0.494 468 T N 2.506 117.158 114.554 0.163 0.000 2.901 468 T HA 0.099 4.448 4.350 -0.002 0.000 0.301 468 T C -0.096 174.796 174.700 0.320 0.000 1.012 468 T CA -0.979 61.233 62.100 0.186 0.000 1.135 468 T CB 0.523 69.456 68.868 0.108 0.000 0.936 468 T HN 0.643 nan 8.240 nan 0.000 0.539 469 K N 5.428 126.032 120.400 0.341 0.000 2.276 469 K HA 0.276 4.595 4.320 -0.002 0.000 0.283 469 K C 1.073 177.685 176.600 0.020 0.000 1.044 469 K CA -0.705 55.665 56.287 0.139 0.000 0.944 469 K CB 0.674 33.199 32.500 0.042 0.000 1.012 469 K HN 0.773 nan 8.250 nan 0.000 0.472 470 I N 0.502 121.035 120.570 -0.061 0.000 3.039 470 I HA 0.142 4.311 4.170 -0.002 0.000 0.270 470 I C 0.399 176.507 176.117 -0.014 0.000 1.150 470 I CA -0.293 61.014 61.300 0.012 0.000 1.448 470 I CB 0.341 38.395 38.000 0.090 0.000 1.197 470 I HN 0.363 nan 8.210 nan 0.000 0.450 471 V N 1.170 121.002 119.914 -0.136 0.000 3.188 471 V HA 0.518 4.637 4.120 -0.002 0.000 0.305 471 V C -1.730 174.261 176.094 -0.173 0.000 1.232 471 V CA -0.350 61.892 62.300 -0.097 0.000 1.043 471 V CB 2.809 34.630 31.823 -0.004 0.000 1.068 471 V HN 0.659 nan 8.190 nan 0.000 0.439 472 E N 2.991 123.146 120.200 -0.075 0.000 2.430 472 E HA 0.605 4.954 4.350 -0.002 0.000 0.279 472 E C -1.887 174.722 176.600 0.015 0.000 1.003 472 E CA -0.882 55.477 56.400 -0.070 0.000 0.801 472 E CB 2.525 32.185 29.700 -0.066 0.000 1.313 472 E HN 0.505 nan 8.360 nan 0.000 0.459 473 I N 2.038 122.631 120.570 0.037 0.000 2.493 473 I HA 0.326 4.495 4.170 -0.002 0.000 0.279 473 I C -2.483 173.683 176.117 0.082 0.000 1.045 473 I CA -2.223 59.130 61.300 0.088 0.000 1.106 473 I CB 1.987 40.087 38.000 0.167 0.000 1.216 473 I HN 0.389 nan 8.210 nan 0.000 0.459 474 P HA 0.091 nan 4.420 nan 0.000 0.274 474 P C -0.475 176.900 177.300 0.125 0.000 1.246 474 P CA -0.304 62.854 63.100 0.096 0.000 0.795 474 P CB 0.524 32.273 31.700 0.081 0.000 1.006 475 F N 2.129 122.079 119.950 0.001 0.000 2.571 475 F HA 0.012 4.538 4.527 -0.002 0.000 0.390 475 F C 0.221 175.988 175.800 -0.056 0.000 1.043 475 F CA 0.231 58.217 58.000 -0.024 0.000 1.164 475 F CB -0.059 38.929 39.000 -0.019 0.000 1.049 475 F HN 0.200 nan 8.300 nan 0.000 0.552 476 N N 3.854 122.618 118.700 0.107 0.000 2.372 476 N HA 0.140 4.879 4.740 -0.002 0.000 0.291 476 N C 0.496 176.087 175.510 0.135 0.000 1.024 476 N CA -0.399 52.720 53.050 0.114 0.000 0.873 476 N CB 1.963 40.405 38.487 -0.075 0.000 1.206 476 N HN 0.555 nan 8.380 nan 0.000 0.486 477 S N 0.379 116.217 115.700 0.229 0.000 2.400 477 S HA -0.193 4.276 4.470 -0.002 0.000 0.232 477 S C 2.001 176.644 174.600 0.071 0.000 1.025 477 S CA 2.126 60.463 58.200 0.227 0.000 0.993 477 S CB -0.182 63.083 63.200 0.107 0.000 0.808 477 S HN 0.818 nan 8.310 nan 0.000 0.478 478 T N 1.774 116.315 114.554 -0.021 0.000 2.643 478 T HA -0.162 4.187 4.350 -0.002 0.000 0.264 478 T C 1.344 175.960 174.700 -0.141 0.000 1.045 478 T CA 1.929 63.987 62.100 -0.071 0.000 1.155 478 T CB -0.818 68.001 68.868 -0.082 0.000 0.863 478 T HN 0.618 nan 8.240 nan 0.000 0.420 479 N N 0.306 118.826 118.700 -0.300 0.000 2.412 479 N HA 0.170 4.909 4.740 -0.002 0.000 0.184 479 N C 0.854 176.050 175.510 -0.523 0.000 1.101 479 N CA 0.310 53.072 53.050 -0.480 0.000 0.881 479 N CB -0.306 37.642 38.487 -0.898 0.000 0.969 479 N HN 0.443 nan 8.380 nan 0.000 0.459 480 K N -1.314 118.777 120.400 -0.515 0.000 3.104 480 K HA -0.230 4.089 4.320 -0.002 0.000 0.285 480 K C -1.065 175.125 176.600 -0.683 0.000 1.136 480 K CA 1.292 57.274 56.287 -0.508 0.000 0.842 480 K CB -1.855 30.594 32.500 -0.085 0.000 1.217 480 K HN 0.719 nan 8.250 nan 0.000 0.467 481 Y N -1.695 118.168 120.300 -0.728 0.000 2.630 481 Y HA 0.768 5.317 4.550 -0.002 0.000 0.337 481 Y C -0.444 175.151 175.900 -0.508 0.000 1.051 481 Y CA -1.546 56.248 58.100 -0.511 0.000 1.121 481 Y CB 1.339 39.647 38.460 -0.254 0.000 1.299 481 Y HN 0.044 nan 8.280 nan 0.000 0.498 482 Q N 2.024 121.885 119.800 0.102 0.000 2.345 482 Q HA 0.722 5.061 4.340 -0.002 0.000 0.275 482 Q C -2.309 173.725 176.000 0.056 0.000 1.063 482 Q CA -1.084 54.777 55.803 0.097 0.000 0.819 482 Q CB 2.676 31.463 28.738 0.082 0.000 1.356 482 Q HN 0.924 nan 8.270 nan 0.000 0.418 483 L N -0.335 120.911 121.223 0.039 0.000 2.506 483 L HA 0.834 5.173 4.340 -0.002 0.000 0.257 483 L C -1.549 175.250 176.870 -0.118 0.000 0.964 483 L CA -0.364 54.437 54.840 -0.066 0.000 0.836 483 L CB 2.216 44.186 42.059 -0.148 0.000 1.384 483 L HN 0.460 nan 8.230 nan 0.000 0.410 484 S N 2.339 117.915 115.700 -0.207 0.000 2.541 484 S HA 0.850 5.319 4.470 -0.002 0.000 0.280 484 S C -0.555 173.712 174.600 -0.556 0.000 1.112 484 S CA -0.584 57.387 58.200 -0.381 0.000 0.925 484 S CB 1.550 64.517 63.200 -0.389 0.000 1.067 484 S HN 0.707 nan 8.310 nan 0.000 0.479 485 I N 2.067 122.214 120.570 -0.705 0.000 2.377 485 I HA 0.559 4.727 4.170 -0.002 0.000 0.293 485 I C -0.475 175.279 176.117 -0.605 0.000 0.987 485 I CA -0.638 60.228 61.300 -0.723 0.000 1.185 485 I CB 0.906 38.229 38.000 -1.129 0.000 1.341 485 I HN 0.486 nan 8.210 nan 0.000 0.455 486 H N 4.272 123.250 119.070 -0.153 0.000 2.690 486 H HA 0.378 4.933 4.556 -0.002 0.000 0.368 486 H C -0.810 174.522 175.328 0.006 0.000 1.150 486 H CA -0.954 55.083 56.048 -0.018 0.000 1.174 486 H CB 2.599 32.407 29.762 0.078 0.000 1.684 486 H HN 0.454 nan 8.280 nan 0.000 0.538 487 K N 2.568 123.045 120.400 0.128 0.000 2.171 487 K HA 0.017 4.336 4.320 -0.002 0.000 0.274 487 K C 0.465 177.001 176.600 -0.106 0.000 1.110 487 K CA -0.332 55.942 56.287 -0.022 0.000 0.952 487 K CB 0.163 32.642 32.500 -0.036 0.000 1.309 487 K HN 0.359 nan 8.250 nan 0.000 0.414 488 N N 3.688 122.316 118.700 -0.119 0.000 2.353 488 N HA -0.047 4.692 4.740 -0.002 0.000 0.248 488 N C -2.004 173.319 175.510 -0.311 0.000 1.240 488 N CA -1.017 51.841 53.050 -0.320 0.000 0.862 488 N CB 0.784 39.246 38.487 -0.041 0.000 1.086 488 N HN 0.270 nan 8.380 nan 0.000 0.453 489 P HA 0.191 nan 4.420 nan 0.000 0.300 489 P C -0.460 176.734 177.300 -0.177 0.000 1.397 489 P CA -0.341 62.613 63.100 -0.242 0.000 1.127 489 P CB 0.125 31.678 31.700 -0.244 0.000 1.572 490 N N 0.192 118.783 118.700 -0.181 0.000 2.226 490 N HA -0.071 4.668 4.740 -0.002 0.000 0.232 490 N C 1.505 176.959 175.510 -0.092 0.000 1.255 490 N CA 1.241 54.219 53.050 -0.120 0.000 0.855 490 N CB 0.367 38.785 38.487 -0.115 0.000 1.095 490 N HN -0.106 nan 8.380 nan 0.000 0.444 491 T N 0.062 114.574 114.554 -0.069 0.000 3.163 491 T HA 0.203 4.552 4.350 -0.002 0.000 0.260 491 T C 0.003 174.669 174.700 -0.055 0.000 1.156 491 T CA 0.692 62.760 62.100 -0.054 0.000 1.072 491 T CB -0.403 68.441 68.868 -0.040 0.000 0.937 491 T HN 0.562 nan 8.240 nan 0.000 0.528 492 A N 0.781 123.558 122.820 -0.072 0.000 2.100 492 A HA 0.505 4.824 4.320 -0.002 0.000 0.249 492 A C 0.180 177.696 177.584 -0.114 0.000 1.447 492 A CA 0.220 52.211 52.037 -0.076 0.000 1.397 492 A CB -0.595 18.368 19.000 -0.061 0.000 1.118 492 A HN 0.402 nan 8.150 nan 0.000 0.764 493 E N -0.302 119.817 120.200 -0.134 0.000 3.747 493 E HA -0.093 4.256 4.350 -0.002 0.000 0.375 493 E C -2.109 174.440 176.600 -0.085 0.000 0.759 493 E CA 0.600 56.937 56.400 -0.105 0.000 1.375 493 E CB -1.247 28.405 29.700 -0.080 0.000 1.644 493 E HN 0.366 nan 8.360 nan 0.000 0.365 494 P HA -0.107 nan 4.420 nan 0.000 0.229 494 P C -0.716 176.587 177.300 0.005 0.000 1.150 494 P CA 1.063 64.154 63.100 -0.016 0.000 0.765 494 P CB -0.163 31.538 31.700 0.002 0.000 0.783 495 R N -0.165 120.288 120.500 -0.078 0.000 1.532 495 R HA -0.191 4.148 4.340 -0.002 0.000 0.381 495 R C -0.719 175.401 176.300 -0.301 0.000 1.305 495 R CA 0.470 56.416 56.100 -0.255 0.000 1.279 495 R CB -2.109 27.984 30.300 -0.345 0.000 3.596 495 R HN 0.476 nan 8.270 nan 0.000 0.477 496 H N -1.520 117.578 119.070 0.046 0.000 3.883 496 H HA -0.079 4.476 4.556 -0.002 0.000 0.412 496 H C -1.208 174.090 175.328 -0.049 0.000 1.280 496 H CA 0.123 56.151 56.048 -0.034 0.000 1.491 496 H CB -0.861 28.882 29.762 -0.031 0.000 1.472 496 H HN 0.392 nan 8.280 nan 0.000 0.456 497 L N 3.432 124.685 121.223 0.051 0.000 2.287 497 L HA 0.539 4.878 4.340 -0.002 0.000 0.287 497 L C -0.496 176.270 176.870 -0.173 0.000 1.022 497 L CA -0.618 54.197 54.840 -0.041 0.000 0.814 497 L CB 1.219 43.352 42.059 0.123 0.000 1.217 497 L HN 0.488 nan 8.230 nan 0.000 0.420 498 L N 6.916 127.950 121.223 -0.315 0.000 2.272 498 L HA 0.726 5.065 4.340 -0.002 0.000 0.289 498 L C -0.858 175.876 176.870 -0.226 0.000 1.032 498 L CA -0.435 54.189 54.840 -0.361 0.000 0.810 498 L CB 1.445 43.225 42.059 -0.464 0.000 1.205 498 L HN 0.542 nan 8.230 nan 0.000 0.422 499 V N 3.528 123.355 119.914 -0.145 0.000 2.540 499 V HA 0.770 4.889 4.120 -0.002 0.000 0.302 499 V C -0.398 175.650 176.094 -0.077 0.000 1.035 499 V CA -0.683 61.587 62.300 -0.049 0.000 0.873 499 V CB 1.491 33.329 31.823 0.026 0.000 0.992 499 V HN 0.931 nan 8.190 nan 0.000 0.428 500 M N 3.431 122.993 119.600 -0.064 0.000 2.484 500 M HA 0.849 5.328 4.480 -0.002 0.000 0.289 500 M C -1.031 175.217 176.300 -0.087 0.000 1.206 500 M CA -0.689 54.556 55.300 -0.091 0.000 0.892 500 M CB 2.605 35.098 32.600 -0.178 0.000 1.712 500 M HN 0.794 nan 8.290 nan 0.000 0.462 501 K N 1.059 121.375 120.400 -0.140 0.000 2.346 501 K HA 1.078 5.397 4.320 -0.002 0.000 0.238 501 K C -0.395 176.095 176.600 -0.183 0.000 1.039 501 K CA -0.760 55.335 56.287 -0.319 0.000 0.861 501 K CB 2.208 34.310 32.500 -0.663 0.000 1.278 501 K HN 1.108 nan 8.250 nan 0.000 0.460 502 G N -0.831 107.852 108.800 -0.195 0.000 2.317 502 G HA2 0.412 4.371 3.960 -0.002 0.000 0.293 502 G HA3 0.412 4.371 3.960 -0.002 0.000 0.293 502 G C -1.385 173.524 174.900 0.016 0.000 1.287 502 G CA -0.678 44.391 45.100 -0.052 0.000 0.850 502 G HN 0.778 nan 8.290 nan 0.000 0.515 503 A N 0.275 123.143 122.820 0.081 0.000 2.613 503 A HA 0.492 4.811 4.320 -0.002 0.000 0.230 503 A C -1.012 176.645 177.584 0.122 0.000 1.051 503 A CA 1.095 53.204 52.037 0.119 0.000 0.754 503 A CB -0.009 19.055 19.000 0.107 0.000 0.979 503 A HN 0.405 nan 8.150 nan 0.000 0.510 504 P HA -0.057 nan 4.420 nan 0.000 0.212 504 P C 1.494 178.881 177.300 0.145 0.000 1.171 504 P CA 0.909 64.161 63.100 0.254 0.000 0.892 504 P CB -0.116 31.811 31.700 0.378 0.000 0.769 505 E N 0.960 121.134 120.200 -0.043 0.000 2.233 505 E HA -0.253 4.096 4.350 -0.002 0.000 0.199 505 E C 1.338 177.885 176.600 -0.089 0.000 1.004 505 E CA 1.382 57.702 56.400 -0.133 0.000 0.819 505 E CB -0.474 29.052 29.700 -0.290 0.000 0.738 505 E HN 0.117 nan 8.360 nan 0.000 0.478 506 R N 0.110 120.589 120.500 -0.034 0.000 2.586 506 R HA 0.303 4.642 4.340 -0.002 0.000 0.306 506 R C 0.918 177.212 176.300 -0.010 0.000 1.079 506 R CA -0.091 55.992 56.100 -0.028 0.000 1.083 506 R CB 0.106 30.403 30.300 -0.005 0.000 1.306 506 R HN 0.249 nan 8.270 nan 0.000 0.567 507 I N 0.385 120.943 120.570 -0.020 0.000 4.102 507 I HA 0.070 4.239 4.170 -0.002 0.000 0.325 507 I C 0.881 176.930 176.117 -0.112 0.000 1.471 507 I CA 0.102 61.395 61.300 -0.012 0.000 1.133 507 I CB 0.661 38.706 38.000 0.075 0.000 1.184 507 I HN 0.163 nan 8.210 nan 0.000 0.451 508 L N -0.463 120.618 121.223 -0.238 0.000 2.316 508 L HA 0.078 4.417 4.340 -0.002 0.000 0.207 508 L C 1.361 178.104 176.870 -0.213 0.000 1.070 508 L CA 0.559 55.184 54.840 -0.359 0.000 0.820 508 L CB -0.250 41.452 42.059 -0.595 0.000 0.992 508 L HN 0.172 nan 8.230 nan 0.000 0.466 509 D N 1.341 121.647 120.400 -0.156 0.000 2.411 509 D HA -0.123 4.516 4.640 -0.002 0.000 0.226 509 D C 1.014 177.271 176.300 -0.071 0.000 0.988 509 D CA 0.795 54.735 54.000 -0.100 0.000 0.938 509 D CB 0.226 40.983 40.800 -0.072 0.000 0.883 509 D HN 0.435 nan 8.370 nan 0.000 0.525 510 R N -1.049 119.403 120.500 -0.079 0.000 2.590 510 R HA 0.245 4.584 4.340 -0.002 0.000 0.410 510 R C -0.246 176.024 176.300 -0.050 0.000 1.010 510 R CA -0.254 55.810 56.100 -0.059 0.000 1.155 510 R CB 0.630 30.890 30.300 -0.066 0.000 1.455 510 R HN -0.053 nan 8.270 nan 0.000 0.567 511 C N 0.228 119.487 119.300 -0.070 0.000 2.712 511 C HA 0.451 4.910 4.460 -0.002 0.000 0.308 511 C C 1.133 176.094 174.990 -0.048 0.000 1.201 511 C CA -0.433 58.562 59.018 -0.038 0.000 1.554 511 C CB 2.151 29.863 27.740 -0.047 0.000 2.117 511 C HN 0.536 nan 8.230 nan 0.000 0.480 512 S N -0.323 115.376 115.700 -0.002 0.000 2.817 512 S HA 0.282 4.751 4.470 -0.002 0.000 0.262 512 S C -0.043 174.574 174.600 0.028 0.000 1.051 512 S CA 0.098 58.296 58.200 -0.003 0.000 1.185 512 S CB -0.032 63.171 63.200 0.005 0.000 1.152 512 S HN 1.082 nan 8.310 nan 0.000 0.653 513 S N 0.728 116.469 115.700 0.068 0.000 2.579 513 S HA 0.792 5.261 4.470 -0.002 0.000 0.272 513 S C -1.217 173.487 174.600 0.173 0.000 1.141 513 S CA -0.919 57.342 58.200 0.101 0.000 0.843 513 S CB 1.203 64.463 63.200 0.100 0.000 1.122 513 S HN 0.303 nan 8.310 nan 0.000 0.468 514 I N 2.147 122.817 120.570 0.166 0.000 2.521 514 I HA 0.271 4.440 4.170 -0.002 0.000 0.277 514 I C -0.310 175.871 176.117 0.107 0.000 1.054 514 I CA -0.625 60.805 61.300 0.215 0.000 1.117 514 I CB 1.450 39.600 38.000 0.251 0.000 1.217 514 I HN 0.628 nan 8.210 nan 0.000 0.469 515 L N 6.465 127.736 121.223 0.080 0.000 2.653 515 L HA 0.078 4.417 4.340 -0.002 0.000 0.288 515 L C -0.679 176.165 176.870 -0.043 0.000 1.243 515 L CA 1.179 56.040 54.840 0.034 0.000 0.906 515 L CB 0.354 42.419 42.059 0.011 0.000 1.154 515 L HN 0.558 nan 8.230 nan 0.000 0.498 516 I N 4.914 125.462 120.570 -0.037 0.000 2.531 516 I HA 0.238 4.407 4.170 -0.002 0.000 0.283 516 I C 0.215 176.293 176.117 -0.065 0.000 1.083 516 I CA -0.454 60.759 61.300 -0.144 0.000 1.071 516 I CB 1.048 38.977 38.000 -0.119 0.000 1.210 516 I HN 0.694 nan 8.210 nan 0.000 0.450 517 H N 3.953 123.029 119.070 0.011 0.000 4.492 517 H HA -0.227 4.328 4.556 -0.002 0.000 0.142 517 H C 1.308 176.652 175.328 0.027 0.000 0.772 517 H CA 1.624 57.683 56.048 0.018 0.000 1.239 517 H CB -1.012 28.757 29.762 0.013 0.000 0.868 517 H HN 0.960 nan 8.280 nan 0.000 0.450 518 G N -0.881 107.991 108.800 0.121 0.000 3.859 518 G HA2 -0.051 3.908 3.960 -0.002 0.000 0.220 518 G HA3 -0.051 3.908 3.960 -0.002 0.000 0.220 518 G C -0.215 174.742 174.900 0.094 0.000 0.892 518 G CA -0.012 45.147 45.100 0.099 0.000 0.858 518 G HN 0.174 nan 8.290 nan 0.000 0.625 519 K N 1.886 122.340 120.400 0.090 0.000 2.394 519 K HA 0.399 4.718 4.320 -0.002 0.000 0.260 519 K C -0.169 176.480 176.600 0.081 0.000 0.967 519 K CA -0.587 55.750 56.287 0.083 0.000 0.855 519 K CB 2.229 34.774 32.500 0.075 0.000 1.101 519 K HN 0.350 nan 8.250 nan 0.000 0.433 520 E N 2.207 122.465 120.200 0.096 0.000 2.458 520 E HA -0.064 4.285 4.350 -0.002 0.000 0.264 520 E C -0.089 176.557 176.600 0.078 0.000 1.097 520 E CA 0.752 57.212 56.400 0.100 0.000 0.973 520 E CB 0.586 30.356 29.700 0.116 0.000 0.963 520 E HN 0.405 nan 8.360 nan 0.000 0.451 521 Q N 0.079 119.926 119.800 0.078 0.000 2.737 521 Q HA 0.343 4.682 4.340 -0.002 0.000 0.307 521 Q C -2.613 173.425 176.000 0.064 0.000 0.905 521 Q CA -1.718 54.124 55.803 0.065 0.000 0.753 521 Q CB 2.059 30.833 28.738 0.059 0.000 1.463 521 Q HN 0.382 nan 8.270 nan 0.000 0.455 522 P HA 0.119 nan 4.420 nan 0.000 0.279 522 P C -0.627 176.700 177.300 0.044 0.000 1.239 522 P CA -0.121 63.005 63.100 0.043 0.000 0.789 522 P CB 0.727 32.447 31.700 0.034 0.000 0.933 523 L N 3.562 124.803 121.223 0.029 0.000 2.437 523 L HA 0.047 4.386 4.340 -0.002 0.000 0.243 523 L C 0.978 177.845 176.870 -0.004 0.000 1.346 523 L CA -0.361 54.486 54.840 0.011 0.000 1.233 523 L CB -0.806 41.233 42.059 -0.033 0.000 1.436 523 L HN 0.445 nan 8.230 nan 0.000 0.416 524 D N 0.444 120.855 120.400 0.018 0.000 2.113 524 D HA -0.142 4.497 4.640 -0.002 0.000 0.255 524 D C 0.621 176.926 176.300 0.008 0.000 1.225 524 D CA -0.012 53.997 54.000 0.015 0.000 0.972 524 D CB 0.580 41.397 40.800 0.029 0.000 1.208 524 D HN 0.194 nan 8.370 nan 0.000 0.526 525 E N -0.895 119.315 120.200 0.017 0.000 2.364 525 E HA -0.039 4.310 4.350 -0.002 0.000 0.196 525 E C 1.807 178.432 176.600 0.042 0.000 0.990 525 E CA 0.088 56.497 56.400 0.017 0.000 0.886 525 E CB 0.200 29.907 29.700 0.011 0.000 0.866 525 E HN 0.401 nan 8.360 nan 0.000 0.493 526 E N 0.992 121.224 120.200 0.054 0.000 2.033 526 E HA -0.150 4.199 4.350 -0.002 0.000 0.199 526 E C 2.128 178.799 176.600 0.118 0.000 1.011 526 E CA 1.255 57.701 56.400 0.077 0.000 0.815 526 E CB -0.043 29.702 29.700 0.075 0.000 0.755 526 E HN 0.142 nan 8.360 nan 0.000 0.451 527 L N 0.094 121.398 121.223 0.135 0.000 2.109 527 L HA -0.104 4.235 4.340 -0.002 0.000 0.207 527 L C 2.567 179.576 176.870 0.231 0.000 1.086 527 L CA 1.102 56.082 54.840 0.234 0.000 0.760 527 L CB -0.509 41.687 42.059 0.229 0.000 0.910 527 L HN 0.122 nan 8.230 nan 0.000 0.437 528 K N 0.491 120.941 120.400 0.084 0.000 2.063 528 K HA -0.220 4.099 4.320 -0.002 0.000 0.208 528 K C 1.584 178.228 176.600 0.075 0.000 1.048 528 K CA 1.902 58.180 56.287 -0.015 0.000 0.928 528 K CB 0.074 32.521 32.500 -0.088 0.000 0.713 528 K HN 0.198 nan 8.250 nan 0.000 0.442 529 D N -0.393 120.059 120.400 0.087 0.000 2.149 529 D HA -0.065 4.574 4.640 -0.002 0.000 0.201 529 D C 1.543 177.916 176.300 0.121 0.000 0.972 529 D CA 1.220 55.272 54.000 0.087 0.000 0.835 529 D CB -0.003 40.834 40.800 0.062 0.000 0.966 529 D HN 0.309 nan 8.370 nan 0.000 0.476 530 A N -0.289 122.639 122.820 0.180 0.000 2.067 530 A HA -0.017 4.302 4.320 -0.002 0.000 0.217 530 A C 1.832 179.508 177.584 0.154 0.000 1.156 530 A CA 0.351 52.513 52.037 0.209 0.000 0.683 530 A CB -0.665 18.513 19.000 0.297 0.000 0.808 530 A HN 0.294 nan 8.150 nan 0.000 0.455 531 F N 0.395 120.332 119.950 -0.022 0.000 2.128 531 F HA -0.064 4.462 4.527 -0.002 0.000 0.295 531 F C 2.083 177.667 175.800 -0.360 0.000 1.100 531 F CA 1.790 59.520 58.000 -0.450 0.000 1.260 531 F CB -0.341 38.607 39.000 -0.087 0.000 1.009 531 F HN 0.179 nan 8.300 nan 0.000 0.476 532 Q N 0.591 120.547 119.800 0.261 0.000 2.291 532 Q HA -0.195 4.144 4.340 -0.002 0.000 0.205 532 Q C 1.795 177.754 176.000 -0.067 0.000 0.970 532 Q CA 1.172 57.009 55.803 0.057 0.000 0.876 532 Q CB -0.689 28.129 28.738 0.133 0.000 0.935 532 Q HN 0.667 nan 8.270 nan 0.000 0.455 533 N N -0.707 117.950 118.700 -0.072 0.000 2.494 533 N HA -0.036 4.703 4.740 -0.002 0.000 0.182 533 N C 1.159 176.567 175.510 -0.170 0.000 1.076 533 N CA 0.518 53.524 53.050 -0.072 0.000 0.908 533 N CB 0.283 38.770 38.487 -0.001 0.000 0.967 533 N HN 0.125 nan 8.380 nan 0.000 0.449 534 A N -0.847 121.750 122.820 -0.372 0.000 2.192 534 A HA 0.045 4.364 4.320 -0.002 0.000 0.208 534 A C 1.498 178.798 177.584 -0.474 0.000 1.220 534 A CA -0.333 51.404 52.037 -0.499 0.000 0.900 534 A CB -0.493 17.940 19.000 -0.944 0.000 0.937 534 A HN 0.467 nan 8.150 nan 0.000 0.487 535 Y N 1.016 120.930 120.300 -0.643 0.000 2.274 535 Y HA -0.119 4.429 4.550 -0.002 0.000 0.290 535 Y C 1.755 177.483 175.900 -0.286 0.000 1.145 535 Y CA 1.678 59.480 58.100 -0.498 0.000 1.203 535 Y CB -0.038 38.083 38.460 -0.564 0.000 0.984 535 Y HN 0.215 nan 8.280 nan 0.000 0.533 536 L N -0.022 121.148 121.223 -0.089 0.000 1.982 536 L HA -0.165 4.174 4.340 -0.002 0.000 0.206 536 L C 2.479 179.251 176.870 -0.164 0.000 1.078 536 L CA 1.883 56.666 54.840 -0.095 0.000 0.749 536 L CB -1.092 40.949 42.059 -0.030 0.000 0.894 536 L HN 0.244 nan 8.230 nan 0.000 0.436 537 E N 0.567 120.674 120.200 -0.156 0.000 2.095 537 E HA -0.308 4.041 4.350 -0.002 0.000 0.212 537 E C 2.297 178.775 176.600 -0.203 0.000 1.044 537 E CA 1.886 58.190 56.400 -0.160 0.000 0.857 537 E CB -0.287 29.319 29.700 -0.158 0.000 0.764 537 E HN 0.216 nan 8.360 nan 0.000 0.462 538 L N 0.445 121.512 121.223 -0.260 0.000 1.989 538 L HA -0.094 4.245 4.340 -0.002 0.000 0.211 538 L C 2.528 179.263 176.870 -0.225 0.000 1.071 538 L CA 2.468 57.147 54.840 -0.269 0.000 0.749 538 L CB -1.579 40.314 42.059 -0.277 0.000 0.890 538 L HN 0.512 nan 8.230 nan 0.000 0.431 539 G N -1.799 106.825 108.800 -0.293 0.000 2.650 539 G HA2 -0.072 3.887 3.960 -0.002 0.000 0.214 539 G HA3 -0.072 3.887 3.960 -0.002 0.000 0.214 539 G C 1.386 176.181 174.900 -0.174 0.000 1.136 539 G CA 0.475 45.417 45.100 -0.264 0.000 0.789 539 G HN 0.547 nan 8.290 nan 0.000 0.536 540 G N 0.351 109.057 108.800 -0.156 0.000 2.708 540 G HA2 0.049 4.008 3.960 -0.002 0.000 0.210 540 G HA3 0.049 4.008 3.960 -0.002 0.000 0.210 540 G C 1.094 175.945 174.900 -0.081 0.000 1.141 540 G CA 0.146 45.184 45.100 -0.103 0.000 0.788 540 G HN 0.341 nan 8.290 nan 0.000 0.531 541 L N 0.308 121.481 121.223 -0.084 0.000 2.700 541 L HA 0.379 4.718 4.340 -0.002 0.000 0.234 541 L C 1.691 178.541 176.870 -0.033 0.000 1.156 541 L CA 0.267 55.079 54.840 -0.046 0.000 0.946 541 L CB 0.047 42.092 42.059 -0.024 0.000 1.216 541 L HN 0.239 nan 8.230 nan 0.000 0.493 542 G N 0.006 108.776 108.800 -0.051 0.000 2.272 542 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.280 542 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.280 542 G C 0.136 175.015 174.900 -0.035 0.000 1.067 542 G CA 0.031 45.108 45.100 -0.039 0.000 0.902 542 G HN 0.424 nan 8.290 nan 0.000 0.500 543 E N -0.745 119.424 120.200 -0.051 0.000 2.195 543 E HA 0.447 4.796 4.350 -0.002 0.000 0.271 543 E C 0.425 176.991 176.600 -0.058 0.000 0.923 543 E CA -1.090 55.288 56.400 -0.037 0.000 0.790 543 E CB 1.696 31.390 29.700 -0.010 0.000 1.155 543 E HN 0.312 nan 8.360 nan 0.000 0.402 544 R N 1.813 122.296 120.500 -0.027 0.000 2.401 544 R HA 0.194 4.533 4.340 -0.002 0.000 0.299 544 R C -1.008 175.288 176.300 -0.007 0.000 1.064 544 R CA -0.048 56.042 56.100 -0.017 0.000 1.000 544 R CB 0.473 30.777 30.300 0.008 0.000 0.973 544 R HN 0.228 nan 8.270 nan 0.000 0.438 545 V N 6.833 126.732 119.914 -0.025 0.000 2.495 545 V HA 0.407 4.526 4.120 -0.002 0.000 0.298 545 V C -0.161 176.004 176.094 0.118 0.000 1.031 545 V CA -0.709 61.598 62.300 0.011 0.000 0.871 545 V CB 1.777 33.508 31.823 -0.152 0.000 0.988 545 V HN 0.688 nan 8.190 nan 0.000 0.432 546 L N 3.265 124.610 121.223 0.204 0.000 2.319 546 L HA 0.794 5.133 4.340 -0.002 0.000 0.267 546 L C 0.500 177.507 176.870 0.228 0.000 1.011 546 L CA -0.648 54.291 54.840 0.164 0.000 0.818 546 L CB 2.239 44.343 42.059 0.074 0.000 1.316 546 L HN 0.736 nan 8.230 nan 0.000 0.432 547 G N 0.843 109.673 108.800 0.050 0.000 2.372 547 G HA2 0.646 4.605 3.960 -0.002 0.000 0.323 547 G HA3 0.646 4.605 3.960 -0.002 0.000 0.323 547 G C -1.434 173.399 174.900 -0.111 0.000 1.152 547 G CA -0.182 45.056 45.100 0.230 0.000 0.906 547 G HN 0.232 nan 8.290 nan 0.000 0.460 548 F N 1.193 121.240 119.950 0.162 0.000 2.493 548 F HA 0.595 5.121 4.527 -0.002 0.000 0.329 548 F C 0.578 176.366 175.800 -0.020 0.000 1.126 548 F CA -1.040 56.972 58.000 0.021 0.000 0.937 548 F CB 1.981 40.934 39.000 -0.077 0.000 1.146 548 F HN 0.720 nan 8.300 nan 0.000 0.442 549 C N 1.912 121.291 119.300 0.132 0.000 3.086 549 C HA 0.908 5.367 4.460 -0.002 0.000 0.311 549 C C -0.985 174.053 174.990 0.079 0.000 1.260 549 C CA -0.688 58.395 59.018 0.107 0.000 1.426 549 C CB 1.359 29.229 27.740 0.217 0.000 1.826 549 C HN 1.114 nan 8.230 nan 0.000 0.474 550 H N 0.704 119.721 119.070 -0.089 0.000 2.960 550 H HA 0.900 5.455 4.556 -0.002 0.000 0.338 550 H C -2.020 173.170 175.328 -0.229 0.000 1.261 550 H CA -1.133 54.796 56.048 -0.199 0.000 1.136 550 H CB 1.753 31.342 29.762 -0.288 0.000 1.875 550 H HN 0.818 nan 8.280 nan 0.000 0.550 551 L N 1.448 122.401 121.223 -0.451 0.000 2.493 551 L HA 0.394 4.733 4.340 -0.002 0.000 0.265 551 L C -1.991 174.525 176.870 -0.591 0.000 0.954 551 L CA -0.602 53.961 54.840 -0.462 0.000 0.844 551 L CB 1.611 43.538 42.059 -0.221 0.000 1.302 551 L HN 0.618 nan 8.230 nan 0.000 0.405 552 F N 5.488 125.269 119.950 -0.282 0.000 2.413 552 F HA 0.370 4.896 4.527 -0.002 0.000 0.359 552 F C 0.407 176.148 175.800 -0.098 0.000 1.122 552 F CA -0.366 57.528 58.000 -0.176 0.000 1.160 552 F CB 0.607 39.525 39.000 -0.136 0.000 1.146 552 F HN 0.221 nan 8.300 nan 0.000 0.514 553 L N 6.564 127.811 121.223 0.040 0.000 2.456 553 L HA 0.162 4.501 4.340 -0.002 0.000 0.277 553 L C -1.892 175.088 176.870 0.183 0.000 1.124 553 L CA -1.706 53.105 54.840 -0.048 0.000 0.880 553 L CB 0.229 42.039 42.059 -0.414 0.000 1.192 553 L HN 0.301 nan 8.230 nan 0.000 0.463 554 P HA -0.174 nan 4.420 nan 0.000 0.261 554 P C 0.293 177.808 177.300 0.358 0.000 1.140 554 P CA 0.500 63.784 63.100 0.306 0.000 0.757 554 P CB 0.533 32.422 31.700 0.316 0.000 0.735 555 D N 2.786 123.322 120.400 0.226 0.000 2.097 555 D HA -0.149 4.490 4.640 -0.002 0.000 0.195 555 D C 1.343 177.771 176.300 0.213 0.000 0.989 555 D CA 1.561 55.691 54.000 0.215 0.000 0.827 555 D CB 0.119 40.993 40.800 0.122 0.000 0.966 555 D HN 0.367 nan 8.370 nan 0.000 0.456 556 E N 0.864 121.147 120.200 0.138 0.000 2.000 556 E HA -0.161 4.188 4.350 -0.002 0.000 0.199 556 E C 2.133 178.760 176.600 0.045 0.000 1.011 556 E CA 0.947 57.394 56.400 0.078 0.000 0.836 556 E CB -0.573 29.149 29.700 0.037 0.000 0.778 556 E HN 0.344 nan 8.360 nan 0.000 0.462 557 Q N -0.662 119.108 119.800 -0.050 0.000 2.438 557 Q HA -0.185 4.154 4.340 -0.002 0.000 0.216 557 Q C -0.350 175.227 176.000 -0.705 0.000 0.996 557 Q CA 0.983 56.547 55.803 -0.399 0.000 0.923 557 Q CB -0.320 28.071 28.738 -0.579 0.000 0.921 557 Q HN 0.264 nan 8.270 nan 0.000 0.448 558 F N -1.032 119.035 119.950 0.196 0.000 2.915 558 F HA 0.369 4.895 4.527 -0.002 0.000 0.350 558 F C -2.493 173.460 175.800 0.254 0.000 1.248 558 F CA -2.386 55.786 58.000 0.287 0.000 1.084 558 F CB 1.621 40.560 39.000 -0.102 0.000 1.391 558 F HN -0.177 nan 8.300 nan 0.000 0.548 559 P HA 0.223 nan 4.420 nan 0.000 0.314 559 P C -0.881 176.614 177.300 0.324 0.000 1.306 559 P CA -0.732 62.530 63.100 0.270 0.000 0.782 559 P CB 0.829 32.612 31.700 0.137 0.000 1.337 560 E N -0.349 119.984 120.200 0.222 0.000 1.881 560 E HA 0.348 4.697 4.350 -0.002 0.000 0.264 560 E C 0.452 177.156 176.600 0.174 0.000 1.243 560 E CA 0.373 56.898 56.400 0.208 0.000 0.965 560 E CB -1.249 28.515 29.700 0.107 0.000 1.055 560 E HN 0.712 nan 8.360 nan 0.000 0.412 561 G N 4.284 113.222 108.800 0.230 0.000 3.468 561 G HA2 -0.214 3.745 3.960 -0.002 0.000 0.219 561 G HA3 -0.214 3.745 3.960 -0.002 0.000 0.219 561 G C 0.077 175.059 174.900 0.136 0.000 0.968 561 G CA -0.687 44.500 45.100 0.145 0.000 0.851 561 G HN 0.569 nan 8.290 nan 0.000 0.524 562 F N 2.838 122.754 119.950 -0.058 0.000 2.568 562 F HA 0.188 4.714 4.527 -0.002 0.000 0.394 562 F C 0.546 176.143 175.800 -0.338 0.000 1.032 562 F CA 0.317 58.152 58.000 -0.276 0.000 1.242 562 F CB 0.774 39.451 39.000 -0.538 0.000 0.966 562 F HN 0.036 nan 8.300 nan 0.000 0.560 563 Q N 7.799 127.612 119.800 0.022 0.000 2.681 563 Q HA 0.157 4.496 4.340 -0.002 0.000 0.222 563 Q C -0.729 175.480 176.000 0.349 0.000 1.258 563 Q CA -0.140 55.747 55.803 0.140 0.000 1.014 563 Q CB -0.194 28.548 28.738 0.007 0.000 1.384 563 Q HN 0.449 nan 8.270 nan 0.000 0.570 564 F N 0.993 121.241 119.950 0.497 0.000 2.602 564 F HA -0.003 4.523 4.527 -0.002 0.000 0.367 564 F C 1.176 177.150 175.800 0.289 0.000 1.126 564 F CA 0.383 58.609 58.000 0.378 0.000 1.321 564 F CB 0.486 39.580 39.000 0.158 0.000 1.094 564 F HN 0.230 nan 8.300 nan 0.000 0.594 565 D N 0.053 120.718 120.400 0.442 0.000 2.433 565 D HA 0.373 5.012 4.640 -0.002 0.000 0.236 565 D C 0.097 176.522 176.300 0.208 0.000 1.026 565 D CA -0.610 53.541 54.000 0.251 0.000 0.884 565 D CB 1.718 42.609 40.800 0.152 0.000 1.384 565 D HN 0.515 nan 8.370 nan 0.000 0.477 566 T N -0.962 113.680 114.554 0.147 0.000 3.091 566 T HA 0.228 4.577 4.350 -0.002 0.000 0.277 566 T C 0.331 175.059 174.700 0.048 0.000 0.996 566 T CA -0.349 61.814 62.100 0.104 0.000 0.897 566 T CB 0.437 69.385 68.868 0.134 0.000 1.109 566 T HN 0.153 nan 8.240 nan 0.000 0.534 567 D N 2.193 122.616 120.400 0.039 0.000 2.458 567 D HA 0.078 4.717 4.640 -0.002 0.000 0.252 567 D C 0.083 176.381 176.300 -0.003 0.000 1.221 567 D CA 0.509 54.520 54.000 0.019 0.000 0.985 567 D CB -0.511 40.303 40.800 0.024 0.000 1.050 567 D HN 0.219 nan 8.370 nan 0.000 0.411 568 D N 1.696 122.095 120.400 -0.001 0.000 2.472 568 D HA 0.064 4.703 4.640 -0.002 0.000 0.248 568 D C 0.509 176.778 176.300 -0.052 0.000 1.174 568 D CA 0.043 54.032 54.000 -0.018 0.000 0.883 568 D CB 0.682 41.481 40.800 -0.002 0.000 1.149 568 D HN -0.191 nan 8.370 nan 0.000 0.488 569 V N 2.727 122.579 119.914 -0.103 0.000 3.747 569 V HA -0.004 4.115 4.120 -0.002 0.000 0.299 569 V C 1.493 177.470 176.094 -0.196 0.000 1.103 569 V CA 0.392 62.546 62.300 -0.244 0.000 1.154 569 V CB 0.612 32.277 31.823 -0.264 0.000 1.127 569 V HN 0.740 nan 8.190 nan 0.000 0.482 570 N N -1.401 117.100 118.700 -0.330 0.000 2.152 570 N HA 0.034 4.773 4.740 -0.002 0.000 0.309 570 N C -0.397 175.190 175.510 0.128 0.000 1.006 570 N CA 0.170 53.200 53.050 -0.033 0.000 0.678 570 N CB 0.375 38.947 38.487 0.142 0.000 2.012 570 N HN 0.527 nan 8.380 nan 0.000 0.795 571 F N 0.679 120.743 119.950 0.191 0.000 2.618 571 F HA 0.923 5.449 4.527 -0.002 0.000 0.332 571 F C -2.477 173.370 175.800 0.079 0.000 1.061 571 F CA -2.493 55.615 58.000 0.180 0.000 0.974 571 F CB -0.662 38.354 39.000 0.027 0.000 1.310 571 F HN -0.257 nan 8.300 nan 0.000 0.491 572 P HA 0.308 nan 4.420 nan 0.000 0.270 572 P C -0.156 177.247 177.300 0.170 0.000 1.223 572 P CA -0.161 63.063 63.100 0.207 0.000 0.785 572 P CB 0.692 32.495 31.700 0.172 0.000 0.923 573 L N 0.380 121.641 121.223 0.062 0.000 3.429 573 L HA 0.316 4.655 4.340 -0.002 0.000 0.311 573 L C -0.508 176.344 176.870 -0.029 0.000 1.274 573 L CA 0.012 54.849 54.840 -0.005 0.000 1.037 573 L CB 0.377 42.408 42.059 -0.047 0.000 1.433 573 L HN 0.320 nan 8.230 nan 0.000 0.614 574 D N -1.047 119.352 120.400 -0.001 0.000 2.523 574 D HA 0.396 5.035 4.640 -0.002 0.000 0.236 574 D C 0.166 176.469 176.300 0.005 0.000 1.094 574 D CA -0.369 53.627 54.000 -0.007 0.000 0.942 574 D CB 0.864 41.663 40.800 -0.002 0.000 1.447 574 D HN -0.152 nan 8.370 nan 0.000 0.479 575 N N -0.619 118.082 118.700 0.001 0.000 2.778 575 N HA -0.183 4.556 4.740 -0.002 0.000 0.249 575 N C -0.422 175.103 175.510 0.025 0.000 1.069 575 N CA 0.483 53.542 53.050 0.015 0.000 0.831 575 N CB -1.798 36.703 38.487 0.025 0.000 1.142 575 N HN 0.428 nan 8.380 nan 0.000 0.573 576 L N 0.034 121.265 121.223 0.013 0.000 2.503 576 L HA 0.004 4.343 4.340 -0.002 0.000 0.287 576 L C 1.490 178.407 176.870 0.078 0.000 1.252 576 L CA 0.054 54.905 54.840 0.018 0.000 0.835 576 L CB 0.160 42.217 42.059 -0.003 0.000 1.099 576 L HN 0.253 nan 8.230 nan 0.000 0.516 577 C N 2.530 121.902 119.300 0.120 0.000 2.539 577 C HA 0.282 4.741 4.460 -0.002 0.000 0.392 577 C C 0.110 175.259 174.990 0.265 0.000 1.269 577 C CA -0.673 58.469 59.018 0.208 0.000 2.250 577 C CB -0.170 27.737 27.740 0.279 0.000 2.584 577 C HN 0.595 nan 8.230 nan 0.000 0.589 578 F N 5.554 125.553 119.950 0.081 0.000 2.332 578 F HA 0.410 4.936 4.527 -0.002 0.000 0.368 578 F C 0.573 176.415 175.800 0.069 0.000 1.110 578 F CA -0.482 57.567 58.000 0.082 0.000 1.087 578 F CB 0.922 39.975 39.000 0.089 0.000 1.235 578 F HN 0.489 nan 8.300 nan 0.000 0.470 579 V N 4.837 124.492 119.914 -0.432 0.000 2.446 579 V HA 0.357 4.476 4.120 -0.002 0.000 0.244 579 V C 1.235 177.007 176.094 -0.536 0.000 1.039 579 V CA 0.915 62.951 62.300 -0.440 0.000 1.045 579 V CB -0.808 30.762 31.823 -0.422 0.000 0.681 579 V HN 0.969 nan 8.190 nan 0.000 0.459 580 G N -1.002 107.384 108.800 -0.691 0.000 2.321 580 G HA2 0.391 4.350 3.960 -0.002 0.000 0.298 580 G HA3 0.391 4.350 3.960 -0.002 0.000 0.298 580 G C -1.756 173.168 174.900 0.040 0.000 1.385 580 G CA -0.938 43.938 45.100 -0.372 0.000 0.856 580 G HN 0.087 nan 8.290 nan 0.000 0.584 581 L N 0.440 121.867 121.223 0.341 0.000 2.312 581 L HA 0.667 5.006 4.340 -0.002 0.000 0.281 581 L C 0.066 177.103 176.870 0.278 0.000 1.070 581 L CA -0.709 54.376 54.840 0.409 0.000 0.805 581 L CB 1.335 43.587 42.059 0.322 0.000 1.174 581 L HN 0.364 nan 8.230 nan 0.000 0.434 582 I N 1.780 122.544 120.570 0.323 0.000 2.608 582 I HA 0.454 4.623 4.170 -0.002 0.000 0.295 582 I C -0.482 175.756 176.117 0.203 0.000 1.049 582 I CA -0.402 60.999 61.300 0.169 0.000 1.063 582 I CB 2.326 40.293 38.000 -0.054 0.000 1.248 582 I HN 0.593 nan 8.210 nan 0.000 0.424 583 S N 6.166 121.935 115.700 0.115 0.000 2.547 583 S HA 0.781 5.250 4.470 -0.002 0.000 0.281 583 S C -0.650 173.976 174.600 0.042 0.000 1.118 583 S CA -0.935 57.316 58.200 0.084 0.000 0.947 583 S CB 2.043 65.286 63.200 0.071 0.000 1.053 583 S HN 0.635 nan 8.310 nan 0.000 0.482 584 M N 2.324 121.944 119.600 0.033 0.000 2.821 584 M HA 0.800 5.279 4.480 -0.002 0.000 0.304 584 M C -0.950 175.347 176.300 -0.004 0.000 1.233 584 M CA -1.016 54.287 55.300 0.005 0.000 0.851 584 M CB 1.566 34.176 32.600 0.016 0.000 1.723 584 M HN 0.824 nan 8.290 nan 0.000 0.493 585 I N -0.195 120.365 120.570 -0.017 0.000 2.961 585 I HA 0.259 4.428 4.170 -0.002 0.000 0.303 585 I C -2.043 174.060 176.117 -0.024 0.000 1.505 585 I CA -0.457 60.832 61.300 -0.019 0.000 0.964 585 I CB 2.804 40.791 38.000 -0.022 0.000 1.348 585 I HN 0.846 nan 8.210 nan 0.000 0.508 586 D N 6.066 126.453 120.400 -0.022 0.000 2.396 586 D HA 0.467 5.106 4.640 -0.002 0.000 0.225 586 D C -2.525 173.753 176.300 -0.037 0.000 1.121 586 D CA -1.666 52.317 54.000 -0.027 0.000 0.853 586 D CB 1.146 41.932 40.800 -0.024 0.000 1.043 586 D HN 0.086 nan 8.370 nan 0.000 0.500 587 P HA 0.421 nan 4.420 nan 0.000 0.287 587 P C -2.777 174.488 177.300 -0.059 0.000 1.270 587 P CA -1.996 61.073 63.100 -0.051 0.000 0.844 587 P CB 0.708 32.376 31.700 -0.054 0.000 1.068 588 P HA 0.126 nan 4.420 nan 0.000 0.270 588 P C 0.009 177.267 177.300 -0.070 0.000 1.227 588 P CA 0.105 63.153 63.100 -0.086 0.000 0.788 588 P CB 0.451 32.102 31.700 -0.083 0.000 0.926 589 R N 0.904 121.357 120.500 -0.078 0.000 2.583 589 R HA 0.437 4.776 4.340 -0.002 0.000 0.268 589 R C 1.597 177.877 176.300 -0.033 0.000 1.101 589 R CA -0.345 55.728 56.100 -0.044 0.000 1.180 589 R CB -0.062 30.221 30.300 -0.027 0.000 1.128 589 R HN 0.424 nan 8.270 nan 0.000 0.568 590 A N 1.394 124.206 122.820 -0.013 0.000 1.859 590 A HA -0.259 4.060 4.320 -0.002 0.000 0.217 590 A C 2.181 179.766 177.584 0.002 0.000 1.198 590 A CA 2.312 54.345 52.037 -0.007 0.000 0.629 590 A CB -1.118 17.881 19.000 -0.000 0.000 0.830 590 A HN 0.824 nan 8.150 nan 0.000 0.446 591 A N -0.830 122.004 122.820 0.023 0.000 1.969 591 A HA 0.100 4.419 4.320 -0.002 0.000 0.218 591 A C 2.162 179.776 177.584 0.050 0.000 1.169 591 A CA 1.509 53.574 52.037 0.046 0.000 0.635 591 A CB -0.956 18.090 19.000 0.077 0.000 0.810 591 A HN 0.474 nan 8.150 nan 0.000 0.445 592 V N 0.676 120.601 119.914 0.017 0.000 2.277 592 V HA -0.258 3.861 4.120 -0.002 0.000 0.253 592 V C -0.084 175.993 176.094 -0.029 0.000 1.067 592 V CA 2.813 65.082 62.300 -0.053 0.000 1.047 592 V CB -1.693 29.993 31.823 -0.228 0.000 0.649 592 V HN 0.440 nan 8.190 nan 0.000 0.447 593 P HA -0.084 nan 4.420 nan 0.000 0.214 593 P C 1.562 178.868 177.300 0.009 0.000 1.162 593 P CA 1.437 64.527 63.100 -0.017 0.000 0.871 593 P CB -0.122 31.565 31.700 -0.021 0.000 0.783 594 D N 0.525 120.935 120.400 0.015 0.000 2.133 594 D HA -0.166 4.473 4.640 -0.002 0.000 0.195 594 D C 1.125 177.447 176.300 0.036 0.000 0.997 594 D CA 1.442 55.455 54.000 0.021 0.000 0.840 594 D CB -0.296 40.515 40.800 0.019 0.000 0.947 594 D HN 0.026 nan 8.370 nan 0.000 0.452 595 A N -0.111 122.746 122.820 0.061 0.000 2.476 595 A HA 0.332 4.651 4.320 -0.002 0.000 0.263 595 A C 1.514 179.177 177.584 0.133 0.000 1.342 595 A CA -0.176 51.915 52.037 0.091 0.000 0.926 595 A CB 0.388 19.459 19.000 0.119 0.000 1.019 595 A HN 0.196 nan 8.150 nan 0.000 0.515 596 V N -1.784 118.187 119.914 0.094 0.000 3.219 596 V HA 0.086 4.205 4.120 -0.002 0.000 0.240 596 V C 2.387 178.515 176.094 0.057 0.000 1.222 596 V CA 1.336 63.696 62.300 0.100 0.000 1.181 596 V CB 0.213 32.072 31.823 0.061 0.000 0.941 596 V HN 0.529 nan 8.190 nan 0.000 0.471 597 G N -0.172 108.650 108.800 0.037 0.000 2.534 597 G HA2 -0.138 3.821 3.960 -0.002 0.000 0.217 597 G HA3 -0.138 3.821 3.960 -0.002 0.000 0.217 597 G C 1.550 176.463 174.900 0.021 0.000 1.128 597 G CA 0.416 45.530 45.100 0.024 0.000 0.784 597 G HN 0.270 nan 8.290 nan 0.000 0.542 598 K N 0.433 120.849 120.400 0.027 0.000 2.002 598 K HA -0.053 4.266 4.320 -0.002 0.000 0.209 598 K C 2.270 178.877 176.600 0.012 0.000 1.048 598 K CA 0.844 57.141 56.287 0.018 0.000 0.930 598 K CB -0.940 31.572 32.500 0.020 0.000 0.714 598 K HN 0.310 nan 8.250 nan 0.000 0.438 599 C N 1.049 120.361 119.300 0.020 0.000 2.479 599 C HA 0.012 4.471 4.460 -0.002 0.000 0.292 599 C C 2.028 177.021 174.990 0.005 0.000 1.497 599 C CA 0.349 59.373 59.018 0.009 0.000 1.714 599 C CB -1.515 26.238 27.740 0.022 0.000 1.610 599 C HN 0.345 nan 8.230 nan 0.000 0.589 600 R N -1.032 119.473 120.500 0.007 0.000 2.435 600 R HA 0.053 4.391 4.340 -0.002 0.000 0.221 600 R C 2.015 178.315 176.300 0.000 0.000 0.885 600 R CA 0.252 56.355 56.100 0.004 0.000 1.018 600 R CB -0.130 30.176 30.300 0.010 0.000 1.259 600 R HN 0.330 nan 8.270 nan 0.000 0.597 601 S N 1.263 116.963 115.700 0.000 0.000 2.447 601 S HA -0.077 4.392 4.470 -0.002 0.000 0.233 601 S C 1.816 176.411 174.600 -0.008 0.000 1.006 601 S CA 1.197 59.395 58.200 -0.002 0.000 0.957 601 S CB 0.135 63.334 63.200 -0.001 0.000 0.773 601 S HN 0.406 nan 8.310 nan 0.000 0.507 602 A N 0.461 123.275 122.820 -0.011 0.000 2.195 602 A HA 0.527 4.846 4.320 -0.002 0.000 0.210 602 A C 1.692 179.262 177.584 -0.023 0.000 1.165 602 A CA 0.652 52.678 52.037 -0.020 0.000 0.806 602 A CB -0.618 18.367 19.000 -0.025 0.000 0.847 602 A HN 0.890 nan 8.150 nan 0.000 0.482 603 G N -0.493 108.297 108.800 -0.016 0.000 2.143 603 G HA2 -0.215 3.744 3.960 -0.002 0.000 0.248 603 G HA3 -0.215 3.744 3.960 -0.002 0.000 0.248 603 G C 0.093 174.980 174.900 -0.021 0.000 0.991 603 G CA 0.293 45.382 45.100 -0.018 0.000 0.689 603 G HN 0.498 nan 8.290 nan 0.000 0.522 604 I N 0.026 120.585 120.570 -0.018 0.000 2.581 604 I HA 0.290 4.459 4.170 -0.002 0.000 0.288 604 I C 0.855 176.970 176.117 -0.004 0.000 1.047 604 I CA -0.417 60.872 61.300 -0.018 0.000 1.374 604 I CB 1.117 39.105 38.000 -0.020 0.000 1.423 604 I HN -0.100 nan 8.210 nan 0.000 0.549 605 K N 4.970 125.369 120.400 -0.002 0.000 2.227 605 K HA 0.431 4.750 4.320 -0.002 0.000 0.280 605 K C -0.904 175.710 176.600 0.023 0.000 1.041 605 K CA -0.456 55.839 56.287 0.013 0.000 0.905 605 K CB 1.451 33.959 32.500 0.014 0.000 1.068 605 K HN 0.482 nan 8.250 nan 0.000 0.470 606 V N 2.802 122.737 119.914 0.035 0.000 2.532 606 V HA 0.605 4.724 4.120 -0.002 0.000 0.295 606 V C 0.061 176.188 176.094 0.056 0.000 1.041 606 V CA -0.885 61.444 62.300 0.048 0.000 0.926 606 V CB 1.279 33.134 31.823 0.054 0.000 0.992 606 V HN 0.609 nan 8.190 nan 0.000 0.457 607 I N 3.927 124.535 120.570 0.065 0.000 2.569 607 I HA 0.419 4.588 4.170 -0.002 0.000 0.290 607 I C -0.471 175.695 176.117 0.082 0.000 1.088 607 I CA -0.563 60.792 61.300 0.092 0.000 1.047 607 I CB 2.341 40.412 38.000 0.119 0.000 1.237 607 I HN 0.679 nan 8.210 nan 0.000 0.421 608 M N 6.605 126.258 119.600 0.088 0.000 2.146 608 M HA 0.415 4.894 4.480 -0.002 0.000 0.357 608 M C -1.471 174.892 176.300 0.105 0.000 1.261 608 M CA -0.162 55.175 55.300 0.062 0.000 1.106 608 M CB 0.855 33.472 32.600 0.028 0.000 1.612 608 M HN 0.326 nan 8.290 nan 0.000 0.470 609 V N 4.666 124.610 119.914 0.050 0.000 2.357 609 V HA 0.446 4.565 4.120 -0.002 0.000 0.281 609 V C -0.518 175.573 176.094 -0.006 0.000 1.015 609 V CA -0.331 61.987 62.300 0.030 0.000 0.827 609 V CB 1.633 33.430 31.823 -0.042 0.000 1.018 609 V HN 0.903 nan 8.190 nan 0.000 0.432 610 T N 2.854 117.402 114.554 -0.009 0.000 2.952 610 T HA 0.535 4.884 4.350 -0.002 0.000 0.305 610 T C 0.772 175.423 174.700 -0.081 0.000 1.064 610 T CA 0.282 62.355 62.100 -0.045 0.000 1.008 610 T CB 1.670 70.511 68.868 -0.046 0.000 1.078 610 T HN 0.662 nan 8.240 nan 0.000 0.459 611 G N 2.743 111.484 108.800 -0.100 0.000 3.383 611 G HA2 0.184 4.142 3.960 -0.002 0.000 0.251 611 G HA3 0.184 4.142 3.960 -0.002 0.000 0.251 611 G C 0.361 175.136 174.900 -0.210 0.000 1.203 611 G CA -0.172 44.843 45.100 -0.143 0.000 0.852 611 G HN 0.637 nan 8.290 nan 0.000 0.531 612 D N -0.156 120.132 120.400 -0.187 0.000 2.469 612 D HA 0.187 4.825 4.640 -0.002 0.000 0.278 612 D C -0.013 176.103 176.300 -0.306 0.000 1.231 612 D CA -0.427 53.436 54.000 -0.228 0.000 1.075 612 D CB 0.632 41.374 40.800 -0.096 0.000 1.121 612 D HN 0.105 nan 8.370 nan 0.000 0.571 613 H N -0.808 118.253 119.070 -0.016 0.000 2.479 613 H HA 0.222 4.777 4.556 -0.002 0.000 0.335 613 H C -1.538 173.792 175.328 0.003 0.000 1.142 613 H CA -1.628 54.423 56.048 0.006 0.000 1.234 613 H CB 1.364 31.145 29.762 0.031 0.000 1.503 613 H HN 0.194 nan 8.280 nan 0.000 0.510 614 P HA -0.129 nan 4.420 nan 0.000 0.221 614 P C 1.418 178.752 177.300 0.057 0.000 1.145 614 P CA 0.946 64.097 63.100 0.086 0.000 0.795 614 P CB 0.328 32.117 31.700 0.147 0.000 0.775 615 I N -1.900 118.712 120.570 0.069 0.000 2.400 615 I HA -0.076 4.093 4.170 -0.002 0.000 0.248 615 I C 1.769 177.895 176.117 0.015 0.000 1.109 615 I CA 1.466 62.783 61.300 0.029 0.000 1.425 615 I CB -2.267 35.743 38.000 0.017 0.000 1.094 615 I HN -0.025 nan 8.210 nan 0.000 0.425 616 T N 2.042 116.614 114.554 0.030 0.000 2.639 616 T HA -0.025 4.324 4.350 -0.002 0.000 0.261 616 T C 2.229 176.928 174.700 -0.001 0.000 1.053 616 T CA 1.559 63.667 62.100 0.012 0.000 1.158 616 T CB -0.693 68.189 68.868 0.024 0.000 0.863 616 T HN 0.387 nan 8.240 nan 0.000 0.413 617 A N 2.404 125.225 122.820 0.001 0.000 1.901 617 A HA -0.399 3.920 4.320 -0.002 0.000 0.227 617 A C 2.148 179.721 177.584 -0.020 0.000 1.551 617 A CA 3.096 55.124 52.037 -0.014 0.000 0.769 617 A CB -1.185 17.805 19.000 -0.016 0.000 0.845 617 A HN 0.571 nan 8.150 nan 0.000 0.481 618 K N -0.553 119.836 120.400 -0.018 0.000 2.218 618 K HA -0.087 4.232 4.320 -0.002 0.000 0.205 618 K C 1.925 178.510 176.600 -0.025 0.000 1.046 618 K CA 1.596 57.867 56.287 -0.025 0.000 0.933 618 K CB -0.333 32.151 32.500 -0.027 0.000 0.728 618 K HN 0.492 nan 8.250 nan 0.000 0.454 619 A N 0.694 123.501 122.820 -0.021 0.000 1.930 619 A HA -0.021 4.298 4.320 -0.002 0.000 0.215 619 A C 2.004 179.574 177.584 -0.024 0.000 1.176 619 A CA 0.735 52.759 52.037 -0.022 0.000 0.632 619 A CB -0.240 18.747 19.000 -0.021 0.000 0.819 619 A HN 0.275 nan 8.150 nan 0.000 0.445 620 I N 0.066 120.620 120.570 -0.027 0.000 2.286 620 I HA -0.152 4.017 4.170 -0.002 0.000 0.245 620 I C 2.902 178.994 176.117 -0.041 0.000 1.104 620 I CA 1.151 62.430 61.300 -0.036 0.000 1.397 620 I CB -1.362 36.613 38.000 -0.042 0.000 1.072 620 I HN 0.356 nan 8.210 nan 0.000 0.417 621 A N 1.313 124.111 122.820 -0.036 0.000 1.870 621 A HA -0.294 4.025 4.320 -0.002 0.000 0.219 621 A C 2.265 179.831 177.584 -0.030 0.000 1.224 621 A CA 2.325 54.342 52.037 -0.033 0.000 0.650 621 A CB -0.811 18.172 19.000 -0.029 0.000 0.836 621 A HN 0.414 nan 8.150 nan 0.000 0.454 622 K N -0.743 119.641 120.400 -0.026 0.000 2.280 622 K HA -0.075 4.244 4.320 -0.002 0.000 0.202 622 K C 1.967 178.554 176.600 -0.021 0.000 1.047 622 K CA 0.828 57.102 56.287 -0.022 0.000 0.942 622 K CB -0.354 32.134 32.500 -0.020 0.000 0.739 622 K HN 0.527 nan 8.250 nan 0.000 0.457 623 G N 1.186 109.971 108.800 -0.026 0.000 2.404 623 G HA2 -0.190 3.769 3.960 -0.002 0.000 0.213 623 G HA3 -0.190 3.769 3.960 -0.002 0.000 0.213 623 G C 1.650 176.531 174.900 -0.032 0.000 1.189 623 G CA 0.856 45.940 45.100 -0.026 0.000 0.796 623 G HN 0.234 nan 8.290 nan 0.000 0.532 624 V N -1.712 118.174 119.914 -0.047 0.000 2.379 624 V HA 0.422 4.541 4.120 -0.002 0.000 0.245 624 V C 1.832 177.906 176.094 -0.033 0.000 1.044 624 V CA 1.944 64.211 62.300 -0.056 0.000 1.036 624 V CB -0.469 31.297 31.823 -0.095 0.000 0.664 624 V HN 1.283 nan 8.190 nan 0.000 0.453 625 G N -0.333 108.451 108.800 -0.026 0.000 2.240 625 G HA2 -0.101 3.858 3.960 -0.002 0.000 0.181 625 G HA3 -0.101 3.858 3.960 -0.002 0.000 0.181 625 G C 0.371 175.267 174.900 -0.007 0.000 1.028 625 G CA 0.087 45.180 45.100 -0.012 0.000 0.760 625 G HN 0.481 nan 8.290 nan 0.000 0.508 626 I N 0.610 121.173 120.570 -0.011 0.000 3.001 626 I HA 0.194 4.363 4.170 -0.002 0.000 0.268 626 I C 0.738 176.853 176.117 -0.004 0.000 1.267 626 I CA 1.088 62.387 61.300 -0.002 0.000 1.472 626 I CB 0.002 38.000 38.000 -0.003 0.000 1.089 626 I HN 0.157 nan 8.210 nan 0.000 0.468 627 I N 1.346 121.909 120.570 -0.011 0.000 2.495 627 I HA 0.147 4.316 4.170 -0.002 0.000 0.277 627 I C 0.329 176.440 176.117 -0.010 0.000 1.045 627 I CA -0.480 60.813 61.300 -0.012 0.000 1.135 627 I CB 1.099 39.086 38.000 -0.022 0.000 1.241 627 I HN 0.026 nan 8.210 nan 0.000 0.469 628 S N 3.121 118.818 115.700 -0.004 0.000 2.585 628 S HA 0.224 4.693 4.470 -0.002 0.000 0.273 628 S C 0.073 174.671 174.600 -0.004 0.000 1.339 628 S CA -0.643 57.556 58.200 -0.002 0.000 1.028 628 S CB 1.431 64.632 63.200 0.003 0.000 0.906 628 S HN 0.586 nan 8.310 nan 0.000 0.528 629 E N 1.020 121.218 120.200 -0.003 0.000 2.739 629 E HA 0.200 4.549 4.350 -0.002 0.000 0.278 629 E C 1.591 178.189 176.600 -0.003 0.000 0.978 629 E CA 1.715 58.113 56.400 -0.003 0.000 0.978 629 E CB -0.592 29.108 29.700 -0.001 0.000 0.982 629 E HN 1.291 nan 8.360 nan 0.000 0.469 630 G N 3.151 111.948 108.800 -0.004 0.000 2.200 630 G HA2 -0.356 3.603 3.960 -0.002 0.000 0.268 630 G HA3 -0.356 3.603 3.960 -0.002 0.000 0.268 630 G C 0.217 175.116 174.900 -0.003 0.000 0.986 630 G CA 0.534 45.632 45.100 -0.003 0.000 0.677 630 G HN 0.582 nan 8.290 nan 0.000 0.532 631 N N 0.721 119.418 118.700 -0.005 0.000 2.430 631 N HA 0.525 5.264 4.740 -0.002 0.000 0.292 631 N C 0.031 175.534 175.510 -0.012 0.000 1.051 631 N CA -0.155 52.893 53.050 -0.004 0.000 0.917 631 N CB 1.007 39.493 38.487 -0.001 0.000 1.164 631 N HN 0.536 nan 8.380 nan 0.000 0.484 632 E N -0.369 119.824 120.200 -0.013 0.000 2.339 632 E HA 0.396 4.744 4.350 -0.002 0.000 0.262 632 E C -0.558 176.022 176.600 -0.034 0.000 0.934 632 E CA -0.808 55.580 56.400 -0.021 0.000 0.802 632 E CB 1.915 31.605 29.700 -0.016 0.000 1.275 632 E HN 0.451 nan 8.360 nan 0.000 0.427 633 T N -1.199 113.328 114.554 -0.045 0.000 2.919 633 T HA 0.258 4.607 4.350 -0.002 0.000 0.282 633 T C 1.295 175.967 174.700 -0.048 0.000 1.020 633 T CA -0.537 61.523 62.100 -0.066 0.000 0.994 633 T CB 1.073 69.886 68.868 -0.091 0.000 1.180 633 T HN 0.230 nan 8.240 nan 0.000 0.566 634 V N 1.733 121.615 119.914 -0.054 0.000 2.219 634 V HA -0.159 3.960 4.120 -0.002 0.000 0.248 634 V C 2.455 178.530 176.094 -0.031 0.000 1.053 634 V CA 2.459 64.739 62.300 -0.034 0.000 1.009 634 V CB -1.507 30.295 31.823 -0.035 0.000 0.636 634 V HN 0.934 nan 8.190 nan 0.000 0.445 635 E N 0.679 120.857 120.200 -0.036 0.000 2.065 635 E HA -0.273 4.075 4.350 -0.002 0.000 0.201 635 E C 2.045 178.630 176.600 -0.026 0.000 1.016 635 E CA 1.642 58.024 56.400 -0.029 0.000 0.818 635 E CB -0.551 29.130 29.700 -0.031 0.000 0.749 635 E HN 0.559 nan 8.360 nan 0.000 0.453 636 D N 0.259 120.641 120.400 -0.030 0.000 2.191 636 D HA -0.193 4.446 4.640 -0.002 0.000 0.195 636 D C 1.833 178.120 176.300 -0.021 0.000 1.003 636 D CA 0.969 54.953 54.000 -0.026 0.000 0.867 636 D CB -0.083 40.700 40.800 -0.029 0.000 0.926 636 D HN 0.205 nan 8.370 nan 0.000 0.450 637 I N 0.302 120.860 120.570 -0.020 0.000 2.270 637 I HA -0.181 3.987 4.170 -0.002 0.000 0.239 637 I C 2.423 178.531 176.117 -0.014 0.000 1.080 637 I CA 0.716 62.007 61.300 -0.015 0.000 1.383 637 I CB -0.260 37.732 38.000 -0.013 0.000 1.097 637 I HN -0.085 nan 8.210 nan 0.000 0.420 638 A N 0.933 123.745 122.820 -0.014 0.000 1.915 638 A HA -0.296 4.023 4.320 -0.002 0.000 0.220 638 A C 2.189 179.766 177.584 -0.012 0.000 1.198 638 A CA 2.327 54.356 52.037 -0.013 0.000 0.647 638 A CB -0.899 18.092 19.000 -0.014 0.000 0.825 638 A HN 0.507 nan 8.150 nan 0.000 0.456 639 A N -1.779 121.033 122.820 -0.013 0.000 2.276 639 A HA 0.219 4.538 4.320 -0.002 0.000 0.212 639 A C 1.784 179.361 177.584 -0.011 0.000 1.230 639 A CA 0.702 52.732 52.037 -0.012 0.000 0.844 639 A CB -0.343 18.649 19.000 -0.014 0.000 0.860 639 A HN 0.490 nan 8.150 nan 0.000 0.486 640 R N -0.881 119.612 120.500 -0.011 0.000 2.509 640 R HA 0.413 4.752 4.340 -0.002 0.000 0.300 640 R C -0.579 175.716 176.300 -0.008 0.000 0.985 640 R CA 0.125 56.219 56.100 -0.009 0.000 1.092 640 R CB 0.157 30.451 30.300 -0.010 0.000 1.237 640 R HN 0.334 nan 8.270 nan 0.000 0.546 641 L N 0.411 121.629 121.223 -0.008 0.000 3.556 641 L HA 0.164 4.503 4.340 -0.002 0.000 0.346 641 L C -0.212 176.654 176.870 -0.007 0.000 1.340 641 L CA -0.224 54.612 54.840 -0.007 0.000 0.962 641 L CB 0.746 42.801 42.059 -0.007 0.000 1.384 641 L HN 0.046 nan 8.230 nan 0.000 0.615 642 N N 2.917 121.613 118.700 -0.007 0.000 2.860 642 N HA -0.214 4.525 4.740 -0.002 0.000 0.284 642 N C -0.563 174.943 175.510 -0.007 0.000 0.991 642 N CA 0.973 54.019 53.050 -0.007 0.000 0.858 642 N CB -0.467 38.016 38.487 -0.006 0.000 0.933 642 N HN 0.566 nan 8.380 nan 0.000 0.593 643 I N -1.684 118.882 120.570 -0.008 0.000 2.545 643 I HA 0.558 4.727 4.170 -0.002 0.000 0.292 643 I C -2.344 173.768 176.117 -0.008 0.000 1.040 643 I CA -2.512 58.783 61.300 -0.007 0.000 1.068 643 I CB 1.995 39.991 38.000 -0.007 0.000 1.251 643 I HN -0.173 nan 8.210 nan 0.000 0.424 644 P HA -0.033 nan 4.420 nan 0.000 0.266 644 P C 1.045 178.339 177.300 -0.010 0.000 1.180 644 P CA -0.162 62.932 63.100 -0.009 0.000 0.765 644 P CB 0.817 32.512 31.700 -0.008 0.000 0.806 645 V N 1.539 121.446 119.914 -0.011 0.000 2.307 645 V HA -0.197 3.921 4.120 -0.002 0.000 0.245 645 V C 1.742 177.829 176.094 -0.011 0.000 1.045 645 V CA 2.406 64.699 62.300 -0.012 0.000 1.024 645 V CB -1.526 30.289 31.823 -0.014 0.000 0.651 645 V HN 0.652 nan 8.190 nan 0.000 0.449 646 S N -0.101 115.593 115.700 -0.010 0.000 2.889 646 S HA -0.151 4.317 4.470 -0.002 0.000 0.235 646 S C 1.285 175.879 174.600 -0.009 0.000 0.978 646 S CA 0.984 59.179 58.200 -0.009 0.000 1.010 646 S CB -0.493 62.703 63.200 -0.008 0.000 0.799 646 S HN 0.747 nan 8.310 nan 0.000 0.534 647 Q N 0.152 119.946 119.800 -0.010 0.000 2.164 647 Q HA 0.236 4.575 4.340 -0.002 0.000 0.226 647 Q C -0.759 175.235 176.000 -0.010 0.000 0.813 647 Q CA -0.011 55.786 55.803 -0.010 0.000 0.978 647 Q CB 0.840 29.573 28.738 -0.009 0.000 1.149 647 Q HN 0.490 nan 8.270 nan 0.000 0.489 648 V N 2.660 122.567 119.914 -0.011 0.000 2.407 648 V HA 0.206 4.325 4.120 -0.002 0.000 0.278 648 V C 0.071 176.158 176.094 -0.012 0.000 1.037 648 V CA -1.060 61.233 62.300 -0.011 0.000 0.900 648 V CB 1.172 32.989 31.823 -0.011 0.000 0.983 648 V HN 0.227 nan 8.190 nan 0.000 0.459 649 N N 7.022 125.714 118.700 -0.013 0.000 2.400 649 N HA 0.112 4.851 4.740 -0.002 0.000 0.278 649 N C -1.512 173.990 175.510 -0.014 0.000 1.247 649 N CA -1.732 51.307 53.050 -0.018 0.000 0.970 649 N CB 1.006 39.482 38.487 -0.019 0.000 1.312 649 N HN 0.326 nan 8.380 nan 0.000 0.488 650 P HA -0.124 nan 4.420 nan 0.000 0.220 650 P C 0.821 178.141 177.300 0.033 0.000 1.144 650 P CA 0.947 64.056 63.100 0.015 0.000 0.800 650 P CB 0.305 32.012 31.700 0.011 0.000 0.772 651 R N -0.798 119.690 120.500 -0.020 0.000 2.313 651 R HA 0.024 4.363 4.340 -0.002 0.000 0.199 651 R C 1.045 177.355 176.300 0.017 0.000 0.958 651 R CA 0.573 56.662 56.100 -0.019 0.000 1.047 651 R CB -0.922 29.328 30.300 -0.084 0.000 0.955 651 R HN 0.275 nan 8.270 nan 0.000 0.481 652 D N 0.845 121.254 120.400 0.015 0.000 2.312 652 D HA -0.013 4.626 4.640 -0.002 0.000 0.211 652 D C 0.185 176.503 176.300 0.030 0.000 0.964 652 D CA 0.538 54.548 54.000 0.017 0.000 0.877 652 D CB 0.262 41.066 40.800 0.006 0.000 0.924 652 D HN 0.055 nan 8.370 nan 0.000 0.515 653 A N 1.088 123.937 122.820 0.049 0.000 2.260 653 A HA 0.198 4.517 4.320 -0.002 0.000 0.312 653 A C 1.277 178.920 177.584 0.099 0.000 1.321 653 A CA -0.511 51.553 52.037 0.045 0.000 0.928 653 A CB 0.850 19.857 19.000 0.012 0.000 1.158 653 A HN -0.221 nan 8.150 nan 0.000 0.542 654 K N 1.704 122.142 120.400 0.064 0.000 2.007 654 K HA 0.014 4.333 4.320 -0.002 0.000 0.206 654 K C 1.147 177.786 176.600 0.065 0.000 1.047 654 K CA 1.609 57.949 56.287 0.087 0.000 0.937 654 K CB -0.334 32.197 32.500 0.051 0.000 0.718 654 K HN 0.776 nan 8.250 nan 0.000 0.438 655 A N 0.655 123.464 122.820 -0.019 0.000 2.269 655 A HA 0.532 4.851 4.320 -0.002 0.000 0.319 655 A C 0.022 177.474 177.584 -0.219 0.000 1.110 655 A CA -0.296 51.691 52.037 -0.084 0.000 0.847 655 A CB 0.638 19.604 19.000 -0.058 0.000 1.161 655 A HN 0.541 nan 8.150 nan 0.000 0.497 656 C N -1.332 117.810 119.300 -0.264 0.000 3.283 656 C HA 0.652 5.111 4.460 -0.002 0.000 0.359 656 C C -1.057 173.779 174.990 -0.255 0.000 1.160 656 C CA -0.809 58.020 59.018 -0.316 0.000 1.232 656 C CB 0.361 27.761 27.740 -0.567 0.000 1.571 656 C HN 0.829 nan 8.230 nan 0.000 0.522 657 V N 2.046 121.841 119.914 -0.198 0.000 2.398 657 V HA 0.737 4.856 4.120 -0.002 0.000 0.286 657 V C -0.039 175.949 176.094 -0.176 0.000 1.026 657 V CA -0.385 61.815 62.300 -0.167 0.000 0.868 657 V CB 1.268 33.038 31.823 -0.088 0.000 0.982 657 V HN 0.863 nan 8.190 nan 0.000 0.443 658 V N 3.834 123.602 119.914 -0.243 0.000 2.555 658 V HA 0.420 4.539 4.120 -0.002 0.000 0.302 658 V C -0.360 175.698 176.094 -0.059 0.000 1.038 658 V CA -0.623 61.559 62.300 -0.196 0.000 0.887 658 V CB 1.827 33.406 31.823 -0.406 0.000 0.991 658 V HN 0.884 nan 8.190 nan 0.000 0.434 659 H N 3.119 122.165 119.070 -0.041 0.000 2.527 659 H HA 0.244 4.799 4.556 -0.000 0.000 0.321 659 H C 1.267 176.621 175.328 0.043 0.000 1.087 659 H CA 0.468 56.522 56.048 0.008 0.000 1.337 659 H CB 2.000 31.770 29.762 0.013 0.000 1.440 659 H HN 0.805 nan 8.280 nan 0.000 0.490 660 G N 2.874 111.589 108.800 -0.142 0.000 2.591 660 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.218 660 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.218 660 G C 1.014 176.013 174.900 0.165 0.000 1.113 660 G CA 0.836 45.944 45.100 0.014 0.000 0.740 660 G HN 0.513 nan 8.290 nan 0.000 0.569 661 S N -0.253 115.686 115.700 0.398 0.000 2.535 661 S HA 0.098 4.567 4.470 -0.002 0.000 0.214 661 S C 1.221 175.911 174.600 0.151 0.000 0.980 661 S CA 0.093 58.447 58.200 0.258 0.000 0.907 661 S CB 0.286 63.625 63.200 0.231 0.000 0.790 661 S HN 0.307 nan 8.310 nan 0.000 0.510 662 D N 1.058 121.552 120.400 0.158 0.000 2.380 662 D HA 0.203 4.842 4.640 -0.002 0.000 0.212 662 D C 1.804 178.163 176.300 0.099 0.000 1.021 662 D CA 0.038 54.098 54.000 0.100 0.000 0.884 662 D CB -0.048 40.802 40.800 0.084 0.000 1.001 662 D HN 0.223 nan 8.370 nan 0.000 0.506 663 L N 1.344 122.641 121.223 0.122 0.000 1.989 663 L HA -0.233 4.106 4.340 -0.002 0.000 0.211 663 L C 2.487 179.408 176.870 0.086 0.000 1.071 663 L CA 1.466 56.379 54.840 0.123 0.000 0.749 663 L CB -0.236 41.911 42.059 0.147 0.000 0.890 663 L HN 0.013 nan 8.230 nan 0.000 0.431 664 K N -0.262 120.186 120.400 0.079 0.000 2.117 664 K HA -0.278 4.041 4.320 -0.002 0.000 0.215 664 K C 0.924 177.556 176.600 0.053 0.000 1.053 664 K CA 2.362 58.685 56.287 0.061 0.000 0.935 664 K CB -0.077 32.464 32.500 0.068 0.000 0.719 664 K HN 0.409 nan 8.250 nan 0.000 0.460 665 D N -0.410 120.024 120.400 0.057 0.000 2.440 665 D HA 0.108 4.747 4.640 -0.002 0.000 0.216 665 D C 0.269 176.597 176.300 0.047 0.000 1.150 665 D CA 0.047 54.075 54.000 0.047 0.000 0.832 665 D CB 0.337 41.163 40.800 0.044 0.000 0.992 665 D HN 0.288 nan 8.370 nan 0.000 0.502 666 M N 0.156 119.790 119.600 0.056 0.000 2.267 666 M HA 0.148 4.627 4.480 -0.002 0.000 0.303 666 M C 0.671 177.000 176.300 0.048 0.000 1.164 666 M CA 0.141 55.476 55.300 0.058 0.000 1.060 666 M CB 1.544 34.192 32.600 0.080 0.000 1.455 666 M HN -0.210 nan 8.290 nan 0.000 0.483 667 T N -1.439 113.143 114.554 0.047 0.000 2.856 667 T HA 0.264 4.613 4.350 -0.002 0.000 0.283 667 T C 1.052 175.777 174.700 0.041 0.000 1.008 667 T CA -0.285 61.837 62.100 0.037 0.000 0.997 667 T CB 1.230 70.116 68.868 0.030 0.000 0.992 667 T HN 0.830 nan 8.240 nan 0.000 0.454 668 S N 3.272 118.990 115.700 0.030 0.000 2.434 668 S HA -0.320 4.149 4.470 -0.002 0.000 0.250 668 S C 1.408 176.028 174.600 0.034 0.000 1.102 668 S CA 2.330 60.546 58.200 0.025 0.000 1.104 668 S CB -0.872 62.334 63.200 0.010 0.000 0.957 668 S HN 0.888 nan 8.310 nan 0.000 0.456 669 E N 1.198 121.418 120.200 0.033 0.000 2.076 669 E HA -0.033 4.316 4.350 -0.002 0.000 0.190 669 E C 2.503 179.137 176.600 0.056 0.000 0.979 669 E CA 1.213 57.635 56.400 0.037 0.000 0.807 669 E CB -0.303 29.416 29.700 0.031 0.000 0.761 669 E HN 0.711 nan 8.360 nan 0.000 0.454 670 Q N 0.338 120.174 119.800 0.059 0.000 2.226 670 Q HA -0.114 4.225 4.340 -0.002 0.000 0.204 670 Q C 2.155 178.212 176.000 0.095 0.000 0.975 670 Q CA 0.839 56.685 55.803 0.072 0.000 0.866 670 Q CB -0.020 28.756 28.738 0.063 0.000 0.915 670 Q HN 0.306 nan 8.270 nan 0.000 0.440 671 L N 0.493 121.774 121.223 0.096 0.000 2.068 671 L HA -0.164 4.175 4.340 -0.002 0.000 0.204 671 L C 1.212 178.147 176.870 0.109 0.000 1.076 671 L CA 1.179 56.096 54.840 0.128 0.000 0.753 671 L CB -0.121 42.009 42.059 0.119 0.000 0.910 671 L HN 0.211 nan 8.230 nan 0.000 0.439 672 D N 0.149 120.588 120.400 0.064 0.000 2.221 672 D HA -0.205 4.434 4.640 -0.002 0.000 0.204 672 D C 1.555 177.865 176.300 0.017 0.000 0.982 672 D CA 1.301 55.317 54.000 0.027 0.000 0.857 672 D CB -0.139 40.665 40.800 0.005 0.000 0.934 672 D HN 0.423 nan 8.370 nan 0.000 0.475 673 D N -0.087 120.358 120.400 0.076 0.000 2.162 673 D HA 0.023 4.662 4.640 -0.002 0.000 0.203 673 D C 2.153 178.552 176.300 0.164 0.000 0.967 673 D CA 0.273 54.375 54.000 0.169 0.000 0.840 673 D CB 0.000 40.934 40.800 0.222 0.000 0.972 673 D HN 0.192 nan 8.370 nan 0.000 0.482 674 I N 0.106 120.755 120.570 0.132 0.000 2.394 674 I HA -0.194 3.975 4.170 -0.002 0.000 0.251 674 I C 1.488 177.704 176.117 0.165 0.000 1.136 674 I CA 0.458 61.857 61.300 0.165 0.000 1.425 674 I CB 0.076 38.206 38.000 0.217 0.000 1.079 674 I HN 0.067 nan 8.210 nan 0.000 0.425 675 L N 0.440 121.735 121.223 0.120 0.000 2.102 675 L HA -0.069 4.270 4.340 -0.002 0.000 0.202 675 L C 2.334 179.182 176.870 -0.036 0.000 1.076 675 L CA 1.578 56.470 54.840 0.087 0.000 0.761 675 L CB -1.049 41.059 42.059 0.083 0.000 0.921 675 L HN 0.111 nan 8.230 nan 0.000 0.444 676 K N -1.473 118.840 120.400 -0.145 0.000 2.280 676 K HA -0.184 4.135 4.320 -0.002 0.000 0.202 676 K C 1.063 177.381 176.600 -0.470 0.000 1.047 676 K CA 1.396 57.470 56.287 -0.355 0.000 0.942 676 K CB 0.101 32.270 32.500 -0.553 0.000 0.739 676 K HN 0.268 nan 8.250 nan 0.000 0.457 677 Y N -1.592 118.597 120.300 -0.185 0.000 2.527 677 Y HA 0.218 4.768 4.550 -0.001 0.000 0.247 677 Y C -0.265 175.430 175.900 -0.341 0.000 1.138 677 Y CA -0.425 57.506 58.100 -0.281 0.000 1.228 677 Y CB 0.686 38.923 38.460 -0.372 0.000 1.252 677 Y HN -0.009 nan 8.280 nan 0.000 0.531 678 H N -1.719 117.420 119.070 0.115 0.000 2.622 678 H HA 0.348 4.902 4.556 -0.002 0.000 0.363 678 H C 0.916 176.267 175.328 0.038 0.000 1.151 678 H CA 0.045 56.131 56.048 0.064 0.000 1.184 678 H CB 1.993 31.777 29.762 0.036 0.000 1.643 678 H HN 0.001 nan 8.280 nan 0.000 0.531 679 T N -1.246 113.404 114.554 0.161 0.000 3.004 679 T HA 0.056 4.405 4.350 -0.002 0.000 0.243 679 T C 0.401 175.144 174.700 0.072 0.000 1.020 679 T CA 0.048 62.201 62.100 0.088 0.000 1.145 679 T CB 0.147 69.050 68.868 0.059 0.000 0.876 679 T HN 0.576 nan 8.240 nan 0.000 0.449 680 E N 1.832 122.065 120.200 0.056 0.000 2.035 680 E HA 0.509 4.858 4.350 -0.002 0.000 0.271 680 E C -0.779 175.816 176.600 -0.008 0.000 0.953 680 E CA -0.304 56.109 56.400 0.022 0.000 0.777 680 E CB 1.137 30.840 29.700 0.004 0.000 1.104 680 E HN 0.547 nan 8.360 nan 0.000 0.408 681 I N 1.604 122.183 120.570 0.014 0.000 2.648 681 I HA 0.388 4.557 4.170 -0.002 0.000 0.304 681 I C -0.210 175.897 176.117 -0.017 0.000 1.009 681 I CA -1.342 59.941 61.300 -0.027 0.000 1.114 681 I CB 2.036 40.078 38.000 0.069 0.000 1.293 681 I HN 0.166 nan 8.210 nan 0.000 0.449 682 V N 4.808 124.655 119.914 -0.112 0.000 2.538 682 V HA 0.247 4.366 4.120 -0.002 0.000 0.265 682 V C -0.726 175.317 176.094 -0.085 0.000 0.977 682 V CA -0.509 61.766 62.300 -0.041 0.000 0.852 682 V CB 0.409 32.199 31.823 -0.055 0.000 1.058 682 V HN 0.392 nan 8.190 nan 0.000 0.462 683 F N 3.008 122.935 119.950 -0.039 0.000 2.494 683 F HA 0.611 5.137 4.527 -0.001 0.000 0.369 683 F C 1.003 176.748 175.800 -0.090 0.000 1.098 683 F CA 0.144 58.112 58.000 -0.053 0.000 1.154 683 F CB 0.600 39.574 39.000 -0.044 0.000 1.103 683 F HN 0.532 nan 8.300 nan 0.000 0.549 684 A N 3.775 126.581 122.820 -0.023 0.000 2.294 684 A HA 0.706 5.025 4.320 -0.002 0.000 0.330 684 A C 0.329 177.753 177.584 -0.268 0.000 1.133 684 A CA -1.165 50.801 52.037 -0.119 0.000 0.836 684 A CB 0.518 19.450 19.000 -0.114 0.000 1.190 684 A HN 0.796 nan 8.150 nan 0.000 0.492 685 R N -0.222 120.115 120.500 -0.273 0.000 2.193 685 R HA -0.151 4.188 4.340 -0.002 0.000 0.295 685 R C -0.770 175.396 176.300 -0.222 0.000 1.096 685 R CA 1.416 57.333 56.100 -0.304 0.000 1.042 685 R CB -1.328 28.741 30.300 -0.385 0.000 2.840 685 R HN 1.003 nan 8.270 nan 0.000 0.515 686 T N 0.903 115.377 114.554 -0.133 0.000 2.893 686 T HA 0.453 4.802 4.350 -0.002 0.000 0.293 686 T C 0.002 174.658 174.700 -0.073 0.000 1.027 686 T CA -0.915 61.138 62.100 -0.079 0.000 0.988 686 T CB 1.955 70.793 68.868 -0.050 0.000 1.043 686 T HN 0.320 nan 8.240 nan 0.000 0.461 687 S N 3.273 118.939 115.700 -0.057 0.000 2.563 687 S HA 0.099 4.568 4.470 -0.002 0.000 0.269 687 S C -1.335 173.223 174.600 -0.071 0.000 1.364 687 S CA -0.724 57.437 58.200 -0.064 0.000 1.010 687 S CB 0.027 63.195 63.200 -0.053 0.000 0.877 687 S HN 0.566 nan 8.310 nan 0.000 0.549 688 P HA -0.114 nan 4.420 nan 0.000 0.213 688 P C 1.422 178.681 177.300 -0.068 0.000 1.170 688 P CA 1.109 64.170 63.100 -0.065 0.000 0.898 688 P CB 0.015 31.682 31.700 -0.055 0.000 0.787 689 Q N -0.252 119.507 119.800 -0.069 0.000 2.182 689 Q HA -0.262 4.077 4.340 -0.002 0.000 0.213 689 Q C 2.245 178.201 176.000 -0.073 0.000 1.000 689 Q CA 1.895 57.657 55.803 -0.069 0.000 0.889 689 Q CB -1.111 27.590 28.738 -0.061 0.000 0.932 689 Q HN 0.439 nan 8.270 nan 0.000 0.415 690 Q N 0.015 119.773 119.800 -0.069 0.000 2.226 690 Q HA -0.140 4.199 4.340 -0.002 0.000 0.204 690 Q C 1.830 177.757 176.000 -0.121 0.000 0.975 690 Q CA 1.058 56.816 55.803 -0.075 0.000 0.866 690 Q CB -0.017 28.692 28.738 -0.048 0.000 0.915 690 Q HN 0.386 nan 8.270 nan 0.000 0.440 691 K N 0.729 121.060 120.400 -0.115 0.000 2.001 691 K HA -0.136 4.183 4.320 -0.002 0.000 0.208 691 K C 2.140 178.649 176.600 -0.151 0.000 1.048 691 K CA 0.979 57.181 56.287 -0.142 0.000 0.932 691 K CB -0.320 32.120 32.500 -0.101 0.000 0.715 691 K HN 0.141 nan 8.250 nan 0.000 0.437 692 L N 1.590 122.745 121.223 -0.113 0.000 1.978 692 L HA -0.260 4.079 4.340 -0.002 0.000 0.218 692 L C 2.080 178.881 176.870 -0.116 0.000 1.075 692 L CA 1.507 56.284 54.840 -0.105 0.000 0.767 692 L CB -0.378 41.630 42.059 -0.086 0.000 0.890 692 L HN 0.181 nan 8.230 nan 0.000 0.434 693 I N 0.288 120.793 120.570 -0.109 0.000 2.367 693 I HA -0.351 3.818 4.170 -0.002 0.000 0.256 693 I C 2.360 178.390 176.117 -0.145 0.000 1.132 693 I CA 1.828 63.066 61.300 -0.103 0.000 1.397 693 I CB -1.104 36.849 38.000 -0.079 0.000 1.074 693 I HN 0.464 nan 8.210 nan 0.000 0.435 694 I N -0.999 119.434 120.570 -0.229 0.000 2.364 694 I HA -0.121 4.048 4.170 -0.002 0.000 0.241 694 I C 2.538 178.518 176.117 -0.229 0.000 1.082 694 I CA 0.402 61.496 61.300 -0.343 0.000 1.401 694 I CB -0.765 36.830 38.000 -0.677 0.000 1.126 694 I HN -0.123 nan 8.210 nan 0.000 0.429 695 V N 1.456 121.255 119.914 -0.192 0.000 2.226 695 V HA -0.401 3.718 4.120 -0.002 0.000 0.254 695 V C 2.542 178.574 176.094 -0.103 0.000 1.065 695 V CA 2.414 64.637 62.300 -0.129 0.000 1.039 695 V CB -0.741 31.018 31.823 -0.107 0.000 0.653 695 V HN 0.456 nan 8.190 nan 0.000 0.450 696 E N -0.494 119.648 120.200 -0.097 0.000 2.169 696 E HA -0.256 4.093 4.350 -0.002 0.000 0.202 696 E C 2.084 178.644 176.600 -0.067 0.000 1.016 696 E CA 1.447 57.802 56.400 -0.076 0.000 0.817 696 E CB -0.397 29.261 29.700 -0.070 0.000 0.736 696 E HN 0.705 nan 8.360 nan 0.000 0.462 697 G N -0.721 108.035 108.800 -0.074 0.000 2.744 697 G HA2 -0.115 3.844 3.960 -0.002 0.000 0.211 697 G HA3 -0.115 3.844 3.960 -0.002 0.000 0.211 697 G C 1.527 176.399 174.900 -0.047 0.000 1.146 697 G CA 0.141 45.209 45.100 -0.053 0.000 0.787 697 G HN 0.268 nan 8.290 nan 0.000 0.534 698 C N 0.348 119.611 119.300 -0.062 0.000 2.476 698 C HA -0.027 4.432 4.460 -0.002 0.000 0.278 698 C C 2.857 177.817 174.990 -0.050 0.000 1.274 698 C CA 0.819 59.808 59.018 -0.048 0.000 1.713 698 C CB -0.759 26.948 27.740 -0.055 0.000 2.039 698 C HN 0.496 nan 8.230 nan 0.000 0.484 699 Q N 0.596 120.362 119.800 -0.057 0.000 2.014 699 Q HA -0.279 4.060 4.340 -0.002 0.000 0.207 699 Q C 2.255 178.225 176.000 -0.049 0.000 0.993 699 Q CA 1.886 57.656 55.803 -0.055 0.000 0.850 699 Q CB -0.404 28.299 28.738 -0.058 0.000 0.916 699 Q HN 0.603 nan 8.270 nan 0.000 0.417 700 R N 1.165 121.637 120.500 -0.046 0.000 2.346 700 R HA -0.264 4.075 4.340 -0.002 0.000 0.244 700 R C 0.573 176.849 176.300 -0.040 0.000 1.074 700 R CA 2.363 58.439 56.100 -0.040 0.000 0.910 700 R CB -0.380 29.899 30.300 -0.034 0.000 0.970 700 R HN 0.416 nan 8.270 nan 0.000 0.432 701 Q N -0.919 118.855 119.800 -0.043 0.000 2.771 701 Q HA 0.307 4.646 4.340 -0.002 0.000 0.239 701 Q C 0.720 176.690 176.000 -0.050 0.000 1.231 701 Q CA -0.002 55.773 55.803 -0.046 0.000 1.056 701 Q CB 1.215 29.922 28.738 -0.051 0.000 1.284 701 Q HN 0.581 nan 8.270 nan 0.000 0.558 702 G N 2.227 110.998 108.800 -0.049 0.000 3.639 702 G HA2 -0.484 3.475 3.960 -0.002 0.000 0.224 702 G HA3 -0.484 3.475 3.960 -0.002 0.000 0.224 702 G C 0.581 175.446 174.900 -0.058 0.000 1.339 702 G CA 0.077 45.145 45.100 -0.053 0.000 0.933 702 G HN 1.083 nan 8.290 nan 0.000 0.568 703 A N 1.604 124.390 122.820 -0.058 0.000 2.616 703 A HA 0.339 4.658 4.320 -0.002 0.000 0.234 703 A C 0.728 178.273 177.584 -0.065 0.000 1.024 703 A CA 0.851 52.851 52.037 -0.061 0.000 0.758 703 A CB -0.038 18.930 19.000 -0.054 0.000 0.939 703 A HN 0.901 nan 8.150 nan 0.000 0.510 704 I N 3.259 123.785 120.570 -0.074 0.000 2.416 704 I HA 0.267 4.436 4.170 -0.002 0.000 0.288 704 I C 0.176 176.250 176.117 -0.071 0.000 1.051 704 I CA 0.039 61.292 61.300 -0.078 0.000 1.375 704 I CB 0.655 38.598 38.000 -0.095 0.000 1.407 704 I HN 0.394 nan 8.210 nan 0.000 0.516 705 V N 4.469 124.343 119.914 -0.067 0.000 2.540 705 V HA 0.845 4.964 4.120 -0.002 0.000 0.302 705 V C 0.266 176.323 176.094 -0.062 0.000 1.035 705 V CA -0.923 61.340 62.300 -0.061 0.000 0.873 705 V CB 1.232 33.020 31.823 -0.059 0.000 0.992 705 V HN 0.807 nan 8.190 nan 0.000 0.428 706 A N 3.508 126.294 122.820 -0.058 0.000 2.269 706 A HA 0.931 5.250 4.320 -0.002 0.000 0.319 706 A C -0.569 176.989 177.584 -0.044 0.000 1.110 706 A CA -0.746 51.256 52.037 -0.058 0.000 0.847 706 A CB 1.681 20.641 19.000 -0.067 0.000 1.161 706 A HN 1.015 nan 8.150 nan 0.000 0.497 707 V N 0.870 120.759 119.914 -0.041 0.000 2.668 707 V HA 0.463 4.582 4.120 -0.002 0.000 0.304 707 V C -0.385 175.703 176.094 -0.010 0.000 1.071 707 V CA -0.411 61.874 62.300 -0.024 0.000 0.894 707 V CB 2.378 34.179 31.823 -0.036 0.000 1.008 707 V HN 1.083 nan 8.190 nan 0.000 0.425 708 T N 2.521 117.094 114.554 0.032 0.000 2.867 708 T HA 0.888 5.237 4.350 -0.002 0.000 0.282 708 T C 0.236 174.972 174.700 0.061 0.000 1.000 708 T CA -0.246 61.897 62.100 0.071 0.000 1.042 708 T CB 1.907 70.910 68.868 0.226 0.000 0.973 708 T HN 1.099 nan 8.240 nan 0.000 0.465 709 G N 0.391 109.220 108.800 0.048 0.000 2.606 709 G HA2 0.598 4.557 3.960 -0.002 0.000 0.300 709 G HA3 0.598 4.557 3.960 -0.002 0.000 0.300 709 G C -1.022 173.893 174.900 0.024 0.000 1.360 709 G CA -0.460 44.656 45.100 0.027 0.000 0.783 709 G HN 0.659 nan 8.290 nan 0.000 0.484 710 D N -2.032 118.373 120.400 0.008 0.000 2.319 710 D HA 0.142 4.781 4.640 -0.002 0.000 0.406 710 D C 0.752 177.046 176.300 -0.009 0.000 1.087 710 D CA 0.632 54.634 54.000 0.003 0.000 0.945 710 D CB 0.221 41.025 40.800 0.006 0.000 1.430 710 D HN 0.908 nan 8.370 nan 0.000 0.487 711 G N 1.143 109.935 108.800 -0.013 0.000 2.416 711 G HA2 0.419 4.378 3.960 -0.002 0.000 0.329 711 G HA3 0.419 4.378 3.960 -0.002 0.000 0.329 711 G C 0.868 175.754 174.900 -0.023 0.000 1.173 711 G CA -0.200 44.885 45.100 -0.026 0.000 0.929 711 G HN 0.106 nan 8.290 nan 0.000 0.475 712 V N 2.349 122.235 119.914 -0.047 0.000 2.660 712 V HA -0.194 3.925 4.120 -0.002 0.000 0.257 712 V C 2.255 178.346 176.094 -0.005 0.000 1.088 712 V CA 2.489 64.759 62.300 -0.049 0.000 1.106 712 V CB -0.555 31.142 31.823 -0.209 0.000 0.686 712 V HN 0.841 nan 8.190 nan 0.000 0.481 713 N N -0.725 117.956 118.700 -0.030 0.000 2.573 713 N HA -0.165 4.574 4.740 -0.002 0.000 0.187 713 N C 1.225 176.725 175.510 -0.017 0.000 1.107 713 N CA 1.663 54.697 53.050 -0.027 0.000 0.918 713 N CB -0.411 38.046 38.487 -0.050 0.000 0.966 713 N HN 0.594 nan 8.380 nan 0.000 0.448 714 D N 0.416 120.813 120.400 -0.006 0.000 2.324 714 D HA -0.005 4.634 4.640 -0.002 0.000 0.212 714 D C 1.699 177.996 176.300 -0.006 0.000 0.984 714 D CA 0.651 54.644 54.000 -0.013 0.000 0.885 714 D CB 0.283 41.076 40.800 -0.011 0.000 0.996 714 D HN 0.311 nan 8.370 nan 0.000 0.505 715 S N 2.113 117.828 115.700 0.026 0.000 2.420 715 S HA -0.256 4.213 4.470 -0.002 0.000 0.278 715 S C -0.789 173.799 174.600 -0.021 0.000 1.111 715 S CA 1.596 59.810 58.200 0.024 0.000 1.315 715 S CB -2.173 61.076 63.200 0.082 0.000 1.226 715 S HN 0.131 nan 8.310 nan 0.000 0.444 716 P HA -0.237 nan 4.420 nan 0.000 0.222 716 P C 1.815 179.078 177.300 -0.061 0.000 1.159 716 P CA 2.379 65.442 63.100 -0.062 0.000 0.920 716 P CB -0.417 31.243 31.700 -0.066 0.000 0.793 717 A N -1.562 121.223 122.820 -0.058 0.000 1.872 717 A HA -0.128 4.191 4.320 -0.002 0.000 0.214 717 A C 2.398 179.950 177.584 -0.053 0.000 1.187 717 A CA 1.885 53.885 52.037 -0.063 0.000 0.614 717 A CB -1.524 17.436 19.000 -0.068 0.000 0.826 717 A HN 0.119 nan 8.150 nan 0.000 0.442 718 S N -1.131 114.544 115.700 -0.041 0.000 2.520 718 S HA -0.083 4.386 4.470 -0.002 0.000 0.249 718 S C 1.507 176.081 174.600 -0.043 0.000 0.983 718 S CA 1.251 59.429 58.200 -0.036 0.000 0.958 718 S CB -0.175 63.011 63.200 -0.023 0.000 0.750 718 S HN 0.470 nan 8.310 nan 0.000 0.527 719 K N 0.078 120.448 120.400 -0.049 0.000 2.592 719 K HA 0.217 4.536 4.320 -0.002 0.000 0.203 719 K C 0.603 177.166 176.600 -0.062 0.000 1.070 719 K CA 0.078 56.332 56.287 -0.056 0.000 1.062 719 K CB 0.435 32.900 32.500 -0.059 0.000 0.814 719 K HN 0.033 nan 8.250 nan 0.000 0.502 720 K N 0.004 120.367 120.400 -0.062 0.000 2.477 720 K HA 0.306 4.625 4.320 -0.002 0.000 0.208 720 K C -0.177 176.385 176.600 -0.063 0.000 1.117 720 K CA 0.040 56.289 56.287 -0.064 0.000 1.039 720 K CB 0.857 33.316 32.500 -0.068 0.000 0.937 720 K HN 0.097 nan 8.250 nan 0.000 0.570 721 A N 1.191 123.974 122.820 -0.061 0.000 2.477 721 A HA 0.079 4.398 4.320 -0.002 0.000 0.246 721 A C 0.471 178.018 177.584 -0.063 0.000 1.078 721 A CA 0.094 52.094 52.037 -0.061 0.000 0.770 721 A CB 0.159 19.125 19.000 -0.058 0.000 1.011 721 A HN 0.366 nan 8.150 nan 0.000 0.494 722 D N 0.346 120.707 120.400 -0.065 0.000 2.104 722 D HA -0.098 4.541 4.640 -0.002 0.000 0.194 722 D C 0.572 176.830 176.300 -0.069 0.000 0.994 722 D CA 1.641 55.600 54.000 -0.067 0.000 0.830 722 D CB 0.148 40.905 40.800 -0.071 0.000 0.959 722 D HN 0.542 nan 8.370 nan 0.000 0.452 723 I N -0.164 120.363 120.570 -0.070 0.000 2.582 723 I HA 0.426 4.595 4.170 -0.002 0.000 0.292 723 I C -1.002 175.075 176.117 -0.067 0.000 1.066 723 I CA -0.599 60.658 61.300 -0.071 0.000 1.053 723 I CB 2.181 40.134 38.000 -0.078 0.000 1.241 723 I HN -0.135 nan 8.210 nan 0.000 0.421 724 G N 6.967 115.728 108.800 -0.064 0.000 2.422 724 G HA2 0.565 4.524 3.960 -0.002 0.000 0.317 724 G HA3 0.565 4.524 3.960 -0.002 0.000 0.317 724 G C -1.161 173.704 174.900 -0.057 0.000 1.210 724 G CA -0.297 44.769 45.100 -0.056 0.000 0.930 724 G HN 0.391 nan 8.290 nan 0.000 0.468 725 V N 1.939 121.819 119.914 -0.057 0.000 2.394 725 V HA 0.703 4.822 4.120 -0.002 0.000 0.282 725 V C 0.724 176.798 176.094 -0.033 0.000 1.031 725 V CA -0.506 61.757 62.300 -0.061 0.000 0.881 725 V CB 0.857 32.622 31.823 -0.097 0.000 0.982 725 V HN 1.012 nan 8.190 nan 0.000 0.451 726 A N 6.263 129.065 122.820 -0.029 0.000 2.420 726 A HA 0.957 5.276 4.320 -0.002 0.000 0.291 726 A C -0.325 177.259 177.584 -0.000 0.000 1.228 726 A CA -0.756 51.275 52.037 -0.010 0.000 0.933 726 A CB 0.998 19.989 19.000 -0.014 0.000 1.428 726 A HN 0.661 nan 8.150 nan 0.000 0.493 727 M N -0.351 119.256 119.600 0.011 0.000 2.598 727 M HA 0.347 4.826 4.480 -0.002 0.000 0.317 727 M C 1.265 177.568 176.300 0.004 0.000 1.179 727 M CA -0.221 55.090 55.300 0.018 0.000 0.936 727 M CB 1.173 33.795 32.600 0.037 0.000 1.713 727 M HN 0.861 nan 8.290 nan 0.000 0.460 728 G N 1.682 110.484 108.800 0.002 0.000 2.456 728 G HA2 0.016 3.975 3.960 -0.002 0.000 0.213 728 G HA3 0.016 3.975 3.960 -0.002 0.000 0.213 728 G C 1.182 176.080 174.900 -0.004 0.000 1.215 728 G CA 0.602 45.699 45.100 -0.005 0.000 0.805 728 G HN 0.732 nan 8.290 nan 0.000 0.537 729 I N -1.036 119.534 120.570 0.000 0.000 3.339 729 I HA 0.359 4.528 4.170 -0.002 0.000 0.285 729 I C 2.855 178.972 176.117 -0.000 0.000 1.201 729 I CA 0.677 61.977 61.300 -0.001 0.000 1.434 729 I CB -0.421 37.578 38.000 -0.000 0.000 1.152 729 I HN 0.164 nan 8.210 nan 0.000 0.443 730 A N 2.465 125.287 122.820 0.003 0.000 1.827 730 A HA 0.069 4.388 4.320 -0.002 0.000 0.215 730 A C 1.839 179.420 177.584 -0.004 0.000 1.212 730 A CA 1.561 53.599 52.037 0.001 0.000 0.624 730 A CB -1.633 17.370 19.000 0.006 0.000 0.853 730 A HN 0.457 nan 8.150 nan 0.000 0.450 731 G N -0.879 107.920 108.800 -0.002 0.000 2.939 731 G HA2 0.295 4.254 3.960 -0.002 0.000 0.257 731 G HA3 0.295 4.254 3.960 -0.002 0.000 0.257 731 G C 0.262 175.155 174.900 -0.012 0.000 1.259 731 G CA 0.479 45.575 45.100 -0.006 0.000 0.928 731 G HN 1.256 nan 8.290 nan 0.000 0.615 732 S N -0.865 114.825 115.700 -0.016 0.000 2.537 732 S HA 0.367 4.836 4.470 -0.002 0.000 0.301 732 S C 0.564 175.155 174.600 -0.016 0.000 1.092 732 S CA -0.435 57.750 58.200 -0.024 0.000 1.048 732 S CB 2.159 65.334 63.200 -0.042 0.000 1.053 732 S HN 0.500 nan 8.310 nan 0.000 0.501 733 D N 1.424 121.814 120.400 -0.016 0.000 2.347 733 D HA -0.186 4.453 4.640 -0.002 0.000 0.189 733 D C 1.761 178.067 176.300 0.010 0.000 1.020 733 D CA 1.665 55.663 54.000 -0.004 0.000 0.875 733 D CB -0.535 40.263 40.800 -0.003 0.000 0.928 733 D HN 0.398 nan 8.370 nan 0.000 0.454 734 V N 0.761 120.683 119.914 0.014 0.000 2.232 734 V HA -0.310 3.809 4.120 -0.002 0.000 0.237 734 V C 2.537 178.659 176.094 0.047 0.000 1.035 734 V CA 2.553 64.892 62.300 0.065 0.000 0.988 734 V CB -1.231 30.657 31.823 0.108 0.000 0.636 734 V HN 0.369 nan 8.190 nan 0.000 0.456 735 S N 2.274 117.995 115.700 0.034 0.000 2.502 735 S HA -0.468 4.001 4.470 -0.002 0.000 0.288 735 S C 1.804 176.408 174.600 0.006 0.000 1.186 735 S CA 2.751 60.962 58.200 0.018 0.000 1.182 735 S CB -1.057 62.146 63.200 0.004 0.000 1.135 735 S HN 0.824 nan 8.310 nan 0.000 0.442 736 K N 0.843 121.243 120.400 0.000 0.000 1.984 736 K HA -0.001 4.318 4.320 -0.002 0.000 0.209 736 K C 2.106 178.698 176.600 -0.012 0.000 1.046 736 K CA 1.142 57.423 56.287 -0.010 0.000 0.934 736 K CB -0.495 31.998 32.500 -0.013 0.000 0.717 736 K HN 0.210 nan 8.250 nan 0.000 0.438 737 Q N 0.444 120.242 119.800 -0.003 0.000 2.631 737 Q HA -0.022 4.317 4.340 -0.002 0.000 0.220 737 Q C 0.320 176.315 176.000 -0.009 0.000 0.978 737 Q CA 0.878 56.677 55.803 -0.006 0.000 0.961 737 Q CB 0.240 28.983 28.738 0.008 0.000 0.988 737 Q HN 0.548 nan 8.270 nan 0.000 0.567 738 A N -1.177 121.637 122.820 -0.010 0.000 2.568 738 A HA 0.596 4.915 4.320 -0.002 0.000 0.287 738 A C 0.045 177.611 177.584 -0.031 0.000 0.967 738 A CA 0.173 52.198 52.037 -0.021 0.000 1.004 738 A CB 0.510 19.505 19.000 -0.008 0.000 1.233 738 A HN 0.172 nan 8.150 nan 0.000 0.513 739 A N -0.814 121.985 122.820 -0.035 0.000 2.437 739 A HA 0.719 5.038 4.320 -0.002 0.000 0.292 739 A C -0.115 177.437 177.584 -0.053 0.000 1.173 739 A CA -0.274 51.737 52.037 -0.043 0.000 0.785 739 A CB 0.870 19.847 19.000 -0.037 0.000 1.351 739 A HN 0.024 nan 8.150 nan 0.000 0.431 740 D N -0.374 119.990 120.400 -0.060 0.000 2.566 740 D HA 0.161 4.800 4.640 -0.002 0.000 0.253 740 D C 0.427 176.684 176.300 -0.071 0.000 0.992 740 D CA 0.988 54.947 54.000 -0.070 0.000 0.940 740 D CB 0.092 40.849 40.800 -0.072 0.000 1.095 740 D HN 0.491 nan 8.370 nan 0.000 0.480 741 M N 0.548 120.106 119.600 -0.070 0.000 2.471 741 M HA 0.417 4.896 4.480 -0.002 0.000 0.309 741 M C -0.613 175.650 176.300 -0.061 0.000 1.186 741 M CA -0.145 55.112 55.300 -0.071 0.000 1.008 741 M CB 2.379 34.930 32.600 -0.081 0.000 1.551 741 M HN -0.213 nan 8.290 nan 0.000 0.477 742 I N 3.515 124.052 120.570 -0.056 0.000 2.714 742 I HA 0.151 4.320 4.170 -0.002 0.000 0.274 742 I C -0.870 175.222 176.117 -0.041 0.000 1.261 742 I CA -0.331 60.943 61.300 -0.044 0.000 1.008 742 I CB 0.890 38.867 38.000 -0.039 0.000 1.289 742 I HN 0.546 nan 8.210 nan 0.000 0.529 743 L N 5.625 126.823 121.223 -0.043 0.000 2.827 743 L HA -0.038 4.301 4.340 -0.002 0.000 0.293 743 L C 1.613 178.470 176.870 -0.022 0.000 1.156 743 L CA 0.315 55.132 54.840 -0.038 0.000 1.145 743 L CB -0.263 41.774 42.059 -0.036 0.000 1.474 743 L HN 0.679 nan 8.230 nan 0.000 0.442 744 L N 1.958 123.167 121.223 -0.024 0.000 2.189 744 L HA -0.217 4.122 4.340 -0.002 0.000 0.214 744 L C 1.623 178.487 176.870 -0.011 0.000 1.097 744 L CA 1.471 56.300 54.840 -0.018 0.000 0.764 744 L CB -0.430 41.617 42.059 -0.021 0.000 0.900 744 L HN 0.747 nan 8.230 nan 0.000 0.436 745 D N -3.155 117.239 120.400 -0.009 0.000 2.388 745 D HA -0.013 4.626 4.640 -0.002 0.000 0.221 745 D C 0.445 176.751 176.300 0.009 0.000 1.133 745 D CA -0.183 53.816 54.000 -0.002 0.000 0.831 745 D CB -0.038 40.760 40.800 -0.004 0.000 0.962 745 D HN 0.001 nan 8.370 nan 0.000 0.502 746 D N 0.137 120.545 120.400 0.014 0.000 3.070 746 D HA -0.254 4.385 4.640 -0.002 0.000 0.220 746 D C -0.323 176.014 176.300 0.063 0.000 1.176 746 D CA 0.695 54.717 54.000 0.037 0.000 0.924 746 D CB -1.931 38.888 40.800 0.032 0.000 1.124 746 D HN 0.638 nan 8.370 nan 0.000 0.411 747 N N -0.097 118.629 118.700 0.043 0.000 2.416 747 N HA 0.074 4.813 4.740 -0.002 0.000 0.265 747 N C 0.515 176.074 175.510 0.082 0.000 1.195 747 N CA -0.218 52.868 53.050 0.060 0.000 0.943 747 N CB 0.012 38.514 38.487 0.026 0.000 1.115 747 N HN 0.047 nan 8.380 nan 0.000 0.481 748 F N 3.945 123.884 119.950 -0.019 0.000 2.695 748 F HA 0.289 4.815 4.527 -0.002 0.000 0.301 748 F C 1.285 177.074 175.800 -0.019 0.000 1.182 748 F CA -0.157 57.831 58.000 -0.020 0.000 1.412 748 F CB 0.114 39.103 39.000 -0.019 0.000 1.056 748 F HN 0.616 nan 8.300 nan 0.000 0.522 749 A N -1.414 121.431 122.820 0.042 0.000 2.140 749 A HA 0.076 4.395 4.320 -0.002 0.000 0.209 749 A C 2.114 179.655 177.584 -0.072 0.000 1.181 749 A CA 0.585 52.624 52.037 0.004 0.000 0.824 749 A CB -0.441 18.577 19.000 0.030 0.000 0.879 749 A HN 0.209 nan 8.150 nan 0.000 0.480 750 S N 0.191 115.835 115.700 -0.093 0.000 2.584 750 S HA -0.055 4.413 4.470 -0.002 0.000 0.240 750 S C 1.371 175.876 174.600 -0.158 0.000 0.975 750 S CA 0.816 58.953 58.200 -0.105 0.000 0.949 750 S CB -0.381 62.765 63.200 -0.089 0.000 0.761 750 S HN 0.456 nan 8.310 nan 0.000 0.536 751 I N 0.054 120.478 120.570 -0.244 0.000 2.584 751 I HA -0.014 4.155 4.170 -0.002 0.000 0.255 751 I C 2.059 178.076 176.117 -0.167 0.000 1.145 751 I CA 0.690 61.826 61.300 -0.273 0.000 1.462 751 I CB -0.245 37.462 38.000 -0.488 0.000 1.102 751 I HN 0.101 nan 8.210 nan 0.000 0.433 752 V N -0.243 119.598 119.914 -0.122 0.000 2.255 752 V HA -0.271 3.848 4.120 -0.002 0.000 0.243 752 V C 2.455 178.512 176.094 -0.061 0.000 1.038 752 V CA 2.293 64.552 62.300 -0.069 0.000 1.008 752 V CB -0.760 31.043 31.823 -0.034 0.000 0.645 752 V HN 0.382 nan 8.190 nan 0.000 0.449 753 T N 0.286 114.806 114.554 -0.058 0.000 2.620 753 T HA -0.254 4.095 4.350 -0.002 0.000 0.267 753 T C 1.765 176.430 174.700 -0.059 0.000 1.044 753 T CA 2.046 64.115 62.100 -0.051 0.000 1.161 753 T CB -0.749 68.090 68.868 -0.050 0.000 0.862 753 T HN 0.651 nan 8.240 nan 0.000 0.438 754 G N -0.117 108.637 108.800 -0.077 0.000 2.408 754 G HA2 -0.134 3.825 3.960 -0.002 0.000 0.217 754 G HA3 -0.134 3.825 3.960 -0.002 0.000 0.217 754 G C 1.635 176.490 174.900 -0.075 0.000 1.150 754 G CA 0.787 45.840 45.100 -0.079 0.000 0.776 754 G HN 0.483 nan 8.290 nan 0.000 0.542 755 V N 0.586 120.452 119.914 -0.081 0.000 3.141 755 V HA 0.027 4.146 4.120 -0.002 0.000 0.265 755 V C 2.337 178.394 176.094 -0.062 0.000 1.126 755 V CA 2.255 64.509 62.300 -0.077 0.000 1.141 755 V CB 0.122 31.898 31.823 -0.080 0.000 0.743 755 V HN 0.695 nan 8.190 nan 0.000 0.492 756 E N -0.858 119.312 120.200 -0.050 0.000 2.065 756 E HA -0.135 4.214 4.350 -0.002 0.000 0.191 756 E C 1.915 178.498 176.600 -0.028 0.000 0.960 756 E CA 0.453 56.832 56.400 -0.035 0.000 0.824 756 E CB -0.315 29.369 29.700 -0.028 0.000 0.793 756 E HN 0.474 nan 8.360 nan 0.000 0.459 757 E N 0.321 120.502 120.200 -0.033 0.000 2.284 757 E HA -0.172 4.177 4.350 -0.002 0.000 0.200 757 E C 1.719 178.305 176.600 -0.023 0.000 1.008 757 E CA 1.270 57.652 56.400 -0.030 0.000 0.829 757 E CB -0.187 29.489 29.700 -0.040 0.000 0.744 757 E HN 0.510 nan 8.360 nan 0.000 0.491 758 G N -0.230 108.553 108.800 -0.029 0.000 2.887 758 G HA2 -0.068 3.891 3.960 -0.002 0.000 0.211 758 G HA3 -0.068 3.891 3.960 -0.002 0.000 0.211 758 G C 1.543 176.437 174.900 -0.010 0.000 1.152 758 G CA -0.334 44.752 45.100 -0.023 0.000 0.769 758 G HN 0.091 nan 8.290 nan 0.000 0.541 759 R N -0.444 120.049 120.500 -0.012 0.000 2.210 759 R HA 0.270 4.609 4.340 -0.002 0.000 0.203 759 R C 2.165 178.518 176.300 0.089 0.000 1.010 759 R CA 0.191 56.296 56.100 0.007 0.000 1.008 759 R CB -0.047 30.242 30.300 -0.018 0.000 0.923 759 R HN 0.410 nan 8.270 nan 0.000 0.469 760 L N 0.182 121.442 121.223 0.062 0.000 2.168 760 L HA 0.033 4.372 4.340 -0.002 0.000 0.203 760 L C 1.954 178.870 176.870 0.077 0.000 1.078 760 L CA 0.751 55.628 54.840 0.062 0.000 0.780 760 L CB -0.071 42.002 42.059 0.024 0.000 0.939 760 L HN -0.025 nan 8.230 nan 0.000 0.451 761 I N -0.139 120.472 120.570 0.069 0.000 2.530 761 I HA -0.260 3.909 4.170 -0.002 0.000 0.257 761 I C 1.918 178.116 176.117 0.136 0.000 1.179 761 I CA 1.253 62.594 61.300 0.068 0.000 1.440 761 I CB -0.521 37.506 38.000 0.046 0.000 1.087 761 I HN 0.298 nan 8.210 nan 0.000 0.440 762 F N 1.153 121.101 119.950 -0.003 0.000 2.053 762 F HA -0.159 4.367 4.527 -0.001 0.000 0.292 762 F C 2.294 178.113 175.800 0.032 0.000 1.125 762 F CA 1.826 59.831 58.000 0.009 0.000 1.193 762 F CB -0.702 38.297 39.000 -0.002 0.000 0.996 762 F HN 0.082 nan 8.300 nan 0.000 0.470 763 D N 0.245 120.738 120.400 0.155 0.000 2.127 763 D HA -0.240 4.399 4.640 -0.002 0.000 0.190 763 D C 1.622 177.941 176.300 0.032 0.000 1.000 763 D CA 1.812 55.857 54.000 0.076 0.000 0.839 763 D CB -0.728 40.129 40.800 0.095 0.000 0.955 763 D HN 0.202 nan 8.370 nan 0.000 0.446 764 N N -0.155 118.567 118.700 0.037 0.000 2.609 764 N HA -0.027 4.712 4.740 -0.002 0.000 0.190 764 N C 1.365 176.881 175.510 0.011 0.000 1.157 764 N CA 0.146 53.210 53.050 0.024 0.000 0.918 764 N CB 0.038 38.537 38.487 0.019 0.000 0.978 764 N HN 0.293 nan 8.380 nan 0.000 0.448 765 L N -0.282 120.930 121.223 -0.019 0.000 2.470 765 L HA 0.118 4.457 4.340 -0.002 0.000 0.219 765 L C 1.825 178.657 176.870 -0.063 0.000 1.071 765 L CA 0.390 55.208 54.840 -0.037 0.000 0.850 765 L CB 0.128 42.148 42.059 -0.064 0.000 1.040 765 L HN 0.078 nan 8.230 nan 0.000 0.475 766 K N 0.656 121.001 120.400 -0.092 0.000 1.984 766 K HA -0.166 4.153 4.320 -0.002 0.000 0.209 766 K C 2.014 178.644 176.600 0.050 0.000 1.046 766 K CA 1.310 57.565 56.287 -0.052 0.000 0.934 766 K CB -0.009 32.512 32.500 0.034 0.000 0.717 766 K HN 0.184 nan 8.250 nan 0.000 0.438 767 K N 0.684 121.150 120.400 0.110 0.000 2.001 767 K HA -0.183 4.136 4.320 -0.002 0.000 0.214 767 K C 2.385 179.036 176.600 0.085 0.000 1.050 767 K CA 1.793 58.151 56.287 0.119 0.000 0.934 767 K CB -0.429 32.110 32.500 0.066 0.000 0.718 767 K HN 0.007 nan 8.250 nan 0.000 0.443 768 S N 0.537 116.268 115.700 0.052 0.000 2.402 768 S HA -0.142 4.327 4.470 -0.002 0.000 0.233 768 S C 1.859 176.505 174.600 0.077 0.000 1.030 768 S CA 1.059 59.299 58.200 0.067 0.000 1.003 768 S CB -0.170 63.060 63.200 0.051 0.000 0.813 768 S HN 0.211 nan 8.310 nan 0.000 0.477 769 I N 0.706 121.282 120.570 0.010 0.000 2.260 769 I HA -0.035 4.134 4.170 -0.002 0.000 0.237 769 I C 2.650 178.713 176.117 -0.089 0.000 1.075 769 I CA 0.772 62.031 61.300 -0.067 0.000 1.376 769 I CB -0.692 37.220 38.000 -0.147 0.000 1.107 769 I HN 0.355 nan 8.210 nan 0.000 0.420 770 A N 0.810 123.563 122.820 -0.111 0.000 1.883 770 A HA -0.408 3.911 4.320 -0.002 0.000 0.222 770 A C 2.268 179.848 177.584 -0.006 0.000 1.339 770 A CA 2.714 54.691 52.037 -0.100 0.000 0.692 770 A CB -1.790 17.203 19.000 -0.011 0.000 0.845 770 A HN 0.612 nan 8.150 nan 0.000 0.467 771 Y N 1.046 121.326 120.300 -0.033 0.000 2.181 771 Y HA -0.271 4.278 4.550 -0.002 0.000 0.284 771 Y C 2.602 178.481 175.900 -0.035 0.000 1.179 771 Y CA 2.609 60.697 58.100 -0.020 0.000 1.179 771 Y CB -0.776 37.684 38.460 -0.001 0.000 0.973 771 Y HN 0.367 nan 8.280 nan 0.000 0.519 772 T N 1.418 115.949 114.554 -0.037 0.000 2.612 772 T HA -0.184 4.165 4.350 -0.002 0.000 0.259 772 T C 2.003 176.589 174.700 -0.191 0.000 1.065 772 T CA 1.764 63.774 62.100 -0.150 0.000 1.167 772 T CB -0.703 68.138 68.868 -0.045 0.000 0.863 772 T HN 0.324 nan 8.240 nan 0.000 0.407 773 L N 1.297 122.420 121.223 -0.167 0.000 2.051 773 L HA -0.204 4.135 4.340 -0.002 0.000 0.214 773 L C 2.931 179.769 176.870 -0.052 0.000 1.076 773 L CA 1.907 56.657 54.840 -0.149 0.000 0.758 773 L CB -1.604 40.272 42.059 -0.306 0.000 0.890 773 L HN 0.519 nan 8.230 nan 0.000 0.433 774 T N -1.843 112.655 114.554 -0.094 0.000 2.699 774 T HA -0.213 4.135 4.350 -0.002 0.000 0.268 774 T C 1.847 176.498 174.700 -0.081 0.000 1.036 774 T CA 1.613 63.685 62.100 -0.048 0.000 1.147 774 T CB -0.656 68.176 68.868 -0.060 0.000 0.862 774 T HN 0.523 nan 8.240 nan 0.000 0.446 775 S N 1.260 116.850 115.700 -0.182 0.000 2.607 775 S HA 0.058 4.527 4.470 -0.002 0.000 0.224 775 S C 1.725 176.226 174.600 -0.165 0.000 0.969 775 S CA 0.322 58.401 58.200 -0.200 0.000 0.927 775 S CB -0.559 62.462 63.200 -0.298 0.000 0.772 775 S HN 0.328 nan 8.310 nan 0.000 0.533 776 N N 1.556 120.187 118.700 -0.115 0.000 2.270 776 N HA 0.112 4.851 4.740 -0.002 0.000 0.181 776 N C 1.325 176.708 175.510 -0.212 0.000 1.016 776 N CA 0.731 53.703 53.050 -0.130 0.000 0.870 776 N CB -0.304 38.172 38.487 -0.018 0.000 0.979 776 N HN 0.284 nan 8.380 nan 0.000 0.431 777 I N 1.449 121.892 120.570 -0.211 0.000 2.179 777 I HA -0.108 4.061 4.170 -0.002 0.000 0.242 777 I C -1.288 174.680 176.117 -0.248 0.000 1.088 777 I CA 0.833 61.959 61.300 -0.289 0.000 1.357 777 I CB -1.988 35.868 38.000 -0.239 0.000 1.051 777 I HN 0.078 nan 8.210 nan 0.000 0.409 778 P HA 0.042 nan 4.420 nan 0.000 0.249 778 P C 0.308 177.453 177.300 -0.258 0.000 1.686 778 P CA 0.801 63.783 63.100 -0.196 0.000 0.873 778 P CB -0.190 31.458 31.700 -0.087 0.000 1.828 779 E N -1.008 119.034 120.200 -0.263 0.000 2.661 779 E HA 0.090 4.439 4.350 -0.002 0.000 0.202 779 E C 1.735 178.222 176.600 -0.189 0.000 0.911 779 E CA 0.038 56.287 56.400 -0.253 0.000 1.581 779 E CB 0.062 29.623 29.700 -0.232 0.000 1.667 779 E HN 0.166 nan 8.360 nan 0.000 0.911 780 I N 1.660 122.096 120.570 -0.223 0.000 2.235 780 I HA -0.140 4.029 4.170 -0.002 0.000 0.241 780 I C 2.656 178.707 176.117 -0.111 0.000 1.085 780 I CA 1.618 62.798 61.300 -0.201 0.000 1.378 780 I CB -1.039 36.788 38.000 -0.289 0.000 1.076 780 I HN 0.033 nan 8.210 nan 0.000 0.415 781 T N -0.405 114.048 114.554 -0.168 0.000 2.721 781 T HA -0.108 4.241 4.350 -0.002 0.000 0.268 781 T C -0.524 174.215 174.700 0.065 0.000 1.038 781 T CA 1.122 63.154 62.100 -0.112 0.000 1.145 781 T CB -2.047 66.669 68.868 -0.253 0.000 0.858 781 T HN 0.219 nan 8.240 nan 0.000 0.459 782 P HA -0.059 nan 4.420 nan 0.000 0.210 782 P C 1.201 178.579 177.300 0.130 0.000 1.185 782 P CA 1.004 64.206 63.100 0.170 0.000 0.924 782 P CB -0.398 31.221 31.700 -0.135 0.000 0.786 783 F N -1.299 118.666 119.950 0.025 0.000 2.346 783 F HA -0.170 4.356 4.527 -0.002 0.000 0.301 783 F C 2.303 178.321 175.800 0.365 0.000 1.070 783 F CA 0.980 59.074 58.000 0.156 0.000 1.407 783 F CB -0.683 38.309 39.000 -0.014 0.000 1.072 783 F HN -0.085 nan 8.300 nan 0.000 0.543 784 L N -1.232 120.198 121.223 0.345 0.000 2.162 784 L HA -0.109 4.230 4.340 -0.002 0.000 0.205 784 L C 2.112 179.170 176.870 0.313 0.000 1.086 784 L CA 1.142 56.144 54.840 0.269 0.000 0.778 784 L CB -0.373 41.699 42.059 0.021 0.000 0.928 784 L HN 0.119 nan 8.230 nan 0.000 0.446 785 I N -0.947 119.787 120.570 0.274 0.000 2.716 785 I HA -0.229 3.940 4.170 -0.002 0.000 0.259 785 I C 2.132 178.336 176.117 0.145 0.000 1.172 785 I CA 0.757 62.179 61.300 0.205 0.000 1.478 785 I CB -0.273 37.840 38.000 0.188 0.000 1.104 785 I HN 0.051 nan 8.210 nan 0.000 0.439 786 F N 0.704 120.667 119.950 0.022 0.000 2.271 786 F HA -0.268 4.258 4.527 -0.002 0.000 0.302 786 F C 2.071 177.874 175.800 0.005 0.000 1.063 786 F CA 1.545 59.531 58.000 -0.023 0.000 1.362 786 F CB 0.058 39.024 39.000 -0.056 0.000 1.060 786 F HN -0.012 nan 8.300 nan 0.000 0.521 787 I N -1.001 119.605 120.570 0.060 0.000 2.927 787 I HA -0.138 4.031 4.170 -0.002 0.000 0.268 787 I C 2.164 178.297 176.117 0.027 0.000 1.153 787 I CA 0.388 61.639 61.300 -0.082 0.000 1.459 787 I CB -0.618 37.246 38.000 -0.226 0.000 1.149 787 I HN 0.031 nan 8.210 nan 0.000 0.443 788 I N 1.649 122.262 120.570 0.071 0.000 2.087 788 I HA -0.152 4.017 4.170 -0.002 0.000 0.231 788 I C 1.867 177.995 176.117 0.018 0.000 1.058 788 I CA 1.318 62.654 61.300 0.060 0.000 1.328 788 I CB -1.382 36.685 38.000 0.112 0.000 1.079 788 I HN 0.057 nan 8.210 nan 0.000 0.397 789 A N 0.864 123.686 122.820 0.004 0.000 3.197 789 A HA 0.181 4.500 4.320 -0.002 0.000 0.263 789 A C 0.499 178.033 177.584 -0.083 0.000 1.524 789 A CA -0.290 51.730 52.037 -0.028 0.000 1.176 789 A CB -1.770 17.226 19.000 -0.006 0.000 1.096 789 A HN 0.542 nan 8.150 nan 0.000 0.655 790 N N 0.449 119.079 118.700 -0.116 0.000 2.880 790 N HA -0.181 4.558 4.740 -0.002 0.000 0.278 790 N C -0.050 175.313 175.510 -0.245 0.000 1.003 790 N CA 0.633 53.553 53.050 -0.218 0.000 0.881 790 N CB -0.869 37.493 38.487 -0.208 0.000 0.920 790 N HN 0.704 nan 8.380 nan 0.000 0.598 791 I N 0.313 120.741 120.570 -0.237 0.000 2.834 791 I HA 0.219 4.388 4.170 -0.002 0.000 0.305 791 I C -1.884 174.093 176.117 -0.233 0.000 1.008 791 I CA -2.381 58.815 61.300 -0.173 0.000 1.273 791 I CB 1.095 39.036 38.000 -0.098 0.000 1.432 791 I HN -0.052 nan 8.210 nan 0.000 0.557 792 P HA 0.035 nan 4.420 nan 0.000 0.270 792 P C -0.534 176.760 177.300 -0.009 0.000 1.242 792 P CA -0.417 62.413 63.100 -0.449 0.000 0.768 792 P CB 0.245 31.225 31.700 -1.201 0.000 0.820 793 L N 8.229 129.594 121.223 0.236 0.000 2.810 793 L HA -0.049 4.290 4.340 -0.002 0.000 0.279 793 L C -1.595 175.340 176.870 0.109 0.000 1.144 793 L CA -0.369 54.545 54.840 0.123 0.000 0.998 793 L CB -0.652 41.264 42.059 -0.239 0.000 1.342 793 L HN 0.345 nan 8.230 nan 0.000 0.473 794 P HA -0.065 nan 4.420 nan 0.000 0.215 794 P C -0.396 177.073 177.300 0.282 0.000 1.157 794 P CA 0.783 64.051 63.100 0.279 0.000 0.859 794 P CB 0.192 31.919 31.700 0.045 0.000 0.786 795 L N -0.618 120.476 121.223 -0.215 0.000 2.349 795 L HA 0.643 4.982 4.340 -0.002 0.000 0.278 795 L C 0.202 176.707 176.870 -0.608 0.000 0.996 795 L CA -0.696 53.865 54.840 -0.465 0.000 0.825 795 L CB 1.083 42.696 42.059 -0.743 0.000 1.243 795 L HN -0.113 nan 8.230 nan 0.000 0.412 796 G N 2.018 110.282 108.800 -0.893 0.000 2.412 796 G HA2 0.431 4.390 3.960 -0.002 0.000 0.318 796 G HA3 0.431 4.390 3.960 -0.002 0.000 0.318 796 G C 0.527 175.288 174.900 -0.231 0.000 1.146 796 G CA 0.054 44.735 45.100 -0.698 0.000 0.882 796 G HN 0.677 nan 8.290 nan 0.000 0.501 797 T N 1.095 115.649 114.554 -0.000 0.000 2.555 797 T HA -0.219 4.130 4.350 -0.002 0.000 0.264 797 T C 2.492 177.104 174.700 -0.147 0.000 1.083 797 T CA 1.552 63.618 62.100 -0.058 0.000 1.179 797 T CB -0.487 68.331 68.868 -0.082 0.000 0.863 797 T HN 0.180 nan 8.240 nan 0.000 0.412 798 V N 1.137 120.956 119.914 -0.160 0.000 2.660 798 V HA -0.218 3.901 4.120 -0.002 0.000 0.257 798 V C 2.655 178.644 176.094 -0.175 0.000 1.088 798 V CA 2.068 64.268 62.300 -0.166 0.000 1.106 798 V CB -0.840 30.876 31.823 -0.178 0.000 0.686 798 V HN 0.620 nan 8.190 nan 0.000 0.481 799 T N -0.741 113.691 114.554 -0.203 0.000 2.904 799 T HA -0.003 4.346 4.350 -0.002 0.000 0.267 799 T C 1.698 176.354 174.700 -0.074 0.000 1.059 799 T CA 1.195 63.189 62.100 -0.176 0.000 1.137 799 T CB -0.108 68.615 68.868 -0.242 0.000 0.879 799 T HN 0.410 nan 8.240 nan 0.000 0.467 800 I N 0.960 121.465 120.570 -0.108 0.000 2.252 800 I HA -0.044 4.125 4.170 -0.002 0.000 0.245 800 I C 1.368 177.438 176.117 -0.078 0.000 1.102 800 I CA 0.962 62.203 61.300 -0.098 0.000 1.385 800 I CB -0.204 37.701 38.000 -0.158 0.000 1.064 800 I HN 0.191 nan 8.210 nan 0.000 0.414 801 L N 0.401 121.565 121.223 -0.099 0.000 2.962 801 L HA -0.171 4.168 4.340 -0.002 0.000 0.263 801 L C 1.243 178.094 176.870 -0.030 0.000 1.152 801 L CA 0.119 54.910 54.840 -0.082 0.000 0.954 801 L CB -0.962 41.035 42.059 -0.102 0.000 1.213 801 L HN 0.464 nan 8.230 nan 0.000 0.422 802 C N -1.495 117.824 119.300 0.033 0.000 3.580 802 C HA 0.155 4.613 4.460 -0.002 0.000 0.337 802 C C 2.233 177.342 174.990 0.198 0.000 1.412 802 C CA -0.410 58.699 59.018 0.152 0.000 1.797 802 C CB 0.345 28.222 27.740 0.228 0.000 2.470 802 C HN 0.387 nan 8.230 nan 0.000 0.691 803 I N 2.826 123.445 120.570 0.082 0.000 2.201 803 I HA -0.030 4.139 4.170 -0.002 0.000 0.233 803 I C 1.909 178.019 176.117 -0.013 0.000 1.067 803 I CA 2.029 63.325 61.300 -0.005 0.000 1.354 803 I CB -1.357 36.595 38.000 -0.079 0.000 1.108 803 I HN 0.313 nan 8.210 nan 0.000 0.411 804 D N -0.104 120.272 120.400 -0.041 0.000 2.317 804 D HA -0.080 4.559 4.640 -0.002 0.000 0.211 804 D C 1.779 178.068 176.300 -0.019 0.000 0.966 804 D CA 0.511 54.489 54.000 -0.037 0.000 0.876 804 D CB -0.181 40.578 40.800 -0.069 0.000 0.927 804 D HN 0.148 nan 8.370 nan 0.000 0.519 805 L N -0.267 120.945 121.223 -0.018 0.000 2.463 805 L HA 0.389 4.728 4.340 -0.002 0.000 0.219 805 L C 1.849 178.729 176.870 0.016 0.000 1.088 805 L CA 0.579 55.406 54.840 -0.020 0.000 0.849 805 L CB -0.002 42.032 42.059 -0.042 0.000 1.012 805 L HN 0.193 nan 8.230 nan 0.000 0.468 806 G N -1.593 107.238 108.800 0.052 0.000 2.508 806 G HA2 0.013 3.972 3.960 -0.002 0.000 0.217 806 G HA3 0.013 3.972 3.960 -0.002 0.000 0.217 806 G C 1.372 176.332 174.900 0.100 0.000 2.004 806 G CA 0.787 45.940 45.100 0.090 0.000 0.750 806 G HN 0.188 nan 8.290 nan 0.000 0.730 807 T N -0.163 114.462 114.554 0.118 0.000 2.720 807 T HA -0.141 4.208 4.350 -0.002 0.000 0.268 807 T C 1.779 176.548 174.700 0.114 0.000 1.037 807 T CA 2.417 64.577 62.100 0.100 0.000 1.144 807 T CB -0.474 68.414 68.868 0.034 0.000 0.864 807 T HN 0.089 nan 8.240 nan 0.000 0.444 808 D N 0.231 120.692 120.400 0.101 0.000 2.194 808 D HA 0.075 4.714 4.640 -0.002 0.000 0.204 808 D C 2.206 178.630 176.300 0.207 0.000 0.964 808 D CA 0.469 54.575 54.000 0.176 0.000 0.846 808 D CB -0.243 40.587 40.800 0.051 0.000 0.962 808 D HN 0.264 nan 8.370 nan 0.000 0.490 809 M N 0.394 120.068 119.600 0.125 0.000 3.424 809 M HA -0.219 4.260 4.480 -0.002 0.000 0.284 809 M C 2.347 178.730 176.300 0.138 0.000 1.045 809 M CA 1.165 56.533 55.300 0.114 0.000 1.057 809 M CB -1.274 31.375 32.600 0.081 0.000 1.202 809 M HN -0.051 nan 8.290 nan 0.000 0.584 810 V N 0.794 120.789 119.914 0.135 0.000 2.250 810 V HA -0.249 3.870 4.120 -0.002 0.000 0.250 810 V C -0.541 175.623 176.094 0.117 0.000 1.060 810 V CA 2.462 64.853 62.300 0.152 0.000 1.030 810 V CB -2.312 29.625 31.823 0.190 0.000 0.643 810 V HN 0.320 nan 8.190 nan 0.000 0.445 811 P HA -0.122 nan 4.420 nan 0.000 0.219 811 P C 1.528 178.702 177.300 -0.209 0.000 1.146 811 P CA 1.893 64.948 63.100 -0.075 0.000 0.808 811 P CB -0.097 31.554 31.700 -0.082 0.000 0.779 812 A N -0.655 122.150 122.820 -0.026 0.000 1.855 812 A HA -0.113 4.206 4.320 -0.002 0.000 0.213 812 A C 1.987 179.601 177.584 0.050 0.000 1.195 812 A CA 1.065 53.117 52.037 0.025 0.000 0.610 812 A CB -1.563 17.573 19.000 0.226 0.000 0.837 812 A HN 0.009 nan 8.150 nan 0.000 0.444 813 I N 1.103 121.732 120.570 0.098 0.000 2.285 813 I HA -0.299 3.870 4.170 -0.002 0.000 0.253 813 I C 2.757 178.965 176.117 0.152 0.000 1.104 813 I CA 2.020 63.395 61.300 0.125 0.000 1.372 813 I CB -0.366 37.723 38.000 0.149 0.000 1.057 813 I HN 0.475 nan 8.210 nan 0.000 0.431 814 S N -0.390 115.374 115.700 0.107 0.000 2.461 814 S HA -0.044 4.424 4.470 -0.002 0.000 0.228 814 S C 1.900 176.569 174.600 0.114 0.000 1.005 814 S CA 0.420 58.695 58.200 0.124 0.000 0.942 814 S CB -0.186 63.030 63.200 0.026 0.000 0.776 814 S HN 0.270 nan 8.310 nan 0.000 0.514 815 L N 1.915 123.162 121.223 0.039 0.000 2.093 815 L HA 0.184 4.523 4.340 -0.002 0.000 0.208 815 L C 3.104 180.012 176.870 0.063 0.000 1.085 815 L CA 1.554 56.410 54.840 0.026 0.000 0.755 815 L CB -2.255 39.798 42.059 -0.009 0.000 0.904 815 L HN 0.484 nan 8.230 nan 0.000 0.435 816 A N -0.970 121.885 122.820 0.058 0.000 2.104 816 A HA -0.255 4.064 4.320 -0.002 0.000 0.223 816 A C 1.687 179.236 177.584 -0.059 0.000 1.164 816 A CA 1.453 53.483 52.037 -0.012 0.000 0.659 816 A CB -0.990 17.977 19.000 -0.056 0.000 0.808 816 A HN 0.490 nan 8.150 nan 0.000 0.465 817 Y N 0.179 120.470 120.300 -0.014 0.000 2.537 817 Y HA 0.178 4.727 4.550 -0.002 0.000 0.303 817 Y C 0.439 176.325 175.900 -0.023 0.000 1.176 817 Y CA -0.146 57.942 58.100 -0.020 0.000 1.273 817 Y CB 0.333 38.776 38.460 -0.028 0.000 1.110 817 Y HN 0.189 nan 8.280 nan 0.000 0.518 818 E N 1.390 121.642 120.200 0.086 0.000 2.115 818 E HA 0.133 4.482 4.350 -0.002 0.000 0.282 818 E C -0.283 176.334 176.600 0.028 0.000 0.987 818 E CA -0.291 56.138 56.400 0.047 0.000 0.797 818 E CB 0.897 30.611 29.700 0.023 0.000 1.086 818 E HN 0.490 nan 8.360 nan 0.000 0.397 819 Q N 0.634 120.448 119.800 0.023 0.000 2.793 819 Q HA 0.140 4.479 4.340 -0.002 0.000 0.220 819 Q C 0.423 176.428 176.000 0.010 0.000 1.123 819 Q CA 0.073 55.885 55.803 0.014 0.000 1.073 819 Q CB 0.405 29.148 28.738 0.009 0.000 1.315 819 Q HN 0.634 nan 8.270 nan 0.000 0.619 820 A N 0.542 123.368 122.820 0.009 0.000 2.599 820 A HA 0.144 4.463 4.320 -0.002 0.000 0.257 820 A C 0.098 177.687 177.584 0.009 0.000 1.641 820 A CA 0.051 52.096 52.037 0.013 0.000 0.842 820 A CB 0.289 19.298 19.000 0.015 0.000 1.599 820 A HN 0.831 nan 8.150 nan 0.000 0.585 821 E N -1.618 118.591 120.200 0.014 0.000 2.703 821 E HA 0.229 4.578 4.350 -0.002 0.000 0.214 821 E C -0.839 175.771 176.600 0.017 0.000 0.944 821 E CA 0.552 56.958 56.400 0.010 0.000 1.299 821 E CB 0.754 30.458 29.700 0.007 0.000 1.189 821 E HN 0.724 nan 8.360 nan 0.000 0.597 822 S N -0.716 114.995 115.700 0.019 0.000 2.663 822 S HA 0.097 4.566 4.470 -0.002 0.000 0.264 822 S C -1.504 173.104 174.600 0.014 0.000 1.112 822 S CA -1.028 57.183 58.200 0.018 0.000 0.823 822 S CB 0.777 63.992 63.200 0.025 0.000 1.111 822 S HN -0.096 nan 8.310 nan 0.000 0.476 823 D N 1.265 121.671 120.400 0.011 0.000 2.479 823 D HA 0.198 4.837 4.640 -0.002 0.000 0.253 823 D C 1.558 177.861 176.300 0.005 0.000 1.278 823 D CA -0.094 53.910 54.000 0.006 0.000 1.145 823 D CB -0.563 40.240 40.800 0.004 0.000 1.118 823 D HN 0.534 nan 8.370 nan 0.000 0.513 824 I N 0.299 120.873 120.570 0.006 0.000 2.163 824 I HA -0.235 3.934 4.170 -0.002 0.000 0.243 824 I C 1.787 177.900 176.117 -0.008 0.000 1.085 824 I CA 0.694 61.996 61.300 0.004 0.000 1.347 824 I CB -0.403 37.601 38.000 0.007 0.000 1.044 824 I HN 0.203 nan 8.210 nan 0.000 0.408 825 M N 1.615 121.209 119.600 -0.010 0.000 3.224 825 M HA -0.001 4.478 4.480 -0.002 0.000 0.188 825 M C 0.761 177.054 176.300 -0.011 0.000 1.319 825 M CA 0.942 56.233 55.300 -0.015 0.000 1.355 825 M CB -0.928 31.663 32.600 -0.015 0.000 1.588 825 M HN 0.282 nan 8.290 nan 0.000 0.426 826 K N 0.889 121.283 120.400 -0.010 0.000 2.586 826 K HA 0.142 4.461 4.320 -0.002 0.000 0.198 826 K C -0.261 176.333 176.600 -0.010 0.000 1.170 826 K CA -0.160 56.122 56.287 -0.007 0.000 1.069 826 K CB 0.900 33.399 32.500 -0.002 0.000 0.944 826 K HN 0.370 nan 8.250 nan 0.000 0.572 827 R N 0.406 120.896 120.500 -0.016 0.000 2.670 827 R HA 0.423 4.762 4.340 -0.002 0.000 0.289 827 R C -0.620 175.662 176.300 -0.031 0.000 0.965 827 R CA -0.984 55.104 56.100 -0.021 0.000 0.899 827 R CB 0.960 31.248 30.300 -0.021 0.000 1.173 827 R HN -0.144 nan 8.270 nan 0.000 0.456 828 Q N 1.620 121.401 119.800 -0.032 0.000 2.450 828 Q HA 0.064 4.403 4.340 -0.002 0.000 0.294 828 Q C -1.998 173.970 176.000 -0.054 0.000 1.129 828 Q CA -0.929 54.850 55.803 -0.039 0.000 0.970 828 Q CB -0.156 28.559 28.738 -0.038 0.000 1.294 828 Q HN 0.495 nan 8.270 nan 0.000 0.453 829 P HA 0.070 nan 4.420 nan 0.000 0.275 829 P C -0.297 176.944 177.300 -0.099 0.000 1.227 829 P CA -0.279 62.769 63.100 -0.087 0.000 0.781 829 P CB 0.454 32.102 31.700 -0.087 0.000 0.906 830 R N 1.778 122.198 120.500 -0.133 0.000 2.919 830 R HA 0.040 4.379 4.340 -0.002 0.000 0.271 830 R C 0.056 176.283 176.300 -0.123 0.000 0.995 830 R CA 0.045 56.064 56.100 -0.136 0.000 1.158 830 R CB -0.219 29.947 30.300 -0.223 0.000 1.071 830 R HN 0.302 nan 8.270 nan 0.000 0.476 831 N N 0.985 119.626 118.700 -0.098 0.000 2.790 831 N HA 0.220 4.959 4.740 -0.002 0.000 0.256 831 N C -2.183 173.280 175.510 -0.078 0.000 1.409 831 N CA -2.581 50.419 53.050 -0.082 0.000 0.799 831 N CB 1.130 39.578 38.487 -0.064 0.000 1.170 831 N HN 0.345 nan 8.380 nan 0.000 0.507 832 P HA -0.367 nan 4.420 nan 0.000 0.238 832 P C 0.761 178.013 177.300 -0.081 0.000 1.108 832 P CA 2.094 65.142 63.100 -0.086 0.000 0.992 832 P CB 0.309 31.958 31.700 -0.085 0.000 0.748 833 K N -1.722 118.635 120.400 -0.072 0.000 2.021 833 K HA 0.051 4.370 4.320 -0.002 0.000 0.205 833 K C 1.349 177.908 176.600 -0.069 0.000 1.047 833 K CA 1.127 57.372 56.287 -0.070 0.000 0.943 833 K CB -1.221 31.246 32.500 -0.055 0.000 0.725 833 K HN 0.227 nan 8.250 nan 0.000 0.439 834 T N 1.742 116.263 114.554 -0.055 0.000 2.833 834 T HA 0.019 4.368 4.350 -0.002 0.000 0.312 834 T C -0.536 174.140 174.700 -0.040 0.000 1.085 834 T CA -0.569 61.503 62.100 -0.046 0.000 0.955 834 T CB 0.013 68.858 68.868 -0.038 0.000 1.353 834 T HN 0.307 nan 8.240 nan 0.000 0.544 835 D N 0.912 121.296 120.400 -0.026 0.000 3.163 835 D HA -0.145 4.494 4.640 -0.002 0.000 0.207 835 D C -0.052 176.268 176.300 0.033 0.000 1.209 835 D CA 0.581 54.580 54.000 -0.000 0.000 0.905 835 D CB -0.375 40.423 40.800 -0.003 0.000 0.832 835 D HN 0.313 nan 8.370 nan 0.000 0.387 836 K N 0.540 120.945 120.400 0.009 0.000 2.179 836 K HA 0.302 4.621 4.320 -0.002 0.000 0.238 836 K C 1.371 178.009 176.600 0.063 0.000 1.033 836 K CA -0.938 55.353 56.287 0.006 0.000 0.926 836 K CB 0.813 33.226 32.500 -0.145 0.000 1.151 836 K HN 0.153 nan 8.250 nan 0.000 0.492 837 L N 0.716 121.961 121.223 0.037 0.000 1.988 837 L HA -0.022 4.317 4.340 -0.002 0.000 0.207 837 L C 0.382 177.198 176.870 -0.090 0.000 1.071 837 L CA 1.627 56.376 54.840 -0.151 0.000 0.744 837 L CB 0.148 42.105 42.059 -0.171 0.000 0.893 837 L HN 0.228 nan 8.230 nan 0.000 0.433 838 V N 2.624 122.562 119.914 0.039 0.000 2.435 838 V HA 0.443 4.561 4.120 -0.002 0.000 0.290 838 V C -0.471 175.672 176.094 0.082 0.000 1.030 838 V CA -0.486 61.833 62.300 0.033 0.000 0.881 838 V CB 1.230 33.132 31.823 0.132 0.000 0.983 838 V HN 0.715 nan 8.190 nan 0.000 0.445 839 N N 3.452 122.146 118.700 -0.010 0.000 3.039 839 N HA 0.216 4.955 4.740 -0.002 0.000 0.257 839 N C 0.819 176.316 175.510 -0.022 0.000 1.497 839 N CA -0.397 52.669 53.050 0.027 0.000 0.861 839 N CB 1.100 39.605 38.487 0.030 0.000 1.479 839 N HN 0.536 nan 8.380 nan 0.000 0.547 840 E N 0.745 120.948 120.200 0.004 0.000 2.082 840 E HA -0.373 3.976 4.350 -0.002 0.000 0.215 840 E C 0.907 177.495 176.600 -0.019 0.000 1.048 840 E CA 2.163 58.559 56.400 -0.007 0.000 0.869 840 E CB -0.802 28.902 29.700 0.007 0.000 0.773 840 E HN 0.729 nan 8.360 nan 0.000 0.466 841 Q N 0.602 120.399 119.800 -0.006 0.000 2.297 841 Q HA -0.020 4.319 4.340 -0.002 0.000 0.208 841 Q C 2.306 178.327 176.000 0.036 0.000 0.981 841 Q CA 1.455 57.266 55.803 0.014 0.000 0.876 841 Q CB -0.189 28.573 28.738 0.040 0.000 0.921 841 Q HN 0.461 nan 8.270 nan 0.000 0.446 842 L N -0.570 120.616 121.223 -0.061 0.000 2.130 842 L HA -0.056 4.282 4.340 -0.002 0.000 0.200 842 L C 1.853 178.581 176.870 -0.236 0.000 1.075 842 L CA 0.557 55.239 54.840 -0.264 0.000 0.768 842 L CB -0.026 41.674 42.059 -0.598 0.000 0.933 842 L HN 0.129 nan 8.230 nan 0.000 0.451 843 I N 0.165 120.606 120.570 -0.215 0.000 2.194 843 I HA -0.296 3.873 4.170 -0.002 0.000 0.246 843 I C 2.694 178.761 176.117 -0.083 0.000 1.093 843 I CA 1.735 62.897 61.300 -0.230 0.000 1.355 843 I CB -1.532 36.341 38.000 -0.213 0.000 1.046 843 I HN 0.396 nan 8.210 nan 0.000 0.413 844 S N -0.476 115.205 115.700 -0.033 0.000 2.512 844 S HA -0.178 4.291 4.470 -0.002 0.000 0.253 844 S C 1.706 176.331 174.600 0.041 0.000 0.984 844 S CA 1.163 59.376 58.200 0.021 0.000 0.962 844 S CB 0.021 63.230 63.200 0.015 0.000 0.747 844 S HN 0.307 nan 8.310 nan 0.000 0.525 845 M N -0.983 118.628 119.600 0.018 0.000 2.724 845 M HA 0.359 4.838 4.480 -0.002 0.000 0.231 845 M C 2.232 178.556 176.300 0.039 0.000 1.568 845 M CA 0.979 56.306 55.300 0.045 0.000 1.153 845 M CB -0.885 31.775 32.600 0.100 0.000 1.345 845 M HN 0.337 nan 8.290 nan 0.000 0.555 846 A N -0.681 122.127 122.820 -0.020 0.000 2.016 846 A HA -0.068 4.251 4.320 -0.002 0.000 0.217 846 A C 1.577 179.269 177.584 0.179 0.000 1.162 846 A CA 1.233 53.271 52.037 0.001 0.000 0.662 846 A CB -0.265 18.652 19.000 -0.138 0.000 0.812 846 A HN 0.408 nan 8.150 nan 0.000 0.450 847 Y N -1.043 119.215 120.300 -0.071 0.000 2.439 847 Y HA 0.222 4.771 4.550 -0.002 0.000 0.281 847 Y C 2.722 178.599 175.900 -0.037 0.000 1.145 847 Y CA 0.173 58.232 58.100 -0.068 0.000 1.252 847 Y CB -1.153 37.261 38.460 -0.077 0.000 1.271 847 Y HN 0.244 nan 8.280 nan 0.000 0.516 848 G N -0.457 108.440 108.800 0.163 0.000 2.448 848 G HA2 -0.118 3.841 3.960 -0.002 0.000 0.219 848 G HA3 -0.118 3.841 3.960 -0.002 0.000 0.219 848 G C 1.156 176.112 174.900 0.093 0.000 1.127 848 G CA 0.881 46.042 45.100 0.101 0.000 0.766 848 G HN 0.379 nan 8.290 nan 0.000 0.552 849 Q N -1.219 118.642 119.800 0.102 0.000 2.489 849 Q HA 0.274 4.613 4.340 -0.002 0.000 0.202 849 Q C 2.005 178.067 176.000 0.104 0.000 0.853 849 Q CA -0.723 55.156 55.803 0.127 0.000 0.539 849 Q CB -0.126 28.714 28.738 0.169 0.000 3.308 849 Q HN 0.098 nan 8.270 nan 0.000 0.362 850 I N 2.184 122.813 120.570 0.097 0.000 2.450 850 I HA -0.277 3.892 4.170 -0.002 0.000 0.260 850 I C 2.023 178.161 176.117 0.036 0.000 1.145 850 I CA 1.942 63.282 61.300 0.067 0.000 1.413 850 I CB -0.997 37.026 38.000 0.038 0.000 1.090 850 I HN 0.590 nan 8.210 nan 0.000 0.445 851 G N -0.962 107.860 108.800 0.036 0.000 2.394 851 G HA2 -0.180 3.779 3.960 -0.002 0.000 0.215 851 G HA3 -0.180 3.779 3.960 -0.002 0.000 0.215 851 G C 1.564 176.442 174.900 -0.036 0.000 1.165 851 G CA 0.446 45.547 45.100 0.002 0.000 0.784 851 G HN 0.141 nan 8.290 nan 0.000 0.535 852 M N 1.202 120.790 119.600 -0.020 0.000 2.065 852 M HA 0.038 4.517 4.480 -0.002 0.000 0.259 852 M C 2.661 178.947 176.300 -0.024 0.000 1.071 852 M CA 0.835 56.112 55.300 -0.037 0.000 1.109 852 M CB -1.322 31.271 32.600 -0.011 0.000 1.313 852 M HN 0.209 nan 8.290 nan 0.000 0.408 853 I N -0.323 120.246 120.570 -0.001 0.000 2.300 853 I HA -0.340 3.829 4.170 -0.002 0.000 0.252 853 I C 2.220 178.363 176.117 0.042 0.000 1.119 853 I CA 1.387 62.680 61.300 -0.011 0.000 1.384 853 I CB -1.149 36.840 38.000 -0.020 0.000 1.062 853 I HN 0.489 nan 8.210 nan 0.000 0.426 854 Q N 0.519 120.329 119.800 0.016 0.000 2.224 854 Q HA -0.090 4.249 4.340 -0.002 0.000 0.203 854 Q C 2.411 178.417 176.000 0.010 0.000 0.970 854 Q CA 1.537 57.347 55.803 0.011 0.000 0.865 854 Q CB 0.040 28.757 28.738 -0.036 0.000 0.922 854 Q HN 0.634 nan 8.270 nan 0.000 0.445 855 A N 0.530 123.328 122.820 -0.038 0.000 1.911 855 A HA -0.003 4.316 4.320 -0.002 0.000 0.212 855 A C 2.001 179.505 177.584 -0.133 0.000 1.189 855 A CA 0.181 52.134 52.037 -0.140 0.000 0.639 855 A CB -0.408 18.417 19.000 -0.291 0.000 0.839 855 A HN 0.222 nan 8.150 nan 0.000 0.449 856 L N -0.278 120.955 121.223 0.015 0.000 2.137 856 L HA -0.230 4.109 4.340 -0.002 0.000 0.213 856 L C 2.517 179.554 176.870 0.279 0.000 1.085 856 L CA 1.564 56.535 54.840 0.218 0.000 0.760 856 L CB -0.880 41.374 42.059 0.325 0.000 0.893 856 L HN 0.537 nan 8.230 nan 0.000 0.434 857 G N -1.100 107.835 108.800 0.225 0.000 2.603 857 G HA2 0.009 3.968 3.960 -0.002 0.000 0.214 857 G HA3 0.009 3.968 3.960 -0.002 0.000 0.214 857 G C 1.514 176.258 174.900 -0.260 0.000 1.140 857 G CA 0.556 45.480 45.100 -0.293 0.000 0.800 857 G HN 0.465 nan 8.290 nan 0.000 0.533 858 G N 0.164 108.841 108.800 -0.205 0.000 2.426 858 G HA2 0.013 3.972 3.960 -0.002 0.000 0.214 858 G HA3 0.013 3.972 3.960 -0.002 0.000 0.214 858 G C 1.518 175.742 174.900 -1.128 0.000 1.156 858 G CA 0.049 44.834 45.100 -0.525 0.000 0.802 858 G HN 0.402 nan 8.290 nan 0.000 0.534 859 F N -0.146 119.395 119.950 -0.681 0.000 2.084 859 F HA 0.003 4.529 4.527 -0.002 0.000 0.296 859 F C 2.355 177.839 175.800 -0.526 0.000 1.111 859 F CA 0.708 58.300 58.000 -0.681 0.000 1.224 859 F CB -0.273 38.403 39.000 -0.541 0.000 0.991 859 F HN 0.173 nan 8.300 nan 0.000 0.471 860 F N 1.695 121.495 119.950 -0.250 0.000 2.204 860 F HA -0.387 4.139 4.527 -0.002 0.000 0.301 860 F C 2.473 178.207 175.800 -0.110 0.000 1.058 860 F CA 2.071 59.969 58.000 -0.170 0.000 1.313 860 F CB -0.355 38.462 39.000 -0.305 0.000 1.051 860 F HN 0.010 nan 8.300 nan 0.000 0.505 861 T N -2.826 111.732 114.554 0.007 0.000 3.040 861 T HA -0.118 4.231 4.350 -0.002 0.000 0.252 861 T C 1.756 176.369 174.700 -0.146 0.000 1.064 861 T CA 0.639 62.719 62.100 -0.033 0.000 1.110 861 T CB -1.019 67.816 68.868 -0.054 0.000 0.921 861 T HN 0.520 nan 8.240 nan 0.000 0.480 862 Y N 1.329 121.428 120.300 -0.335 0.000 2.207 862 Y HA 0.024 4.573 4.550 -0.002 0.000 0.287 862 Y C 1.659 177.510 175.900 -0.082 0.000 1.156 862 Y CA 0.933 58.880 58.100 -0.255 0.000 1.182 862 Y CB -0.649 37.641 38.460 -0.283 0.000 0.979 862 Y HN 0.184 nan 8.280 nan 0.000 0.521 863 F N -0.776 119.157 119.950 -0.029 0.000 2.365 863 F HA -0.109 4.417 4.527 -0.002 0.000 0.300 863 F C 2.319 177.958 175.800 -0.269 0.000 1.090 863 F CA 0.620 58.521 58.000 -0.165 0.000 1.408 863 F CB -0.925 37.982 39.000 -0.155 0.000 1.060 863 F HN 0.051 nan 8.300 nan 0.000 0.534 864 V N -0.727 119.126 119.914 -0.101 0.000 2.575 864 V HA -0.136 3.983 4.120 -0.002 0.000 0.242 864 V C 2.448 178.492 176.094 -0.082 0.000 1.045 864 V CA 0.543 62.792 62.300 -0.085 0.000 1.065 864 V CB -0.123 31.690 31.823 -0.017 0.000 0.717 864 V HN 0.049 nan 8.190 nan 0.000 0.467 865 I N 0.095 120.465 120.570 -0.334 0.000 2.248 865 I HA -0.265 3.904 4.170 -0.002 0.000 0.248 865 I C 2.239 178.199 176.117 -0.262 0.000 1.107 865 I CA 2.022 63.008 61.300 -0.524 0.000 1.373 865 I CB -0.642 36.972 38.000 -0.644 0.000 1.055 865 I HN 0.287 nan 8.210 nan 0.000 0.418 866 L N -0.273 120.771 121.223 -0.299 0.000 2.127 866 L HA -0.046 4.293 4.340 -0.002 0.000 0.203 866 L C 2.723 179.539 176.870 -0.091 0.000 1.080 866 L CA 1.057 55.722 54.840 -0.291 0.000 0.768 866 L CB -0.625 41.144 42.059 -0.482 0.000 0.924 866 L HN 0.128 nan 8.230 nan 0.000 0.444 867 A N -0.299 122.473 122.820 -0.080 0.000 1.898 867 A HA -0.185 4.134 4.320 -0.002 0.000 0.216 867 A C 2.007 179.624 177.584 0.056 0.000 1.181 867 A CA 1.123 53.140 52.037 -0.033 0.000 0.620 867 A CB -0.426 18.531 19.000 -0.072 0.000 0.819 867 A HN 0.356 nan 8.150 nan 0.000 0.442 868 E N -0.690 119.583 120.200 0.121 0.000 2.510 868 E HA -0.140 4.209 4.350 -0.002 0.000 0.202 868 E C 0.383 177.123 176.600 0.234 0.000 1.072 868 E CA 0.539 57.066 56.400 0.210 0.000 0.883 868 E CB -0.037 29.889 29.700 0.377 0.000 0.818 868 E HN 0.516 nan 8.360 nan 0.000 0.548 869 N N -1.796 117.024 118.700 0.200 0.000 2.160 869 N HA 0.107 4.846 4.740 -0.002 0.000 0.226 869 N C 0.225 175.941 175.510 0.344 0.000 1.256 869 N CA 0.644 53.855 53.050 0.268 0.000 0.890 869 N CB 1.603 40.197 38.487 0.179 0.000 1.116 869 N HN 0.185 nan 8.380 nan 0.000 0.517 870 G N 0.443 109.354 108.800 0.185 0.000 2.698 870 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.200 870 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.200 870 G C -0.494 174.301 174.900 -0.176 0.000 2.083 870 G CA -0.536 44.541 45.100 -0.038 0.000 1.629 870 G HN 0.104 nan 8.290 nan 0.000 0.565 871 F N 4.475 124.244 119.950 -0.301 0.000 2.509 871 F HA 0.355 4.881 4.527 -0.002 0.000 0.335 871 F C 1.569 177.218 175.800 -0.252 0.000 1.264 871 F CA -0.371 57.463 58.000 -0.276 0.000 1.151 871 F CB -0.958 37.895 39.000 -0.244 0.000 1.614 871 F HN 0.188 nan 8.300 nan 0.000 0.675 872 L N 3.801 124.941 121.223 -0.139 0.000 2.653 872 L HA -0.156 4.183 4.340 -0.002 0.000 0.288 872 L C -0.760 176.024 176.870 -0.144 0.000 1.243 872 L CA -0.751 54.010 54.840 -0.133 0.000 0.906 872 L CB 0.378 42.375 42.059 -0.104 0.000 1.154 872 L HN 0.240 nan 8.230 nan 0.000 0.498 873 P HA -0.288 nan 4.420 nan 0.000 0.216 873 P C 1.429 178.549 177.300 -0.300 0.000 1.151 873 P CA 1.686 64.487 63.100 -0.498 0.000 0.953 873 P CB 0.104 31.392 31.700 -0.686 0.000 0.789 874 I N -2.101 118.332 120.570 -0.228 0.000 2.248 874 I HA -0.240 3.929 4.170 -0.002 0.000 0.248 874 I C 2.055 178.060 176.117 -0.187 0.000 1.107 874 I CA 1.554 62.734 61.300 -0.200 0.000 1.373 874 I CB -1.566 36.308 38.000 -0.210 0.000 1.055 874 I HN 0.152 nan 8.210 nan 0.000 0.418 875 H N 0.396 119.398 119.070 -0.113 0.000 2.606 875 H HA 0.112 4.667 4.556 -0.002 0.000 0.283 875 H C 1.664 176.974 175.328 -0.031 0.000 1.084 875 H CA 0.632 56.632 56.048 -0.080 0.000 1.191 875 H CB 0.091 29.783 29.762 -0.117 0.000 1.289 875 H HN 0.381 nan 8.280 nan 0.000 0.628 876 L N -0.459 120.769 121.223 0.008 0.000 2.500 876 L HA 0.086 4.425 4.340 -0.002 0.000 0.219 876 L C 1.176 178.028 176.870 -0.030 0.000 1.057 876 L CA 0.158 55.000 54.840 0.003 0.000 0.854 876 L CB 0.358 42.389 42.059 -0.047 0.000 1.078 876 L HN 0.128 nan 8.230 nan 0.000 0.480 877 L N 1.243 122.431 121.223 -0.058 0.000 2.983 877 L HA 0.065 4.404 4.340 -0.002 0.000 0.244 877 L C 0.978 177.812 176.870 -0.060 0.000 1.465 877 L CA 0.691 55.495 54.840 -0.060 0.000 1.147 877 L CB -1.253 40.765 42.059 -0.069 0.000 1.442 877 L HN 0.407 nan 8.230 nan 0.000 0.452 878 G N -0.916 107.852 108.800 -0.052 0.000 4.044 878 G HA2 -0.093 3.866 3.960 -0.002 0.000 0.189 878 G HA3 -0.093 3.866 3.960 -0.002 0.000 0.189 878 G C 0.880 175.760 174.900 -0.033 0.000 0.838 878 G CA -0.401 44.667 45.100 -0.054 0.000 0.876 878 G HN 0.247 nan 8.290 nan 0.000 0.419 879 L N 1.600 122.835 121.223 0.021 0.000 2.034 879 L HA -0.274 4.064 4.340 -0.002 0.000 0.217 879 L C 3.122 180.065 176.870 0.120 0.000 1.077 879 L CA 2.700 57.619 54.840 0.132 0.000 0.769 879 L CB -0.715 41.509 42.059 0.275 0.000 0.890 879 L HN 0.537 nan 8.230 nan 0.000 0.435 880 R N 1.137 121.623 120.500 -0.024 0.000 2.162 880 R HA -0.220 4.119 4.340 -0.002 0.000 0.245 880 R C 2.024 178.350 176.300 0.044 0.000 1.129 880 R CA 2.669 58.743 56.100 -0.044 0.000 0.940 880 R CB -1.768 28.362 30.300 -0.282 0.000 0.875 880 R HN 0.230 nan 8.270 nan 0.000 0.437 881 V N 0.619 120.505 119.914 -0.047 0.000 2.252 881 V HA -0.341 3.778 4.120 -0.002 0.000 0.255 881 V C 1.896 178.019 176.094 0.048 0.000 1.071 881 V CA 2.402 64.676 62.300 -0.042 0.000 1.050 881 V CB -1.002 30.766 31.823 -0.092 0.000 0.654 881 V HN 0.422 nan 8.190 nan 0.000 0.448 882 N N -1.288 117.462 118.700 0.084 0.000 2.220 882 N HA -0.082 4.657 4.740 -0.002 0.000 0.182 882 N C 1.471 177.088 175.510 0.179 0.000 1.023 882 N CA 1.308 54.426 53.050 0.114 0.000 0.856 882 N CB -0.514 38.031 38.487 0.097 0.000 0.997 882 N HN 0.718 nan 8.380 nan 0.000 0.429 883 W N 2.992 124.294 121.300 0.003 0.000 2.290 883 W HA -0.230 4.429 4.660 -0.002 0.000 0.328 883 W C 0.494 177.014 176.519 0.002 0.000 1.272 883 W CA 1.643 58.975 57.345 -0.021 0.000 1.262 883 W CB -0.707 28.716 29.460 -0.061 0.000 1.151 883 W HN 0.082 nan 8.180 nan 0.000 0.473 884 D N 0.657 121.352 120.400 0.490 0.000 2.403 884 D HA -0.121 4.518 4.640 -0.002 0.000 0.227 884 D C 0.105 176.619 176.300 0.357 0.000 0.995 884 D CA 1.068 55.325 54.000 0.428 0.000 0.928 884 D CB -0.671 40.339 40.800 0.351 0.000 0.887 884 D HN 0.075 nan 8.370 nan 0.000 0.529 885 D N 0.512 121.050 120.400 0.230 0.000 2.348 885 D HA 0.007 4.646 4.640 -0.002 0.000 0.253 885 D C 0.999 177.296 176.300 -0.006 0.000 1.161 885 D CA -0.183 53.865 54.000 0.079 0.000 0.876 885 D CB 0.784 41.634 40.800 0.082 0.000 1.160 885 D HN -0.054 nan 8.370 nan 0.000 0.459 886 R N 2.910 123.076 120.500 -0.557 0.000 2.313 886 R HA 0.038 4.377 4.340 -0.002 0.000 0.199 886 R C 0.769 176.496 176.300 -0.956 0.000 0.958 886 R CA 0.484 55.893 56.100 -1.153 0.000 1.047 886 R CB 0.169 29.450 30.300 -1.699 0.000 0.955 886 R HN 0.575 nan 8.270 nan 0.000 0.481 887 W N -0.668 120.623 121.300 -0.015 0.000 2.893 887 W HA 0.297 4.956 4.660 -0.002 0.000 0.253 887 W C 0.397 176.931 176.519 0.025 0.000 1.171 887 W CA -0.698 56.645 57.345 -0.004 0.000 1.480 887 W CB 0.379 29.834 29.460 -0.007 0.000 0.963 887 W HN -0.172 nan 8.180 nan 0.000 0.637 888 I N 3.164 123.862 120.570 0.214 0.000 2.734 888 I HA -0.105 4.064 4.170 -0.002 0.000 0.301 888 I C 0.864 177.042 176.117 0.101 0.000 1.127 888 I CA 0.606 61.991 61.300 0.141 0.000 2.292 888 I CB -0.790 37.275 38.000 0.108 0.000 1.590 888 I HN 0.186 nan 8.210 nan 0.000 1.053 889 N N 3.216 121.984 118.700 0.114 0.000 2.571 889 N HA -0.070 4.669 4.740 -0.002 0.000 0.189 889 N C -0.004 175.543 175.510 0.060 0.000 1.154 889 N CA 0.574 53.676 53.050 0.086 0.000 0.907 889 N CB 0.215 38.758 38.487 0.094 0.000 0.977 889 N HN 0.636 nan 8.380 nan 0.000 0.449 890 D N 0.305 120.740 120.400 0.057 0.000 2.607 890 D HA 0.134 4.773 4.640 -0.002 0.000 0.318 890 D C -0.592 175.734 176.300 0.045 0.000 1.212 890 D CA -0.287 53.740 54.000 0.045 0.000 0.861 890 D CB 0.480 41.301 40.800 0.036 0.000 1.064 890 D HN -0.256 nan 8.370 nan 0.000 0.500 891 V N 0.665 120.614 119.914 0.058 0.000 2.417 891 V HA 0.159 4.278 4.120 -0.002 0.000 0.291 891 V C 0.618 176.734 176.094 0.037 0.000 1.024 891 V CA -0.819 61.505 62.300 0.040 0.000 0.861 891 V CB 2.111 33.943 31.823 0.016 0.000 0.985 891 V HN 0.278 nan 8.190 nan 0.000 0.436 892 E N 3.479 123.671 120.200 -0.013 0.000 2.415 892 E HA 0.013 4.362 4.350 -0.002 0.000 0.263 892 E C -0.200 176.253 176.600 -0.245 0.000 0.995 892 E CA -0.005 56.347 56.400 -0.080 0.000 0.915 892 E CB 1.070 30.723 29.700 -0.077 0.000 0.951 892 E HN 0.874 nan 8.360 nan 0.000 0.449 893 D N 1.213 121.376 120.400 -0.395 0.000 2.359 893 D HA -0.005 4.634 4.640 -0.002 0.000 0.284 893 D C 0.543 176.424 176.300 -0.699 0.000 1.176 893 D CA -0.142 53.311 54.000 -0.912 0.000 1.011 893 D CB -0.122 39.986 40.800 -1.153 0.000 1.010 893 D HN 0.188 nan 8.370 nan 0.000 0.333 894 S N -2.081 113.186 115.700 -0.721 0.000 2.749 894 S HA 0.252 4.721 4.470 -0.002 0.000 0.246 894 S C -0.437 173.936 174.600 -0.380 0.000 1.023 894 S CA -0.491 57.289 58.200 -0.701 0.000 1.012 894 S CB 0.004 62.801 63.200 -0.672 0.000 0.942 894 S HN 0.323 nan 8.310 nan 0.000 0.531 895 Y N -0.702 119.462 120.300 -0.226 0.000 2.728 895 Y HA 0.428 4.977 4.550 -0.002 0.000 0.267 895 Y C 1.876 177.705 175.900 -0.117 0.000 1.169 895 Y CA 0.211 58.230 58.100 -0.134 0.000 1.168 895 Y CB 0.101 38.510 38.460 -0.084 0.000 1.370 895 Y HN 0.236 nan 8.280 nan 0.000 0.482 896 G N -0.555 108.277 108.800 0.052 0.000 3.511 896 G HA2 -0.103 3.856 3.960 -0.002 0.000 0.218 896 G HA3 -0.103 3.856 3.960 -0.002 0.000 0.218 896 G C -0.241 174.657 174.900 -0.003 0.000 1.001 896 G CA -0.585 44.513 45.100 -0.003 0.000 0.877 896 G HN 0.133 nan 8.290 nan 0.000 0.450 897 Q N 1.055 120.872 119.800 0.029 0.000 2.348 897 Q HA 0.176 4.515 4.340 -0.002 0.000 0.331 897 Q C -0.380 175.639 176.000 0.031 0.000 1.099 897 Q CA 0.806 56.599 55.803 -0.015 0.000 1.021 897 Q CB 0.188 28.924 28.738 -0.003 0.000 1.166 897 Q HN 0.532 nan 8.270 nan 0.000 0.393 898 Q N 2.273 122.036 119.800 -0.062 0.000 2.348 898 Q HA 0.284 4.623 4.340 -0.002 0.000 0.265 898 Q C -1.308 174.679 176.000 -0.021 0.000 0.998 898 Q CA -0.406 55.415 55.803 0.029 0.000 0.831 898 Q CB 0.932 29.664 28.738 -0.010 0.000 1.251 898 Q HN 0.437 nan 8.270 nan 0.000 0.456 899 W N 1.750 122.999 121.300 -0.085 0.000 2.496 899 W HA 0.304 4.963 4.660 -0.002 0.000 0.327 899 W C 1.075 177.520 176.519 -0.124 0.000 1.086 899 W CA -0.608 56.675 57.345 -0.102 0.000 1.222 899 W CB 0.959 30.352 29.460 -0.111 0.000 1.304 899 W HN 0.591 nan 8.180 nan 0.000 0.547 900 T N -1.460 113.143 114.554 0.081 0.000 3.768 900 T HA 0.069 4.417 4.350 -0.002 0.000 0.372 900 T C 0.545 175.250 174.700 0.008 0.000 1.243 900 T CA 0.584 62.712 62.100 0.046 0.000 0.944 900 T CB -0.054 68.835 68.868 0.036 0.000 1.883 900 T HN 0.432 nan 8.240 nan 0.000 0.541 901 Y N 0.949 121.186 120.300 -0.104 0.000 2.304 901 Y HA 0.201 4.750 4.550 -0.002 0.000 0.265 901 Y C 2.845 178.638 175.900 -0.178 0.000 1.074 901 Y CA 1.210 59.205 58.100 -0.174 0.000 1.102 901 Y CB -0.363 37.999 38.460 -0.162 0.000 1.037 901 Y HN 0.545 nan 8.280 nan 0.000 0.484 902 E N 0.701 120.963 120.200 0.103 0.000 2.284 902 E HA -0.299 4.050 4.350 -0.002 0.000 0.200 902 E C 1.908 178.425 176.600 -0.139 0.000 1.008 902 E CA 1.459 57.843 56.400 -0.028 0.000 0.829 902 E CB -0.259 29.478 29.700 0.061 0.000 0.744 902 E HN 0.688 nan 8.360 nan 0.000 0.491 903 Q N -0.008 119.739 119.800 -0.088 0.000 2.046 903 Q HA -0.157 4.182 4.340 -0.002 0.000 0.200 903 Q C 2.345 178.340 176.000 -0.009 0.000 0.975 903 Q CA 1.696 57.481 55.803 -0.030 0.000 0.836 903 Q CB -0.044 28.713 28.738 0.032 0.000 0.896 903 Q HN 0.356 nan 8.270 nan 0.000 0.428 904 R N -0.155 120.233 120.500 -0.187 0.000 2.100 904 R HA 0.043 4.382 4.340 -0.002 0.000 0.220 904 R C 2.089 178.100 176.300 -0.483 0.000 1.091 904 R CA 0.430 56.246 56.100 -0.473 0.000 0.986 904 R CB -0.206 29.433 30.300 -1.101 0.000 0.888 904 R HN -0.101 nan 8.270 nan 0.000 0.444 905 K N 1.437 121.486 120.400 -0.585 0.000 2.009 905 K HA -0.059 4.260 4.320 -0.002 0.000 0.210 905 K C 2.021 178.148 176.600 -0.787 0.000 1.049 905 K CA 1.139 57.006 56.287 -0.701 0.000 0.929 905 K CB -0.351 31.606 32.500 -0.905 0.000 0.714 905 K HN 0.236 nan 8.250 nan 0.000 0.440 906 I N 1.457 121.679 120.570 -0.580 0.000 2.874 906 I HA -0.211 3.958 4.170 -0.002 0.000 0.271 906 I C 1.898 177.820 176.117 -0.326 0.000 1.263 906 I CA 1.037 62.058 61.300 -0.465 0.000 1.443 906 I CB -0.539 37.215 38.000 -0.410 0.000 1.100 906 I HN -0.117 nan 8.210 nan 0.000 0.480 907 V N -0.332 119.412 119.914 -0.284 0.000 3.263 907 V HA -0.059 4.060 4.120 -0.002 0.000 0.248 907 V C 2.294 178.255 176.094 -0.222 0.000 1.145 907 V CA 0.696 62.867 62.300 -0.215 0.000 1.107 907 V CB 0.164 31.840 31.823 -0.244 0.000 0.797 907 V HN 0.317 nan 8.190 nan 0.000 0.467 908 E N 0.698 120.761 120.200 -0.228 0.000 2.031 908 E HA -0.216 4.133 4.350 -0.002 0.000 0.193 908 E C 2.113 178.561 176.600 -0.255 0.000 0.994 908 E CA 1.866 58.138 56.400 -0.214 0.000 0.800 908 E CB -0.143 29.480 29.700 -0.128 0.000 0.752 908 E HN 0.455 nan 8.360 nan 0.000 0.447 909 F N 1.092 120.814 119.950 -0.380 0.000 2.126 909 F HA -0.135 4.391 4.527 -0.002 0.000 0.299 909 F C 2.563 178.300 175.800 -0.105 0.000 1.096 909 F CA 1.347 59.132 58.000 -0.359 0.000 1.255 909 F CB -1.479 37.547 39.000 0.044 0.000 0.997 909 F HN 0.065 nan 8.300 nan 0.000 0.479 910 T N -1.180 113.459 114.554 0.141 0.000 2.946 910 T HA -0.182 4.167 4.350 -0.002 0.000 0.271 910 T C 2.208 176.868 174.700 -0.066 0.000 1.104 910 T CA 1.147 63.278 62.100 0.051 0.000 1.114 910 T CB -0.654 68.199 68.868 -0.025 0.000 0.867 910 T HN 0.347 nan 8.240 nan 0.000 0.513 911 C N 0.152 119.401 119.300 -0.086 0.000 2.519 911 C HA 0.092 4.551 4.460 -0.002 0.000 0.281 911 C C 2.356 177.466 174.990 0.200 0.000 1.331 911 C CA -0.196 58.800 59.018 -0.036 0.000 1.725 911 C CB -0.875 26.820 27.740 -0.074 0.000 2.079 911 C HN 0.709 nan 8.230 nan 0.000 0.496 912 H N 0.182 119.346 119.070 0.157 0.000 2.355 912 H HA -0.200 4.355 4.556 -0.002 0.000 0.293 912 H C 2.233 177.643 175.328 0.136 0.000 1.060 912 H CA 1.788 57.920 56.048 0.139 0.000 1.167 912 H CB -0.865 28.922 29.762 0.042 0.000 1.376 912 H HN 0.279 nan 8.280 nan 0.000 0.549 913 T N 0.769 115.447 114.554 0.206 0.000 2.873 913 T HA -0.160 4.189 4.350 -0.002 0.000 0.258 913 T C -1.276 173.495 174.700 0.118 0.000 1.024 913 T CA 2.024 64.186 62.100 0.102 0.000 1.165 913 T CB -0.778 68.120 68.868 0.051 0.000 0.827 913 T HN 0.456 nan 8.240 nan 0.000 0.495 914 P HA 0.371 nan 4.420 nan 0.000 0.315 914 P C 0.656 177.957 177.300 0.001 0.000 1.452 914 P CA -0.369 62.692 63.100 -0.066 0.000 1.277 914 P CB 0.018 31.575 31.700 -0.239 0.000 1.615 915 F N -0.122 119.832 119.950 0.007 0.000 2.118 915 F HA -0.035 4.491 4.527 -0.002 0.000 0.293 915 F C 1.907 177.698 175.800 -0.015 0.000 1.102 915 F CA 0.590 58.596 58.000 0.010 0.000 1.247 915 F CB -0.179 38.861 39.000 0.068 0.000 1.017 915 F HN -0.192 nan 8.300 nan 0.000 0.475 916 F N 0.151 120.202 119.950 0.167 0.000 2.354 916 F HA -0.234 4.292 4.527 -0.002 0.000 0.300 916 F C 1.226 176.999 175.800 -0.045 0.000 1.052 916 F CA 1.096 59.108 58.000 0.019 0.000 1.425 916 F CB -0.380 38.616 39.000 -0.005 0.000 1.095 916 F HN -0.134 nan 8.300 nan 0.000 0.560 917 V N -0.471 119.352 119.914 -0.151 0.000 2.721 917 V HA -0.156 3.963 4.120 -0.002 0.000 0.236 917 V C 2.397 178.300 176.094 -0.317 0.000 1.116 917 V CA 1.463 63.535 62.300 -0.380 0.000 1.148 917 V CB -0.214 31.242 31.823 -0.611 0.000 0.886 917 V HN 0.432 nan 8.190 nan 0.000 0.490 918 T N -0.546 113.877 114.554 -0.218 0.000 2.836 918 T HA -0.243 4.106 4.350 -0.002 0.000 0.268 918 T C 1.818 176.397 174.700 -0.202 0.000 1.080 918 T CA 1.580 63.562 62.100 -0.198 0.000 1.128 918 T CB -0.400 68.364 68.868 -0.174 0.000 0.839 918 T HN 0.184 nan 8.240 nan 0.000 0.507 919 I N 0.749 121.226 120.570 -0.154 0.000 2.233 919 I HA -0.012 4.157 4.170 -0.002 0.000 0.243 919 I C 2.655 178.601 176.117 -0.286 0.000 1.093 919 I CA 0.454 61.650 61.300 -0.174 0.000 1.380 919 I CB -1.015 36.908 38.000 -0.129 0.000 1.067 919 I HN 0.180 nan 8.210 nan 0.000 0.413 920 V N 0.364 120.054 119.914 -0.374 0.000 2.490 920 V HA -0.207 3.912 4.120 -0.002 0.000 0.250 920 V C 2.517 178.251 176.094 -0.600 0.000 1.061 920 V CA 1.143 63.239 62.300 -0.340 0.000 1.064 920 V CB -0.158 31.491 31.823 -0.291 0.000 0.670 920 V HN 0.192 nan 8.190 nan 0.000 0.461 921 V N 0.330 119.783 119.914 -0.768 0.000 2.453 921 V HA -0.146 3.973 4.120 -0.002 0.000 0.247 921 V C 2.479 177.923 176.094 -1.085 0.000 1.048 921 V CA 1.803 63.216 62.300 -1.478 0.000 1.049 921 V CB -0.205 31.047 31.823 -0.953 0.000 0.672 921 V HN 0.567 nan 8.190 nan 0.000 0.457 922 V N -2.082 117.517 119.914 -0.525 0.000 2.515 922 V HA -0.197 3.922 4.120 -0.002 0.000 0.250 922 V C 2.215 178.215 176.094 -0.156 0.000 1.058 922 V CA 1.498 63.639 62.300 -0.265 0.000 1.064 922 V CB -0.884 30.859 31.823 -0.134 0.000 0.675 922 V HN 0.436 nan 8.190 nan 0.000 0.461 923 Q N -0.603 119.097 119.800 -0.165 0.000 2.439 923 Q HA -0.129 4.210 4.340 -0.002 0.000 0.211 923 Q C 1.856 178.045 176.000 0.314 0.000 0.978 923 Q CA 1.443 57.285 55.803 0.064 0.000 0.897 923 Q CB -0.251 28.518 28.738 0.052 0.000 0.956 923 Q HN 0.888 nan 8.270 nan 0.000 0.483 924 W N 0.952 122.281 121.300 0.048 0.000 2.348 924 W HA -0.049 4.609 4.660 -0.002 0.000 0.324 924 W C 2.461 179.000 176.519 0.033 0.000 1.209 924 W CA 0.718 58.076 57.345 0.021 0.000 1.275 924 W CB -1.595 27.838 29.460 -0.045 0.000 1.175 924 W HN 0.139 nan 8.180 nan 0.000 0.461 925 A N 0.192 123.182 122.820 0.283 0.000 1.997 925 A HA -0.292 4.027 4.320 -0.002 0.000 0.221 925 A C 1.827 179.469 177.584 0.096 0.000 1.172 925 A CA 2.610 54.758 52.037 0.185 0.000 0.645 925 A CB -0.967 18.139 19.000 0.175 0.000 0.813 925 A HN 0.315 nan 8.150 nan 0.000 0.454 926 D N -0.778 119.706 120.400 0.141 0.000 2.107 926 D HA -0.087 4.552 4.640 -0.002 0.000 0.204 926 D C 1.707 178.137 176.300 0.216 0.000 0.978 926 D CA 1.120 55.218 54.000 0.164 0.000 0.852 926 D CB -0.355 40.550 40.800 0.175 0.000 1.008 926 D HN 0.228 nan 8.370 nan 0.000 0.458 927 L N 0.055 121.456 121.223 0.297 0.000 2.556 927 L HA -0.078 4.261 4.340 -0.002 0.000 0.230 927 L C 1.359 178.189 176.870 -0.067 0.000 1.163 927 L CA 1.167 55.988 54.840 -0.032 0.000 0.819 927 L CB 0.042 41.998 42.059 -0.171 0.000 0.939 927 L HN 0.011 nan 8.230 nan 0.000 0.452 928 V N -0.806 119.088 119.914 -0.033 0.000 3.605 928 V HA 0.079 4.197 4.120 -0.002 0.000 0.284 928 V C 1.398 177.379 176.094 -0.188 0.000 1.386 928 V CA 0.867 63.099 62.300 -0.114 0.000 1.053 928 V CB 0.287 32.047 31.823 -0.106 0.000 0.857 928 V HN 0.522 nan 8.190 nan 0.000 0.436 929 I N -4.608 115.873 120.570 -0.148 0.000 4.227 929 I HA 0.257 4.426 4.170 -0.002 0.000 0.334 929 I C 1.266 177.325 176.117 -0.096 0.000 1.341 929 I CA 0.441 61.634 61.300 -0.177 0.000 1.123 929 I CB -0.425 37.438 38.000 -0.229 0.000 1.097 929 I HN -0.039 nan 8.210 nan 0.000 0.399 930 C N 1.217 120.504 119.300 -0.021 0.000 2.480 930 C HA 0.239 4.698 4.460 -0.002 0.000 0.317 930 C C 2.202 177.182 174.990 -0.017 0.000 1.300 930 C CA 0.156 59.195 59.018 0.035 0.000 1.706 930 C CB -1.732 26.094 27.740 0.143 0.000 1.840 930 C HN 0.508 nan 8.230 nan 0.000 0.596 931 K N 0.170 120.527 120.400 -0.071 0.000 2.190 931 K HA 0.033 4.352 4.320 -0.002 0.000 0.202 931 K C 1.023 177.576 176.600 -0.078 0.000 1.045 931 K CA 0.854 57.094 56.287 -0.078 0.000 0.976 931 K CB 0.290 32.727 32.500 -0.103 0.000 0.849 931 K HN 0.417 nan 8.250 nan 0.000 0.468 932 T N -0.930 113.556 114.554 -0.114 0.000 2.924 932 T HA 0.406 4.755 4.350 -0.002 0.000 0.291 932 T C -0.251 174.334 174.700 -0.193 0.000 1.045 932 T CA -0.832 61.192 62.100 -0.127 0.000 1.015 932 T CB 1.595 70.386 68.868 -0.128 0.000 1.103 932 T HN 0.244 nan 8.240 nan 0.000 0.496 933 R N 1.198 121.563 120.500 -0.226 0.000 2.531 933 R HA 0.487 4.826 4.340 -0.002 0.000 0.316 933 R C 1.600 177.592 176.300 -0.514 0.000 0.955 933 R CA -0.420 55.445 56.100 -0.392 0.000 1.120 933 R CB 0.582 30.662 30.300 -0.366 0.000 1.361 933 R HN 0.462 nan 8.270 nan 0.000 0.534 934 R N -0.351 119.946 120.500 -0.338 0.000 2.851 934 R HA 0.197 4.536 4.340 -0.002 0.000 0.177 934 R C -0.689 175.505 176.300 -0.177 0.000 0.888 934 R CA -0.124 55.780 56.100 -0.327 0.000 1.326 934 R CB 0.631 30.779 30.300 -0.255 0.000 1.668 934 R HN 0.072 nan 8.270 nan 0.000 0.575 935 N N 1.247 119.874 118.700 -0.122 0.000 2.488 935 N HA 0.031 4.770 4.740 -0.002 0.000 0.274 935 N C -0.513 174.965 175.510 -0.052 0.000 1.111 935 N CA 0.209 53.220 53.050 -0.065 0.000 0.974 935 N CB 1.662 40.124 38.487 -0.042 0.000 1.089 935 N HN 0.044 nan 8.380 nan 0.000 0.465 936 S N 0.816 116.519 115.700 0.005 0.000 2.560 936 S HA -0.011 4.458 4.470 -0.002 0.000 0.276 936 S C 1.440 176.075 174.600 0.059 0.000 1.350 936 S CA -0.612 57.637 58.200 0.083 0.000 1.024 936 S CB 0.373 63.691 63.200 0.195 0.000 0.864 936 S HN 0.303 nan 8.310 nan 0.000 0.536 937 V N 4.537 124.461 119.914 0.016 0.000 3.141 937 V HA -0.054 4.065 4.120 -0.002 0.000 0.265 937 V C 1.289 177.230 176.094 -0.255 0.000 1.126 937 V CA 1.505 63.695 62.300 -0.184 0.000 1.141 937 V CB -1.045 30.573 31.823 -0.342 0.000 0.743 937 V HN 0.854 nan 8.190 nan 0.000 0.492 938 F N -0.662 119.298 119.950 0.016 0.000 2.743 938 F HA 0.064 4.590 4.527 -0.002 0.000 0.297 938 F C 2.317 178.120 175.800 0.006 0.000 1.131 938 F CA 0.439 58.452 58.000 0.022 0.000 1.426 938 F CB -0.111 38.910 39.000 0.036 0.000 1.116 938 F HN 0.134 nan 8.300 nan 0.000 0.583 939 Q N -0.239 119.656 119.800 0.158 0.000 2.204 939 Q HA -0.123 4.216 4.340 -0.002 0.000 0.198 939 Q C 1.888 177.907 176.000 0.031 0.000 0.946 939 Q CA 0.955 56.806 55.803 0.081 0.000 0.859 939 Q CB 0.007 28.780 28.738 0.058 0.000 0.946 939 Q HN 0.385 nan 8.270 nan 0.000 0.474 940 Q N -0.333 119.467 119.800 0.000 0.000 2.392 940 Q HA 0.167 4.506 4.340 -0.002 0.000 0.219 940 Q C 0.423 176.397 176.000 -0.042 0.000 0.895 940 Q CA 0.762 56.550 55.803 -0.025 0.000 0.929 940 Q CB 0.720 29.433 28.738 -0.042 0.000 1.077 940 Q HN 0.285 nan 8.270 nan 0.000 0.532 941 G N 0.915 109.674 108.800 -0.069 0.000 2.804 941 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.230 941 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.230 941 G C -0.093 174.749 174.900 -0.096 0.000 1.386 941 G CA 0.016 45.062 45.100 -0.090 0.000 0.875 941 G HN 0.229 nan 8.290 nan 0.000 0.557 942 M N 0.346 119.892 119.600 -0.090 0.000 3.043 942 M HA 0.196 4.675 4.480 -0.002 0.000 0.309 942 M C 1.374 177.634 176.300 -0.067 0.000 1.202 942 M CA -0.098 55.152 55.300 -0.084 0.000 0.869 942 M CB 0.449 32.997 32.600 -0.088 0.000 1.327 942 M HN 0.571 nan 8.290 nan 0.000 0.524 943 K N 0.481 120.848 120.400 -0.055 0.000 2.555 943 K HA 0.007 4.326 4.320 -0.002 0.000 0.193 943 K C 0.714 177.282 176.600 -0.053 0.000 1.032 943 K CA 0.133 56.391 56.287 -0.049 0.000 1.004 943 K CB -0.054 32.425 32.500 -0.035 0.000 0.804 943 K HN 0.266 nan 8.250 nan 0.000 0.496 944 N N 2.440 121.106 118.700 -0.058 0.000 2.671 944 N HA -0.024 4.715 4.740 -0.002 0.000 0.274 944 N C 0.004 175.459 175.510 -0.092 0.000 1.188 944 N CA 0.216 53.228 53.050 -0.063 0.000 1.065 944 N CB 0.375 38.833 38.487 -0.049 0.000 1.415 944 N HN -0.082 nan 8.380 nan 0.000 0.511 945 K N 2.471 122.805 120.400 -0.109 0.000 2.773 945 K HA 0.021 4.340 4.320 -0.002 0.000 0.222 945 K C 0.705 177.208 176.600 -0.162 0.000 0.985 945 K CA 0.100 56.310 56.287 -0.129 0.000 1.126 945 K CB 0.482 32.907 32.500 -0.124 0.000 0.919 945 K HN 0.560 nan 8.250 nan 0.000 0.487 946 I N -0.698 119.772 120.570 -0.167 0.000 4.193 946 I HA -0.055 4.114 4.170 -0.002 0.000 0.287 946 I C 1.706 177.801 176.117 -0.038 0.000 1.175 946 I CA 0.272 61.456 61.300 -0.194 0.000 1.320 946 I CB -0.088 37.627 38.000 -0.474 0.000 1.523 946 I HN 0.065 nan 8.210 nan 0.000 0.450 947 L N 1.722 122.909 121.223 -0.061 0.000 2.042 947 L HA -0.205 4.134 4.340 -0.002 0.000 0.210 947 L C 2.330 179.190 176.870 -0.017 0.000 1.076 947 L CA 1.985 56.804 54.840 -0.035 0.000 0.749 947 L CB -0.305 41.718 42.059 -0.060 0.000 0.893 947 L HN 0.129 nan 8.230 nan 0.000 0.432 948 I N -0.456 120.093 120.570 -0.034 0.000 2.194 948 I HA -0.355 3.814 4.170 -0.002 0.000 0.246 948 I C 2.459 178.567 176.117 -0.015 0.000 1.093 948 I CA 1.986 63.261 61.300 -0.041 0.000 1.355 948 I CB -0.576 37.356 38.000 -0.114 0.000 1.046 948 I HN 0.394 nan 8.210 nan 0.000 0.413 949 F N 1.972 121.831 119.950 -0.152 0.000 2.095 949 F HA -0.170 4.356 4.527 -0.002 0.000 0.298 949 F C 2.370 178.166 175.800 -0.007 0.000 1.104 949 F CA 1.769 59.699 58.000 -0.116 0.000 1.232 949 F CB -0.890 38.028 39.000 -0.137 0.000 0.987 949 F HN 0.012 nan 8.300 nan 0.000 0.475 950 G N 1.332 110.158 108.800 0.043 0.000 2.513 950 G HA2 -0.290 3.669 3.960 -0.002 0.000 0.219 950 G HA3 -0.290 3.669 3.960 -0.002 0.000 0.219 950 G C 1.709 176.548 174.900 -0.101 0.000 1.160 950 G CA 1.448 46.519 45.100 -0.047 0.000 0.767 950 G HN 0.471 nan 8.290 nan 0.000 0.571 951 L N -0.788 120.410 121.223 -0.042 0.000 1.933 951 L HA -0.098 4.241 4.340 -0.002 0.000 0.220 951 L C 2.692 179.525 176.870 -0.062 0.000 1.078 951 L CA 1.514 56.327 54.840 -0.045 0.000 0.773 951 L CB -0.794 41.236 42.059 -0.047 0.000 0.890 951 L HN 0.114 nan 8.230 nan 0.000 0.434 952 F N 0.207 119.974 119.950 -0.304 0.000 2.111 952 F HA -0.302 4.224 4.527 -0.002 0.000 0.300 952 F C 2.659 178.281 175.800 -0.298 0.000 1.088 952 F CA 1.715 59.542 58.000 -0.289 0.000 1.243 952 F CB -0.718 38.130 39.000 -0.253 0.000 0.996 952 F HN 0.237 nan 8.300 nan 0.000 0.483 953 E N 0.514 120.531 120.200 -0.304 0.000 1.992 953 E HA -0.280 4.069 4.350 -0.002 0.000 0.202 953 E C 2.199 178.744 176.600 -0.092 0.000 1.007 953 E CA 1.369 57.578 56.400 -0.319 0.000 0.857 953 E CB -0.585 28.756 29.700 -0.598 0.000 0.796 953 E HN 0.473 nan 8.360 nan 0.000 0.486 954 E N -0.641 119.532 120.200 -0.045 0.000 2.351 954 E HA -0.336 4.013 4.350 -0.002 0.000 0.249 954 E C 1.964 178.658 176.600 0.156 0.000 1.062 954 E CA 3.023 59.474 56.400 0.084 0.000 1.066 954 E CB -0.429 29.358 29.700 0.144 0.000 0.955 954 E HN 0.278 nan 8.360 nan 0.000 0.504 955 T N 0.080 114.748 114.554 0.189 0.000 2.544 955 T HA -0.276 4.073 4.350 -0.002 0.000 0.264 955 T C 1.783 176.620 174.700 0.228 0.000 1.096 955 T CA 2.427 64.698 62.100 0.285 0.000 1.181 955 T CB -0.646 68.284 68.868 0.104 0.000 0.864 955 T HN 0.507 nan 8.240 nan 0.000 0.415 956 A N 1.161 124.024 122.820 0.071 0.000 1.933 956 A HA -0.008 4.311 4.320 -0.002 0.000 0.218 956 A C 2.313 180.002 177.584 0.175 0.000 1.175 956 A CA 1.266 53.343 52.037 0.067 0.000 0.628 956 A CB -0.897 18.101 19.000 -0.003 0.000 0.814 956 A HN 0.529 nan 8.150 nan 0.000 0.444 957 L N -0.544 120.777 121.223 0.162 0.000 1.978 957 L HA -0.286 4.053 4.340 -0.002 0.000 0.218 957 L C 2.872 179.969 176.870 0.379 0.000 1.075 957 L CA 2.160 57.124 54.840 0.207 0.000 0.767 957 L CB -0.832 41.324 42.059 0.161 0.000 0.890 957 L HN 0.456 nan 8.230 nan 0.000 0.434 958 A N -0.120 122.966 122.820 0.444 0.000 1.859 958 A HA -0.312 4.007 4.320 -0.002 0.000 0.218 958 A C 2.476 180.474 177.584 0.690 0.000 1.209 958 A CA 2.671 55.107 52.037 0.665 0.000 0.639 958 A CB -1.262 18.094 19.000 0.594 0.000 0.835 958 A HN 0.650 nan 8.150 nan 0.000 0.450 959 A N -1.036 122.193 122.820 0.682 0.000 1.882 959 A HA -0.273 4.046 4.320 -0.002 0.000 0.220 959 A C 2.145 179.988 177.584 0.432 0.000 1.253 959 A CA 2.273 54.593 52.037 0.472 0.000 0.664 959 A CB -1.213 17.791 19.000 0.007 0.000 0.838 959 A HN 1.041 nan 8.150 nan 0.000 0.460 960 F N -0.235 119.836 119.950 0.202 0.000 2.120 960 F HA -0.182 4.344 4.527 -0.002 0.000 0.300 960 F C 1.720 177.649 175.800 0.215 0.000 1.095 960 F CA 1.895 60.003 58.000 0.180 0.000 1.249 960 F CB -0.179 38.891 39.000 0.117 0.000 0.995 960 F HN 0.204 nan 8.300 nan 0.000 0.480 961 L N -0.308 121.227 121.223 0.519 0.000 2.633 961 L HA -0.035 4.304 4.340 -0.002 0.000 0.235 961 L C 1.814 178.762 176.870 0.130 0.000 1.163 961 L CA 1.528 56.547 54.840 0.299 0.000 0.859 961 L CB -0.723 41.475 42.059 0.231 0.000 0.973 961 L HN 0.304 nan 8.230 nan 0.000 0.451 962 S N -2.825 113.046 115.700 0.285 0.000 2.787 962 S HA 0.153 4.622 4.470 -0.002 0.000 0.255 962 S C 0.790 175.468 174.600 0.130 0.000 1.051 962 S CA -0.234 58.121 58.200 0.259 0.000 1.124 962 S CB 0.003 63.502 63.200 0.499 0.000 1.104 962 S HN 0.395 nan 8.310 nan 0.000 0.623 963 Y N 0.248 120.538 120.300 -0.016 0.000 2.435 963 Y HA 0.443 4.992 4.550 -0.002 0.000 0.270 963 Y C 1.136 176.960 175.900 -0.126 0.000 1.093 963 Y CA -1.216 56.875 58.100 -0.014 0.000 1.226 963 Y CB -0.374 38.108 38.460 0.035 0.000 1.289 963 Y HN 0.367 nan 8.280 nan 0.000 0.529 964 C N 5.079 124.277 119.300 -0.171 0.000 2.596 964 C HA 0.167 4.626 4.460 -0.002 0.000 0.414 964 C C -1.966 172.939 174.990 -0.143 0.000 1.396 964 C CA -1.458 57.377 59.018 -0.304 0.000 1.698 964 C CB -0.199 27.109 27.740 -0.721 0.000 2.572 964 C HN 0.169 nan 8.230 nan 0.000 0.604 965 P HA 0.243 nan 4.420 nan 0.000 0.257 965 P C 0.684 177.960 177.300 -0.041 0.000 1.269 965 P CA 1.476 64.558 63.100 -0.031 0.000 1.122 965 P CB -0.216 31.480 31.700 -0.005 0.000 1.285 966 G N 2.394 111.162 108.800 -0.054 0.000 4.003 966 G HA2 -0.193 3.765 3.960 -0.002 0.000 0.204 966 G HA3 -0.193 3.765 3.960 -0.002 0.000 0.204 966 G C 0.981 175.821 174.900 -0.100 0.000 1.077 966 G CA -0.224 44.842 45.100 -0.056 0.000 0.872 966 G HN 0.230 nan 8.290 nan 0.000 0.350 967 M N 2.139 121.661 119.600 -0.130 0.000 2.337 967 M HA 0.042 4.521 4.480 -0.002 0.000 0.261 967 M C 2.367 178.496 176.300 -0.285 0.000 1.067 967 M CA 1.708 56.908 55.300 -0.168 0.000 1.074 967 M CB -1.758 30.753 32.600 -0.148 0.000 1.395 967 M HN 0.365 nan 8.290 nan 0.000 0.431 968 G N -0.402 108.189 108.800 -0.348 0.000 2.424 968 G HA2 -0.071 3.888 3.960 -0.002 0.000 0.214 968 G HA3 -0.071 3.888 3.960 -0.002 0.000 0.214 968 G C 1.562 176.232 174.900 -0.383 0.000 1.202 968 G CA 0.482 45.154 45.100 -0.714 0.000 0.793 968 G HN 0.360 nan 8.290 nan 0.000 0.534 969 V N 1.098 120.932 119.914 -0.134 0.000 3.141 969 V HA 0.127 4.246 4.120 -0.002 0.000 0.265 969 V C 2.707 178.741 176.094 -0.101 0.000 1.126 969 V CA 1.675 63.951 62.300 -0.041 0.000 1.141 969 V CB 0.130 31.959 31.823 0.010 0.000 0.743 969 V HN 0.508 nan 8.190 nan 0.000 0.492 970 A N -1.405 121.323 122.820 -0.153 0.000 2.013 970 A HA 0.326 4.645 4.320 -0.002 0.000 0.204 970 A C 1.648 179.102 177.584 -0.216 0.000 1.262 970 A CA 0.419 52.354 52.037 -0.170 0.000 0.800 970 A CB 0.251 19.174 19.000 -0.128 0.000 0.909 970 A HN 0.418 nan 8.150 nan 0.000 0.472 971 L N -0.653 120.421 121.223 -0.249 0.000 3.135 971 L HA 0.204 4.543 4.340 -0.002 0.000 0.279 971 L C -0.238 176.426 176.870 -0.343 0.000 1.200 971 L CA -0.256 54.420 54.840 -0.274 0.000 1.016 971 L CB 0.349 42.257 42.059 -0.252 0.000 1.391 971 L HN 0.446 nan 8.230 nan 0.000 0.588 972 R N 0.033 120.289 120.500 -0.406 0.000 3.205 972 R HA -0.166 4.173 4.340 -0.002 0.000 0.249 972 R C -0.592 175.478 176.300 -0.383 0.000 0.937 972 R CA 0.588 56.404 56.100 -0.474 0.000 0.641 972 R CB -2.035 27.731 30.300 -0.890 0.000 1.114 972 R HN 0.201 nan 8.270 nan 0.000 0.451 973 M N 1.656 120.929 119.600 -0.544 0.000 2.085 973 M HA 0.385 4.864 4.480 -0.002 0.000 0.309 973 M C -0.832 175.163 176.300 -0.507 0.000 0.947 973 M CA -0.555 54.507 55.300 -0.397 0.000 0.918 973 M CB 1.331 33.740 32.600 -0.318 0.000 1.504 973 M HN 0.141 nan 8.290 nan 0.000 0.420 974 Y N 2.727 123.013 120.300 -0.023 0.000 2.429 974 Y HA 0.470 5.019 4.550 -0.002 0.000 0.342 974 Y C -1.915 173.930 175.900 -0.091 0.000 1.004 974 Y CA -2.052 56.026 58.100 -0.037 0.000 1.075 974 Y CB 1.622 40.083 38.460 0.002 0.000 1.214 974 Y HN 0.486 nan 8.280 nan 0.000 0.455 975 P HA -0.024 nan 4.420 nan 0.000 0.266 975 P C -0.795 176.466 177.300 -0.064 0.000 1.186 975 P CA 0.558 63.460 63.100 -0.330 0.000 0.767 975 P CB 0.541 32.084 31.700 -0.262 0.000 0.820 976 L N 1.923 123.152 121.223 0.010 0.000 2.304 976 L HA 0.498 4.837 4.340 -0.002 0.000 0.268 976 L C 0.644 177.842 176.870 0.546 0.000 1.010 976 L CA -1.061 54.065 54.840 0.478 0.000 0.813 976 L CB 1.226 43.651 42.059 0.610 0.000 1.315 976 L HN 0.172 nan 8.230 nan 0.000 0.445 977 K N 1.286 122.068 120.400 0.637 0.000 2.213 977 K HA 0.293 4.612 4.320 -0.002 0.000 0.270 977 K C -1.955 174.699 176.600 0.089 0.000 1.002 977 K CA -1.670 54.659 56.287 0.070 0.000 0.868 977 K CB 1.754 33.977 32.500 -0.463 0.000 1.093 977 K HN 0.166 nan 8.250 nan 0.000 0.454 978 P HA -0.399 nan 4.420 nan 0.000 0.216 978 P C 1.594 178.935 177.300 0.068 0.000 1.062 978 P CA 2.578 65.743 63.100 0.109 0.000 0.995 978 P CB -0.266 31.408 31.700 -0.043 0.000 0.762 979 T N -3.849 110.605 114.554 -0.167 0.000 2.795 979 T HA -0.281 4.068 4.350 -0.002 0.000 0.266 979 T C 1.671 176.465 174.700 0.158 0.000 1.056 979 T CA 1.895 63.889 62.100 -0.178 0.000 1.141 979 T CB -1.431 67.241 68.868 -0.328 0.000 0.840 979 T HN 0.292 nan 8.240 nan 0.000 0.493 980 W N -0.618 120.818 121.300 0.227 0.000 2.363 980 W HA 0.080 4.739 4.660 -0.002 0.000 0.296 980 W C 2.041 178.733 176.519 0.290 0.000 1.212 980 W CA -0.213 57.270 57.345 0.230 0.000 1.260 980 W CB -0.277 29.307 29.460 0.206 0.000 1.131 980 W HN 0.302 nan 8.180 nan 0.000 0.530 981 W N -0.852 120.785 121.300 0.561 0.000 2.409 981 W HA -0.019 4.640 4.660 -0.002 0.000 0.299 981 W C 1.676 178.421 176.519 0.376 0.000 1.203 981 W CA 0.912 58.536 57.345 0.465 0.000 1.298 981 W CB -1.159 28.580 29.460 0.466 0.000 1.127 981 W HN -0.226 nan 8.180 nan 0.000 0.528 982 F N -0.700 119.346 119.950 0.160 0.000 2.802 982 F HA -0.075 4.451 4.527 -0.002 0.000 0.302 982 F C 1.990 177.777 175.800 -0.021 0.000 1.211 982 F CA -0.271 57.503 58.000 -0.375 0.000 1.431 982 F CB -0.710 37.929 39.000 -0.601 0.000 1.114 982 F HN -0.145 nan 8.300 nan 0.000 0.567 983 C N 0.543 120.026 119.300 0.305 0.000 2.581 983 C HA -0.217 4.242 4.460 -0.002 0.000 0.287 983 C C 3.160 178.180 174.990 0.050 0.000 1.241 983 C CA 1.540 60.679 59.018 0.201 0.000 1.747 983 C CB -1.262 26.603 27.740 0.208 0.000 2.090 983 C HN 0.571 nan 8.230 nan 0.000 0.460 984 A N -0.428 122.408 122.820 0.027 0.000 2.093 984 A HA -0.205 4.114 4.320 -0.002 0.000 0.222 984 A C 1.821 179.447 177.584 0.070 0.000 1.162 984 A CA 1.593 53.579 52.037 -0.085 0.000 0.655 984 A CB -0.971 17.958 19.000 -0.118 0.000 0.805 984 A HN 0.627 nan 8.150 nan 0.000 0.461 985 F N 0.657 120.570 119.950 -0.063 0.000 2.048 985 F HA -0.285 4.241 4.527 -0.002 0.000 0.296 985 F C 0.339 176.178 175.800 0.066 0.000 1.109 985 F CA 2.608 60.616 58.000 0.013 0.000 1.214 985 F CB -1.170 37.873 39.000 0.072 0.000 0.963 985 F HN 0.272 nan 8.300 nan 0.000 0.491 986 P HA -0.229 nan 4.420 nan 0.000 0.218 986 P C 1.208 178.655 177.300 0.244 0.000 1.148 986 P CA 1.920 65.154 63.100 0.223 0.000 0.822 986 P CB -0.376 31.450 31.700 0.209 0.000 0.784 987 Y N 0.154 120.419 120.300 -0.058 0.000 2.243 987 Y HA -0.093 4.456 4.550 -0.002 0.000 0.293 987 Y C 3.020 178.898 175.900 -0.036 0.000 1.124 987 Y CA 0.664 58.726 58.100 -0.063 0.000 1.159 987 Y CB -0.557 37.837 38.460 -0.109 0.000 1.008 987 Y HN -0.048 nan 8.280 nan 0.000 0.527 988 S N 0.737 116.489 115.700 0.086 0.000 2.359 988 S HA -0.265 4.204 4.470 -0.002 0.000 0.222 988 S C 2.004 176.665 174.600 0.103 0.000 1.038 988 S CA 1.651 59.865 58.200 0.022 0.000 1.051 988 S CB -0.787 62.339 63.200 -0.124 0.000 0.944 988 S HN 0.437 nan 8.310 nan 0.000 0.433 989 L N 1.232 122.503 121.223 0.080 0.000 2.263 989 L HA -0.072 4.267 4.340 -0.002 0.000 0.216 989 L C 2.014 178.945 176.870 0.101 0.000 1.111 989 L CA 1.090 55.976 54.840 0.076 0.000 0.773 989 L CB -0.150 41.921 42.059 0.020 0.000 0.906 989 L HN 0.340 nan 8.230 nan 0.000 0.439 990 L N -0.667 120.599 121.223 0.072 0.000 1.982 990 L HA -0.191 4.148 4.340 -0.002 0.000 0.206 990 L C 2.490 179.441 176.870 0.136 0.000 1.078 990 L CA 1.686 56.551 54.840 0.043 0.000 0.749 990 L CB -0.347 41.642 42.059 -0.116 0.000 0.894 990 L HN 0.217 nan 8.230 nan 0.000 0.436 991 I N -0.149 120.486 120.570 0.108 0.000 2.181 991 I HA -0.478 3.691 4.170 -0.002 0.000 0.240 991 I C 2.485 178.722 176.117 0.200 0.000 1.006 991 I CA 2.274 63.659 61.300 0.141 0.000 1.284 991 I CB -0.512 37.546 38.000 0.097 0.000 0.990 991 I HN 0.347 nan 8.210 nan 0.000 0.408 992 F N 1.141 121.124 119.950 0.055 0.000 2.069 992 F HA -0.202 4.324 4.527 -0.002 0.000 0.298 992 F C 2.337 178.182 175.800 0.075 0.000 1.113 992 F CA 1.923 59.957 58.000 0.057 0.000 1.214 992 F CB -0.756 38.279 39.000 0.058 0.000 0.978 992 F HN -0.190 nan 8.300 nan 0.000 0.474 993 V N -0.334 119.910 119.914 0.550 0.000 2.515 993 V HA -0.268 3.851 4.120 -0.002 0.000 0.250 993 V C 2.107 178.394 176.094 0.321 0.000 1.058 993 V CA 1.752 64.292 62.300 0.401 0.000 1.064 993 V CB -1.161 30.780 31.823 0.197 0.000 0.675 993 V HN 0.495 nan 8.190 nan 0.000 0.461 994 Y N 1.690 122.060 120.300 0.116 0.000 2.097 994 Y HA -0.268 4.281 4.550 -0.002 0.000 0.282 994 Y C 2.448 178.378 175.900 0.050 0.000 1.152 994 Y CA 1.964 60.102 58.100 0.063 0.000 1.136 994 Y CB -0.814 37.666 38.460 0.033 0.000 0.975 994 Y HN 0.326 nan 8.280 nan 0.000 0.498 995 D N -0.103 120.250 120.400 -0.079 0.000 2.149 995 D HA -0.175 4.464 4.640 -0.002 0.000 0.198 995 D C 2.084 178.303 176.300 -0.135 0.000 0.990 995 D CA 1.452 55.311 54.000 -0.236 0.000 0.839 995 D CB -0.129 40.550 40.800 -0.202 0.000 0.948 995 D HN 0.403 nan 8.370 nan 0.000 0.460 996 E N -0.290 119.908 120.200 -0.004 0.000 2.077 996 E HA -0.102 4.247 4.350 -0.002 0.000 0.193 996 E C 2.107 178.735 176.600 0.047 0.000 0.989 996 E CA 0.741 57.170 56.400 0.049 0.000 0.800 996 E CB -0.135 29.699 29.700 0.223 0.000 0.746 996 E HN 0.143 nan 8.360 nan 0.000 0.452 997 V N 0.608 120.576 119.914 0.090 0.000 2.626 997 V HA -0.173 3.946 4.120 -0.002 0.000 0.252 997 V C 2.265 178.389 176.094 0.050 0.000 1.067 997 V CA 1.612 63.968 62.300 0.094 0.000 1.081 997 V CB -0.506 31.414 31.823 0.161 0.000 0.686 997 V HN 0.178 nan 8.190 nan 0.000 0.468 998 R N 0.754 121.236 120.500 -0.030 0.000 2.096 998 R HA -0.178 4.161 4.340 -0.002 0.000 0.229 998 R C 2.487 178.733 176.300 -0.090 0.000 1.134 998 R CA 1.975 58.020 56.100 -0.092 0.000 0.917 998 R CB -0.413 29.740 30.300 -0.244 0.000 0.832 998 R HN 0.473 nan 8.270 nan 0.000 0.430 999 K N 0.629 120.949 120.400 -0.133 0.000 2.089 999 K HA -0.192 4.127 4.320 -0.002 0.000 0.210 999 K C 2.192 178.741 176.600 -0.085 0.000 1.048 999 K CA 1.347 57.543 56.287 -0.152 0.000 0.926 999 K CB -0.315 32.088 32.500 -0.161 0.000 0.714 999 K HN 0.151 nan 8.250 nan 0.000 0.448 1000 L N 1.223 122.423 121.223 -0.037 0.000 1.951 1000 L HA -0.282 4.057 4.340 -0.002 0.000 0.222 1000 L C 2.489 179.356 176.870 -0.004 0.000 1.078 1000 L CA 1.746 56.580 54.840 -0.010 0.000 0.778 1000 L CB -0.904 41.164 42.059 0.014 0.000 0.893 1000 L HN 0.255 nan 8.230 nan 0.000 0.436 1001 I N 0.082 120.659 120.570 0.012 0.000 2.094 1001 I HA -0.429 3.740 4.170 -0.002 0.000 0.236 1001 I C 2.647 178.775 176.117 0.018 0.000 1.016 1001 I CA 2.041 63.359 61.300 0.031 0.000 1.294 1001 I CB -0.983 37.050 38.000 0.055 0.000 1.006 1001 I HN 0.295 nan 8.210 nan 0.000 0.397 1002 I N 0.534 121.099 120.570 -0.009 0.000 2.094 1002 I HA -0.394 3.775 4.170 -0.002 0.000 0.236 1002 I C 2.742 178.858 176.117 -0.001 0.000 1.016 1002 I CA 1.918 63.209 61.300 -0.015 0.000 1.294 1002 I CB -0.530 37.419 38.000 -0.085 0.000 1.006 1002 I HN 0.290 nan 8.210 nan 0.000 0.397 1003 R N 0.125 120.611 120.500 -0.022 0.000 2.303 1003 R HA -0.128 4.211 4.340 -0.002 0.000 0.225 1003 R C 2.116 178.421 176.300 0.009 0.000 1.114 1003 R CA 0.750 56.846 56.100 -0.007 0.000 1.007 1003 R CB -0.325 29.963 30.300 -0.019 0.000 0.861 1003 R HN 0.445 nan 8.270 nan 0.000 0.471 1004 R N 0.537 121.046 120.500 0.015 0.000 2.206 1004 R HA 0.141 4.480 4.340 -0.002 0.000 0.198 1004 R C 0.237 176.555 176.300 0.031 0.000 0.986 1004 R CA 0.476 56.590 56.100 0.022 0.000 1.029 1004 R CB 0.540 30.854 30.300 0.023 0.000 0.966 1004 R HN 0.088 nan 8.270 nan 0.000 0.487 1005 R N 0.409 120.931 120.500 0.038 0.000 2.472 1005 R HA 0.246 4.585 4.340 -0.002 0.000 0.294 1005 R C -2.242 174.088 176.300 0.050 0.000 1.243 1005 R CA -1.441 54.688 56.100 0.048 0.000 1.023 1005 R CB 1.787 32.125 30.300 0.062 0.000 1.157 1005 R HN -0.097 nan 8.270 nan 0.000 0.530 1006 P HA 0.064 nan 4.420 nan 0.000 0.245 1006 P C 0.924 178.259 177.300 0.058 0.000 1.203 1006 P CA 0.452 63.586 63.100 0.057 0.000 0.792 1006 P CB 0.630 32.361 31.700 0.052 0.000 0.997 1007 G N -0.687 108.144 108.800 0.052 0.000 3.020 1007 G HA2 0.224 4.183 3.960 -0.002 0.000 0.217 1007 G HA3 0.224 4.183 3.960 -0.002 0.000 0.217 1007 G C 0.823 175.762 174.900 0.066 0.000 1.144 1007 G CA 0.137 45.267 45.100 0.050 0.000 0.760 1007 G HN 0.345 nan 8.290 nan 0.000 0.548 1008 G N -0.893 107.955 108.800 0.080 0.000 2.683 1008 G HA2 0.193 4.152 3.960 -0.002 0.000 0.260 1008 G HA3 0.193 4.152 3.960 -0.002 0.000 0.260 1008 G C 0.622 175.616 174.900 0.155 0.000 1.238 1008 G CA -0.405 44.769 45.100 0.124 0.000 0.934 1008 G HN 0.177 nan 8.290 nan 0.000 0.534 1009 W N 0.061 121.383 121.300 0.037 0.000 2.338 1009 W HA -0.155 4.504 4.660 -0.002 0.000 0.304 1009 W C 2.418 178.966 176.519 0.049 0.000 1.212 1009 W CA 1.810 59.180 57.345 0.041 0.000 1.264 1009 W CB -0.321 29.162 29.460 0.038 0.000 1.142 1009 W HN 0.155 nan 8.180 nan 0.000 0.512 1010 V N 0.555 120.525 119.914 0.094 0.000 2.287 1010 V HA -0.365 3.754 4.120 -0.002 0.000 0.248 1010 V C 2.267 178.250 176.094 -0.185 0.000 1.053 1010 V CA 2.455 64.708 62.300 -0.078 0.000 1.027 1010 V CB -1.170 30.689 31.823 0.060 0.000 0.646 1010 V HN 0.285 nan 8.190 nan 0.000 0.447 1011 E N 0.341 120.499 120.200 -0.071 0.000 2.058 1011 E HA -0.266 4.083 4.350 -0.002 0.000 0.194 1011 E C 2.267 178.832 176.600 -0.059 0.000 0.997 1011 E CA 1.431 57.826 56.400 -0.008 0.000 0.801 1011 E CB -0.072 29.676 29.700 0.081 0.000 0.746 1011 E HN 0.576 nan 8.360 nan 0.000 0.450 1012 K N -0.012 120.300 120.400 -0.148 0.000 2.218 1012 K HA -0.174 4.145 4.320 -0.002 0.000 0.205 1012 K C 1.814 178.266 176.600 -0.247 0.000 1.046 1012 K CA 1.044 57.223 56.287 -0.179 0.000 0.933 1012 K CB 0.005 32.380 32.500 -0.210 0.000 0.728 1012 K HN 0.172 nan 8.250 nan 0.000 0.454 1013 E N -0.490 119.465 120.200 -0.408 0.000 2.340 1013 E HA -0.003 4.345 4.350 -0.002 0.000 0.198 1013 E C 1.670 178.146 176.600 -0.207 0.000 0.961 1013 E CA 1.034 57.175 56.400 -0.432 0.000 0.905 1013 E CB 0.715 29.854 29.700 -0.934 0.000 0.884 1013 E HN 0.438 nan 8.360 nan 0.000 0.491 1014 T N -2.855 111.613 114.554 -0.143 0.000 2.955 1014 T HA 0.101 4.450 4.350 -0.002 0.000 0.251 1014 T C 0.963 175.682 174.700 0.032 0.000 1.002 1014 T CA -0.361 61.707 62.100 -0.052 0.000 0.970 1014 T CB -0.351 68.446 68.868 -0.118 0.000 1.091 1014 T HN 0.059 nan 8.240 nan 0.000 0.495 1015 Y N 3.363 123.597 120.300 -0.110 0.000 2.697 1015 Y HA 0.178 4.727 4.550 -0.002 0.000 0.349 1015 Y C 0.091 175.996 175.900 0.007 0.000 1.120 1015 Y CA -1.684 56.345 58.100 -0.117 0.000 1.468 1015 Y CB -0.096 38.306 38.460 -0.097 0.000 1.182 1015 Y HN 0.083 nan 8.280 nan 0.000 0.525 1016 Y N 0.000 120.447 120.300 0.244 0.000 2.660 1016 Y HA 0.000 4.549 4.550 -0.002 0.000 0.201 1016 Y CA 0.000 58.150 58.100 0.084 0.000 1.940 1016 Y CB 0.000 38.494 38.460 0.057 0.000 1.050 1016 Y HN 0.000 nan 8.280 nan 0.000 0.758