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 1kv7_1_A DATA FIRST_RESID 31 DATA SEQUENCE RPTLPIPDLL TTDARNRIQL TIGAGQSTFG GKTATTWGYN GNLLGPAVKL DATA SEQUENCE QRGKAVTVDI YNQLTEETTL HWHGLEVPGE VDGGPQGIIP PGGKRSVTLN DATA SEQUENCE VDQPAATCWF HPHQHGKTGR QVAMGLAGLV VIEDDEILKL MLPKQWGIDD DATA SEQUENCE VPVIVQDKKF SADGQIDYQL DVMTAAVGWF GDTLLTNGAI YPQHAAPRGW DATA SEQUENCE LRLRLLNGCN ARSLNFATSD NRPLYVIASD GGLLPEPVKV SELPVLMGER DATA SEQUENCE FEVLVEVNDN KPFDLVTLPV SQMGMAIAPF DKPHPVMRIQ PIAISASGAL DATA SEQUENCE PDTLSSLPAL PSLEGLTVRK LQLSMDPMLD MMGMQMLMEK YGDQAMAGMX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXDFHHANKI NGQAFDMNKP MFAAAKGQYE DATA SEQUENCE RWVISGVGDM MLHPFHIHGT QFRILSENGK PPAAHRAGWK DTVKVEGNVS DATA SEQUENCE EVLVKFNHDA PKEHAYMAHC HLLEHEDTGM MLGFTV 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 31 R HA 0.000 nan 4.340 nan 0.000 0.208 31 R C 0.000 176.245 176.300 -0.092 0.000 0.893 31 R CA 0.000 56.009 56.100 -0.152 0.000 0.921 31 R CB 0.000 30.140 30.300 -0.266 0.000 0.687 32 P HA 0.031 nan 4.420 nan 0.000 0.272 32 P C -0.310 176.975 177.300 -0.024 0.000 1.223 32 P CA -0.223 62.858 63.100 -0.030 0.000 0.784 32 P CB 0.555 32.251 31.700 -0.007 0.000 0.923 33 T N -0.422 114.125 114.554 -0.012 0.000 2.918 33 T HA 0.161 4.516 4.350 0.009 0.000 0.302 33 T C 0.499 175.220 174.700 0.033 0.000 1.045 33 T CA -0.894 61.210 62.100 0.005 0.000 1.114 33 T CB 0.225 69.097 68.868 0.007 0.000 0.965 33 T HN 0.322 nan 8.240 nan 0.000 0.540 34 L N 3.988 125.249 121.223 0.063 0.000 2.615 34 L HA 0.291 4.637 4.340 0.009 0.000 0.271 34 L C -2.310 174.582 176.870 0.037 0.000 1.183 34 L CA -1.333 53.538 54.840 0.053 0.000 0.933 34 L CB -0.482 41.604 42.059 0.045 0.000 1.199 34 L HN 0.507 nan 8.230 nan 0.000 0.487 35 P HA 0.107 nan 4.420 nan 0.000 0.268 35 P C -0.957 176.351 177.300 0.014 0.000 1.205 35 P CA 0.134 63.257 63.100 0.038 0.000 0.771 35 P CB 0.399 32.133 31.700 0.055 0.000 0.858 36 I N 4.718 125.307 120.570 0.032 0.000 2.354 36 I HA 0.281 4.457 4.170 0.009 0.000 0.286 36 I C -2.101 174.105 176.117 0.148 0.000 1.007 36 I CA -3.054 58.254 61.300 0.014 0.000 1.167 36 I CB 0.651 38.638 38.000 -0.022 0.000 1.320 36 I HN 0.151 nan 8.210 nan 0.000 0.458 37 P HA 0.080 nan 4.420 nan 0.000 0.265 37 P C -0.485 177.064 177.300 0.414 0.000 1.193 37 P CA -0.109 63.169 63.100 0.297 0.000 0.765 37 P CB 0.516 32.415 31.700 0.330 0.000 0.823 38 D N 1.477 122.041 120.400 0.274 0.000 2.488 38 D HA 0.020 4.666 4.640 0.009 0.000 0.238 38 D C -0.067 176.306 176.300 0.121 0.000 1.138 38 D CA 0.202 54.331 54.000 0.214 0.000 0.873 38 D CB 0.266 41.151 40.800 0.142 0.000 1.183 38 D HN 0.130 nan 8.370 nan 0.000 0.458 39 L N 4.129 125.314 121.223 -0.064 0.000 2.282 39 L HA 0.248 4.593 4.340 0.009 0.000 0.287 39 L C -0.846 175.920 176.870 -0.173 0.000 1.075 39 L CA -0.165 54.458 54.840 -0.361 0.000 0.839 39 L CB 0.022 41.577 42.059 -0.839 0.000 1.219 39 L HN 0.228 nan 8.230 nan 0.000 0.434 40 L N 4.681 125.847 121.223 -0.095 0.000 2.312 40 L HA 0.584 4.929 4.340 0.009 0.000 0.281 40 L C 0.515 177.346 176.870 -0.065 0.000 1.070 40 L CA -0.468 54.348 54.840 -0.041 0.000 0.805 40 L CB 1.390 43.458 42.059 0.016 0.000 1.174 40 L HN 0.650 nan 8.230 nan 0.000 0.434 41 T N -2.158 112.364 114.554 -0.053 0.000 2.926 41 T HA 0.493 4.849 4.350 0.009 0.000 0.289 41 T C 0.025 174.700 174.700 -0.043 0.000 1.054 41 T CA -0.843 61.221 62.100 -0.059 0.000 1.015 41 T CB 1.618 70.449 68.868 -0.061 0.000 1.167 41 T HN 0.570 nan 8.240 nan 0.000 0.526 42 T N 0.478 115.002 114.554 -0.049 0.000 2.926 42 T HA 0.382 4.738 4.350 0.009 0.000 0.307 42 T C 0.151 174.835 174.700 -0.027 0.000 1.059 42 T CA -0.654 61.421 62.100 -0.041 0.000 1.122 42 T CB 0.048 68.885 68.868 -0.053 0.000 0.972 42 T HN 0.837 nan 8.240 nan 0.000 0.545 43 D N 1.401 121.790 120.400 -0.018 0.000 2.425 43 D HA 0.400 5.046 4.640 0.009 0.000 0.274 43 D C 1.479 177.770 176.300 -0.016 0.000 1.242 43 D CA -0.370 53.623 54.000 -0.012 0.000 1.060 43 D CB -0.198 40.600 40.800 -0.003 0.000 1.112 43 D HN 0.556 nan 8.370 nan 0.000 0.561 44 A N -1.127 121.686 122.820 -0.012 0.000 2.119 44 A HA -0.053 4.272 4.320 0.009 0.000 0.217 44 A C 1.937 179.511 177.584 -0.015 0.000 1.153 44 A CA 0.570 52.599 52.037 -0.014 0.000 0.692 44 A CB -0.483 18.511 19.000 -0.010 0.000 0.799 44 A HN 0.446 nan 8.150 nan 0.000 0.458 45 R N -1.062 119.430 120.500 -0.013 0.000 2.310 45 R HA 0.043 4.389 4.340 0.009 0.000 0.202 45 R C 0.216 176.503 176.300 -0.022 0.000 0.933 45 R CA 0.424 56.516 56.100 -0.014 0.000 1.054 45 R CB -0.179 30.117 30.300 -0.007 0.000 0.985 45 R HN 0.507 nan 8.270 nan 0.000 0.489 46 N N 0.919 119.603 118.700 -0.027 0.000 2.818 46 N HA -0.161 4.585 4.740 0.009 0.000 0.250 46 N C -1.204 174.279 175.510 -0.045 0.000 1.108 46 N CA 0.671 53.697 53.050 -0.040 0.000 0.745 46 N CB -0.586 37.873 38.487 -0.047 0.000 1.104 46 N HN 0.226 nan 8.380 nan 0.000 0.557 47 R N -0.014 120.468 120.500 -0.029 0.000 2.711 47 R HA 0.666 5.011 4.340 0.009 0.000 0.284 47 R C -0.229 176.063 176.300 -0.013 0.000 0.968 47 R CA -0.769 55.318 56.100 -0.023 0.000 0.924 47 R CB 1.394 31.694 30.300 -0.001 0.000 1.162 47 R HN 0.156 nan 8.270 nan 0.000 0.465 48 I N 2.065 122.627 120.570 -0.015 0.000 2.433 48 I HA 0.219 4.395 4.170 0.009 0.000 0.292 48 I C -0.189 175.957 176.117 0.048 0.000 1.001 48 I CA -0.662 60.642 61.300 0.006 0.000 1.119 48 I CB 2.007 39.994 38.000 -0.022 0.000 1.289 48 I HN 0.291 nan 8.210 nan 0.000 0.438 49 Q N 6.788 126.641 119.800 0.088 0.000 2.290 49 Q HA 0.573 4.919 4.340 0.009 0.000 0.259 49 Q C -1.191 174.907 176.000 0.163 0.000 0.941 49 Q CA -0.600 55.303 55.803 0.168 0.000 0.912 49 Q CB 2.613 31.456 28.738 0.175 0.000 1.244 49 Q HN 0.527 nan 8.270 nan 0.000 0.441 50 L N 2.121 123.462 121.223 0.197 0.000 2.325 50 L HA 0.466 4.811 4.340 0.009 0.000 0.281 50 L C -0.245 176.804 176.870 0.298 0.000 1.004 50 L CA -0.510 54.451 54.840 0.201 0.000 0.823 50 L CB 2.016 44.124 42.059 0.082 0.000 1.236 50 L HN 0.464 nan 8.230 nan 0.000 0.415 51 T N 4.268 118.985 114.554 0.272 0.000 2.771 51 T HA 0.559 4.915 4.350 0.009 0.000 0.281 51 T C -0.008 174.824 174.700 0.220 0.000 0.982 51 T CA -0.296 61.946 62.100 0.236 0.000 0.978 51 T CB 1.063 70.000 68.868 0.115 0.000 0.930 51 T HN 0.268 nan 8.240 nan 0.000 0.447 52 I N 2.986 123.657 120.570 0.168 0.000 2.315 52 I HA 0.660 4.836 4.170 0.009 0.000 0.291 52 I C 0.839 176.903 176.117 -0.088 0.000 1.006 52 I CA -0.300 61.019 61.300 0.032 0.000 1.265 52 I CB 1.044 39.056 38.000 0.019 0.000 1.387 52 I HN 0.722 nan 8.210 nan 0.000 0.475 53 G N 3.935 112.652 108.800 -0.139 0.000 2.660 53 G HA2 0.699 4.665 3.960 0.009 0.000 0.290 53 G HA3 0.699 4.665 3.960 0.009 0.000 0.290 53 G C -1.759 173.041 174.900 -0.167 0.000 1.432 53 G CA -0.679 44.319 45.100 -0.170 0.000 0.807 53 G HN 0.722 nan 8.290 nan 0.000 0.485 54 A N -0.786 121.937 122.820 -0.161 0.000 2.309 54 A HA 0.952 5.277 4.320 0.009 0.000 0.298 54 A C 0.685 178.323 177.584 0.090 0.000 1.165 54 A CA 0.483 52.538 52.037 0.030 0.000 0.821 54 A CB 1.136 20.155 19.000 0.031 0.000 1.102 54 A HN 2.005 nan 8.150 nan 0.000 0.500 55 G N 0.345 109.238 108.800 0.156 0.000 2.871 55 G HA2 0.571 4.536 3.960 0.009 0.000 0.282 55 G HA3 0.571 4.536 3.960 0.009 0.000 0.282 55 G C -1.601 173.372 174.900 0.122 0.000 1.212 55 G CA -0.338 44.826 45.100 0.107 0.000 0.812 55 G HN 0.610 nan 8.290 nan 0.000 0.547 56 Q N -0.158 119.691 119.800 0.083 0.000 2.356 56 Q HA 0.739 5.084 4.340 0.009 0.000 0.270 56 Q C -0.977 175.034 176.000 0.020 0.000 1.058 56 Q CA -0.511 55.330 55.803 0.065 0.000 0.802 56 Q CB 2.038 30.800 28.738 0.039 0.000 1.303 56 Q HN 0.438 nan 8.270 nan 0.000 0.444 57 S N 0.140 115.831 115.700 -0.014 0.000 2.634 57 S HA 0.764 5.239 4.470 0.009 0.000 0.296 57 S C -0.683 173.705 174.600 -0.354 0.000 1.104 57 S CA -0.545 57.531 58.200 -0.207 0.000 0.920 57 S CB 1.903 64.932 63.200 -0.284 0.000 1.111 57 S HN 0.467 nan 8.310 nan 0.000 0.493 58 T N 2.013 116.228 114.554 -0.564 0.000 2.841 58 T HA 0.669 5.025 4.350 0.009 0.000 0.283 58 T C -1.533 172.721 174.700 -0.745 0.000 1.000 58 T CA -0.250 61.572 62.100 -0.464 0.000 0.977 58 T CB 0.294 69.025 68.868 -0.229 0.000 0.979 58 T HN 0.363 nan 8.240 nan 0.000 0.446 59 F N 1.009 120.878 119.950 -0.136 0.000 2.539 59 F HA 0.545 5.077 4.527 0.009 0.000 0.328 59 F C 1.019 176.692 175.800 -0.212 0.000 1.148 59 F CA -0.909 56.966 58.000 -0.208 0.000 0.940 59 F CB 1.616 40.329 39.000 -0.477 0.000 1.194 59 F HN 0.830 nan 8.300 nan 0.000 0.438 60 G N 1.837 110.655 108.800 0.029 0.000 2.371 60 G HA2 0.085 4.051 3.960 0.009 0.000 0.299 60 G HA3 0.085 4.051 3.960 0.009 0.000 0.299 60 G C 1.063 175.947 174.900 -0.026 0.000 1.014 60 G CA 0.617 45.715 45.100 -0.003 0.000 1.097 60 G HN 1.894 nan 8.290 nan 0.000 0.512 61 G N -1.072 107.706 108.800 -0.037 0.000 2.296 61 G HA2 -0.266 3.699 3.960 0.009 0.000 0.282 61 G HA3 -0.266 3.699 3.960 0.009 0.000 0.282 61 G C 0.252 175.129 174.900 -0.038 0.000 1.014 61 G CA 1.509 46.585 45.100 -0.039 0.000 0.812 61 G HN 1.369 nan 8.290 nan 0.000 0.508 62 K N 0.350 120.721 120.400 -0.048 0.000 2.463 62 K HA 0.530 4.855 4.320 0.009 0.000 0.255 62 K C 0.300 176.884 176.600 -0.025 0.000 0.942 62 K CA -0.502 55.766 56.287 -0.032 0.000 0.814 62 K CB 1.090 33.569 32.500 -0.036 0.000 1.122 62 K HN 0.038 nan 8.250 nan 0.000 0.425 63 T N 1.867 116.418 114.554 -0.005 0.000 2.919 63 T HA 0.492 4.848 4.350 0.009 0.000 0.302 63 T C -0.524 174.227 174.700 0.084 0.000 1.031 63 T CA -0.313 61.794 62.100 0.011 0.000 1.127 63 T CB 1.187 70.063 68.868 0.013 0.000 0.952 63 T HN 0.622 nan 8.240 nan 0.000 0.540 64 A N 2.191 125.092 122.820 0.135 0.000 2.455 64 A HA 0.627 4.953 4.320 0.009 0.000 0.300 64 A C 0.103 177.809 177.584 0.203 0.000 1.040 64 A CA -0.913 51.264 52.037 0.233 0.000 0.697 64 A CB 1.124 20.397 19.000 0.455 0.000 1.265 64 A HN 0.669 nan 8.150 nan 0.000 0.407 65 T N 2.968 117.625 114.554 0.172 0.000 2.817 65 T HA 0.457 4.813 4.350 0.009 0.000 0.295 65 T C 0.671 175.471 174.700 0.165 0.000 0.958 65 T CA 1.063 63.261 62.100 0.163 0.000 1.157 65 T CB -0.209 68.749 68.868 0.149 0.000 0.898 65 T HN 1.011 nan 8.240 nan 0.000 0.536 66 T N 0.177 114.855 114.554 0.206 0.000 2.887 66 T HA 0.723 5.079 4.350 0.009 0.000 0.292 66 T C -1.451 173.467 174.700 0.364 0.000 1.087 66 T CA -1.072 61.140 62.100 0.188 0.000 1.009 66 T CB 1.367 70.379 68.868 0.240 0.000 1.203 66 T HN 0.471 nan 8.240 nan 0.000 0.518 67 W N -0.228 121.079 121.300 0.012 0.000 2.761 67 W HA 0.804 5.469 4.660 0.009 0.000 0.340 67 W C 0.290 176.760 176.519 -0.081 0.000 1.072 67 W CA -1.009 56.307 57.345 -0.050 0.000 1.215 67 W CB 1.927 31.329 29.460 -0.097 0.000 1.420 67 W HN 1.248 nan 8.180 nan 0.000 0.519 68 G N 0.680 109.534 108.800 0.090 0.000 2.684 68 G HA2 0.596 4.562 3.960 0.009 0.000 0.290 68 G HA3 0.596 4.562 3.960 0.009 0.000 0.290 68 G C -2.562 172.283 174.900 -0.090 0.000 1.425 68 G CA -0.785 44.311 45.100 -0.007 0.000 0.822 68 G HN 0.136 nan 8.290 nan 0.000 0.482 69 Y N 0.793 121.193 120.300 0.166 0.000 2.326 69 Y HA 0.317 4.872 4.550 0.009 0.000 0.337 69 Y C 0.741 176.739 175.900 0.163 0.000 1.023 69 Y CA -0.880 57.331 58.100 0.185 0.000 1.143 69 Y CB 1.381 40.014 38.460 0.288 0.000 1.183 69 Y HN 0.509 nan 8.280 nan 0.000 0.485 70 N N 1.714 120.579 118.700 0.274 0.000 2.705 70 N HA -0.150 4.596 4.740 0.009 0.000 0.255 70 N C -0.079 175.521 175.510 0.151 0.000 1.008 70 N CA 1.375 54.537 53.050 0.186 0.000 0.742 70 N CB -0.947 37.656 38.487 0.193 0.000 0.906 70 N HN 1.125 nan 8.380 nan 0.000 0.541 71 G N -1.168 107.707 108.800 0.125 0.000 2.359 71 G HA2 0.025 3.990 3.960 0.009 0.000 0.293 71 G HA3 0.025 3.990 3.960 0.009 0.000 0.293 71 G C 0.154 175.112 174.900 0.096 0.000 1.300 71 G CA -0.339 44.822 45.100 0.103 0.000 0.888 71 G HN 0.063 nan 8.290 nan 0.000 0.541 72 N N -1.019 117.735 118.700 0.091 0.000 2.446 72 N HA 0.149 4.895 4.740 0.009 0.000 0.179 72 N C 0.221 175.809 175.510 0.131 0.000 1.054 72 N CA 0.950 54.060 53.050 0.100 0.000 0.905 72 N CB 0.477 39.009 38.487 0.075 0.000 0.973 72 N HN 0.533 nan 8.380 nan 0.000 0.448 73 L N 0.020 121.320 121.223 0.129 0.000 2.549 73 L HA 0.281 4.626 4.340 0.009 0.000 0.259 73 L C -0.169 176.790 176.870 0.148 0.000 0.934 73 L CA -0.376 54.555 54.840 0.152 0.000 0.865 73 L CB 1.101 43.264 42.059 0.173 0.000 1.352 73 L HN -0.025 nan 8.230 nan 0.000 0.410 74 L N 1.949 123.260 121.223 0.146 0.000 6.706 74 L HA -0.072 4.273 4.340 0.009 0.000 0.053 74 L C 0.579 177.582 176.870 0.221 0.000 1.950 74 L CA 1.398 56.335 54.840 0.162 0.000 1.620 74 L CB -1.632 40.515 42.059 0.146 0.000 2.781 74 L HN 1.093 nan 8.230 nan 0.000 1.068 75 G N -1.870 107.061 108.800 0.218 0.000 2.349 75 G HA2 0.556 4.522 3.960 0.009 0.000 0.294 75 G HA3 0.556 4.522 3.960 0.009 0.000 0.294 75 G C -3.182 171.860 174.900 0.236 0.000 1.380 75 G CA -0.042 45.237 45.100 0.299 0.000 0.811 75 G HN 0.455 nan 8.290 nan 0.000 0.519 76 P HA 0.558 nan 4.420 nan 0.000 0.282 76 P C -0.580 176.891 177.300 0.284 0.000 1.287 76 P CA -0.191 63.067 63.100 0.264 0.000 0.792 76 P CB 1.479 33.328 31.700 0.247 0.000 1.163 77 A N 0.589 123.545 122.820 0.227 0.000 2.256 77 A HA 0.445 4.771 4.320 0.009 0.000 0.317 77 A C -0.251 177.386 177.584 0.088 0.000 1.318 77 A CA -0.657 51.487 52.037 0.179 0.000 0.894 77 A CB 0.022 19.057 19.000 0.059 0.000 1.165 77 A HN 0.278 nan 8.150 nan 0.000 0.525 78 V N 3.766 123.800 119.914 0.200 0.000 2.455 78 V HA 0.167 4.293 4.120 0.009 0.000 0.273 78 V C 0.605 176.692 176.094 -0.011 0.000 1.045 78 V CA -0.138 62.217 62.300 0.092 0.000 0.976 78 V CB 1.056 32.969 31.823 0.150 0.000 0.993 78 V HN 0.850 nan 8.190 nan 0.000 0.475 79 K N 5.959 126.306 120.400 -0.089 0.000 2.211 79 K HA 0.621 4.946 4.320 0.009 0.000 0.275 79 K C -1.154 175.381 176.600 -0.109 0.000 1.024 79 K CA -0.472 55.741 56.287 -0.123 0.000 0.887 79 K CB 0.729 33.126 32.500 -0.171 0.000 1.084 79 K HN 0.588 nan 8.250 nan 0.000 0.463 80 L N 2.865 124.026 121.223 -0.103 0.000 2.341 80 L HA 0.428 4.774 4.340 0.009 0.000 0.267 80 L C -0.706 176.107 176.870 -0.094 0.000 1.009 80 L CA -1.143 53.626 54.840 -0.118 0.000 0.819 80 L CB 2.106 44.077 42.059 -0.146 0.000 1.323 80 L HN 0.612 nan 8.230 nan 0.000 0.425 81 Q N 1.672 121.416 119.800 -0.093 0.000 2.340 81 Q HA 0.350 4.695 4.340 0.009 0.000 0.268 81 Q C -0.687 175.268 176.000 -0.074 0.000 1.031 81 Q CA -0.640 55.119 55.803 -0.073 0.000 0.804 81 Q CB 1.896 30.596 28.738 -0.062 0.000 1.286 81 Q HN 0.429 nan 8.270 nan 0.000 0.448 82 R N 2.185 122.647 120.500 -0.063 0.000 2.585 82 R HA 0.260 4.606 4.340 0.009 0.000 0.275 82 R C 0.462 176.729 176.300 -0.055 0.000 1.018 82 R CA 1.763 57.825 56.100 -0.062 0.000 1.072 82 R CB -0.162 30.106 30.300 -0.053 0.000 0.953 82 R HN 1.020 nan 8.270 nan 0.000 0.419 83 G N 2.760 111.526 108.800 -0.056 0.000 2.179 83 G HA2 -0.287 3.679 3.960 0.009 0.000 0.260 83 G HA3 -0.287 3.679 3.960 0.009 0.000 0.260 83 G C -0.329 174.540 174.900 -0.053 0.000 0.977 83 G CA 0.459 45.531 45.100 -0.047 0.000 0.641 83 G HN 0.562 nan 8.290 nan 0.000 0.533 84 K N 0.014 120.374 120.400 -0.067 0.000 2.267 84 K HA 0.783 5.108 4.320 0.009 0.000 0.246 84 K C -0.030 176.513 176.600 -0.095 0.000 0.954 84 K CA -0.172 56.071 56.287 -0.073 0.000 0.824 84 K CB 2.228 34.685 32.500 -0.071 0.000 1.167 84 K HN 0.491 nan 8.250 nan 0.000 0.431 85 A N 1.334 124.097 122.820 -0.094 0.000 2.325 85 A HA 0.695 5.021 4.320 0.009 0.000 0.333 85 A C -0.572 176.937 177.584 -0.125 0.000 1.155 85 A CA -0.649 51.318 52.037 -0.117 0.000 0.814 85 A CB 0.916 19.855 19.000 -0.100 0.000 1.206 85 A HN 0.512 nan 8.150 nan 0.000 0.482 86 V N -0.805 119.012 119.914 -0.162 0.000 2.962 86 V HA 0.866 4.992 4.120 0.009 0.000 0.313 86 V C -0.379 175.614 176.094 -0.168 0.000 1.099 86 V CA -0.472 61.734 62.300 -0.155 0.000 0.971 86 V CB 1.613 33.332 31.823 -0.174 0.000 1.028 86 V HN 0.758 nan 8.190 nan 0.000 0.430 87 T N 2.878 117.355 114.554 -0.129 0.000 2.794 87 T HA 0.657 5.012 4.350 0.009 0.000 0.280 87 T C -0.406 174.229 174.700 -0.108 0.000 0.987 87 T CA -0.314 61.714 62.100 -0.120 0.000 0.993 87 T CB 1.371 70.188 68.868 -0.085 0.000 0.939 87 T HN 0.772 nan 8.240 nan 0.000 0.449 88 V N 3.949 123.796 119.914 -0.112 0.000 2.370 88 V HA 0.333 4.458 4.120 0.009 0.000 0.283 88 V C -0.280 175.785 176.094 -0.048 0.000 1.023 88 V CA -0.980 61.284 62.300 -0.060 0.000 0.857 88 V CB 1.513 33.327 31.823 -0.014 0.000 0.985 88 V HN 0.801 nan 8.190 nan 0.000 0.443 89 D N 5.256 125.633 120.400 -0.039 0.000 2.313 89 D HA 0.472 5.117 4.640 0.009 0.000 0.239 89 D C -0.313 175.885 176.300 -0.170 0.000 1.142 89 D CA 0.087 54.007 54.000 -0.133 0.000 0.847 89 D CB 1.942 42.707 40.800 -0.058 0.000 1.082 89 D HN 0.382 nan 8.370 nan 0.000 0.480 90 I N 3.047 123.449 120.570 -0.280 0.000 2.354 90 I HA 0.172 4.347 4.170 0.009 0.000 0.286 90 I C -0.683 175.277 176.117 -0.263 0.000 1.007 90 I CA -0.834 60.373 61.300 -0.154 0.000 1.167 90 I CB 0.604 38.559 38.000 -0.075 0.000 1.320 90 I HN 0.142 nan 8.210 nan 0.000 0.458 91 Y N 4.430 124.751 120.300 0.035 0.000 2.404 91 Y HA 0.256 4.811 4.550 0.009 0.000 0.344 91 Y C 0.555 176.464 175.900 0.015 0.000 0.970 91 Y CA -0.651 57.461 58.100 0.021 0.000 1.180 91 Y CB 0.614 39.085 38.460 0.018 0.000 1.138 91 Y HN 0.478 nan 8.280 nan 0.000 0.510 92 N N 3.460 122.216 118.700 0.093 0.000 2.415 92 N HA 0.069 4.815 4.740 0.009 0.000 0.246 92 N C -0.093 175.421 175.510 0.008 0.000 1.078 92 N CA 0.056 53.123 53.050 0.029 0.000 0.942 92 N CB 0.620 39.102 38.487 -0.008 0.000 1.140 92 N HN 0.688 nan 8.380 nan 0.000 0.501 93 Q N 2.584 122.371 119.800 -0.023 0.000 2.220 93 Q HA 0.238 4.583 4.340 0.009 0.000 0.205 93 Q C 0.076 175.993 176.000 -0.138 0.000 0.865 93 Q CA -0.122 55.650 55.803 -0.052 0.000 0.960 93 Q CB 0.491 29.210 28.738 -0.032 0.000 1.097 93 Q HN 0.549 nan 8.270 nan 0.000 0.493 94 L N 0.174 121.263 121.223 -0.223 0.000 2.475 94 L HA 0.131 4.476 4.340 0.009 0.000 0.253 94 L C 1.485 178.240 176.870 -0.192 0.000 1.198 94 L CA 0.024 54.663 54.840 -0.335 0.000 0.814 94 L CB 0.432 42.153 42.059 -0.563 0.000 1.134 94 L HN 0.105 nan 8.230 nan 0.000 0.478 95 T N -3.514 110.940 114.554 -0.167 0.000 3.122 95 T HA 0.136 4.491 4.350 0.009 0.000 0.250 95 T C 0.156 174.822 174.700 -0.057 0.000 1.067 95 T CA -0.353 61.700 62.100 -0.077 0.000 0.966 95 T CB -0.398 68.449 68.868 -0.035 0.000 1.002 95 T HN 0.711 nan 8.240 nan 0.000 0.542 96 E N 0.235 120.380 120.200 -0.092 0.000 2.359 96 E HA 0.499 4.855 4.350 0.009 0.000 0.266 96 E C -1.179 175.394 176.600 -0.045 0.000 0.920 96 E CA -1.139 55.240 56.400 -0.036 0.000 0.788 96 E CB 1.391 31.104 29.700 0.022 0.000 1.279 96 E HN 0.179 nan 8.360 nan 0.000 0.438 97 E N 0.342 120.542 120.200 -0.000 0.000 2.415 97 E HA 0.134 4.489 4.350 0.009 0.000 0.262 97 E C -0.526 176.089 176.600 0.024 0.000 1.038 97 E CA 0.604 57.011 56.400 0.012 0.000 0.921 97 E CB 1.249 30.971 29.700 0.037 0.000 0.950 97 E HN 0.454 nan 8.360 nan 0.000 0.438 98 T N 0.428 114.999 114.554 0.028 0.000 2.754 98 T HA 0.512 4.867 4.350 0.009 0.000 0.296 98 T C -1.212 173.533 174.700 0.075 0.000 1.205 98 T CA -0.401 61.737 62.100 0.063 0.000 1.009 98 T CB 1.689 70.585 68.868 0.047 0.000 1.368 98 T HN 0.591 nan 8.240 nan 0.000 0.509 99 T N -0.084 114.531 114.554 0.101 0.000 2.883 99 T HA 0.746 5.101 4.350 0.009 0.000 0.296 99 T C -1.438 173.308 174.700 0.076 0.000 1.117 99 T CA -0.822 61.331 62.100 0.087 0.000 1.006 99 T CB 1.444 70.377 68.868 0.109 0.000 1.191 99 T HN 0.612 nan 8.240 nan 0.000 0.508 100 L N 2.225 123.443 121.223 -0.009 0.000 2.372 100 L HA 0.577 4.923 4.340 0.009 0.000 0.273 100 L C -1.233 175.442 176.870 -0.325 0.000 0.989 100 L CA -0.764 53.968 54.840 -0.180 0.000 0.841 100 L CB 1.115 42.990 42.059 -0.308 0.000 1.225 100 L HN 1.009 nan 8.230 nan 0.000 0.414 101 H N 3.525 122.329 119.070 -0.444 0.000 2.457 101 H HA 0.398 4.960 4.556 0.009 0.000 0.335 101 H C -1.700 173.270 175.328 -0.597 0.000 1.115 101 H CA -0.457 55.346 56.048 -0.408 0.000 1.219 101 H CB 1.001 30.625 29.762 -0.230 0.000 1.471 101 H HN 0.477 nan 8.280 nan 0.000 0.491 102 W N 5.340 126.179 121.300 -0.767 0.000 2.289 102 W HA 0.195 4.860 4.660 0.009 0.000 0.342 102 W C -0.118 175.905 176.519 -0.828 0.000 0.958 102 W CA -0.836 56.160 57.345 -0.583 0.000 1.492 102 W CB -0.136 29.133 29.460 -0.317 0.000 1.336 102 W HN 0.684 nan 8.180 nan 0.000 0.371 103 H N 1.770 120.338 119.070 -0.837 0.000 3.026 103 H HA 0.359 4.920 4.556 0.009 0.000 0.289 103 H C 1.401 176.672 175.328 -0.094 0.000 1.022 103 H CA 1.376 57.111 56.048 -0.520 0.000 1.477 103 H CB 0.439 29.814 29.762 -0.645 0.000 1.510 103 H HN 0.792 nan 8.280 nan 0.000 0.535 104 G N 3.870 112.776 108.800 0.178 0.000 2.195 104 G HA2 -0.251 3.714 3.960 0.009 0.000 0.224 104 G HA3 -0.251 3.714 3.960 0.009 0.000 0.224 104 G C -0.440 174.494 174.900 0.058 0.000 0.990 104 G CA -0.090 45.124 45.100 0.190 0.000 0.639 104 G HN 0.568 nan 8.290 nan 0.000 0.514 105 L N 1.691 122.927 121.223 0.021 0.000 2.305 105 L HA 0.468 4.813 4.340 0.009 0.000 0.281 105 L C 0.595 177.432 176.870 -0.054 0.000 1.085 105 L CA -0.050 54.770 54.840 -0.034 0.000 0.813 105 L CB 1.163 43.188 42.059 -0.058 0.000 1.157 105 L HN 0.239 nan 8.230 nan 0.000 0.436 106 E N 3.563 123.713 120.200 -0.084 0.000 1.861 106 E HA 0.344 4.699 4.350 0.009 0.000 0.263 106 E C -0.771 175.630 176.600 -0.331 0.000 1.137 106 E CA -0.246 56.115 56.400 -0.065 0.000 0.944 106 E CB 0.452 30.174 29.700 0.036 0.000 1.092 106 E HN 0.411 nan 8.360 nan 0.000 0.420 107 V N 0.078 119.828 119.914 -0.273 0.000 3.078 107 V HA 0.619 4.744 4.120 0.009 0.000 0.311 107 V C -2.781 173.271 176.094 -0.071 0.000 1.138 107 V CA -3.279 58.796 62.300 -0.375 0.000 1.007 107 V CB 1.796 33.483 31.823 -0.227 0.000 1.045 107 V HN 0.203 nan 8.190 nan 0.000 0.432 108 P HA 0.210 nan 4.420 nan 0.000 0.269 108 P C 1.141 178.450 177.300 0.016 0.000 1.217 108 P CA 0.729 63.867 63.100 0.062 0.000 0.783 108 P CB 0.682 32.375 31.700 -0.011 0.000 0.898 109 G N 1.337 109.996 108.800 -0.236 0.000 2.450 109 G HA2 -0.273 3.693 3.960 0.009 0.000 0.220 109 G HA3 -0.273 3.693 3.960 0.009 0.000 0.220 109 G C 1.167 175.994 174.900 -0.121 0.000 1.130 109 G CA 0.660 45.577 45.100 -0.306 0.000 0.760 109 G HN 0.489 nan 8.290 nan 0.000 0.557 110 E N -0.447 119.655 120.200 -0.162 0.000 2.265 110 E HA -0.054 4.301 4.350 0.009 0.000 0.196 110 E C 2.443 178.886 176.600 -0.261 0.000 0.996 110 E CA 1.186 57.390 56.400 -0.327 0.000 0.832 110 E CB 0.049 29.582 29.700 -0.278 0.000 0.756 110 E HN 0.515 nan 8.360 nan 0.000 0.491 111 V N -2.777 117.072 119.914 -0.109 0.000 3.427 111 V HA 0.206 4.331 4.120 0.009 0.000 0.305 111 V C 1.124 177.289 176.094 0.118 0.000 1.412 111 V CA 0.269 62.549 62.300 -0.033 0.000 1.086 111 V CB 0.527 32.302 31.823 -0.081 0.000 0.964 111 V HN -0.062 nan 8.190 nan 0.000 0.439 112 D N 2.312 122.795 120.400 0.139 0.000 2.312 112 D HA 0.109 4.754 4.640 0.009 0.000 0.211 112 D C 1.827 178.315 176.300 0.312 0.000 0.964 112 D CA 1.546 55.718 54.000 0.287 0.000 0.877 112 D CB -0.220 40.786 40.800 0.343 0.000 0.924 112 D HN 0.776 nan 8.370 nan 0.000 0.515 113 G N -0.614 108.292 108.800 0.177 0.000 2.221 113 G HA2 -0.195 3.771 3.960 0.009 0.000 0.265 113 G HA3 -0.195 3.771 3.960 0.009 0.000 0.265 113 G C 0.684 175.637 174.900 0.087 0.000 1.041 113 G CA 0.327 45.499 45.100 0.119 0.000 0.807 113 G HN 0.649 nan 8.290 nan 0.000 0.502 114 G N -0.007 108.799 108.800 0.010 0.000 2.583 114 G HA2 0.534 4.500 3.960 0.009 0.000 0.275 114 G HA3 0.534 4.500 3.960 0.009 0.000 0.275 114 G C -0.150 174.699 174.900 -0.083 0.000 1.342 114 G CA -0.001 44.967 45.100 -0.220 0.000 1.030 114 G HN 0.160 nan 8.290 nan 0.000 0.520 115 P HA -0.081 nan 4.420 nan 0.000 0.225 115 P C 1.165 178.488 177.300 0.038 0.000 1.148 115 P CA 1.115 64.249 63.100 0.057 0.000 0.779 115 P CB 0.200 31.966 31.700 0.111 0.000 0.780 116 Q N -0.540 119.262 119.800 0.003 0.000 2.472 116 Q HA 0.090 4.436 4.340 0.009 0.000 0.208 116 Q C 1.592 177.637 176.000 0.075 0.000 0.958 116 Q CA 0.478 56.275 55.803 -0.011 0.000 0.932 116 Q CB -0.356 28.321 28.738 -0.101 0.000 1.007 116 Q HN 0.212 nan 8.270 nan 0.000 0.508 117 G N 1.046 109.906 108.800 0.099 0.000 3.581 117 G HA2 0.167 4.132 3.960 0.009 0.000 0.255 117 G HA3 0.167 4.132 3.960 0.009 0.000 0.255 117 G C 0.141 175.085 174.900 0.073 0.000 1.121 117 G CA -0.359 44.807 45.100 0.109 0.000 1.739 117 G HN 0.113 nan 8.290 nan 0.000 0.646 118 I N 1.259 121.869 120.570 0.067 0.000 2.618 118 I HA 0.099 4.275 4.170 0.009 0.000 0.284 118 I C 0.267 176.404 176.117 0.032 0.000 1.146 118 I CA 0.352 61.682 61.300 0.049 0.000 1.425 118 I CB 0.951 38.975 38.000 0.040 0.000 1.383 118 I HN 0.122 nan 8.210 nan 0.000 0.562 119 I N 8.193 128.778 120.570 0.025 0.000 2.382 119 I HA 0.283 4.459 4.170 0.009 0.000 0.285 119 I C -2.334 173.785 176.117 0.003 0.000 1.007 119 I CA -2.016 59.287 61.300 0.006 0.000 1.142 119 I CB 1.558 39.559 38.000 0.000 0.000 1.289 119 I HN 0.249 nan 8.210 nan 0.000 0.453 120 P HA 0.168 nan 4.420 nan 0.000 0.272 120 P C -2.510 174.785 177.300 -0.008 0.000 1.223 120 P CA -1.418 61.681 63.100 -0.001 0.000 0.784 120 P CB -0.280 31.420 31.700 0.000 0.000 0.923 121 P HA 0.018 nan 4.420 nan 0.000 0.263 121 P C 0.981 178.273 177.300 -0.013 0.000 1.195 121 P CA 1.137 64.220 63.100 -0.029 0.000 0.762 121 P CB -0.102 31.579 31.700 -0.032 0.000 0.799 122 G N 1.942 110.738 108.800 -0.007 0.000 2.179 122 G HA2 -0.162 3.803 3.960 0.009 0.000 0.260 122 G HA3 -0.162 3.803 3.960 0.009 0.000 0.260 122 G C 0.515 175.437 174.900 0.036 0.000 0.977 122 G CA -0.041 45.068 45.100 0.015 0.000 0.641 122 G HN 0.897 nan 8.290 nan 0.000 0.533 123 G N -0.834 107.981 108.800 0.024 0.000 2.531 123 G HA2 0.655 4.620 3.960 0.009 0.000 0.313 123 G HA3 0.655 4.620 3.960 0.009 0.000 0.313 123 G C -0.482 174.418 174.900 -0.001 0.000 1.238 123 G CA 0.051 45.160 45.100 0.016 0.000 0.994 123 G HN 0.533 nan 8.290 nan 0.000 0.493 124 K N -0.053 120.309 120.400 -0.063 0.000 2.468 124 K HA 0.467 4.792 4.320 0.009 0.000 0.252 124 K C -1.033 175.461 176.600 -0.176 0.000 0.932 124 K CA -0.794 55.366 56.287 -0.213 0.000 0.794 124 K CB 1.649 33.932 32.500 -0.361 0.000 1.241 124 K HN 0.384 nan 8.250 nan 0.000 0.428 125 R N 1.413 121.798 120.500 -0.191 0.000 2.686 125 R HA 0.418 4.763 4.340 0.009 0.000 0.286 125 R C -0.997 175.212 176.300 -0.152 0.000 0.969 125 R CA -0.874 55.147 56.100 -0.132 0.000 0.898 125 R CB 2.163 32.419 30.300 -0.074 0.000 1.183 125 R HN 0.620 nan 8.270 nan 0.000 0.456 126 S N 1.010 116.638 115.700 -0.120 0.000 2.472 126 S HA 0.604 5.079 4.470 0.009 0.000 0.303 126 S C -0.333 174.217 174.600 -0.082 0.000 1.099 126 S CA -0.765 57.370 58.200 -0.108 0.000 1.077 126 S CB 1.787 64.924 63.200 -0.105 0.000 1.031 126 S HN 0.403 nan 8.310 nan 0.000 0.487 127 V N 0.582 120.454 119.914 -0.071 0.000 2.789 127 V HA 0.771 4.896 4.120 0.009 0.000 0.311 127 V C -0.431 175.584 176.094 -0.132 0.000 1.073 127 V CA -0.636 61.614 62.300 -0.084 0.000 0.921 127 V CB 1.726 33.529 31.823 -0.034 0.000 1.009 127 V HN 0.671 nan 8.190 nan 0.000 0.426 128 T N 5.709 120.176 114.554 -0.145 0.000 2.758 128 T HA 0.607 4.962 4.350 0.009 0.000 0.285 128 T C -0.259 174.310 174.700 -0.218 0.000 0.981 128 T CA -0.215 61.785 62.100 -0.167 0.000 0.965 128 T CB 0.755 69.548 68.868 -0.124 0.000 0.927 128 T HN 0.631 nan 8.240 nan 0.000 0.448 129 L N 4.533 125.583 121.223 -0.289 0.000 2.255 129 L HA 0.404 4.750 4.340 0.009 0.000 0.289 129 L C 0.467 177.183 176.870 -0.257 0.000 1.046 129 L CA -0.675 53.953 54.840 -0.353 0.000 0.816 129 L CB 0.417 42.148 42.059 -0.547 0.000 1.197 129 L HN 0.518 nan 8.230 nan 0.000 0.427 130 N N 3.511 122.084 118.700 -0.212 0.000 2.645 130 N HA 0.151 4.897 4.740 0.009 0.000 0.233 130 N C -0.474 174.945 175.510 -0.152 0.000 1.058 130 N CA -0.203 52.757 53.050 -0.149 0.000 0.942 130 N CB 1.831 40.259 38.487 -0.099 0.000 1.210 130 N HN 0.245 nan 8.380 nan 0.000 0.512 131 V N 2.075 121.898 119.914 -0.151 0.000 2.479 131 V HA 0.016 4.142 4.120 0.009 0.000 0.281 131 V C 0.595 176.634 176.094 -0.092 0.000 1.031 131 V CA 0.229 62.443 62.300 -0.144 0.000 1.038 131 V CB 0.822 32.557 31.823 -0.147 0.000 0.981 131 V HN 0.496 nan 8.190 nan 0.000 0.478 132 D N 4.042 124.398 120.400 -0.072 0.000 2.849 132 D HA 0.294 4.940 4.640 0.009 0.000 0.314 132 D C -0.278 175.992 176.300 -0.050 0.000 1.210 132 D CA -0.262 53.719 54.000 -0.033 0.000 0.756 132 D CB 0.427 41.251 40.800 0.040 0.000 1.222 132 D HN 0.786 nan 8.370 nan 0.000 0.521 133 Q N -0.837 118.910 119.800 -0.088 0.000 2.575 133 Q HA 0.620 4.966 4.340 0.009 0.000 0.290 133 Q C -3.072 172.851 176.000 -0.129 0.000 0.963 133 Q CA -1.891 53.829 55.803 -0.138 0.000 0.783 133 Q CB 1.889 30.535 28.738 -0.154 0.000 1.467 133 Q HN -0.146 nan 8.270 nan 0.000 0.402 134 P HA 0.170 nan 4.420 nan 0.000 0.273 134 P C -0.675 176.584 177.300 -0.068 0.000 1.250 134 P CA -0.116 62.923 63.100 -0.101 0.000 0.793 134 P CB 0.225 31.863 31.700 -0.105 0.000 1.011 135 A N 0.631 123.433 122.820 -0.031 0.000 2.565 135 A HA 0.416 4.742 4.320 0.009 0.000 0.237 135 A C 0.376 177.964 177.584 0.007 0.000 1.053 135 A CA 1.124 53.156 52.037 -0.009 0.000 0.755 135 A CB -1.194 17.811 19.000 0.008 0.000 0.980 135 A HN 0.723 nan 8.150 nan 0.000 0.506 136 A N 1.786 124.615 122.820 0.015 0.000 2.586 136 A HA 0.673 4.998 4.320 0.009 0.000 0.291 136 A C -0.346 177.268 177.584 0.050 0.000 1.062 136 A CA -0.339 51.716 52.037 0.031 0.000 0.666 136 A CB 0.489 19.499 19.000 0.016 0.000 1.281 136 A HN 1.018 nan 8.150 nan 0.000 0.421 137 T N 1.303 115.895 114.554 0.063 0.000 2.753 137 T HA 0.513 4.869 4.350 0.009 0.000 0.297 137 T C -0.085 174.680 174.700 0.108 0.000 0.981 137 T CA -0.092 62.062 62.100 0.090 0.000 0.956 137 T CB -0.223 68.694 68.868 0.082 0.000 0.936 137 T HN 0.726 nan 8.240 nan 0.000 0.463 138 C N 3.546 122.945 119.300 0.165 0.000 2.604 138 C HA 0.872 5.337 4.460 0.009 0.000 0.416 138 C C -0.413 174.815 174.990 0.396 0.000 1.566 138 C CA -0.718 58.455 59.018 0.258 0.000 1.812 138 C CB 1.109 28.974 27.740 0.207 0.000 2.028 138 C HN 0.996 nan 8.230 nan 0.000 0.489 139 W N 0.078 121.442 121.300 0.105 0.000 2.961 139 W HA 0.711 5.377 4.660 0.009 0.000 0.368 139 W C -2.043 174.575 176.519 0.166 0.000 1.213 139 W CA -1.772 55.627 57.345 0.089 0.000 1.173 139 W CB 0.383 29.822 29.460 -0.036 0.000 1.487 139 W HN 0.747 nan 8.180 nan 0.000 0.585 140 F N 0.435 120.342 119.950 -0.071 0.000 2.613 140 F HA 0.814 5.346 4.527 0.009 0.000 0.310 140 F C -1.010 174.583 175.800 -0.345 0.000 1.085 140 F CA -1.109 56.569 58.000 -0.536 0.000 0.945 140 F CB 1.753 40.267 39.000 -0.809 0.000 1.298 140 F HN 0.713 nan 8.300 nan 0.000 0.455 141 H N -1.291 117.654 119.070 -0.209 0.000 2.950 141 H HA 0.658 5.220 4.556 0.009 0.000 0.307 141 H C -3.532 171.842 175.328 0.077 0.000 1.403 141 H CA -2.236 53.796 56.048 -0.027 0.000 1.145 141 H CB 0.858 30.481 29.762 -0.232 0.000 1.844 141 H HN 0.410 nan 8.280 nan 0.000 0.515 142 P HA 0.115 nan 4.420 nan 0.000 0.272 142 P C -0.226 177.217 177.300 0.240 0.000 1.230 142 P CA 0.207 63.455 63.100 0.246 0.000 0.788 142 P CB 0.640 32.472 31.700 0.219 0.000 0.949 143 H N -0.299 118.840 119.070 0.115 0.000 2.777 143 H HA 0.131 4.692 4.556 0.009 0.000 0.244 143 H C 0.032 175.394 175.328 0.058 0.000 1.185 143 H CA -0.344 55.745 56.048 0.068 0.000 0.945 143 H CB 0.378 30.146 29.762 0.010 0.000 1.994 143 H HN 0.353 nan 8.280 nan 0.000 0.638 144 Q N 1.383 121.290 119.800 0.178 0.000 2.283 144 Q HA -0.082 4.264 4.340 0.009 0.000 0.301 144 Q C -0.054 176.060 176.000 0.190 0.000 1.063 144 Q CA 0.365 56.268 55.803 0.166 0.000 0.952 144 Q CB -0.061 28.753 28.738 0.128 0.000 1.166 144 Q HN 0.466 nan 8.270 nan 0.000 0.381 145 H N 3.630 122.767 119.070 0.112 0.000 3.187 145 H HA 0.073 4.635 4.556 0.009 0.000 0.286 145 H C 1.004 176.395 175.328 0.105 0.000 0.944 145 H CA 0.981 57.109 56.048 0.134 0.000 1.429 145 H CB 0.108 29.967 29.762 0.162 0.000 1.483 145 H HN 1.029 nan 8.280 nan 0.000 0.555 146 G N 4.592 113.322 108.800 -0.116 0.000 2.184 146 G HA2 -0.317 3.649 3.960 0.009 0.000 0.264 146 G HA3 -0.317 3.649 3.960 0.009 0.000 0.264 146 G C 0.735 175.615 174.900 -0.033 0.000 0.975 146 G CA 0.723 45.734 45.100 -0.148 0.000 0.642 146 G HN 0.679 nan 8.290 nan 0.000 0.536 147 K N -0.628 119.767 120.400 -0.009 0.000 2.533 147 K HA 0.222 4.547 4.320 0.009 0.000 0.202 147 K C 1.733 178.296 176.600 -0.060 0.000 1.096 147 K CA 0.471 56.748 56.287 -0.017 0.000 1.056 147 K CB 0.493 33.003 32.500 0.016 0.000 0.890 147 K HN 0.173 nan 8.250 nan 0.000 0.552 148 T N 0.650 115.167 114.554 -0.062 0.000 2.746 148 T HA -0.126 4.229 4.350 0.009 0.000 0.267 148 T C 1.945 176.541 174.700 -0.172 0.000 1.039 148 T CA 1.910 63.946 62.100 -0.106 0.000 1.142 148 T CB -0.199 68.553 68.868 -0.193 0.000 0.866 148 T HN 0.503 nan 8.240 nan 0.000 0.444 149 G N 1.216 109.915 108.800 -0.169 0.000 2.418 149 G HA2 -0.262 3.703 3.960 0.009 0.000 0.217 149 G HA3 -0.262 3.703 3.960 0.009 0.000 0.217 149 G C 1.567 176.033 174.900 -0.723 0.000 1.158 149 G CA 0.928 45.885 45.100 -0.239 0.000 0.771 149 G HN 0.439 nan 8.290 nan 0.000 0.545 150 R N 0.091 120.029 120.500 -0.937 0.000 2.081 150 R HA -0.045 4.300 4.340 0.009 0.000 0.235 150 R C 2.646 178.454 176.300 -0.819 0.000 1.131 150 R CA 1.617 56.891 56.100 -1.377 0.000 0.960 150 R CB -0.262 29.560 30.300 -0.796 0.000 0.856 150 R HN 0.425 nan 8.270 nan 0.000 0.436 151 Q N -0.367 119.181 119.800 -0.419 0.000 2.172 151 Q HA -0.072 4.273 4.340 0.009 0.000 0.200 151 Q C 2.127 178.019 176.000 -0.180 0.000 0.964 151 Q CA 1.297 56.976 55.803 -0.206 0.000 0.855 151 Q CB 0.271 29.089 28.738 0.134 0.000 0.918 151 Q HN 0.232 nan 8.270 nan 0.000 0.444 152 V N 1.042 120.846 119.914 -0.184 0.000 2.358 152 V HA -0.233 3.892 4.120 0.009 0.000 0.246 152 V C 2.310 178.298 176.094 -0.177 0.000 1.047 152 V CA 1.785 64.030 62.300 -0.092 0.000 1.035 152 V CB -0.881 30.913 31.823 -0.048 0.000 0.658 152 V HN 0.351 nan 8.190 nan 0.000 0.452 153 A N -0.523 122.063 122.820 -0.391 0.000 1.972 153 A HA -0.204 4.121 4.320 0.009 0.000 0.219 153 A C 2.148 179.485 177.584 -0.412 0.000 1.169 153 A CA 1.792 53.559 52.037 -0.450 0.000 0.635 153 A CB -0.443 17.938 19.000 -1.033 0.000 0.810 153 A HN 0.412 nan 8.150 nan 0.000 0.446 154 M N -1.770 117.493 119.600 -0.561 0.000 2.476 154 M HA 0.054 4.540 4.480 0.009 0.000 0.262 154 M C 1.594 177.722 176.300 -0.286 0.000 1.079 154 M CA 1.300 56.224 55.300 -0.626 0.000 1.104 154 M CB -0.684 31.066 32.600 -1.418 0.000 1.409 154 M HN 0.733 nan 8.290 nan 0.000 0.467 155 G N -0.379 108.346 108.800 -0.126 0.000 2.613 155 G HA2 -0.090 3.875 3.960 0.009 0.000 0.199 155 G HA3 -0.090 3.875 3.960 0.009 0.000 0.199 155 G C 0.028 174.968 174.900 0.066 0.000 0.991 155 G CA -0.633 44.488 45.100 0.036 0.000 0.756 155 G HN 0.319 nan 8.290 nan 0.000 0.515 156 L N 1.691 122.943 121.223 0.049 0.000 2.369 156 L HA 0.622 4.968 4.340 0.009 0.000 0.279 156 L C 0.512 177.518 176.870 0.227 0.000 1.108 156 L CA 0.446 55.287 54.840 0.001 0.000 0.852 156 L CB 1.029 43.054 42.059 -0.057 0.000 1.169 156 L HN 0.489 nan 8.230 nan 0.000 0.452 157 A N 2.935 125.945 122.820 0.316 0.000 2.582 157 A HA 0.794 5.120 4.320 0.009 0.000 0.297 157 A C -0.585 177.019 177.584 0.033 0.000 1.059 157 A CA -0.023 52.196 52.037 0.303 0.000 0.705 157 A CB 1.462 20.678 19.000 0.360 0.000 1.279 157 A HN 0.700 nan 8.150 nan 0.000 0.404 158 G N -0.273 108.176 108.800 -0.585 0.000 2.866 158 G HA2 0.698 4.663 3.960 0.009 0.000 0.289 158 G HA3 0.698 4.663 3.960 0.009 0.000 0.289 158 G C -1.351 173.229 174.900 -0.533 0.000 1.396 158 G CA -0.722 43.830 45.100 -0.913 0.000 0.848 158 G HN 0.813 nan 8.290 nan 0.000 0.515 159 L N -0.762 120.423 121.223 -0.064 0.000 2.303 159 L HA 0.753 5.099 4.340 0.009 0.000 0.266 159 L C -0.670 176.447 176.870 0.411 0.000 1.011 159 L CA -1.189 53.786 54.840 0.225 0.000 0.818 159 L CB 2.472 44.673 42.059 0.237 0.000 1.326 159 L HN 0.237 nan 8.230 nan 0.000 0.435 160 V N 1.805 121.931 119.914 0.354 0.000 2.483 160 V HA 0.358 4.483 4.120 0.009 0.000 0.297 160 V C -0.482 175.702 176.094 0.151 0.000 1.027 160 V CA -0.633 61.834 62.300 0.278 0.000 0.855 160 V CB 2.039 34.049 31.823 0.311 0.000 0.995 160 V HN 0.368 nan 8.190 nan 0.000 0.424 161 V N 6.617 126.565 119.914 0.055 0.000 2.311 161 V HA 0.456 4.581 4.120 0.009 0.000 0.275 161 V C -0.005 176.078 176.094 -0.018 0.000 1.022 161 V CA -0.232 62.074 62.300 0.011 0.000 0.830 161 V CB 1.215 32.984 31.823 -0.090 0.000 1.012 161 V HN 0.676 nan 8.190 nan 0.000 0.452 162 I N 4.829 125.398 120.570 -0.002 0.000 2.353 162 I HA 0.443 4.618 4.170 0.009 0.000 0.293 162 I C 0.380 176.483 176.117 -0.022 0.000 0.992 162 I CA -0.201 61.081 61.300 -0.030 0.000 1.268 162 I CB 1.112 39.092 38.000 -0.034 0.000 1.387 162 I HN 0.567 nan 8.210 nan 0.000 0.478 163 E N 4.654 124.834 120.200 -0.034 0.000 2.281 163 E HA 0.468 4.823 4.350 0.009 0.000 0.262 163 E C -1.443 175.140 176.600 -0.028 0.000 0.933 163 E CA -0.797 55.590 56.400 -0.023 0.000 0.809 163 E CB 2.194 31.881 29.700 -0.022 0.000 1.242 163 E HN 0.633 nan 8.360 nan 0.000 0.418 164 D N -0.750 119.639 120.400 -0.018 0.000 2.744 164 D HA 0.153 4.799 4.640 0.009 0.000 0.304 164 D C -0.064 176.230 176.300 -0.010 0.000 1.179 164 D CA -0.507 53.481 54.000 -0.019 0.000 1.024 164 D CB 0.248 41.035 40.800 -0.021 0.000 1.453 164 D HN 0.127 nan 8.370 nan 0.000 0.529 165 D N -0.451 119.944 120.400 -0.009 0.000 2.183 165 D HA -0.112 4.534 4.640 0.009 0.000 0.203 165 D C 1.477 177.779 176.300 0.003 0.000 0.969 165 D CA 1.029 55.027 54.000 -0.003 0.000 0.842 165 D CB 0.113 40.910 40.800 -0.004 0.000 0.957 165 D HN 0.708 nan 8.370 nan 0.000 0.484 166 E N 0.912 121.115 120.200 0.005 0.000 2.031 166 E HA -0.171 4.184 4.350 0.009 0.000 0.193 166 E C 2.243 178.851 176.600 0.014 0.000 0.994 166 E CA 0.707 57.114 56.400 0.012 0.000 0.800 166 E CB -0.219 29.491 29.700 0.017 0.000 0.752 166 E HN 0.216 nan 8.360 nan 0.000 0.447 167 I N 0.571 121.150 120.570 0.015 0.000 2.394 167 I HA -0.220 3.956 4.170 0.009 0.000 0.251 167 I C 2.097 178.225 176.117 0.018 0.000 1.136 167 I CA 0.746 62.057 61.300 0.019 0.000 1.425 167 I CB 0.075 38.089 38.000 0.022 0.000 1.079 167 I HN 0.263 nan 8.210 nan 0.000 0.425 168 L N 0.347 121.579 121.223 0.015 0.000 2.201 168 L HA -0.198 4.147 4.340 0.009 0.000 0.212 168 L C 2.263 179.143 176.870 0.016 0.000 1.105 168 L CA 1.232 56.082 54.840 0.017 0.000 0.775 168 L CB -0.560 41.506 42.059 0.012 0.000 0.913 168 L HN 0.206 nan 8.230 nan 0.000 0.440 169 K N 0.084 120.492 120.400 0.013 0.000 2.362 169 K HA -0.085 4.241 4.320 0.009 0.000 0.200 169 K C 1.891 178.499 176.600 0.012 0.000 1.046 169 K CA 0.752 57.046 56.287 0.013 0.000 0.952 169 K CB 0.017 32.524 32.500 0.011 0.000 0.753 169 K HN 0.323 nan 8.250 nan 0.000 0.466 170 L N 0.066 121.296 121.223 0.011 0.000 2.395 170 L HA 0.020 4.366 4.340 0.009 0.000 0.218 170 L C 0.157 177.031 176.870 0.007 0.000 1.130 170 L CA 0.047 54.890 54.840 0.005 0.000 0.826 170 L CB -0.207 41.853 42.059 0.000 0.000 0.941 170 L HN 0.246 nan 8.230 nan 0.000 0.451 171 M N -0.942 118.668 119.600 0.017 0.000 2.732 171 M HA -0.189 4.297 4.480 0.009 0.000 0.207 171 M C 0.073 176.388 176.300 0.025 0.000 0.513 171 M CA 0.788 56.103 55.300 0.026 0.000 0.652 171 M CB -2.776 29.840 32.600 0.027 0.000 2.410 171 M HN 0.086 nan 8.290 nan 0.000 0.660 172 L N 0.568 121.800 121.223 0.015 0.000 2.483 172 L HA 0.096 4.441 4.340 0.009 0.000 0.277 172 L C -1.187 175.713 176.870 0.050 0.000 1.248 172 L CA -1.224 53.622 54.840 0.011 0.000 0.825 172 L CB -0.178 41.886 42.059 0.009 0.000 1.096 172 L HN 0.017 nan 8.230 nan 0.000 0.512 173 P HA -0.017 nan 4.420 nan 0.000 0.264 173 P C -0.562 176.797 177.300 0.098 0.000 1.183 173 P CA 0.322 63.481 63.100 0.099 0.000 0.763 173 P CB 0.297 32.068 31.700 0.120 0.000 0.807 174 K N 0.814 121.279 120.400 0.108 0.000 2.603 174 K HA 0.138 4.464 4.320 0.009 0.000 0.195 174 K C -0.295 176.398 176.600 0.155 0.000 1.213 174 K CA -0.397 55.967 56.287 0.129 0.000 1.084 174 K CB 0.420 32.978 32.500 0.098 0.000 0.981 174 K HN 0.160 nan 8.250 nan 0.000 0.577 175 Q N 1.876 121.761 119.800 0.142 0.000 2.389 175 Q HA 0.058 4.403 4.340 0.009 0.000 0.244 175 Q C -0.945 175.173 176.000 0.198 0.000 1.056 175 Q CA -0.150 55.748 55.803 0.157 0.000 0.908 175 Q CB 0.547 29.354 28.738 0.115 0.000 1.273 175 Q HN 0.307 nan 8.270 nan 0.000 0.471 176 W N 2.806 124.134 121.300 0.045 0.000 2.347 176 W HA 0.098 4.762 4.660 0.008 0.000 0.333 176 W C 0.775 177.325 176.519 0.052 0.000 1.383 176 W CA 1.901 59.271 57.345 0.042 0.000 1.283 176 W CB 0.437 29.920 29.460 0.038 0.000 1.253 176 W HN 0.922 nan 8.180 nan 0.000 0.563 177 G N 4.057 112.603 108.800 -0.423 0.000 2.175 177 G HA2 -0.329 3.636 3.960 0.009 0.000 0.244 177 G HA3 -0.329 3.636 3.960 0.009 0.000 0.244 177 G C 0.398 175.305 174.900 0.012 0.000 0.982 177 G CA 0.495 45.420 45.100 -0.291 0.000 0.641 177 G HN 0.573 nan 8.290 nan 0.000 0.527 178 I N -0.084 120.515 120.570 0.048 0.000 3.809 178 I HA 0.228 4.404 4.170 0.009 0.000 0.245 178 I C 1.688 177.917 176.117 0.187 0.000 1.119 178 I CA 0.762 62.151 61.300 0.147 0.000 1.597 178 I CB 0.056 38.109 38.000 0.089 0.000 1.605 178 I HN 0.092 nan 8.210 nan 0.000 0.441 179 D N -1.121 119.344 120.400 0.107 0.000 2.433 179 D HA 0.052 4.697 4.640 0.009 0.000 0.211 179 D C -0.069 176.267 176.300 0.059 0.000 1.114 179 D CA 0.146 54.210 54.000 0.107 0.000 0.837 179 D CB 0.128 40.998 40.800 0.117 0.000 0.984 179 D HN 0.080 nan 8.370 nan 0.000 0.505 180 D N 1.040 121.439 120.400 -0.002 0.000 2.421 180 D HA 0.315 4.961 4.640 0.009 0.000 0.254 180 D C -0.960 175.159 176.300 -0.302 0.000 1.238 180 D CA -0.783 53.193 54.000 -0.039 0.000 0.919 180 D CB 1.533 42.400 40.800 0.112 0.000 1.152 180 D HN -0.025 nan 8.370 nan 0.000 0.552 181 V N 1.638 121.327 119.914 -0.375 0.000 2.789 181 V HA 0.821 4.946 4.120 0.009 0.000 0.311 181 V C -2.822 172.986 176.094 -0.478 0.000 1.073 181 V CA -2.170 59.753 62.300 -0.628 0.000 0.921 181 V CB 2.101 33.527 31.823 -0.661 0.000 1.009 181 V HN 0.284 nan 8.190 nan 0.000 0.426 182 P HA 0.462 nan 4.420 nan 0.000 0.282 182 P C -0.845 176.326 177.300 -0.215 0.000 1.249 182 P CA -0.385 62.570 63.100 -0.243 0.000 0.806 182 P CB 1.816 33.460 31.700 -0.093 0.000 0.984 183 V N 4.590 124.402 119.914 -0.170 0.000 2.380 183 V HA 0.295 4.421 4.120 0.009 0.000 0.272 183 V C 0.239 176.259 176.094 -0.124 0.000 1.011 183 V CA -0.317 61.889 62.300 -0.155 0.000 0.826 183 V CB 0.760 32.459 31.823 -0.207 0.000 1.040 183 V HN 0.411 nan 8.190 nan 0.000 0.441 184 I N 4.614 125.137 120.570 -0.078 0.000 2.297 184 I HA 0.390 4.565 4.170 0.009 0.000 0.291 184 I C -0.304 175.801 176.117 -0.021 0.000 1.033 184 I CA -0.500 60.751 61.300 -0.081 0.000 1.253 184 I CB 1.521 39.483 38.000 -0.062 0.000 1.396 184 I HN 0.243 nan 8.210 nan 0.000 0.476 185 V N 6.932 126.844 119.914 -0.003 0.000 2.398 185 V HA 0.432 4.557 4.120 0.009 0.000 0.286 185 V C -0.172 175.927 176.094 0.008 0.000 1.026 185 V CA -0.473 61.864 62.300 0.061 0.000 0.868 185 V CB 1.481 33.426 31.823 0.202 0.000 0.982 185 V HN 0.716 nan 8.190 nan 0.000 0.443 186 Q N 2.752 122.561 119.800 0.014 0.000 2.340 186 Q HA 0.424 4.770 4.340 0.009 0.000 0.276 186 Q C -1.653 174.338 176.000 -0.016 0.000 1.048 186 Q CA -0.906 54.894 55.803 -0.005 0.000 0.832 186 Q CB 3.049 31.806 28.738 0.030 0.000 1.373 186 Q HN 0.894 nan 8.270 nan 0.000 0.409 187 D N 1.204 121.560 120.400 -0.073 0.000 2.217 187 D HA 0.528 5.174 4.640 0.009 0.000 0.248 187 D C -0.678 175.530 176.300 -0.153 0.000 1.008 187 D CA -0.494 53.437 54.000 -0.115 0.000 0.914 187 D CB 1.798 42.451 40.800 -0.244 0.000 1.182 187 D HN 0.288 nan 8.370 nan 0.000 0.451 188 K N -0.270 119.994 120.400 -0.227 0.000 2.509 188 K HA 0.482 4.808 4.320 0.009 0.000 0.266 188 K C -0.642 175.632 176.600 -0.543 0.000 0.987 188 K CA -1.033 55.014 56.287 -0.399 0.000 0.868 188 K CB 2.744 34.967 32.500 -0.462 0.000 1.421 188 K HN 0.578 nan 8.250 nan 0.000 0.444 189 K N 0.558 120.575 120.400 -0.638 0.000 2.385 189 K HA 0.603 4.929 4.320 0.009 0.000 0.248 189 K C -1.320 174.965 176.600 -0.525 0.000 0.955 189 K CA -0.805 55.218 56.287 -0.439 0.000 0.816 189 K CB 1.322 33.639 32.500 -0.306 0.000 1.250 189 K HN 0.267 nan 8.250 nan 0.000 0.434 190 F N 0.519 120.486 119.950 0.028 0.000 2.563 190 F HA 0.355 4.888 4.527 0.009 0.000 0.316 190 F C 0.351 176.178 175.800 0.046 0.000 1.076 190 F CA -0.700 57.328 58.000 0.047 0.000 0.921 190 F CB 2.382 41.400 39.000 0.030 0.000 1.209 190 F HN 0.746 nan 8.300 nan 0.000 0.462 191 S N 0.776 116.615 115.700 0.232 0.000 2.655 191 S HA 0.568 5.044 4.470 0.009 0.000 0.265 191 S C 1.153 175.837 174.600 0.139 0.000 1.240 191 S CA -0.258 58.028 58.200 0.143 0.000 0.986 191 S CB 1.241 64.503 63.200 0.103 0.000 0.985 191 S HN 0.852 nan 8.310 nan 0.000 0.562 192 A N 1.133 124.008 122.820 0.091 0.000 1.948 192 A HA -0.189 4.136 4.320 0.009 0.000 0.220 192 A C 1.659 179.286 177.584 0.072 0.000 1.177 192 A CA 2.004 54.084 52.037 0.071 0.000 0.636 192 A CB -1.285 17.745 19.000 0.050 0.000 0.815 192 A HN 0.967 nan 8.150 nan 0.000 0.449 193 D N -2.403 118.045 120.400 0.079 0.000 2.349 193 D HA 0.274 4.920 4.640 0.009 0.000 0.224 193 D C 1.181 177.534 176.300 0.089 0.000 1.029 193 D CA 1.059 55.102 54.000 0.073 0.000 0.879 193 D CB -0.549 40.292 40.800 0.067 0.000 0.906 193 D HN 0.867 nan 8.370 nan 0.000 0.528 194 G N -0.576 108.296 108.800 0.119 0.000 2.194 194 G HA2 -0.259 3.706 3.960 0.009 0.000 0.236 194 G HA3 -0.259 3.706 3.960 0.009 0.000 0.236 194 G C 0.198 175.253 174.900 0.257 0.000 0.987 194 G CA -0.121 45.057 45.100 0.129 0.000 0.635 194 G HN 0.360 nan 8.290 nan 0.000 0.520 195 Q N 0.251 120.197 119.800 0.242 0.000 2.368 195 Q HA 0.526 4.871 4.340 0.009 0.000 0.237 195 Q C 1.127 177.323 176.000 0.327 0.000 0.987 195 Q CA -0.454 55.505 55.803 0.260 0.000 0.896 195 Q CB 0.905 29.731 28.738 0.146 0.000 1.241 195 Q HN 0.530 nan 8.270 nan 0.000 0.485 196 I N 1.573 122.277 120.570 0.223 0.000 2.683 196 I HA -0.156 4.020 4.170 0.009 0.000 0.286 196 I C 0.600 176.722 176.117 0.008 0.000 1.175 196 I CA 0.378 61.664 61.300 -0.023 0.000 1.429 196 I CB 0.158 38.084 38.000 -0.123 0.000 1.371 196 I HN 0.425 nan 8.210 nan 0.000 0.569 197 D N 6.811 127.239 120.400 0.046 0.000 2.557 197 D HA 0.089 4.735 4.640 0.009 0.000 0.236 197 D C -0.859 175.561 176.300 0.200 0.000 1.154 197 D CA -0.311 53.754 54.000 0.107 0.000 0.985 197 D CB -0.002 40.858 40.800 0.100 0.000 1.010 197 D HN 0.273 nan 8.370 nan 0.000 0.516 198 Y N 2.896 123.089 120.300 -0.179 0.000 2.308 198 Y HA 0.379 4.935 4.550 0.009 0.000 0.329 198 Y C -0.568 175.152 175.900 -0.300 0.000 1.111 198 Y CA -0.323 57.435 58.100 -0.571 0.000 1.179 198 Y CB 0.812 38.741 38.460 -0.885 0.000 1.201 198 Y HN 0.252 nan 8.280 nan 0.000 0.483 199 Q N 6.565 125.681 119.800 -1.139 0.000 2.309 199 Q HA 0.315 4.660 4.340 0.009 0.000 0.273 199 Q C -2.366 173.154 176.000 -0.801 0.000 1.040 199 Q CA -1.113 54.283 55.803 -0.679 0.000 0.834 199 Q CB 2.162 30.739 28.738 -0.270 0.000 1.345 199 Q HN 0.763 nan 8.270 nan 0.000 0.414 200 L N 3.612 124.611 121.223 -0.372 0.000 2.264 200 L HA 0.502 4.848 4.340 0.009 0.000 0.287 200 L C -1.330 175.469 176.870 -0.119 0.000 1.039 200 L CA 0.344 55.102 54.840 -0.138 0.000 0.829 200 L CB 0.366 42.516 42.059 0.151 0.000 1.211 200 L HN 0.803 nan 8.230 nan 0.000 0.427 201 D N 2.479 122.660 120.400 -0.365 0.000 2.732 201 D HA 0.121 4.766 4.640 0.009 0.000 0.292 201 D C 0.584 176.257 176.300 -1.045 0.000 1.135 201 D CA -0.292 53.311 54.000 -0.662 0.000 1.071 201 D CB 0.927 41.530 40.800 -0.329 0.000 1.457 201 D HN 0.107 nan 8.370 nan 0.000 0.547 202 V N 0.196 119.511 119.914 -1.000 0.000 2.490 202 V HA -0.162 3.964 4.120 0.009 0.000 0.250 202 V C 2.110 178.000 176.094 -0.340 0.000 1.061 202 V CA 2.250 64.111 62.300 -0.733 0.000 1.064 202 V CB -0.649 30.947 31.823 -0.379 0.000 0.670 202 V HN 0.617 nan 8.190 nan 0.000 0.461 203 M N 0.588 120.042 119.600 -0.243 0.000 2.077 203 M HA -0.144 4.342 4.480 0.009 0.000 0.261 203 M C 2.282 178.542 176.300 -0.066 0.000 1.070 203 M CA 2.677 57.912 55.300 -0.108 0.000 1.125 203 M CB -0.335 32.219 32.600 -0.076 0.000 1.339 203 M HN 0.647 nan 8.290 nan 0.000 0.409 204 T N -1.677 112.809 114.554 -0.113 0.000 2.995 204 T HA 0.104 4.459 4.350 0.009 0.000 0.269 204 T C 1.694 176.409 174.700 0.026 0.000 1.091 204 T CA 0.872 62.959 62.100 -0.023 0.000 1.128 204 T CB -0.655 68.192 68.868 -0.036 0.000 0.891 204 T HN 0.436 nan 8.240 nan 0.000 0.492 205 A N 1.236 124.027 122.820 -0.047 0.000 2.067 205 A HA 0.436 4.761 4.320 0.009 0.000 0.219 205 A C 2.632 180.344 177.584 0.214 0.000 1.158 205 A CA 1.482 53.577 52.037 0.096 0.000 0.661 205 A CB -1.022 18.002 19.000 0.040 0.000 0.801 205 A HN 0.731 nan 8.150 nan 0.000 0.452 206 A N -0.603 122.298 122.820 0.134 0.000 1.887 206 A HA 0.220 4.546 4.320 0.009 0.000 0.212 206 A C 1.953 179.719 177.584 0.304 0.000 1.198 206 A CA 1.643 53.798 52.037 0.198 0.000 0.628 206 A CB -0.543 18.515 19.000 0.096 0.000 0.847 206 A HN 1.120 nan 8.150 nan 0.000 0.449 207 V N -4.322 115.698 119.914 0.178 0.000 3.477 207 V HA 0.593 4.719 4.120 0.009 0.000 0.297 207 V C 0.775 176.928 176.094 0.098 0.000 1.433 207 V CA 0.349 62.730 62.300 0.135 0.000 1.052 207 V CB -0.732 31.171 31.823 0.134 0.000 0.895 207 V HN 1.740 nan 8.190 nan 0.000 0.438 208 G N -0.506 108.357 108.800 0.105 0.000 2.629 208 G HA2 -0.161 3.804 3.960 0.009 0.000 0.686 208 G HA3 -0.161 3.804 3.960 0.009 0.000 0.686 208 G C -1.110 173.919 174.900 0.214 0.000 1.232 208 G CA -0.318 44.853 45.100 0.119 0.000 0.803 208 G HN 1.014 nan 8.290 nan 0.000 0.638 209 W N 2.932 124.242 121.300 0.017 0.000 2.335 209 W HA 0.706 5.372 4.660 0.009 0.000 0.306 209 W C 0.108 176.637 176.519 0.017 0.000 1.216 209 W CA -0.697 56.605 57.345 -0.071 0.000 1.237 209 W CB 0.251 29.691 29.460 -0.034 0.000 1.243 209 W HN 0.748 nan 8.180 nan 0.000 0.493 210 F N 4.236 123.757 119.950 -0.716 0.000 2.643 210 F HA 0.969 5.502 4.527 0.009 0.000 0.314 210 F C -0.123 175.138 175.800 -0.898 0.000 1.096 210 F CA -1.171 56.388 58.000 -0.735 0.000 0.953 210 F CB 0.905 39.627 39.000 -0.465 0.000 1.345 210 F HN 0.504 nan 8.300 nan 0.000 0.468 211 G N -0.130 108.368 108.800 -0.504 0.000 2.921 211 G HA2 0.441 4.407 3.960 0.009 0.000 0.291 211 G HA3 0.441 4.407 3.960 0.009 0.000 0.291 211 G C -1.434 173.459 174.900 -0.012 0.000 1.370 211 G CA -0.310 44.525 45.100 -0.441 0.000 0.847 211 G HN 0.800 nan 8.290 nan 0.000 0.532 212 D N -1.499 118.933 120.400 0.053 0.000 2.433 212 D HA 0.182 4.828 4.640 0.009 0.000 0.211 212 D C 0.381 176.811 176.300 0.216 0.000 1.114 212 D CA 0.067 54.201 54.000 0.223 0.000 0.837 212 D CB 0.572 41.444 40.800 0.120 0.000 0.984 212 D HN 0.183 nan 8.370 nan 0.000 0.505 213 T N 1.054 115.723 114.554 0.191 0.000 2.812 213 T HA 0.467 4.822 4.350 0.009 0.000 0.282 213 T C -0.896 173.915 174.700 0.186 0.000 0.990 213 T CA -0.641 61.579 62.100 0.200 0.000 0.960 213 T CB 1.957 70.990 68.868 0.275 0.000 0.948 213 T HN -0.031 nan 8.240 nan 0.000 0.438 214 L N 4.377 125.717 121.223 0.195 0.000 2.295 214 L HA 0.631 4.976 4.340 0.009 0.000 0.285 214 L C -1.117 175.852 176.870 0.165 0.000 1.035 214 L CA -0.508 54.419 54.840 0.145 0.000 0.806 214 L CB 0.722 42.810 42.059 0.048 0.000 1.214 214 L HN 0.576 nan 8.230 nan 0.000 0.426 215 L N 3.861 125.165 121.223 0.135 0.000 2.346 215 L HA 0.642 4.987 4.340 0.009 0.000 0.274 215 L C -0.460 176.492 176.870 0.137 0.000 1.007 215 L CA -0.597 54.343 54.840 0.167 0.000 0.818 215 L CB 2.061 44.224 42.059 0.174 0.000 1.284 215 L HN 0.507 nan 8.230 nan 0.000 0.424 216 T N 1.255 115.897 114.554 0.147 0.000 2.864 216 T HA 0.225 4.581 4.350 0.009 0.000 0.299 216 T C -0.049 174.706 174.700 0.091 0.000 1.011 216 T CA -0.524 61.641 62.100 0.108 0.000 0.975 216 T CB 0.634 69.572 68.868 0.115 0.000 0.962 216 T HN 0.596 nan 8.240 nan 0.000 0.448 217 N N 2.221 120.960 118.700 0.065 0.000 2.716 217 N HA -0.239 4.507 4.740 0.009 0.000 0.250 217 N C 1.256 176.834 175.510 0.113 0.000 1.033 217 N CA 1.752 54.843 53.050 0.068 0.000 0.727 217 N CB -1.308 37.200 38.487 0.035 0.000 0.950 217 N HN 1.296 nan 8.380 nan 0.000 0.541 218 G N -2.960 105.935 108.800 0.157 0.000 2.205 218 G HA2 -0.116 3.850 3.960 0.009 0.000 0.261 218 G HA3 -0.116 3.850 3.960 0.009 0.000 0.261 218 G C 0.206 175.275 174.900 0.282 0.000 0.980 218 G CA 0.776 46.021 45.100 0.241 0.000 0.632 218 G HN 1.174 nan 8.290 nan 0.000 0.533 219 A N -0.240 122.701 122.820 0.202 0.000 2.320 219 A HA 0.827 5.152 4.320 0.009 0.000 0.334 219 A C 0.162 177.878 177.584 0.220 0.000 1.147 219 A CA -0.661 51.489 52.037 0.188 0.000 0.820 219 A CB 0.853 19.923 19.000 0.116 0.000 1.218 219 A HN 0.682 nan 8.150 nan 0.000 0.482 220 I N 2.062 122.768 120.570 0.226 0.000 2.352 220 I HA 0.117 4.293 4.170 0.009 0.000 0.290 220 I C -0.138 176.136 176.117 0.262 0.000 1.036 220 I CA -0.157 61.288 61.300 0.241 0.000 1.336 220 I CB 0.266 38.403 38.000 0.229 0.000 1.407 220 I HN 0.663 nan 8.210 nan 0.000 0.497 221 Y N 7.628 127.991 120.300 0.104 0.000 2.986 221 Y HA -0.165 4.391 4.550 0.009 0.000 0.200 221 Y C -2.274 173.653 175.900 0.045 0.000 1.324 221 Y CA -1.019 57.124 58.100 0.072 0.000 0.825 221 Y CB -1.555 36.935 38.460 0.050 0.000 1.251 221 Y HN 0.409 nan 8.280 nan 0.000 0.413 222 P HA 0.206 nan 4.420 nan 0.000 0.278 222 P C -0.785 176.510 177.300 -0.008 0.000 1.266 222 P CA -0.305 62.818 63.100 0.039 0.000 0.807 222 P CB 0.979 32.720 31.700 0.069 0.000 1.094 223 Q N 0.138 119.907 119.800 -0.052 0.000 2.306 223 Q HA 0.512 4.857 4.340 0.009 0.000 0.265 223 Q C -1.272 174.735 176.000 0.013 0.000 1.022 223 Q CA -0.708 55.062 55.803 -0.055 0.000 0.853 223 Q CB 1.413 30.081 28.738 -0.117 0.000 1.327 223 Q HN 0.484 nan 8.270 nan 0.000 0.449 224 H N 0.789 119.803 119.070 -0.093 0.000 2.658 224 H HA 0.567 5.129 4.556 0.009 0.000 0.337 224 H C -1.560 173.714 175.328 -0.090 0.000 1.009 224 H CA -0.242 55.753 56.048 -0.087 0.000 1.231 224 H CB 1.680 31.388 29.762 -0.091 0.000 1.508 224 H HN 0.865 nan 8.280 nan 0.000 0.517 225 A N 4.233 126.616 122.820 -0.727 0.000 2.347 225 A HA 0.669 4.994 4.320 0.009 0.000 0.287 225 A C -0.365 176.863 177.584 -0.593 0.000 1.199 225 A CA 0.194 51.929 52.037 -0.503 0.000 0.851 225 A CB -0.503 18.311 19.000 -0.311 0.000 1.118 225 A HN 0.834 nan 8.150 nan 0.000 0.525 226 A N 4.945 127.607 122.820 -0.263 0.000 2.386 226 A HA 0.889 5.215 4.320 0.009 0.000 0.311 226 A C -2.911 174.661 177.584 -0.021 0.000 1.068 226 A CA -1.900 50.089 52.037 -0.081 0.000 0.743 226 A CB 1.239 20.290 19.000 0.086 0.000 1.258 226 A HN 0.591 nan 8.150 nan 0.000 0.429 227 P HA 0.173 nan 4.420 nan 0.000 0.274 227 P C -0.390 176.919 177.300 0.015 0.000 1.231 227 P CA -0.461 62.644 63.100 0.008 0.000 0.790 227 P CB 0.510 32.222 31.700 0.021 0.000 0.951 228 R N 0.948 121.444 120.500 -0.006 0.000 2.502 228 R HA 0.349 4.694 4.340 0.009 0.000 0.292 228 R C 0.828 177.091 176.300 -0.061 0.000 0.998 228 R CA 1.554 57.636 56.100 -0.031 0.000 1.056 228 R CB -0.822 29.455 30.300 -0.039 0.000 0.939 228 R HN 0.867 nan 8.270 nan 0.000 0.411 229 G N 3.640 112.362 108.800 -0.129 0.000 2.217 229 G HA2 -0.165 3.801 3.960 0.009 0.000 0.173 229 G HA3 -0.165 3.801 3.960 0.009 0.000 0.173 229 G C -1.551 173.186 174.900 -0.272 0.000 1.324 229 G CA -0.519 44.431 45.100 -0.250 0.000 1.225 229 G HN 0.596 nan 8.290 nan 0.000 0.494 230 W N 0.249 121.565 121.300 0.027 0.000 2.365 230 W HA 0.680 5.340 4.660 -0.000 0.000 0.316 230 W C 0.031 176.583 176.519 0.056 0.000 1.164 230 W CA -0.648 56.717 57.345 0.035 0.000 1.204 230 W CB 1.635 31.101 29.460 0.009 0.000 1.213 230 W HN 0.464 nan 8.180 nan 0.000 0.539 231 L N 4.591 126.035 121.223 0.368 0.000 2.305 231 L HA 0.489 4.835 4.340 0.009 0.000 0.284 231 L C -0.265 176.725 176.870 0.200 0.000 1.013 231 L CA -1.205 53.780 54.840 0.242 0.000 0.819 231 L CB 1.082 43.278 42.059 0.228 0.000 1.227 231 L HN 0.451 nan 8.230 nan 0.000 0.417 232 R N 5.667 126.238 120.500 0.118 0.000 2.265 232 R HA 0.627 4.973 4.340 0.009 0.000 0.319 232 R C -1.655 174.645 176.300 -0.001 0.000 1.006 232 R CA -0.530 55.607 56.100 0.061 0.000 0.880 232 R CB 0.617 30.949 30.300 0.053 0.000 1.077 232 R HN 0.783 nan 8.270 nan 0.000 0.454 233 L N 5.632 126.846 121.223 -0.015 0.000 2.325 233 L HA 0.515 4.860 4.340 0.009 0.000 0.281 233 L C 0.018 176.845 176.870 -0.073 0.000 1.004 233 L CA -0.828 53.962 54.840 -0.084 0.000 0.823 233 L CB 1.918 43.913 42.059 -0.106 0.000 1.236 233 L HN 0.557 nan 8.230 nan 0.000 0.415 234 R N 4.624 125.070 120.500 -0.089 0.000 2.287 234 R HA 0.445 4.791 4.340 0.009 0.000 0.327 234 R C -0.924 175.310 176.300 -0.110 0.000 1.109 234 R CA -0.461 55.609 56.100 -0.050 0.000 1.013 234 R CB 0.430 30.740 30.300 0.017 0.000 1.126 234 R HN 0.507 nan 8.270 nan 0.000 0.503 235 L N 4.305 125.452 121.223 -0.127 0.000 2.319 235 L HA 0.329 4.674 4.340 0.009 0.000 0.280 235 L C -0.361 176.418 176.870 -0.152 0.000 1.099 235 L CA -0.668 54.043 54.840 -0.215 0.000 0.828 235 L CB 0.699 42.559 42.059 -0.332 0.000 1.150 235 L HN 0.340 nan 8.230 nan 0.000 0.442 236 L N 4.260 125.371 121.223 -0.188 0.000 2.381 236 L HA 0.448 4.794 4.340 0.009 0.000 0.274 236 L C -0.452 176.288 176.870 -0.217 0.000 0.988 236 L CA -0.321 54.341 54.840 -0.297 0.000 0.824 236 L CB 1.593 43.370 42.059 -0.471 0.000 1.263 236 L HN 0.444 nan 8.230 nan 0.000 0.410 237 N N 3.264 121.841 118.700 -0.205 0.000 2.415 237 N HA 0.309 5.055 4.740 0.009 0.000 0.250 237 N C 0.623 175.928 175.510 -0.343 0.000 1.127 237 N CA 0.375 53.335 53.050 -0.151 0.000 0.945 237 N CB 1.300 39.752 38.487 -0.059 0.000 1.196 237 N HN 0.852 nan 8.380 nan 0.000 0.499 238 G N 2.320 110.937 108.800 -0.306 0.000 3.371 238 G HA2 0.074 4.039 3.960 0.009 0.000 0.248 238 G HA3 0.074 4.039 3.960 0.009 0.000 0.248 238 G C 0.362 175.219 174.900 -0.072 0.000 1.161 238 G CA -0.209 44.698 45.100 -0.322 0.000 0.796 238 G HN 0.573 nan 8.290 nan 0.000 0.539 239 C N 0.358 119.626 119.300 -0.053 0.000 2.657 239 C HA 0.175 4.640 4.460 0.009 0.000 0.404 239 C C 1.822 176.866 174.990 0.090 0.000 1.291 239 C CA -0.443 58.581 59.018 0.009 0.000 2.218 239 C CB 0.876 28.579 27.740 -0.061 0.000 2.687 239 C HN 0.476 nan 8.230 nan 0.000 0.634 240 N N 0.786 119.582 118.700 0.160 0.000 2.188 240 N HA -0.017 4.729 4.740 0.009 0.000 0.184 240 N C 1.179 176.778 175.510 0.149 0.000 1.018 240 N CA 1.676 54.844 53.050 0.197 0.000 0.858 240 N CB -0.030 38.659 38.487 0.337 0.000 0.989 240 N HN 0.830 nan 8.380 nan 0.000 0.426 241 A N -1.175 121.701 122.820 0.094 0.000 2.644 241 A HA 0.199 4.524 4.320 0.009 0.000 0.193 241 A C 0.577 178.122 177.584 -0.065 0.000 1.464 241 A CA -0.406 51.646 52.037 0.025 0.000 1.095 241 A CB 0.305 19.340 19.000 0.058 0.000 1.405 241 A HN 0.092 nan 8.150 nan 0.000 0.558 242 R N 1.992 122.426 120.500 -0.110 0.000 2.234 242 R HA 0.420 4.766 4.340 0.009 0.000 0.324 242 R C 0.038 176.218 176.300 -0.200 0.000 1.054 242 R CA 0.568 56.530 56.100 -0.229 0.000 0.912 242 R CB 0.550 30.645 30.300 -0.341 0.000 1.030 242 R HN 0.413 nan 8.270 nan 0.000 0.455 243 S N 4.493 120.075 115.700 -0.197 0.000 2.592 243 S HA 0.371 4.846 4.470 0.009 0.000 0.271 243 S C 0.086 174.542 174.600 -0.239 0.000 1.326 243 S CA -0.699 57.403 58.200 -0.164 0.000 1.024 243 S CB 1.033 64.163 63.200 -0.117 0.000 0.921 243 S HN 0.524 nan 8.310 nan 0.000 0.527 244 L N 1.252 122.325 121.223 -0.250 0.000 2.279 244 L HA 0.643 4.989 4.340 0.009 0.000 0.262 244 L C -0.478 176.144 176.870 -0.412 0.000 1.019 244 L CA -0.922 53.670 54.840 -0.414 0.000 0.823 244 L CB 1.811 43.496 42.059 -0.623 0.000 1.358 244 L HN 0.750 nan 8.230 nan 0.000 0.432 245 N N 0.742 119.132 118.700 -0.517 0.000 2.621 245 N HA 0.336 5.081 4.740 0.009 0.000 0.271 245 N C -1.488 173.824 175.510 -0.330 0.000 1.181 245 N CA -0.346 52.505 53.050 -0.331 0.000 0.805 245 N CB 0.587 38.967 38.487 -0.178 0.000 1.351 245 N HN 0.234 nan 8.380 nan 0.000 0.539 246 F N 1.799 121.723 119.950 -0.044 0.000 2.418 246 F HA 0.729 5.261 4.527 0.010 0.000 0.341 246 F C 1.198 176.974 175.800 -0.039 0.000 1.120 246 F CA 0.085 58.068 58.000 -0.030 0.000 1.232 246 F CB 1.248 40.232 39.000 -0.026 0.000 1.175 246 F HN 0.498 nan 8.300 nan 0.000 0.569 247 A N 0.572 123.505 122.820 0.189 0.000 2.515 247 A HA 0.764 5.090 4.320 0.009 0.000 0.299 247 A C -0.773 176.892 177.584 0.134 0.000 1.179 247 A CA -0.489 51.609 52.037 0.101 0.000 0.656 247 A CB 1.049 20.072 19.000 0.038 0.000 1.306 247 A HN 0.696 nan 8.150 nan 0.000 0.459 248 T N -1.869 112.744 114.554 0.098 0.000 2.918 248 T HA 0.539 4.895 4.350 0.009 0.000 0.286 248 T C 1.079 175.850 174.700 0.119 0.000 1.026 248 T CA 0.270 62.465 62.100 0.158 0.000 1.031 248 T CB 1.390 70.320 68.868 0.104 0.000 1.046 248 T HN 1.625 nan 8.240 nan 0.000 0.479 249 S N 0.573 116.377 115.700 0.174 0.000 2.419 249 S HA -0.126 4.350 4.470 0.009 0.000 0.233 249 S C 1.025 175.670 174.600 0.074 0.000 1.016 249 S CA 1.122 59.391 58.200 0.115 0.000 0.974 249 S CB -0.624 62.659 63.200 0.139 0.000 0.786 249 S HN 0.919 nan 8.310 nan 0.000 0.492 250 D N 0.303 120.739 120.400 0.060 0.000 2.501 250 D HA 0.174 4.819 4.640 0.009 0.000 0.226 250 D C -0.015 176.265 176.300 -0.034 0.000 1.198 250 D CA -0.429 53.576 54.000 0.009 0.000 0.830 250 D CB -0.905 39.900 40.800 0.008 0.000 1.014 250 D HN 0.209 nan 8.370 nan 0.000 0.496 251 N N 0.820 119.502 118.700 -0.031 0.000 2.800 251 N HA -0.202 4.544 4.740 0.009 0.000 0.250 251 N C -0.223 175.240 175.510 -0.078 0.000 1.078 251 N CA 0.869 53.892 53.050 -0.046 0.000 0.804 251 N CB -1.507 36.958 38.487 -0.037 0.000 1.135 251 N HN 0.674 nan 8.380 nan 0.000 0.565 252 R N 0.763 121.188 120.500 -0.126 0.000 2.643 252 R HA 0.376 4.722 4.340 0.009 0.000 0.270 252 R C -2.368 173.862 176.300 -0.116 0.000 1.061 252 R CA -0.875 55.140 56.100 -0.142 0.000 1.107 252 R CB 0.139 30.288 30.300 -0.251 0.000 0.999 252 R HN -0.038 nan 8.270 nan 0.000 0.460 253 P HA 0.146 nan 4.420 nan 0.000 0.276 253 P C -0.705 176.484 177.300 -0.186 0.000 1.252 253 P CA -0.418 62.561 63.100 -0.202 0.000 0.802 253 P CB 0.778 32.262 31.700 -0.359 0.000 1.035 254 L N 1.252 122.323 121.223 -0.254 0.000 2.329 254 L HA 0.394 4.740 4.340 0.009 0.000 0.279 254 L C -0.353 176.330 176.870 -0.313 0.000 1.014 254 L CA -0.873 53.874 54.840 -0.155 0.000 0.814 254 L CB 0.913 42.913 42.059 -0.100 0.000 1.257 254 L HN 0.319 nan 8.230 nan 0.000 0.424 255 Y N 2.084 122.357 120.300 -0.045 0.000 2.417 255 Y HA 0.306 4.865 4.550 0.015 0.000 0.336 255 Y C 0.137 175.980 175.900 -0.096 0.000 0.961 255 Y CA -0.755 57.288 58.100 -0.095 0.000 1.215 255 Y CB 1.357 39.712 38.460 -0.175 0.000 1.120 255 Y HN 0.187 nan 8.280 nan 0.000 0.499 256 V N 6.003 125.916 119.914 -0.002 0.000 2.479 256 V HA -0.004 4.121 4.120 0.009 0.000 0.281 256 V C 1.086 177.224 176.094 0.073 0.000 1.031 256 V CA 0.266 62.578 62.300 0.020 0.000 1.038 256 V CB 0.260 32.063 31.823 -0.033 0.000 0.981 256 V HN 0.865 nan 8.190 nan 0.000 0.478 257 I N 1.723 122.342 120.570 0.081 0.000 4.181 257 I HA 0.768 4.943 4.170 0.009 0.000 0.331 257 I C 0.655 176.833 176.117 0.102 0.000 1.312 257 I CA 0.152 61.491 61.300 0.064 0.000 1.146 257 I CB 0.510 38.516 38.000 0.011 0.000 1.074 257 I HN 0.537 nan 8.210 nan 0.000 0.402 258 A N 0.834 123.746 122.820 0.152 0.000 2.604 258 A HA 0.771 5.097 4.320 0.009 0.000 0.295 258 A C -0.318 177.390 177.584 0.206 0.000 1.067 258 A CA 0.012 52.141 52.037 0.154 0.000 0.683 258 A CB 1.197 20.259 19.000 0.103 0.000 1.281 258 A HN 0.308 nan 8.150 nan 0.000 0.407 259 S N 0.002 115.770 115.700 0.114 0.000 2.721 259 S HA 0.524 4.999 4.470 0.009 0.000 0.296 259 S C 0.235 174.738 174.600 -0.161 0.000 1.093 259 S CA -0.007 58.124 58.200 -0.116 0.000 0.959 259 S CB 0.356 63.529 63.200 -0.044 0.000 1.301 259 S HN 0.546 nan 8.310 nan 0.000 0.550 260 D N 1.311 121.560 120.400 -0.251 0.000 2.149 260 D HA -0.060 4.585 4.640 0.009 0.000 0.194 260 D C 1.644 177.934 176.300 -0.016 0.000 1.001 260 D CA 1.955 55.876 54.000 -0.132 0.000 0.849 260 D CB -0.849 39.888 40.800 -0.104 0.000 0.939 260 D HN 0.755 nan 8.370 nan 0.000 0.449 261 G N -1.079 107.742 108.800 0.035 0.000 3.233 261 G HA2 0.465 4.431 3.960 0.009 0.000 0.234 261 G HA3 0.465 4.431 3.960 0.009 0.000 0.234 261 G C 0.639 175.585 174.900 0.077 0.000 1.137 261 G CA 0.448 45.582 45.100 0.058 0.000 0.763 261 G HN 0.635 nan 8.290 nan 0.000 0.549 262 G N -0.513 108.357 108.800 0.117 0.000 2.325 262 G HA2 0.042 4.008 3.960 0.009 0.000 0.285 262 G HA3 0.042 4.008 3.960 0.009 0.000 0.285 262 G C -0.678 174.320 174.900 0.162 0.000 1.303 262 G CA -1.045 44.126 45.100 0.117 0.000 0.970 262 G HN 0.354 nan 8.290 nan 0.000 0.490 263 L N 0.833 122.145 121.223 0.148 0.000 2.483 263 L HA 0.316 4.662 4.340 0.009 0.000 0.276 263 L C 1.123 178.082 176.870 0.148 0.000 1.213 263 L CA -0.263 54.654 54.840 0.128 0.000 0.843 263 L CB 0.150 42.267 42.059 0.097 0.000 1.107 263 L HN 0.424 nan 8.230 nan 0.000 0.487 264 L N 3.932 125.222 121.223 0.112 0.000 2.475 264 L HA 0.178 4.524 4.340 0.009 0.000 0.253 264 L C -1.170 175.737 176.870 0.061 0.000 1.198 264 L CA -1.505 53.385 54.840 0.083 0.000 0.814 264 L CB 0.173 42.285 42.059 0.090 0.000 1.134 264 L HN 0.471 nan 8.230 nan 0.000 0.478 265 P HA -0.109 nan 4.420 nan 0.000 0.219 265 P C -0.344 176.972 177.300 0.026 0.000 1.150 265 P CA 1.271 64.389 63.100 0.029 0.000 0.814 265 P CB 0.165 31.872 31.700 0.010 0.000 0.787 266 E N -1.845 118.372 120.200 0.027 0.000 2.430 266 E HA 0.511 4.867 4.350 0.009 0.000 0.279 266 E C -3.266 173.353 176.600 0.030 0.000 1.003 266 E CA -2.882 53.529 56.400 0.020 0.000 0.801 266 E CB 0.818 30.527 29.700 0.016 0.000 1.313 266 E HN -0.240 nan 8.360 nan 0.000 0.459 267 P HA 0.072 nan 4.420 nan 0.000 0.269 267 P C -0.857 176.490 177.300 0.078 0.000 1.209 267 P CA -0.287 62.842 63.100 0.048 0.000 0.776 267 P CB 0.619 32.333 31.700 0.024 0.000 0.876 268 V N 3.694 123.652 119.914 0.073 0.000 2.378 268 V HA 0.254 4.379 4.120 0.009 0.000 0.288 268 V C 0.370 176.439 176.094 -0.042 0.000 1.016 268 V CA -0.701 61.622 62.300 0.038 0.000 0.840 268 V CB 1.245 33.102 31.823 0.057 0.000 0.994 268 V HN 0.439 nan 8.190 nan 0.000 0.431 269 K N 4.735 125.091 120.400 -0.073 0.000 2.339 269 K HA 0.578 4.903 4.320 0.009 0.000 0.286 269 K C -0.583 175.854 176.600 -0.273 0.000 1.050 269 K CA -0.246 55.862 56.287 -0.300 0.000 0.956 269 K CB 1.147 33.486 32.500 -0.268 0.000 0.990 269 K HN 0.649 nan 8.250 nan 0.000 0.475 270 V N 0.394 120.107 119.914 -0.335 0.000 3.040 270 V HA 0.398 4.524 4.120 0.009 0.000 0.312 270 V C 0.133 176.089 176.094 -0.230 0.000 1.115 270 V CA -0.694 61.445 62.300 -0.269 0.000 0.998 270 V CB 1.945 33.558 31.823 -0.350 0.000 1.042 270 V HN 0.745 nan 8.190 nan 0.000 0.433 271 S N 1.013 116.616 115.700 -0.163 0.000 2.503 271 S HA 0.222 4.698 4.470 0.009 0.000 0.215 271 S C 0.325 174.868 174.600 -0.096 0.000 1.003 271 S CA 0.568 58.694 58.200 -0.122 0.000 0.910 271 S CB -0.250 62.896 63.200 -0.089 0.000 0.790 271 S HN 0.982 nan 8.310 nan 0.000 0.514 272 E N 0.267 120.400 120.200 -0.111 0.000 2.390 272 E HA 0.589 4.945 4.350 0.009 0.000 0.277 272 E C -1.653 174.865 176.600 -0.137 0.000 0.939 272 E CA -0.982 55.368 56.400 -0.085 0.000 0.769 272 E CB 1.456 31.119 29.700 -0.063 0.000 1.251 272 E HN 0.012 nan 8.360 nan 0.000 0.450 273 L N 2.089 123.255 121.223 -0.095 0.000 2.492 273 L HA 0.449 4.795 4.340 0.009 0.000 0.258 273 L C -2.901 173.937 176.870 -0.054 0.000 1.028 273 L CA -1.776 52.973 54.840 -0.152 0.000 0.900 273 L CB 1.451 43.413 42.059 -0.162 0.000 1.191 273 L HN 0.381 nan 8.230 nan 0.000 0.459 274 P HA 0.183 nan 4.420 nan 0.000 0.265 274 P C -1.175 176.180 177.300 0.092 0.000 1.193 274 P CA 0.153 63.247 63.100 -0.010 0.000 0.765 274 P CB 0.898 32.610 31.700 0.020 0.000 0.823 275 V N 4.995 124.964 119.914 0.093 0.000 2.569 275 V HA 0.278 4.404 4.120 0.009 0.000 0.301 275 V C 0.283 176.440 176.094 0.105 0.000 1.044 275 V CA -0.607 61.841 62.300 0.247 0.000 0.874 275 V CB 1.463 33.519 31.823 0.389 0.000 1.002 275 V HN 0.381 nan 8.190 nan 0.000 0.424 276 L N 3.511 124.810 121.223 0.128 0.000 2.468 276 L HA 0.489 4.835 4.340 0.009 0.000 0.254 276 L C 0.274 177.153 176.870 0.015 0.000 1.171 276 L CA -0.753 54.125 54.840 0.064 0.000 0.809 276 L CB 0.604 42.727 42.059 0.107 0.000 1.155 276 L HN 0.496 nan 8.230 nan 0.000 0.473 277 M N 1.333 120.944 119.600 0.019 0.000 2.269 277 M HA 0.178 4.664 4.480 0.009 0.000 0.350 277 M C 0.978 177.210 176.300 -0.113 0.000 1.429 277 M CA 1.146 56.448 55.300 0.004 0.000 1.063 277 M CB -0.085 32.592 32.600 0.128 0.000 1.841 277 M HN 0.800 nan 8.290 nan 0.000 0.455 278 G N 1.415 110.054 108.800 -0.268 0.000 2.217 278 G HA2 -0.203 3.763 3.960 0.009 0.000 0.246 278 G HA3 -0.203 3.763 3.960 0.009 0.000 0.246 278 G C 0.107 174.761 174.900 -0.411 0.000 0.990 278 G CA -0.164 44.669 45.100 -0.446 0.000 0.627 278 G HN 0.629 nan 8.290 nan 0.000 0.522 279 E N 0.270 120.313 120.200 -0.261 0.000 2.373 279 E HA 0.588 4.944 4.350 0.009 0.000 0.263 279 E C 0.309 176.729 176.600 -0.300 0.000 1.073 279 E CA -0.181 56.082 56.400 -0.228 0.000 0.894 279 E CB 0.520 30.161 29.700 -0.099 0.000 1.008 279 E HN 0.274 nan 8.360 nan 0.000 0.420 280 R N 1.199 121.482 120.500 -0.361 0.000 2.750 280 R HA 0.538 4.884 4.340 0.009 0.000 0.281 280 R C -1.298 174.709 176.300 -0.488 0.000 0.972 280 R CA -0.482 55.440 56.100 -0.297 0.000 0.912 280 R CB 1.039 31.216 30.300 -0.203 0.000 1.187 280 R HN 0.331 nan 8.270 nan 0.000 0.464 281 F N -0.031 119.908 119.950 -0.017 0.000 2.588 281 F HA 0.424 4.956 4.527 0.008 0.000 0.310 281 F C -0.021 175.764 175.800 -0.024 0.000 1.082 281 F CA -0.775 57.231 58.000 0.011 0.000 0.929 281 F CB 2.316 41.341 39.000 0.041 0.000 1.254 281 F HN 0.302 nan 8.300 nan 0.000 0.455 282 E N 2.086 122.400 120.200 0.190 0.000 2.179 282 E HA 0.643 4.999 4.350 0.009 0.000 0.275 282 E C -1.171 175.486 176.600 0.094 0.000 0.945 282 E CA -0.953 55.506 56.400 0.099 0.000 0.792 282 E CB 2.505 32.250 29.700 0.075 0.000 1.125 282 E HN 0.425 nan 8.360 nan 0.000 0.397 283 V N 0.130 120.071 119.914 0.045 0.000 2.962 283 V HA 0.582 4.708 4.120 0.009 0.000 0.313 283 V C -1.094 175.031 176.094 0.051 0.000 1.099 283 V CA -1.144 61.179 62.300 0.039 0.000 0.971 283 V CB 1.492 33.322 31.823 0.012 0.000 1.028 283 V HN 0.395 nan 8.190 nan 0.000 0.430 284 L N 3.139 124.401 121.223 0.064 0.000 2.325 284 L HA 0.843 5.188 4.340 0.009 0.000 0.278 284 L C -0.113 176.955 176.870 0.330 0.000 1.023 284 L CA -0.158 54.748 54.840 0.111 0.000 0.811 284 L CB 1.626 43.560 42.059 -0.209 0.000 1.249 284 L HN 0.785 nan 8.230 nan 0.000 0.431 285 V N 2.837 123.018 119.914 0.445 0.000 2.876 285 V HA 0.480 4.606 4.120 0.009 0.000 0.312 285 V C -0.545 175.834 176.094 0.476 0.000 1.085 285 V CA -0.607 61.968 62.300 0.459 0.000 0.945 285 V CB 2.151 34.155 31.823 0.302 0.000 1.017 285 V HN 0.878 nan 8.190 nan 0.000 0.428 286 E N 3.501 123.849 120.200 0.246 0.000 2.331 286 E HA 0.535 4.891 4.350 0.009 0.000 0.272 286 E C -1.446 175.123 176.600 -0.051 0.000 1.036 286 E CA -0.390 55.928 56.400 -0.137 0.000 0.864 286 E CB 1.623 31.122 29.700 -0.335 0.000 1.035 286 E HN 0.573 nan 8.360 nan 0.000 0.408 287 V N 5.391 125.282 119.914 -0.037 0.000 2.444 287 V HA 0.331 4.457 4.120 0.009 0.000 0.294 287 V C -0.420 175.662 176.094 -0.020 0.000 1.022 287 V CA -0.949 61.404 62.300 0.087 0.000 0.850 287 V CB 1.529 33.436 31.823 0.140 0.000 0.992 287 V HN 0.670 nan 8.190 nan 0.000 0.426 288 N N 2.400 121.107 118.700 0.011 0.000 2.314 288 N HA 0.394 5.140 4.740 0.009 0.000 0.304 288 N C -1.041 174.472 175.510 0.006 0.000 1.073 288 N CA -0.747 52.287 53.050 -0.027 0.000 0.822 288 N CB 2.083 40.539 38.487 -0.051 0.000 1.280 288 N HN 0.562 nan 8.380 nan 0.000 0.489 289 D N 1.070 121.463 120.400 -0.011 0.000 2.449 289 D HA 0.052 4.698 4.640 0.009 0.000 0.236 289 D C 0.793 177.096 176.300 0.006 0.000 1.149 289 D CA 0.741 54.739 54.000 -0.003 0.000 0.878 289 D CB 0.231 41.023 40.800 -0.013 0.000 1.198 289 D HN 0.425 nan 8.370 nan 0.000 0.446 290 N N 0.280 118.986 118.700 0.010 0.000 2.909 290 N HA -0.249 4.497 4.740 0.009 0.000 0.242 290 N C -0.169 175.358 175.510 0.028 0.000 0.975 290 N CA 0.862 53.918 53.050 0.011 0.000 0.921 290 N CB -0.893 37.596 38.487 0.003 0.000 1.112 290 N HN 0.437 nan 8.380 nan 0.000 0.581 291 K N 0.937 121.370 120.400 0.054 0.000 2.624 291 K HA 0.337 4.662 4.320 0.009 0.000 0.200 291 K C -2.737 173.967 176.600 0.173 0.000 1.036 291 K CA -1.460 54.880 56.287 0.089 0.000 1.029 291 K CB 1.319 33.864 32.500 0.075 0.000 1.317 291 K HN -0.169 nan 8.250 nan 0.000 0.555 292 P HA 0.101 nan 4.420 nan 0.000 0.268 292 P C -0.961 176.469 177.300 0.216 0.000 1.208 292 P CA -0.030 63.124 63.100 0.090 0.000 0.777 292 P CB 0.277 31.984 31.700 0.011 0.000 0.875 293 F N -1.553 118.419 119.950 0.036 0.000 2.686 293 F HA 0.603 5.136 4.527 0.010 0.000 0.311 293 F C -1.240 174.607 175.800 0.077 0.000 1.128 293 F CA -1.166 56.863 58.000 0.048 0.000 0.946 293 F CB 1.087 40.110 39.000 0.039 0.000 1.336 293 F HN 0.042 nan 8.300 nan 0.000 0.457 294 D N 1.887 122.393 120.400 0.177 0.000 2.185 294 D HA 0.361 5.006 4.640 0.009 0.000 0.247 294 D C -1.036 175.386 176.300 0.203 0.000 1.027 294 D CA -0.335 53.725 54.000 0.100 0.000 0.861 294 D CB 2.844 43.725 40.800 0.135 0.000 1.202 294 D HN 0.630 nan 8.370 nan 0.000 0.453 295 L N 2.929 124.229 121.223 0.129 0.000 2.360 295 L HA 0.214 4.560 4.340 0.009 0.000 0.276 295 L C -0.359 176.614 176.870 0.171 0.000 1.121 295 L CA 0.025 54.977 54.840 0.187 0.000 0.845 295 L CB 0.727 42.864 42.059 0.130 0.000 1.143 295 L HN 0.217 nan 8.230 nan 0.000 0.452 296 V N 1.538 121.565 119.914 0.188 0.000 3.126 296 V HA 0.776 4.902 4.120 0.009 0.000 0.314 296 V C -0.353 175.825 176.094 0.140 0.000 1.138 296 V CA -0.475 61.905 62.300 0.133 0.000 1.034 296 V CB 1.787 33.654 31.823 0.074 0.000 1.075 296 V HN 0.822 nan 8.190 nan 0.000 0.442 297 T N 1.952 116.537 114.554 0.051 0.000 2.824 297 T HA 0.674 5.030 4.350 0.009 0.000 0.282 297 T C -0.692 173.983 174.700 -0.040 0.000 0.993 297 T CA -0.515 61.525 62.100 -0.100 0.000 0.967 297 T CB 0.728 69.445 68.868 -0.251 0.000 0.960 297 T HN 0.739 nan 8.240 nan 0.000 0.441 298 L N 5.508 126.683 121.223 -0.080 0.000 2.379 298 L HA 0.477 4.822 4.340 0.009 0.000 0.269 298 L C -2.042 174.794 176.870 -0.056 0.000 1.084 298 L CA -2.498 52.315 54.840 -0.047 0.000 0.802 298 L CB 0.942 42.970 42.059 -0.052 0.000 1.175 298 L HN 0.476 nan 8.230 nan 0.000 0.448 299 P HA 0.003 nan 4.420 nan 0.000 0.265 299 P C -0.804 176.450 177.300 -0.078 0.000 1.193 299 P CA -0.097 62.978 63.100 -0.042 0.000 0.765 299 P CB 0.621 32.303 31.700 -0.029 0.000 0.823 300 V N 0.299 120.146 119.914 -0.111 0.000 2.732 300 V HA 0.483 4.609 4.120 0.009 0.000 0.310 300 V C 0.222 176.247 176.094 -0.115 0.000 1.053 300 V CA -0.523 61.705 62.300 -0.121 0.000 0.957 300 V CB 1.990 33.718 31.823 -0.158 0.000 1.018 300 V HN 0.308 nan 8.190 nan 0.000 0.452 301 S N 3.292 118.935 115.700 -0.095 0.000 4.120 301 S HA 0.311 4.786 4.470 0.009 0.000 0.196 301 S C -0.136 174.406 174.600 -0.097 0.000 1.447 301 S CA -0.067 58.082 58.200 -0.085 0.000 0.939 301 S CB -0.928 62.237 63.200 -0.058 0.000 1.496 301 S HN 0.843 nan 8.310 nan 0.000 0.460 302 Q N 2.022 121.741 119.800 -0.135 0.000 2.331 302 Q HA 0.416 4.762 4.340 0.009 0.000 0.272 302 Q C -0.831 175.054 176.000 -0.191 0.000 1.062 302 Q CA -0.744 54.967 55.803 -0.153 0.000 0.806 302 Q CB 1.185 29.815 28.738 -0.181 0.000 1.312 302 Q HN 0.397 nan 8.270 nan 0.000 0.431 303 M N 2.173 121.678 119.600 -0.158 0.000 2.260 303 M HA 0.020 4.506 4.480 0.009 0.000 0.348 303 M C 1.130 177.261 176.300 -0.282 0.000 1.342 303 M CA 2.057 57.261 55.300 -0.159 0.000 1.040 303 M CB 0.021 32.572 32.600 -0.082 0.000 1.810 303 M HN 1.124 nan 8.290 nan 0.000 0.453 304 G N 3.071 111.672 108.800 -0.331 0.000 2.234 304 G HA2 -0.247 3.718 3.960 0.009 0.000 0.260 304 G HA3 -0.247 3.718 3.960 0.009 0.000 0.260 304 G C 0.567 174.879 174.900 -0.980 0.000 0.987 304 G CA 0.152 44.874 45.100 -0.629 0.000 0.625 304 G HN 0.604 nan 8.290 nan 0.000 0.532 305 M N 0.395 119.592 119.600 -0.672 0.000 2.495 305 M HA 0.514 5.000 4.480 0.009 0.000 0.237 305 M C 1.881 177.955 176.300 -0.378 0.000 1.131 305 M CA 0.803 55.714 55.300 -0.648 0.000 1.032 305 M CB 0.073 32.364 32.600 -0.514 0.000 1.513 305 M HN 0.752 nan 8.290 nan 0.000 0.488 306 A N 0.662 123.322 122.820 -0.267 0.000 2.713 306 A HA 0.384 4.709 4.320 0.009 0.000 0.296 306 A C 0.352 177.886 177.584 -0.084 0.000 1.255 306 A CA -0.341 51.626 52.037 -0.117 0.000 0.955 306 A CB -0.062 18.878 19.000 -0.100 0.000 1.149 306 A HN 0.148 nan 8.150 nan 0.000 0.538 307 I N 1.400 121.896 120.570 -0.123 0.000 2.496 307 I HA 0.260 4.435 4.170 0.009 0.000 0.285 307 I C 1.159 177.291 176.117 0.026 0.000 1.080 307 I CA -0.684 60.567 61.300 -0.082 0.000 1.404 307 I CB 0.299 38.165 38.000 -0.222 0.000 1.403 307 I HN 0.367 nan 8.210 nan 0.000 0.539 308 A N 9.581 132.409 122.820 0.013 0.000 2.587 308 A HA 0.200 4.525 4.320 0.009 0.000 0.235 308 A C -1.393 176.176 177.584 -0.025 0.000 1.044 308 A CA -0.389 51.642 52.037 -0.011 0.000 0.754 308 A CB -0.580 18.412 19.000 -0.013 0.000 0.968 308 A HN 0.688 nan 8.150 nan 0.000 0.509 309 P HA 0.167 nan 4.420 nan 0.000 0.261 309 P C 0.128 177.282 177.300 -0.244 0.000 1.352 309 P CA 0.279 63.251 63.100 -0.214 0.000 0.891 309 P CB 0.042 31.571 31.700 -0.285 0.000 1.383 310 F N 1.520 121.484 119.950 0.023 0.000 2.797 310 F HA 0.008 4.540 4.527 0.009 0.000 0.302 310 F C 1.756 177.515 175.800 -0.069 0.000 1.130 310 F CA 0.352 58.331 58.000 -0.035 0.000 1.387 310 F CB -0.496 38.420 39.000 -0.139 0.000 1.107 310 F HN -0.015 nan 8.300 nan 0.000 0.577 311 D N -0.203 120.227 120.400 0.051 0.000 2.347 311 D HA -0.070 4.575 4.640 0.009 0.000 0.215 311 D C 0.325 176.623 176.300 -0.004 0.000 0.976 311 D CA 0.587 54.592 54.000 0.008 0.000 0.884 311 D CB 0.003 40.797 40.800 -0.011 0.000 0.915 311 D HN 0.216 nan 8.370 nan 0.000 0.526 312 K N 0.009 120.405 120.400 -0.006 0.000 2.400 312 K HA 0.498 4.823 4.320 0.009 0.000 0.246 312 K C -2.800 173.799 176.600 -0.001 0.000 0.995 312 K CA -2.338 53.937 56.287 -0.020 0.000 0.840 312 K CB 1.839 34.310 32.500 -0.048 0.000 1.293 312 K HN -0.232 nan 8.250 nan 0.000 0.445 313 P HA -0.086 nan 4.420 nan 0.000 0.264 313 P C -1.294 176.007 177.300 0.002 0.000 1.183 313 P CA 0.448 63.552 63.100 0.006 0.000 0.763 313 P CB 0.215 31.910 31.700 -0.008 0.000 0.807 314 H N 3.671 122.692 119.070 -0.081 0.000 2.529 314 H HA 0.414 4.976 4.556 0.009 0.000 0.348 314 H C -2.376 172.858 175.328 -0.157 0.000 1.079 314 H CA -2.554 53.404 56.048 -0.149 0.000 1.198 314 H CB 1.609 31.276 29.762 -0.158 0.000 1.521 314 H HN 0.264 nan 8.280 nan 0.000 0.514 315 P HA -0.055 nan 4.420 nan 0.000 0.271 315 P C -0.097 177.151 177.300 -0.086 0.000 1.216 315 P CA -0.002 62.902 63.100 -0.327 0.000 0.776 315 P CB 2.219 33.268 31.700 -1.086 0.000 0.881 316 V N 2.775 122.696 119.914 0.012 0.000 2.806 316 V HA 0.180 4.306 4.120 0.009 0.000 0.239 316 V C 1.034 177.230 176.094 0.170 0.000 1.113 316 V CA 1.340 63.719 62.300 0.131 0.000 1.137 316 V CB -0.347 31.611 31.823 0.225 0.000 0.865 316 V HN 0.664 nan 8.190 nan 0.000 0.482 317 M N -0.621 119.090 119.600 0.184 0.000 2.643 317 M HA 0.667 5.153 4.480 0.009 0.000 0.276 317 M C -1.092 175.343 176.300 0.224 0.000 1.200 317 M CA -0.864 54.598 55.300 0.270 0.000 0.863 317 M CB 2.263 34.943 32.600 0.134 0.000 1.711 317 M HN -0.024 nan 8.290 nan 0.000 0.492 318 R N 1.647 122.255 120.500 0.180 0.000 2.254 318 R HA 0.705 5.051 4.340 0.009 0.000 0.318 318 R C -1.939 174.273 176.300 -0.147 0.000 1.031 318 R CA -0.092 56.007 56.100 -0.001 0.000 0.905 318 R CB 0.509 30.767 30.300 -0.071 0.000 1.050 318 R HN 0.748 nan 8.270 nan 0.000 0.456 319 I N 3.832 124.175 120.570 -0.378 0.000 2.315 319 I HA 0.230 4.406 4.170 0.009 0.000 0.291 319 I C -0.187 175.738 176.117 -0.319 0.000 1.006 319 I CA -0.165 60.877 61.300 -0.431 0.000 1.265 319 I CB 1.544 39.034 38.000 -0.850 0.000 1.387 319 I HN 0.536 nan 8.210 nan 0.000 0.475 320 Q N 8.938 128.626 119.800 -0.186 0.000 2.372 320 Q HA 0.469 4.814 4.340 0.009 0.000 0.259 320 Q C -2.504 173.442 176.000 -0.090 0.000 0.993 320 Q CA -2.052 53.676 55.803 -0.124 0.000 0.854 320 Q CB 1.326 29.989 28.738 -0.124 0.000 1.231 320 Q HN 0.237 nan 8.270 nan 0.000 0.462 321 P HA 0.123 nan 4.420 nan 0.000 0.271 321 P C -0.794 176.488 177.300 -0.030 0.000 1.216 321 P CA -0.052 63.045 63.100 -0.006 0.000 0.771 321 P CB 0.659 32.380 31.700 0.035 0.000 0.864 322 I N 1.926 122.476 120.570 -0.034 0.000 2.433 322 I HA 0.287 4.462 4.170 0.009 0.000 0.292 322 I C 0.779 176.883 176.117 -0.023 0.000 1.001 322 I CA -1.383 59.895 61.300 -0.036 0.000 1.119 322 I CB 1.314 39.283 38.000 -0.051 0.000 1.289 322 I HN 0.323 nan 8.210 nan 0.000 0.438 323 A N 8.047 130.855 122.820 -0.021 0.000 3.029 323 A HA 0.470 4.796 4.320 0.009 0.000 0.251 323 A C 0.187 177.762 177.584 -0.015 0.000 1.749 323 A CA 0.144 52.171 52.037 -0.017 0.000 1.386 323 A CB -0.970 18.020 19.000 -0.016 0.000 1.043 323 A HN 0.594 nan 8.150 nan 0.000 0.638 324 I N 0.414 120.975 120.570 -0.014 0.000 2.545 324 I HA 0.223 4.399 4.170 0.009 0.000 0.292 324 I C 0.491 176.604 176.117 -0.006 0.000 1.040 324 I CA -0.620 60.675 61.300 -0.008 0.000 1.068 324 I CB 2.329 40.326 38.000 -0.006 0.000 1.251 324 I HN 0.322 nan 8.210 nan 0.000 0.424 325 S N 5.386 121.083 115.700 -0.004 0.000 2.510 325 S HA 0.571 5.046 4.470 0.009 0.000 0.279 325 S C 0.071 174.677 174.600 0.010 0.000 1.284 325 S CA -0.598 57.599 58.200 -0.005 0.000 1.059 325 S CB 0.876 64.073 63.200 -0.006 0.000 0.901 325 S HN 0.665 nan 8.310 nan 0.000 0.491 326 A N 3.787 126.616 122.820 0.015 0.000 2.354 326 A HA 0.505 4.831 4.320 0.009 0.000 0.269 326 A C 1.233 178.853 177.584 0.059 0.000 1.109 326 A CA -0.133 51.931 52.037 0.045 0.000 0.800 326 A CB 0.305 19.343 19.000 0.062 0.000 1.045 326 A HN 1.479 nan 8.150 nan 0.000 0.489 327 S N 1.890 117.633 115.700 0.072 0.000 2.548 327 S HA 0.235 4.710 4.470 0.009 0.000 0.215 327 S C 0.968 175.631 174.600 0.105 0.000 0.976 327 S CA 0.273 58.518 58.200 0.075 0.000 0.908 327 S CB -0.358 62.878 63.200 0.060 0.000 0.781 327 S HN 1.224 nan 8.310 nan 0.000 0.519 328 G N 0.834 109.717 108.800 0.140 0.000 2.569 328 G HA2 0.587 4.552 3.960 0.009 0.000 0.249 328 G HA3 0.587 4.552 3.960 0.009 0.000 0.249 328 G C -0.292 174.749 174.900 0.236 0.000 1.216 328 G CA -0.160 45.034 45.100 0.156 0.000 0.845 328 G HN 0.681 nan 8.290 nan 0.000 0.568 329 A N 0.347 123.241 122.820 0.123 0.000 2.354 329 A HA 0.684 5.009 4.320 0.009 0.000 0.321 329 A C -0.858 176.598 177.584 -0.214 0.000 1.125 329 A CA -0.695 51.390 52.037 0.080 0.000 0.799 329 A CB 1.820 20.848 19.000 0.045 0.000 1.293 329 A HN 1.039 nan 8.150 nan 0.000 0.452 330 L N 2.552 123.538 121.223 -0.395 0.000 2.297 330 L HA 0.528 4.874 4.340 0.009 0.000 0.277 330 L C -2.357 174.351 176.870 -0.270 0.000 1.040 330 L CA -1.495 52.989 54.840 -0.593 0.000 0.867 330 L CB 0.597 41.968 42.059 -1.146 0.000 1.244 330 L HN 0.405 nan 8.230 nan 0.000 0.433 331 P HA 0.208 nan 4.420 nan 0.000 0.271 331 P C -0.065 177.181 177.300 -0.089 0.000 1.218 331 P CA -0.283 62.760 63.100 -0.095 0.000 0.780 331 P CB 0.772 32.433 31.700 -0.064 0.000 0.901 332 D N -0.305 120.064 120.400 -0.051 0.000 2.178 332 D HA -0.047 4.599 4.640 0.009 0.000 0.201 332 D C 0.212 176.498 176.300 -0.022 0.000 0.980 332 D CA 1.534 55.513 54.000 -0.034 0.000 0.842 332 D CB 0.065 40.857 40.800 -0.014 0.000 0.948 332 D HN 0.362 nan 8.370 nan 0.000 0.472 333 T N -0.520 114.024 114.554 -0.017 0.000 2.900 333 T HA 0.488 4.844 4.350 0.009 0.000 0.295 333 T C 1.083 175.780 174.700 -0.005 0.000 1.044 333 T CA -0.613 61.484 62.100 -0.005 0.000 0.995 333 T CB 2.396 71.266 68.868 0.003 0.000 1.072 333 T HN -0.199 nan 8.240 nan 0.000 0.473 334 L N 0.610 121.837 121.223 0.007 0.000 2.600 334 L HA 0.485 4.831 4.340 0.009 0.000 0.213 334 L C 0.975 177.863 176.870 0.030 0.000 1.045 334 L CA 0.029 54.877 54.840 0.013 0.000 0.863 334 L CB 0.561 42.631 42.059 0.019 0.000 1.189 334 L HN 0.632 nan 8.230 nan 0.000 0.484 335 S N -1.921 113.803 115.700 0.040 0.000 2.661 335 S HA 0.395 4.870 4.470 0.009 0.000 0.268 335 S C -1.507 173.126 174.600 0.056 0.000 1.162 335 S CA -0.433 57.801 58.200 0.057 0.000 0.817 335 S CB 1.768 65.020 63.200 0.087 0.000 1.141 335 S HN -0.081 nan 8.310 nan 0.000 0.477 336 S N 1.445 117.188 115.700 0.072 0.000 2.433 336 S HA 0.683 5.159 4.470 0.009 0.000 0.310 336 S C -1.140 173.516 174.600 0.094 0.000 1.097 336 S CA -0.487 57.753 58.200 0.067 0.000 1.103 336 S CB 0.425 63.663 63.200 0.064 0.000 0.992 336 S HN 0.541 nan 8.310 nan 0.000 0.469 337 L N 7.769 129.020 121.223 0.048 0.000 2.275 337 L HA 0.592 4.937 4.340 0.009 0.000 0.288 337 L C -1.868 175.007 176.870 0.008 0.000 1.046 337 L CA -1.586 53.261 54.840 0.012 0.000 0.805 337 L CB 0.890 42.882 42.059 -0.111 0.000 1.193 337 L HN 0.503 nan 8.230 nan 0.000 0.426 338 P HA 0.221 nan 4.420 nan 0.000 0.272 338 P C -0.905 176.376 177.300 -0.031 0.000 1.223 338 P CA -0.545 62.586 63.100 0.051 0.000 0.784 338 P CB 0.627 32.414 31.700 0.145 0.000 0.923 339 A N 2.810 125.616 122.820 -0.022 0.000 2.520 339 A HA 0.144 4.470 4.320 0.009 0.000 0.235 339 A C 0.250 177.782 177.584 -0.088 0.000 1.065 339 A CA -0.265 51.740 52.037 -0.052 0.000 0.764 339 A CB -0.419 18.562 19.000 -0.032 0.000 1.002 339 A HN 0.485 nan 8.150 nan 0.000 0.502 340 L N 4.231 125.382 121.223 -0.120 0.000 2.477 340 L HA 0.236 4.581 4.340 0.009 0.000 0.272 340 L C -1.274 175.502 176.870 -0.157 0.000 1.157 340 L CA -1.169 53.570 54.840 -0.168 0.000 0.889 340 L CB -0.498 41.473 42.059 -0.147 0.000 1.158 340 L HN 0.583 nan 8.230 nan 0.000 0.473 341 P HA 0.086 nan 4.420 nan 0.000 0.272 341 P C -0.053 177.170 177.300 -0.128 0.000 1.230 341 P CA -0.517 62.480 63.100 -0.172 0.000 0.788 341 P CB 0.647 32.184 31.700 -0.273 0.000 0.949 342 S N 0.358 116.020 115.700 -0.064 0.000 2.558 342 S HA -0.012 4.464 4.470 0.009 0.000 0.287 342 S C 1.382 175.957 174.600 -0.041 0.000 1.321 342 S CA -0.483 57.692 58.200 -0.041 0.000 1.048 342 S CB -0.152 63.040 63.200 -0.014 0.000 0.844 342 S HN 0.269 nan 8.310 nan 0.000 0.512 343 L N 2.598 123.801 121.223 -0.032 0.000 2.375 343 L HA 0.320 4.665 4.340 0.009 0.000 0.215 343 L C 1.158 178.028 176.870 -0.001 0.000 1.108 343 L CA 0.820 55.648 54.840 -0.021 0.000 0.830 343 L CB -1.466 40.580 42.059 -0.022 0.000 0.959 343 L HN 0.684 nan 8.230 nan 0.000 0.457 344 E N -0.112 120.088 120.200 -0.000 0.000 2.384 344 E HA 0.362 4.718 4.350 0.009 0.000 0.266 344 E C 1.264 177.875 176.600 0.017 0.000 1.012 344 E CA 0.903 57.307 56.400 0.007 0.000 0.901 344 E CB 0.279 29.982 29.700 0.004 0.000 0.967 344 E HN 0.337 nan 8.360 nan 0.000 0.435 345 G N 3.567 112.379 108.800 0.020 0.000 2.205 345 G HA2 -0.280 3.685 3.960 0.009 0.000 0.261 345 G HA3 -0.280 3.685 3.960 0.009 0.000 0.261 345 G C 0.144 175.069 174.900 0.041 0.000 0.980 345 G CA 0.272 45.389 45.100 0.029 0.000 0.632 345 G HN 0.462 nan 8.290 nan 0.000 0.533 346 L N 1.645 122.896 121.223 0.046 0.000 2.417 346 L HA 0.366 4.711 4.340 0.009 0.000 0.268 346 L C 1.111 178.018 176.870 0.062 0.000 1.158 346 L CA -0.373 54.509 54.840 0.071 0.000 0.819 346 L CB 0.665 42.773 42.059 0.082 0.000 1.112 346 L HN 0.097 nan 8.230 nan 0.000 0.458 347 T N 2.116 116.717 114.554 0.078 0.000 2.902 347 T HA 0.143 4.498 4.350 0.009 0.000 0.301 347 T C 0.070 174.800 174.700 0.050 0.000 1.012 347 T CA -0.339 61.793 62.100 0.053 0.000 1.151 347 T CB 0.577 69.485 68.868 0.067 0.000 0.946 347 T HN 0.220 nan 8.240 nan 0.000 0.542 348 V N 5.906 125.814 119.914 -0.010 0.000 2.394 348 V HA 0.405 4.531 4.120 0.009 0.000 0.282 348 V C 0.452 176.446 176.094 -0.168 0.000 1.031 348 V CA -0.693 61.582 62.300 -0.042 0.000 0.881 348 V CB 1.187 32.983 31.823 -0.044 0.000 0.982 348 V HN 0.724 nan 8.190 nan 0.000 0.451 349 R N 3.990 124.318 120.500 -0.288 0.000 2.393 349 R HA 0.515 4.861 4.340 0.009 0.000 0.315 349 R C -0.897 175.139 176.300 -0.441 0.000 0.952 349 R CA -0.792 54.957 56.100 -0.584 0.000 0.842 349 R CB 2.059 31.593 30.300 -1.277 0.000 1.163 349 R HN 0.628 nan 8.270 nan 0.000 0.450 350 K N 3.330 123.529 120.400 -0.334 0.000 2.211 350 K HA 0.348 4.674 4.320 0.009 0.000 0.275 350 K C -0.733 175.730 176.600 -0.228 0.000 1.024 350 K CA -0.681 55.472 56.287 -0.223 0.000 0.887 350 K CB 1.081 33.492 32.500 -0.148 0.000 1.084 350 K HN 0.115 nan 8.250 nan 0.000 0.463 351 L N 3.286 124.385 121.223 -0.208 0.000 2.324 351 L HA 0.199 4.544 4.340 0.009 0.000 0.274 351 L C -0.518 176.249 176.870 -0.171 0.000 1.012 351 L CA -0.389 54.343 54.840 -0.180 0.000 0.859 351 L CB 1.236 43.155 42.059 -0.232 0.000 1.224 351 L HN 0.511 nan 8.230 nan 0.000 0.429 352 Q N 3.356 123.092 119.800 -0.107 0.000 2.349 352 Q HA 0.491 4.836 4.340 0.009 0.000 0.254 352 Q C -1.026 174.926 176.000 -0.081 0.000 0.980 352 Q CA 0.010 55.759 55.803 -0.090 0.000 0.924 352 Q CB 0.691 29.394 28.738 -0.058 0.000 1.209 352 Q HN 0.538 nan 8.270 nan 0.000 0.445 353 L N 2.821 123.971 121.223 -0.122 0.000 2.417 353 L HA 0.564 4.910 4.340 0.009 0.000 0.268 353 L C 0.215 177.021 176.870 -0.107 0.000 1.158 353 L CA -0.390 54.368 54.840 -0.135 0.000 0.819 353 L CB 0.907 42.801 42.059 -0.274 0.000 1.112 353 L HN 0.862 nan 8.230 nan 0.000 0.458 354 S N 2.286 117.934 115.700 -0.086 0.000 2.596 354 S HA 0.761 5.236 4.470 0.009 0.000 0.270 354 S C -1.008 173.565 174.600 -0.046 0.000 1.155 354 S CA -1.074 57.095 58.200 -0.051 0.000 0.827 354 S CB 1.985 65.176 63.200 -0.015 0.000 1.130 354 S HN 0.511 nan 8.310 nan 0.000 0.467 355 M N 1.968 121.557 119.600 -0.018 0.000 2.395 355 M HA 0.412 4.897 4.480 0.009 0.000 0.307 355 M C -0.937 175.375 176.300 0.021 0.000 1.091 355 M CA -0.594 54.701 55.300 -0.009 0.000 0.919 355 M CB 1.872 34.465 32.600 -0.012 0.000 1.662 355 M HN 0.823 nan 8.290 nan 0.000 0.440 356 D N 4.885 125.306 120.400 0.035 0.000 2.487 356 D HA 0.015 4.660 4.640 0.009 0.000 0.243 356 D C -1.559 174.765 176.300 0.041 0.000 1.154 356 D CA -0.854 53.172 54.000 0.043 0.000 0.876 356 D CB 1.304 42.139 40.800 0.059 0.000 1.161 356 D HN 0.321 nan 8.370 nan 0.000 0.478 357 P HA -0.194 nan 4.420 nan 0.000 0.216 357 P C 1.481 178.802 177.300 0.036 0.000 1.150 357 P CA 0.862 63.982 63.100 0.034 0.000 0.837 357 P CB 0.127 31.844 31.700 0.028 0.000 0.786 358 M N -0.502 119.122 119.600 0.040 0.000 2.117 358 M HA -0.071 4.414 4.480 0.009 0.000 0.262 358 M C 2.063 178.391 176.300 0.047 0.000 1.065 358 M CA 1.399 56.724 55.300 0.042 0.000 1.114 358 M CB -1.578 31.049 32.600 0.046 0.000 1.361 358 M HN -0.164 nan 8.290 nan 0.000 0.408 359 L N -0.810 120.448 121.223 0.058 0.000 2.056 359 L HA -0.228 4.117 4.340 0.009 0.000 0.207 359 L C 1.813 178.710 176.870 0.045 0.000 1.078 359 L CA 2.176 57.053 54.840 0.061 0.000 0.749 359 L CB -0.927 41.182 42.059 0.084 0.000 0.901 359 L HN 0.251 nan 8.230 nan 0.000 0.433 360 D N -0.199 120.229 120.400 0.047 0.000 2.104 360 D HA -0.224 4.421 4.640 0.009 0.000 0.194 360 D C 2.415 178.740 176.300 0.041 0.000 0.994 360 D CA 1.581 55.610 54.000 0.049 0.000 0.830 360 D CB 0.006 40.835 40.800 0.049 0.000 0.959 360 D HN 0.259 nan 8.370 nan 0.000 0.452 361 M N -0.669 118.952 119.600 0.035 0.000 2.067 361 M HA -0.142 4.343 4.480 0.009 0.000 0.260 361 M C 2.527 178.842 176.300 0.024 0.000 1.069 361 M CA 1.169 56.487 55.300 0.029 0.000 1.117 361 M CB -0.672 31.943 32.600 0.026 0.000 1.334 361 M HN 0.109 nan 8.290 nan 0.000 0.407 362 M N 0.065 119.678 119.600 0.021 0.000 2.117 362 M HA -0.089 4.396 4.480 0.009 0.000 0.262 362 M C 2.365 178.665 176.300 0.000 0.000 1.065 362 M CA 1.739 57.045 55.300 0.010 0.000 1.114 362 M CB -0.866 31.739 32.600 0.009 0.000 1.361 362 M HN 0.455 nan 8.290 nan 0.000 0.408 363 G N -0.068 108.734 108.800 0.003 0.000 2.418 363 G HA2 -0.195 3.771 3.960 0.009 0.000 0.217 363 G HA3 -0.195 3.771 3.960 0.009 0.000 0.217 363 G C 1.522 176.439 174.900 0.028 0.000 1.158 363 G CA 0.580 45.681 45.100 0.001 0.000 0.771 363 G HN 0.326 nan 8.290 nan 0.000 0.545 364 M N -0.226 119.397 119.600 0.039 0.000 2.175 364 M HA -0.056 4.429 4.480 0.009 0.000 0.264 364 M C 2.672 178.995 176.300 0.039 0.000 1.063 364 M CA 1.239 56.567 55.300 0.046 0.000 1.119 364 M CB -0.183 32.442 32.600 0.042 0.000 1.377 364 M HN 0.299 nan 8.290 nan 0.000 0.415 365 Q N 0.374 120.189 119.800 0.025 0.000 2.084 365 Q HA -0.194 4.152 4.340 0.009 0.000 0.202 365 Q C 1.981 177.987 176.000 0.011 0.000 0.978 365 Q CA 1.590 57.404 55.803 0.017 0.000 0.844 365 Q CB -0.016 28.727 28.738 0.009 0.000 0.898 365 Q HN 0.532 nan 8.270 nan 0.000 0.426 366 M N -0.116 119.485 119.600 0.002 0.000 2.159 366 M HA -0.186 4.300 4.480 0.009 0.000 0.263 366 M C 2.169 178.470 176.300 0.002 0.000 1.063 366 M CA 0.887 56.177 55.300 -0.016 0.000 1.110 366 M CB -0.235 32.344 32.600 -0.035 0.000 1.374 366 M HN 0.264 nan 8.290 nan 0.000 0.411 367 L N 0.468 121.728 121.223 0.061 0.000 2.027 367 L HA -0.148 4.198 4.340 0.009 0.000 0.206 367 L C 2.315 179.281 176.870 0.161 0.000 1.074 367 L CA 1.714 56.653 54.840 0.166 0.000 0.745 367 L CB -0.346 41.829 42.059 0.194 0.000 0.898 367 L HN 0.218 nan 8.230 nan 0.000 0.433 368 M N -0.771 118.885 119.600 0.093 0.000 2.175 368 M HA -0.162 4.323 4.480 0.009 0.000 0.264 368 M C 2.165 178.487 176.300 0.037 0.000 1.063 368 M CA 1.438 56.783 55.300 0.075 0.000 1.119 368 M CB -1.233 31.394 32.600 0.046 0.000 1.377 368 M HN 0.361 nan 8.290 nan 0.000 0.415 369 E N 0.098 120.299 120.200 0.002 0.000 2.072 369 E HA -0.200 4.155 4.350 0.009 0.000 0.191 369 E C 2.112 178.661 176.600 -0.085 0.000 0.985 369 E CA 1.111 57.492 56.400 -0.033 0.000 0.801 369 E CB -0.034 29.643 29.700 -0.038 0.000 0.750 369 E HN 0.438 nan 8.360 nan 0.000 0.452 370 K N -0.205 120.096 120.400 -0.164 0.000 2.062 370 K HA -0.130 4.195 4.320 0.009 0.000 0.205 370 K C 1.092 177.438 176.600 -0.423 0.000 1.051 370 K CA 1.288 57.339 56.287 -0.394 0.000 0.941 370 K CB 0.115 32.195 32.500 -0.699 0.000 0.719 370 K HN 0.104 nan 8.250 nan 0.000 0.440 371 Y N -0.626 119.688 120.300 0.023 0.000 2.430 371 Y HA 0.306 4.862 4.550 0.010 0.000 0.248 371 Y C 1.001 176.912 175.900 0.018 0.000 1.108 371 Y CA 0.081 58.199 58.100 0.029 0.000 1.264 371 Y CB 0.859 39.353 38.460 0.057 0.000 1.172 371 Y HN 0.297 nan 8.280 nan 0.000 0.520 372 G N 0.857 109.735 108.800 0.130 0.000 2.601 372 G HA2 -0.329 3.636 3.960 0.009 0.000 0.252 372 G HA3 -0.329 3.636 3.960 0.009 0.000 0.252 372 G C 0.458 175.405 174.900 0.078 0.000 1.294 372 G CA 0.231 45.379 45.100 0.079 0.000 0.912 372 G HN 0.215 nan 8.290 nan 0.000 0.574 373 D N -0.256 120.173 120.400 0.048 0.000 2.228 373 D HA -0.099 4.546 4.640 0.009 0.000 0.203 373 D C 2.316 178.631 176.300 0.025 0.000 0.988 373 D CA 1.745 55.763 54.000 0.031 0.000 0.864 373 D CB -0.120 40.691 40.800 0.019 0.000 0.928 373 D HN 0.464 nan 8.370 nan 0.000 0.469 374 Q N 0.661 120.483 119.800 0.036 0.000 2.291 374 Q HA -0.022 4.324 4.340 0.009 0.000 0.206 374 Q C 1.744 177.734 176.000 -0.017 0.000 0.976 374 Q CA 1.220 57.030 55.803 0.012 0.000 0.875 374 Q CB -0.389 28.365 28.738 0.025 0.000 0.927 374 Q HN 0.227 nan 8.270 nan 0.000 0.450 375 A N -0.516 122.315 122.820 0.018 0.000 2.216 375 A HA -0.061 4.264 4.320 0.009 0.000 0.214 375 A C 1.173 178.727 177.584 -0.051 0.000 1.160 375 A CA 1.160 53.182 52.037 -0.025 0.000 0.725 375 A CB -0.148 18.904 19.000 0.087 0.000 0.784 375 A HN 0.407 nan 8.150 nan 0.000 0.472 376 M N -0.813 118.769 119.600 -0.031 0.000 2.502 376 M HA 0.318 4.804 4.480 0.009 0.000 0.351 376 M C 0.584 176.859 176.300 -0.041 0.000 1.118 376 M CA -0.250 55.027 55.300 -0.037 0.000 0.952 376 M CB -0.755 31.836 32.600 -0.015 0.000 1.424 376 M HN 0.283 nan 8.290 nan 0.000 0.529 377 A N 0.947 123.739 122.820 -0.046 0.000 2.567 377 A HA 0.414 4.740 4.320 0.009 0.000 0.240 377 A C 1.519 179.073 177.584 -0.051 0.000 1.053 377 A CA 1.316 53.328 52.037 -0.042 0.000 0.755 377 A CB -0.493 18.482 19.000 -0.042 0.000 0.978 377 A HN 0.991 nan 8.150 nan 0.000 0.507 378 G N 0.895 109.672 108.800 -0.039 0.000 2.184 378 G HA2 -0.218 3.747 3.960 0.009 0.000 0.264 378 G HA3 -0.218 3.747 3.960 0.009 0.000 0.264 378 G C 0.205 175.081 174.900 -0.040 0.000 0.975 378 G CA 0.835 45.910 45.100 -0.041 0.000 0.642 378 G HN 0.776 nan 8.290 nan 0.000 0.536 404 F N 2.387 122.319 119.950 -0.030 0.000 2.451 404 F HA 0.066 4.598 4.527 0.009 0.000 0.299 404 F C 1.538 177.262 175.800 -0.127 0.000 1.101 404 F CA 0.856 58.803 58.000 -0.087 0.000 1.436 404 F CB -0.717 38.196 39.000 -0.146 0.000 1.074 404 F HN 0.351 nan 8.300 nan 0.000 0.553 405 H N -1.049 117.660 119.070 -0.602 0.000 2.521 405 H HA -0.019 4.542 4.556 0.009 0.000 0.286 405 H C 0.407 175.373 175.328 -0.603 0.000 1.034 405 H CA 1.772 57.483 56.048 -0.561 0.000 1.278 405 H CB -0.262 29.103 29.762 -0.661 0.000 1.386 405 H HN 0.508 nan 8.280 nan 0.000 0.567 406 H N -1.936 117.173 119.070 0.066 0.000 2.665 406 H HA 0.418 4.980 4.556 0.009 0.000 0.248 406 H C 1.039 176.414 175.328 0.078 0.000 1.175 406 H CA 0.343 56.440 56.048 0.082 0.000 0.952 406 H CB 0.968 30.764 29.762 0.057 0.000 1.883 406 H HN 0.287 nan 8.280 nan 0.000 0.623 407 A N -0.054 122.849 122.820 0.139 0.000 2.132 407 A HA 0.072 4.398 4.320 0.009 0.000 0.213 407 A C 0.596 178.236 177.584 0.093 0.000 1.154 407 A CA 0.201 52.310 52.037 0.120 0.000 0.753 407 A CB -0.074 19.002 19.000 0.127 0.000 0.826 407 A HN 0.355 nan 8.150 nan 0.000 0.469 408 N N -0.060 118.697 118.700 0.095 0.000 2.456 408 N HA 0.543 5.289 4.740 0.009 0.000 0.296 408 N C -0.845 174.722 175.510 0.095 0.000 1.102 408 N CA -0.283 52.800 53.050 0.055 0.000 0.924 408 N CB 1.148 39.651 38.487 0.026 0.000 1.186 408 N HN 0.171 nan 8.380 nan 0.000 0.492 409 K N 1.076 121.518 120.400 0.069 0.000 2.555 409 K HA 0.551 4.876 4.320 0.009 0.000 0.279 409 K C -1.402 175.247 176.600 0.082 0.000 0.986 409 K CA -0.632 55.712 56.287 0.096 0.000 0.880 409 K CB 2.193 34.738 32.500 0.075 0.000 1.474 409 K HN 0.335 nan 8.250 nan 0.000 0.433 410 I N 1.797 122.434 120.570 0.112 0.000 2.498 410 I HA 0.234 4.409 4.170 0.009 0.000 0.290 410 I C -0.491 175.669 176.117 0.071 0.000 1.032 410 I CA -0.927 60.430 61.300 0.094 0.000 1.073 410 I CB 1.702 39.802 38.000 0.166 0.000 1.251 410 I HN 0.621 nan 8.210 nan 0.000 0.426 411 N N 4.559 123.277 118.700 0.030 0.000 2.716 411 N HA -0.198 4.547 4.740 0.009 0.000 0.250 411 N C 0.939 176.466 175.510 0.029 0.000 1.033 411 N CA 1.430 54.492 53.050 0.020 0.000 0.727 411 N CB -0.944 37.559 38.487 0.028 0.000 0.950 411 N HN 1.195 nan 8.380 nan 0.000 0.541 412 G N -1.256 107.561 108.800 0.029 0.000 2.155 412 G HA2 -0.343 3.622 3.960 0.009 0.000 0.257 412 G HA3 -0.343 3.622 3.960 0.009 0.000 0.257 412 G C -0.182 174.743 174.900 0.042 0.000 0.983 412 G CA 0.838 45.956 45.100 0.030 0.000 0.676 412 G HN 0.589 nan 8.290 nan 0.000 0.528 413 Q N -0.371 119.466 119.800 0.061 0.000 2.321 413 Q HA 0.727 5.073 4.340 0.009 0.000 0.270 413 Q C 0.148 176.220 176.000 0.119 0.000 1.032 413 Q CA -0.102 55.744 55.803 0.073 0.000 0.784 413 Q CB 2.132 30.907 28.738 0.061 0.000 1.264 413 Q HN 0.784 nan 8.270 nan 0.000 0.448 414 A N 1.968 124.869 122.820 0.134 0.000 2.425 414 A HA 0.304 4.630 4.320 0.009 0.000 0.249 414 A C -0.486 177.249 177.584 0.251 0.000 1.084 414 A CA -0.310 51.856 52.037 0.214 0.000 0.781 414 A CB 0.039 19.198 19.000 0.265 0.000 1.019 414 A HN 0.724 nan 8.150 nan 0.000 0.490 415 F N 2.178 122.225 119.950 0.161 0.000 2.579 415 F HA 0.065 4.598 4.527 0.010 0.000 0.397 415 F C 0.209 176.099 175.800 0.150 0.000 1.027 415 F CA 0.727 58.815 58.000 0.147 0.000 1.217 415 F CB 0.284 39.387 39.000 0.172 0.000 0.986 415 F HN 0.562 nan 8.300 nan 0.000 0.551 416 D N 7.000 127.022 120.400 -0.631 0.000 2.453 416 D HA 0.103 4.749 4.640 0.009 0.000 0.238 416 D C 0.813 176.516 176.300 -0.996 0.000 1.088 416 D CA -0.398 53.213 54.000 -0.648 0.000 0.854 416 D CB 1.135 41.764 40.800 -0.286 0.000 1.076 416 D HN 0.803 nan 8.370 nan 0.000 0.533 417 M N 3.309 122.239 119.600 -1.117 0.000 2.279 417 M HA -0.104 4.382 4.480 0.009 0.000 0.264 417 M C 0.684 176.748 176.300 -0.395 0.000 1.062 417 M CA 1.541 56.371 55.300 -0.782 0.000 1.099 417 M CB 0.020 32.259 32.600 -0.602 0.000 1.394 417 M HN 0.320 nan 8.290 nan 0.000 0.426 418 N N -0.325 118.177 118.700 -0.330 0.000 2.461 418 N HA -0.046 4.699 4.740 0.009 0.000 0.188 418 N C -0.082 175.320 175.510 -0.180 0.000 1.134 418 N CA 0.242 53.164 53.050 -0.214 0.000 0.878 418 N CB 0.205 38.590 38.487 -0.170 0.000 0.972 418 N HN 0.085 nan 8.380 nan 0.000 0.456 419 K N 1.171 121.450 120.400 -0.201 0.000 2.723 419 K HA 0.310 4.636 4.320 0.009 0.000 0.229 419 K C -3.023 173.507 176.600 -0.117 0.000 1.022 419 K CA -1.778 54.427 56.287 -0.138 0.000 1.045 419 K CB 1.257 33.688 32.500 -0.115 0.000 1.227 419 K HN -0.257 nan 8.250 nan 0.000 0.516 420 P HA -0.003 nan 4.420 nan 0.000 0.265 420 P C 0.261 177.504 177.300 -0.096 0.000 1.193 420 P CA -0.064 62.975 63.100 -0.102 0.000 0.765 420 P CB 0.688 32.320 31.700 -0.114 0.000 0.823 421 M N 3.302 122.816 119.600 -0.143 0.000 2.419 421 M HA 0.087 4.573 4.480 0.009 0.000 0.264 421 M C -0.436 175.883 176.300 0.031 0.000 1.082 421 M CA 1.371 56.633 55.300 -0.062 0.000 1.119 421 M CB 0.021 32.610 32.600 -0.019 0.000 1.398 421 M HN 0.379 nan 8.290 nan 0.000 0.453 422 F N -2.541 117.442 119.950 0.056 0.000 2.773 422 F HA 0.690 5.222 4.527 0.009 0.000 0.314 422 F C -1.515 174.346 175.800 0.102 0.000 1.160 422 F CA -1.699 56.323 58.000 0.037 0.000 0.920 422 F CB 0.368 39.349 39.000 -0.031 0.000 1.323 422 F HN -0.277 nan 8.300 nan 0.000 0.457 423 A N 1.425 124.460 122.820 0.359 0.000 2.249 423 A HA 0.868 5.193 4.320 0.009 0.000 0.314 423 A C -0.230 177.616 177.584 0.437 0.000 1.290 423 A CA -0.129 52.090 52.037 0.303 0.000 0.893 423 A CB 0.053 19.156 19.000 0.172 0.000 1.165 423 A HN 1.549 nan 8.150 nan 0.000 0.530 424 A N 2.069 125.208 122.820 0.533 0.000 2.286 424 A HA 0.754 5.079 4.320 0.009 0.000 0.286 424 A C 0.764 178.571 177.584 0.371 0.000 1.097 424 A CA 0.126 52.468 52.037 0.508 0.000 0.821 424 A CB 0.335 19.721 19.000 0.645 0.000 1.076 424 A HN 2.005 nan 8.150 nan 0.000 0.490 425 A N 0.768 123.798 122.820 0.350 0.000 2.332 425 A HA 0.513 4.839 4.320 0.009 0.000 0.258 425 A C 0.414 178.186 177.584 0.314 0.000 1.087 425 A CA -0.208 51.989 52.037 0.267 0.000 0.802 425 A CB 0.159 19.282 19.000 0.205 0.000 1.042 425 A HN 0.844 nan 8.150 nan 0.000 0.489 426 K N 0.438 120.968 120.400 0.216 0.000 2.130 426 K HA 0.475 4.801 4.320 0.009 0.000 0.268 426 K C 0.894 177.560 176.600 0.110 0.000 0.983 426 K CA 0.402 56.807 56.287 0.197 0.000 0.893 426 K CB 0.697 33.280 32.500 0.138 0.000 1.066 426 K HN 1.588 nan 8.250 nan 0.000 0.450 427 G N 2.432 111.267 108.800 0.059 0.000 2.187 427 G HA2 -0.291 3.674 3.960 0.009 0.000 0.261 427 G HA3 -0.291 3.674 3.960 0.009 0.000 0.261 427 G C -0.437 174.421 174.900 -0.071 0.000 1.000 427 G CA 0.517 45.593 45.100 -0.040 0.000 0.718 427 G HN 0.608 nan 8.290 nan 0.000 0.519 428 Q N -1.083 118.697 119.800 -0.033 0.000 2.356 428 Q HA 0.533 4.879 4.340 0.009 0.000 0.270 428 Q C -0.803 175.172 176.000 -0.043 0.000 1.058 428 Q CA -1.092 54.698 55.803 -0.022 0.000 0.802 428 Q CB 1.652 30.436 28.738 0.077 0.000 1.303 428 Q HN 0.251 nan 8.270 nan 0.000 0.444 429 Y N 1.428 121.756 120.300 0.048 0.000 2.610 429 Y HA 0.016 4.571 4.550 0.009 0.000 0.332 429 Y C 0.547 176.485 175.900 0.062 0.000 1.201 429 Y CA 0.683 58.799 58.100 0.025 0.000 1.465 429 Y CB 0.546 39.020 38.460 0.023 0.000 1.283 429 Y HN 0.429 nan 8.280 nan 0.000 0.563 430 E N 2.736 123.079 120.200 0.239 0.000 2.299 430 E HA 0.482 4.838 4.350 0.009 0.000 0.265 430 E C -0.819 175.914 176.600 0.222 0.000 0.911 430 E CA -1.241 55.316 56.400 0.261 0.000 0.789 430 E CB 1.896 31.859 29.700 0.439 0.000 1.246 430 E HN 0.435 nan 8.360 nan 0.000 0.427 431 R N 1.622 122.264 120.500 0.236 0.000 2.246 431 R HA 0.252 4.597 4.340 0.009 0.000 0.332 431 R C -1.190 175.304 176.300 0.323 0.000 0.974 431 R CA -0.613 55.594 56.100 0.178 0.000 0.837 431 R CB 0.724 31.072 30.300 0.080 0.000 1.145 431 R HN 0.333 nan 8.270 nan 0.000 0.467 432 W N 2.827 124.070 121.300 -0.096 0.000 2.433 432 W HA 0.349 5.015 4.660 0.010 0.000 0.315 432 W C -0.339 176.099 176.519 -0.135 0.000 1.087 432 W CA -0.716 56.556 57.345 -0.121 0.000 1.205 432 W CB 1.362 30.758 29.460 -0.107 0.000 1.288 432 W HN 0.109 nan 8.180 nan 0.000 0.504 433 V N 6.154 126.087 119.914 0.033 0.000 2.350 433 V HA 0.398 4.523 4.120 0.009 0.000 0.285 433 V C -0.416 175.621 176.094 -0.096 0.000 1.014 433 V CA -0.813 61.466 62.300 -0.035 0.000 0.831 433 V CB 0.796 32.588 31.823 -0.051 0.000 1.000 433 V HN 0.228 nan 8.190 nan 0.000 0.433 434 I N 3.965 124.464 120.570 -0.118 0.000 2.389 434 I HA 0.531 4.706 4.170 0.009 0.000 0.288 434 I C 0.115 176.141 176.117 -0.153 0.000 0.999 434 I CA 0.053 61.214 61.300 -0.232 0.000 1.129 434 I CB 2.053 39.788 38.000 -0.442 0.000 1.288 434 I HN 0.538 nan 8.210 nan 0.000 0.444 435 S N 3.350 118.964 115.700 -0.144 0.000 2.482 435 S HA 0.726 5.201 4.470 0.009 0.000 0.303 435 S C 0.612 175.179 174.600 -0.056 0.000 1.091 435 S CA -0.374 57.782 58.200 -0.073 0.000 1.057 435 S CB 1.359 64.524 63.200 -0.059 0.000 1.031 435 S HN 0.843 nan 8.310 nan 0.000 0.485 436 G N 2.776 111.586 108.800 0.016 0.000 3.453 436 G HA2 0.274 4.239 3.960 0.009 0.000 0.263 436 G HA3 0.274 4.239 3.960 0.009 0.000 0.263 436 G C -0.006 174.939 174.900 0.075 0.000 1.060 436 G CA -0.106 45.038 45.100 0.074 0.000 0.793 436 G HN 0.663 nan 8.290 nan 0.000 0.532 437 V N 0.896 120.831 119.914 0.035 0.000 2.617 437 V HA 0.419 4.545 4.120 0.009 0.000 0.304 437 V C 1.591 177.702 176.094 0.029 0.000 1.040 437 V CA 1.863 64.181 62.300 0.030 0.000 1.149 437 V CB 0.759 32.590 31.823 0.013 0.000 0.914 437 V HN 0.759 nan 8.190 nan 0.000 0.487 438 G N 3.828 112.649 108.800 0.036 0.000 2.231 438 G HA2 -0.128 3.838 3.960 0.009 0.000 0.206 438 G HA3 -0.128 3.838 3.960 0.009 0.000 0.206 438 G C -0.270 174.660 174.900 0.050 0.000 0.996 438 G CA 0.235 45.355 45.100 0.033 0.000 0.645 438 G HN 1.075 nan 8.290 nan 0.000 0.498 439 D N -1.977 118.470 120.400 0.078 0.000 2.643 439 D HA 0.672 5.318 4.640 0.009 0.000 0.283 439 D C 0.604 176.965 176.300 0.101 0.000 1.242 439 D CA -0.952 53.105 54.000 0.094 0.000 0.863 439 D CB 0.225 41.099 40.800 0.124 0.000 1.382 439 D HN -0.121 nan 8.370 nan 0.000 0.444 440 M N -0.081 119.567 119.600 0.079 0.000 2.405 440 M HA 0.240 4.726 4.480 0.009 0.000 0.292 440 M C -0.575 175.733 176.300 0.013 0.000 1.111 440 M CA -0.081 55.246 55.300 0.045 0.000 0.979 440 M CB 0.040 32.656 32.600 0.027 0.000 1.426 440 M HN 0.470 nan 8.290 nan 0.000 0.509 441 M N 0.661 120.269 119.600 0.013 0.000 2.227 441 M HA 0.334 4.819 4.480 0.009 0.000 0.316 441 M C -0.116 175.974 176.300 -0.351 0.000 1.144 441 M CA -0.960 54.275 55.300 -0.109 0.000 1.121 441 M CB 0.416 33.017 32.600 0.002 0.000 1.440 441 M HN 0.064 nan 8.290 nan 0.000 0.473 442 L N 3.172 124.214 121.223 -0.302 0.000 2.290 442 L HA 0.254 4.599 4.340 0.009 0.000 0.284 442 L C -0.771 175.912 176.870 -0.311 0.000 1.078 442 L CA 0.370 55.064 54.840 -0.243 0.000 0.815 442 L CB 0.026 42.019 42.059 -0.110 0.000 1.162 442 L HN 0.430 nan 8.230 nan 0.000 0.435 443 H N 5.484 124.678 119.070 0.206 0.000 2.786 443 H HA 0.345 4.907 4.556 0.009 0.000 0.284 443 H C -2.425 173.083 175.328 0.300 0.000 1.104 443 H CA -2.156 54.066 56.048 0.290 0.000 1.339 443 H CB 0.836 30.791 29.762 0.321 0.000 1.427 443 H HN 0.457 nan 8.280 nan 0.000 0.497 444 P HA 0.043 nan 4.420 nan 0.000 0.274 444 P C -0.255 177.311 177.300 0.443 0.000 1.291 444 P CA -0.095 63.213 63.100 0.347 0.000 0.815 444 P CB -0.302 31.556 31.700 0.264 0.000 0.897 445 F N 4.407 124.545 119.950 0.313 0.000 2.411 445 F HA 0.354 4.887 4.527 0.009 0.000 0.350 445 F C 0.432 176.463 175.800 0.385 0.000 1.114 445 F CA -0.240 57.948 58.000 0.313 0.000 1.135 445 F CB 0.556 39.711 39.000 0.257 0.000 1.120 445 F HN 0.318 nan 8.300 nan 0.000 0.495 446 H N 5.968 124.812 119.070 -0.376 0.000 2.495 446 H HA 0.619 5.181 4.556 0.009 0.000 0.348 446 H C -1.314 173.898 175.328 -0.194 0.000 1.113 446 H CA -0.918 55.049 56.048 -0.135 0.000 1.195 446 H CB 1.135 30.840 29.762 -0.094 0.000 1.521 446 H HN 0.596 nan 8.280 nan 0.000 0.509 447 I N 5.223 125.653 120.570 -0.234 0.000 2.436 447 I HA 0.208 4.384 4.170 0.009 0.000 0.289 447 I C 0.142 176.180 176.117 -0.132 0.000 1.010 447 I CA -0.650 60.627 61.300 -0.040 0.000 1.098 447 I CB 1.392 39.523 38.000 0.218 0.000 1.266 447 I HN 0.606 nan 8.210 nan 0.000 0.434 448 H N 3.896 122.843 119.070 -0.205 0.000 2.679 448 H HA 0.193 4.754 4.556 0.009 0.000 0.369 448 H C 1.102 176.279 175.328 -0.251 0.000 1.178 448 H CA 0.491 56.428 56.048 -0.185 0.000 1.419 448 H CB 0.977 30.682 29.762 -0.096 0.000 1.458 448 H HN 0.962 nan 8.280 nan 0.000 0.605 449 G N 1.079 109.752 108.800 -0.211 0.000 2.143 449 G HA2 -0.279 3.686 3.960 0.009 0.000 0.249 449 G HA3 -0.279 3.686 3.960 0.009 0.000 0.249 449 G C 0.285 175.176 174.900 -0.014 0.000 0.981 449 G CA 0.598 45.462 45.100 -0.393 0.000 0.665 449 G HN 0.851 nan 8.290 nan 0.000 0.528 450 T N -1.105 113.450 114.554 0.000 0.000 2.802 450 T HA 0.584 4.940 4.350 0.009 0.000 0.311 450 T C -1.896 172.766 174.700 -0.063 0.000 1.405 450 T CA -0.407 61.662 62.100 -0.053 0.000 1.016 450 T CB 1.804 70.552 68.868 -0.199 0.000 1.352 450 T HN 0.149 nan 8.240 nan 0.000 0.498 451 Q N 2.481 122.224 119.800 -0.094 0.000 2.325 451 Q HA 0.496 4.842 4.340 0.009 0.000 0.270 451 Q C -0.997 175.109 176.000 0.177 0.000 1.020 451 Q CA -0.504 55.257 55.803 -0.070 0.000 0.785 451 Q CB 1.637 30.303 28.738 -0.120 0.000 1.259 451 Q HN 0.654 nan 8.270 nan 0.000 0.452 452 F N -0.140 119.955 119.950 0.240 0.000 2.585 452 F HA 0.753 5.286 4.527 0.009 0.000 0.350 452 F C -0.145 175.777 175.800 0.203 0.000 1.074 452 F CA -1.336 56.789 58.000 0.209 0.000 1.032 452 F CB 0.819 39.827 39.000 0.013 0.000 1.330 452 F HN 0.099 nan 8.300 nan 0.000 0.495 453 R N 1.442 122.186 120.500 0.407 0.000 2.445 453 R HA 0.512 4.857 4.340 0.009 0.000 0.308 453 R C -0.968 175.447 176.300 0.191 0.000 0.961 453 R CA -0.721 55.459 56.100 0.132 0.000 0.862 453 R CB 1.843 32.071 30.300 -0.121 0.000 1.144 453 R HN 0.766 nan 8.270 nan 0.000 0.447 454 I N 4.276 124.947 120.570 0.168 0.000 2.396 454 I HA 0.036 4.211 4.170 0.009 0.000 0.289 454 I C 1.604 177.735 176.117 0.024 0.000 1.056 454 I CA -0.073 61.300 61.300 0.122 0.000 1.365 454 I CB 0.798 38.890 38.000 0.153 0.000 1.407 454 I HN 0.429 nan 8.210 nan 0.000 0.509 455 L N 3.864 125.086 121.223 -0.002 0.000 2.168 455 L HA 0.101 4.447 4.340 0.009 0.000 0.203 455 L C 0.969 177.833 176.870 -0.011 0.000 1.078 455 L CA 0.867 55.694 54.840 -0.021 0.000 0.780 455 L CB -0.104 41.937 42.059 -0.032 0.000 0.939 455 L HN 0.562 nan 8.230 nan 0.000 0.451 456 S N -0.402 115.298 115.700 0.000 0.000 2.575 456 S HA 0.279 4.754 4.470 0.009 0.000 0.278 456 S C -1.050 173.564 174.600 0.024 0.000 1.139 456 S CA -0.628 57.576 58.200 0.007 0.000 0.954 456 S CB 1.665 64.865 63.200 0.000 0.000 1.054 456 S HN 0.203 nan 8.310 nan 0.000 0.483 457 E N 3.391 123.610 120.200 0.032 0.000 2.102 457 E HA 0.355 4.710 4.350 0.009 0.000 0.263 457 E C -0.226 176.402 176.600 0.047 0.000 0.894 457 E CA -0.298 56.134 56.400 0.054 0.000 0.746 457 E CB 0.370 30.108 29.700 0.063 0.000 1.129 457 E HN 0.736 nan 8.360 nan 0.000 0.416 458 N N 3.913 122.645 118.700 0.052 0.000 2.716 458 N HA -0.246 4.500 4.740 0.009 0.000 0.250 458 N C 0.353 175.882 175.510 0.031 0.000 1.033 458 N CA 1.704 54.783 53.050 0.048 0.000 0.727 458 N CB -1.101 37.421 38.487 0.059 0.000 0.950 458 N HN 0.916 nan 8.380 nan 0.000 0.541 459 G N -1.702 107.112 108.800 0.022 0.000 2.141 459 G HA2 -0.278 3.687 3.960 0.009 0.000 0.231 459 G HA3 -0.278 3.687 3.960 0.009 0.000 0.231 459 G C -0.064 174.841 174.900 0.010 0.000 0.984 459 G CA 0.527 45.634 45.100 0.013 0.000 0.660 459 G HN 0.584 nan 8.290 nan 0.000 0.525 460 K N -0.113 120.294 120.400 0.011 0.000 2.532 460 K HA 0.484 4.809 4.320 0.009 0.000 0.265 460 K C -2.901 173.702 176.600 0.004 0.000 0.948 460 K CA -2.171 54.119 56.287 0.006 0.000 0.842 460 K CB 2.863 35.367 32.500 0.007 0.000 1.392 460 K HN -0.090 nan 8.250 nan 0.000 0.436 461 P HA 0.044 nan 4.420 nan 0.000 0.268 461 P C -2.467 174.828 177.300 -0.008 0.000 1.208 461 P CA -0.809 62.287 63.100 -0.007 0.000 0.777 461 P CB -0.195 31.497 31.700 -0.012 0.000 0.875 462 P HA 0.101 nan 4.420 nan 0.000 0.272 462 P C -0.494 176.778 177.300 -0.047 0.000 1.223 462 P CA -0.137 62.950 63.100 -0.023 0.000 0.784 462 P CB 0.470 32.160 31.700 -0.018 0.000 0.923 463 A N 2.381 125.152 122.820 -0.082 0.000 2.492 463 A HA 0.314 4.640 4.320 0.009 0.000 0.236 463 A C 1.786 179.304 177.584 -0.109 0.000 1.078 463 A CA 0.413 52.395 52.037 -0.090 0.000 0.773 463 A CB -0.517 18.411 19.000 -0.120 0.000 1.023 463 A HN 0.620 nan 8.150 nan 0.000 0.504 464 A N 0.792 123.607 122.820 -0.008 0.000 1.908 464 A HA -0.192 4.134 4.320 0.009 0.000 0.218 464 A C 1.758 179.365 177.584 0.037 0.000 1.181 464 A CA 1.921 53.969 52.037 0.018 0.000 0.627 464 A CB -1.018 18.015 19.000 0.054 0.000 0.818 464 A HN 1.122 nan 8.150 nan 0.000 0.445 465 H N -1.265 117.818 119.070 0.023 0.000 2.555 465 H HA 0.152 4.713 4.556 0.009 0.000 0.269 465 H C 1.142 176.582 175.328 0.187 0.000 0.988 465 H CA 0.998 57.087 56.048 0.068 0.000 1.178 465 H CB -0.218 29.534 29.762 -0.018 0.000 1.373 465 H HN 0.528 nan 8.280 nan 0.000 0.588 466 R N 0.277 120.627 120.500 -0.251 0.000 2.472 466 R HA 0.367 4.713 4.340 0.009 0.000 0.279 466 R C 1.206 177.489 176.300 -0.029 0.000 0.953 466 R CA 0.439 56.493 56.100 -0.076 0.000 1.088 466 R CB 0.786 30.990 30.300 -0.159 0.000 1.197 466 R HN 0.251 nan 8.270 nan 0.000 0.536 467 A N 0.545 123.337 122.820 -0.047 0.000 2.308 467 A HA 0.289 4.614 4.320 0.009 0.000 0.217 467 A C 1.115 178.617 177.584 -0.137 0.000 1.216 467 A CA 0.252 52.247 52.037 -0.070 0.000 0.864 467 A CB 0.216 19.175 19.000 -0.068 0.000 0.902 467 A HN 0.322 nan 8.150 nan 0.000 0.499 468 G N -0.990 107.735 108.800 -0.126 0.000 2.975 468 G HA2 0.388 4.353 3.960 0.009 0.000 0.159 468 G HA3 0.388 4.353 3.960 0.009 0.000 0.159 468 G C -0.674 174.037 174.900 -0.315 0.000 1.525 468 G CA -0.882 44.051 45.100 -0.278 0.000 1.075 468 G HN 0.423 nan 8.290 nan 0.000 0.574 469 W N 1.284 122.579 121.300 -0.009 0.000 2.335 469 W HA 0.571 5.236 4.660 0.008 0.000 0.306 469 W C 0.165 176.601 176.519 -0.139 0.000 1.216 469 W CA -0.535 56.774 57.345 -0.059 0.000 1.237 469 W CB 1.105 30.536 29.460 -0.047 0.000 1.243 469 W HN -0.079 nan 8.180 nan 0.000 0.493 470 K N 2.064 122.448 120.400 -0.026 0.000 2.435 470 K HA 0.193 4.518 4.320 0.009 0.000 0.251 470 K C -0.196 175.908 176.600 -0.827 0.000 0.954 470 K CA -0.653 55.453 56.287 -0.301 0.000 0.820 470 K CB 2.012 34.400 32.500 -0.188 0.000 1.292 470 K HN 0.535 nan 8.250 nan 0.000 0.436 471 D N -1.521 118.566 120.400 -0.523 0.000 2.469 471 D HA 0.095 4.741 4.640 0.009 0.000 0.215 471 D C -0.444 175.899 176.300 0.072 0.000 1.154 471 D CA -0.064 53.663 54.000 -0.456 0.000 0.832 471 D CB 0.644 41.477 40.800 0.055 0.000 1.008 471 D HN 0.232 nan 8.370 nan 0.000 0.506 472 T N -0.129 114.490 114.554 0.109 0.000 2.912 472 T HA 0.580 4.936 4.350 0.009 0.000 0.299 472 T C -1.494 173.501 174.700 0.491 0.000 1.052 472 T CA -0.795 61.552 62.100 0.411 0.000 0.996 472 T CB 2.585 71.597 68.868 0.242 0.000 1.070 472 T HN -0.053 nan 8.240 nan 0.000 0.465 473 V N 2.468 122.698 119.914 0.527 0.000 2.841 473 V HA 0.609 4.735 4.120 0.009 0.000 0.310 473 V C -0.730 175.556 176.094 0.321 0.000 1.090 473 V CA -0.996 61.545 62.300 0.402 0.000 0.930 473 V CB 1.953 34.001 31.823 0.374 0.000 1.014 473 V HN 0.842 nan 8.190 nan 0.000 0.425 474 K N 4.334 124.875 120.400 0.234 0.000 2.368 474 K HA 0.538 4.864 4.320 0.009 0.000 0.282 474 K C -1.294 175.417 176.600 0.186 0.000 1.035 474 K CA -0.187 56.219 56.287 0.199 0.000 0.973 474 K CB 1.021 33.605 32.500 0.140 0.000 0.957 474 K HN 0.574 nan 8.250 nan 0.000 0.474 475 V N 4.793 124.839 119.914 0.219 0.000 2.443 475 V HA 0.272 4.397 4.120 0.009 0.000 0.293 475 V C -0.861 175.362 176.094 0.215 0.000 1.021 475 V CA -0.620 61.801 62.300 0.201 0.000 0.848 475 V CB 1.345 33.296 31.823 0.213 0.000 0.998 475 V HN 0.902 nan 8.190 nan 0.000 0.424 476 E N 3.579 123.865 120.200 0.143 0.000 2.542 476 E HA 0.483 4.839 4.350 0.009 0.000 0.298 476 E C 0.666 177.317 176.600 0.085 0.000 0.980 476 E CA 0.316 56.779 56.400 0.104 0.000 0.792 476 E CB 1.101 30.827 29.700 0.043 0.000 1.463 476 E HN 1.008 nan 8.360 nan 0.000 0.389 477 G N 3.428 112.293 108.800 0.108 0.000 2.168 477 G HA2 -0.301 3.665 3.960 0.009 0.000 0.257 477 G HA3 -0.301 3.665 3.960 0.009 0.000 0.257 477 G C 0.126 175.058 174.900 0.054 0.000 0.997 477 G CA 0.749 45.892 45.100 0.072 0.000 0.708 477 G HN 0.558 nan 8.290 nan 0.000 0.520 478 N N -2.016 116.718 118.700 0.057 0.000 3.449 478 N HA 0.596 5.341 4.740 0.009 0.000 0.312 478 N C -1.125 174.404 175.510 0.032 0.000 1.582 478 N CA 0.209 53.281 53.050 0.036 0.000 0.850 478 N CB 1.521 40.027 38.487 0.032 0.000 1.822 478 N HN 0.270 nan 8.380 nan 0.000 0.577 479 V N 0.727 120.652 119.914 0.018 0.000 2.604 479 V HA 0.610 4.735 4.120 0.009 0.000 0.305 479 V C -0.294 175.805 176.094 0.008 0.000 1.043 479 V CA -0.571 61.730 62.300 0.002 0.000 0.888 479 V CB 1.464 33.280 31.823 -0.011 0.000 0.995 479 V HN 0.603 nan 8.190 nan 0.000 0.429 480 S N 2.602 118.303 115.700 0.001 0.000 2.607 480 S HA 0.695 5.170 4.470 0.009 0.000 0.303 480 S C -0.748 173.845 174.600 -0.012 0.000 1.086 480 S CA -0.700 57.506 58.200 0.010 0.000 0.995 480 S CB 2.106 65.331 63.200 0.042 0.000 1.084 480 S HN 0.850 nan 8.310 nan 0.000 0.507 481 E N 1.197 121.390 120.200 -0.012 0.000 2.256 481 E HA 0.599 4.955 4.350 0.009 0.000 0.268 481 E C -1.383 175.185 176.600 -0.053 0.000 0.877 481 E CA -0.784 55.603 56.400 -0.023 0.000 0.757 481 E CB 1.396 31.088 29.700 -0.014 0.000 1.183 481 E HN 0.487 nan 8.360 nan 0.000 0.418 482 V N 1.880 121.731 119.914 -0.105 0.000 2.914 482 V HA 0.656 4.782 4.120 0.009 0.000 0.314 482 V C -1.105 174.902 176.094 -0.145 0.000 1.084 482 V CA -1.119 61.052 62.300 -0.215 0.000 0.963 482 V CB 1.621 33.024 31.823 -0.700 0.000 1.025 482 V HN 0.650 nan 8.190 nan 0.000 0.432 483 L N 4.118 125.291 121.223 -0.083 0.000 2.262 483 L HA 0.811 5.157 4.340 0.009 0.000 0.288 483 L C -0.476 176.428 176.870 0.056 0.000 1.035 483 L CA -0.039 54.787 54.840 -0.023 0.000 0.820 483 L CB 1.164 43.178 42.059 -0.076 0.000 1.204 483 L HN 0.828 nan 8.230 nan 0.000 0.424 484 V N 5.816 125.709 119.914 -0.035 0.000 2.823 484 V HA 0.683 4.809 4.120 0.009 0.000 0.312 484 V C -1.056 174.862 176.094 -0.293 0.000 1.072 484 V CA -0.617 61.541 62.300 -0.237 0.000 0.937 484 V CB 2.125 33.515 31.823 -0.723 0.000 1.013 484 V HN 0.899 nan 8.190 nan 0.000 0.430 485 K N 4.695 124.796 120.400 -0.498 0.000 2.501 485 K HA 0.594 4.920 4.320 0.009 0.000 0.252 485 K C -2.065 174.134 176.600 -0.669 0.000 0.934 485 K CA -0.508 55.447 56.287 -0.553 0.000 0.797 485 K CB 1.682 33.806 32.500 -0.628 0.000 1.270 485 K HN 0.515 nan 8.250 nan 0.000 0.431 486 F N 3.003 122.956 119.950 0.005 0.000 2.411 486 F HA 0.353 4.886 4.527 0.010 0.000 0.352 486 F C 0.752 176.558 175.800 0.010 0.000 1.123 486 F CA -0.631 57.415 58.000 0.077 0.000 1.044 486 F CB 1.569 40.719 39.000 0.250 0.000 1.135 486 F HN 0.621 nan 8.300 nan 0.000 0.461 487 N N 0.864 119.598 118.700 0.057 0.000 2.336 487 N HA 0.072 4.818 4.740 0.009 0.000 0.189 487 N C -0.770 174.439 175.510 -0.502 0.000 1.113 487 N CA 0.001 52.887 53.050 -0.274 0.000 0.858 487 N CB 0.188 38.404 38.487 -0.451 0.000 0.970 487 N HN 0.587 nan 8.380 nan 0.000 0.471 488 H N -0.910 118.283 119.070 0.204 0.000 2.895 488 H HA 0.296 4.858 4.556 0.009 0.000 0.373 488 H C -1.135 174.319 175.328 0.209 0.000 1.174 488 H CA -0.964 55.194 56.048 0.183 0.000 1.144 488 H CB 1.097 30.973 29.762 0.190 0.000 1.793 488 H HN -0.126 nan 8.280 nan 0.000 0.551 489 D N 0.588 121.108 120.400 0.201 0.000 2.362 489 D HA 0.512 5.157 4.640 0.009 0.000 0.242 489 D C -0.438 175.777 176.300 -0.143 0.000 1.132 489 D CA 0.034 54.063 54.000 0.049 0.000 0.907 489 D CB 1.016 41.822 40.800 0.009 0.000 1.195 489 D HN 0.665 nan 8.370 nan 0.000 0.429 490 A N 2.304 124.952 122.820 -0.288 0.000 2.547 490 A HA 0.493 4.819 4.320 0.009 0.000 0.279 490 A C -2.785 174.616 177.584 -0.304 0.000 1.088 490 A CA -1.134 50.588 52.037 -0.525 0.000 0.796 490 A CB 1.681 19.894 19.000 -1.311 0.000 1.308 490 A HN 0.290 nan 8.150 nan 0.000 0.415 491 P HA 0.275 nan 4.420 nan 0.000 0.280 491 P C 0.441 177.651 177.300 -0.151 0.000 1.272 491 P CA -0.526 62.498 63.100 -0.126 0.000 0.819 491 P CB 1.252 32.912 31.700 -0.067 0.000 1.122 492 K N 0.292 120.615 120.400 -0.128 0.000 2.280 492 K HA -0.152 4.173 4.320 0.009 0.000 0.202 492 K C 0.982 177.468 176.600 -0.190 0.000 1.047 492 K CA 1.713 57.912 56.287 -0.147 0.000 0.942 492 K CB -0.422 32.009 32.500 -0.114 0.000 0.739 492 K HN 0.162 nan 8.250 nan 0.000 0.457 493 E N 0.258 120.325 120.200 -0.221 0.000 2.435 493 E HA -0.007 4.349 4.350 0.009 0.000 0.195 493 E C -0.081 176.094 176.600 -0.708 0.000 1.029 493 E CA 0.629 56.795 56.400 -0.389 0.000 0.865 493 E CB 0.272 29.759 29.700 -0.354 0.000 0.833 493 E HN 0.408 nan 8.360 nan 0.000 0.510 494 H N -0.920 118.062 119.070 -0.147 0.000 2.695 494 H HA 0.457 5.019 4.556 0.009 0.000 0.222 494 H C -0.719 174.449 175.328 -0.266 0.000 1.412 494 H CA -0.522 55.426 56.048 -0.167 0.000 1.347 494 H CB 0.024 29.700 29.762 -0.143 0.000 1.858 494 H HN 0.048 nan 8.280 nan 0.000 0.519 495 A N 0.827 123.520 122.820 -0.211 0.000 2.332 495 A HA 0.387 4.712 4.320 0.009 0.000 0.258 495 A C -0.505 176.844 177.584 -0.391 0.000 1.087 495 A CA -0.251 51.583 52.037 -0.338 0.000 0.802 495 A CB 0.480 19.327 19.000 -0.255 0.000 1.042 495 A HN 0.289 nan 8.150 nan 0.000 0.489 496 Y N 0.577 120.522 120.300 -0.592 0.000 2.326 496 Y HA 0.309 4.865 4.550 0.010 0.000 0.333 496 Y C 0.865 176.355 175.900 -0.684 0.000 1.240 496 Y CA -0.378 57.280 58.100 -0.738 0.000 1.365 496 Y CB 0.499 38.167 38.460 -1.320 0.000 1.289 496 Y HN 0.431 nan 8.280 nan 0.000 0.548 497 M N 1.896 121.185 119.600 -0.518 0.000 2.478 497 M HA 0.648 5.134 4.480 0.009 0.000 0.327 497 M C -0.534 175.736 176.300 -0.049 0.000 1.187 497 M CA -0.961 54.071 55.300 -0.447 0.000 1.022 497 M CB 1.523 33.603 32.600 -0.867 0.000 1.629 497 M HN 0.655 nan 8.290 nan 0.000 0.461 498 A N 2.347 125.293 122.820 0.211 0.000 2.353 498 A HA 0.771 5.097 4.320 0.009 0.000 0.299 498 A C -1.139 176.468 177.584 0.038 0.000 1.089 498 A CA -0.510 51.635 52.037 0.180 0.000 0.736 498 A CB 0.585 19.924 19.000 0.565 0.000 1.195 498 A HN 1.071 nan 8.150 nan 0.000 0.447 499 H N -1.298 117.473 119.070 -0.498 0.000 3.003 499 H HA 0.573 5.135 4.556 0.010 0.000 0.327 499 H C -0.683 174.518 175.328 -0.212 0.000 1.353 499 H CA -0.749 55.188 56.048 -0.186 0.000 1.142 499 H CB 0.451 30.201 29.762 -0.020 0.000 1.864 499 H HN 0.764 nan 8.280 nan 0.000 0.529 500 C N 2.113 121.612 119.300 0.332 0.000 2.653 500 C HA 0.074 4.540 4.460 0.009 0.000 0.421 500 C C 1.199 176.460 174.990 0.452 0.000 1.334 500 C CA 0.036 59.323 59.018 0.448 0.000 1.885 500 C CB -0.886 27.202 27.740 0.581 0.000 2.645 500 C HN 1.002 nan 8.230 nan 0.000 0.601 501 H N 4.094 123.346 119.070 0.303 0.000 2.519 501 H HA 0.188 4.750 4.556 0.010 0.000 0.289 501 H C 0.391 175.854 175.328 0.225 0.000 1.040 501 H CA 0.109 56.344 56.048 0.312 0.000 1.165 501 H CB 0.118 30.040 29.762 0.267 0.000 1.462 501 H HN 0.681 nan 8.280 nan 0.000 0.555 502 L N 2.002 123.388 121.223 0.272 0.000 2.407 502 L HA 0.041 4.386 4.340 0.009 0.000 0.282 502 L C 0.871 177.794 176.870 0.088 0.000 1.110 502 L CA -0.247 54.649 54.840 0.093 0.000 0.863 502 L CB 0.239 42.221 42.059 -0.129 0.000 1.207 502 L HN 0.234 nan 8.230 nan 0.000 0.454 503 L N 3.000 124.273 121.223 0.082 0.000 2.131 503 L HA -0.180 4.165 4.340 0.009 0.000 0.210 503 L C 1.811 178.737 176.870 0.094 0.000 1.092 503 L CA 0.963 55.827 54.840 0.040 0.000 0.759 503 L CB -0.248 41.810 42.059 -0.002 0.000 0.903 503 L HN 0.657 nan 8.230 nan 0.000 0.435 504 E N -0.954 119.323 120.200 0.128 0.000 2.274 504 E HA -0.132 4.223 4.350 0.009 0.000 0.194 504 E C 1.954 178.713 176.600 0.265 0.000 0.996 504 E CA 0.759 57.267 56.400 0.180 0.000 0.840 504 E CB -0.187 29.617 29.700 0.173 0.000 0.772 504 E HN 0.547 nan 8.360 nan 0.000 0.491 505 H N -0.182 118.990 119.070 0.170 0.000 2.326 505 H HA -0.059 4.503 4.556 0.009 0.000 0.301 505 H C 2.080 177.509 175.328 0.168 0.000 1.081 505 H CA 1.075 57.239 56.048 0.193 0.000 1.334 505 H CB 0.203 30.125 29.762 0.266 0.000 1.385 505 H HN 0.191 nan 8.280 nan 0.000 0.504 506 E N 0.922 121.290 120.200 0.281 0.000 2.058 506 E HA -0.219 4.136 4.350 0.009 0.000 0.194 506 E C 1.254 177.910 176.600 0.093 0.000 0.997 506 E CA 1.540 58.028 56.400 0.147 0.000 0.801 506 E CB 0.060 29.773 29.700 0.021 0.000 0.746 506 E HN 0.413 nan 8.360 nan 0.000 0.450 507 D N -0.357 120.098 120.400 0.091 0.000 2.312 507 D HA -0.077 4.569 4.640 0.009 0.000 0.211 507 D C 1.291 177.641 176.300 0.083 0.000 0.964 507 D CA 1.446 55.487 54.000 0.067 0.000 0.877 507 D CB 0.129 40.976 40.800 0.078 0.000 0.924 507 D HN 0.313 nan 8.370 nan 0.000 0.515 508 T N -3.984 110.648 114.554 0.130 0.000 3.174 508 T HA 0.505 4.860 4.350 0.009 0.000 0.269 508 T C 1.270 176.038 174.700 0.113 0.000 1.017 508 T CA 0.190 62.347 62.100 0.094 0.000 0.899 508 T CB 0.960 69.924 68.868 0.160 0.000 1.077 508 T HN 0.100 nan 8.240 nan 0.000 0.552 509 G N 1.614 110.517 108.800 0.171 0.000 2.367 509 G HA2 -0.161 3.804 3.960 0.009 0.000 0.181 509 G HA3 -0.161 3.804 3.960 0.009 0.000 0.181 509 G C 0.167 175.215 174.900 0.247 0.000 1.000 509 G CA -0.169 45.075 45.100 0.240 0.000 0.693 509 G HN 0.508 nan 8.290 nan 0.000 0.480 510 M N 1.481 121.210 119.600 0.216 0.000 3.596 510 M HA 0.741 5.226 4.480 0.009 0.000 0.219 510 M C -0.024 176.444 176.300 0.279 0.000 1.471 510 M CA 0.243 55.683 55.300 0.234 0.000 1.644 510 M CB -0.331 32.409 32.600 0.234 0.000 1.083 510 M HN 0.397 nan 8.290 nan 0.000 0.579 511 M N 3.339 123.091 119.600 0.253 0.000 2.471 511 M HA 0.531 5.017 4.480 0.009 0.000 0.284 511 M C -2.215 174.248 176.300 0.272 0.000 1.203 511 M CA -0.879 54.520 55.300 0.164 0.000 0.915 511 M CB 1.908 34.373 32.600 -0.225 0.000 1.734 511 M HN 0.362 nan 8.290 nan 0.000 0.485 512 L N 1.431 122.810 121.223 0.260 0.000 2.371 512 L HA 1.112 5.458 4.340 0.009 0.000 0.262 512 L C -0.493 176.532 176.870 0.259 0.000 1.006 512 L CA -0.381 54.656 54.840 0.329 0.000 0.818 512 L CB 1.646 43.846 42.059 0.234 0.000 1.354 512 L HN 0.641 nan 8.230 nan 0.000 0.415 513 G N 0.689 109.649 108.800 0.267 0.000 2.389 513 G HA2 0.708 4.674 3.960 0.009 0.000 0.328 513 G HA3 0.708 4.674 3.960 0.009 0.000 0.328 513 G C -1.283 173.604 174.900 -0.022 0.000 1.133 513 G CA -0.479 44.691 45.100 0.116 0.000 0.891 513 G HN 0.923 nan 8.290 nan 0.000 0.485 514 F N -0.431 119.376 119.950 -0.238 0.000 2.619 514 F HA 0.764 5.296 4.527 0.009 0.000 0.308 514 F C -0.066 175.623 175.800 -0.186 0.000 1.097 514 F CA -1.325 56.434 58.000 -0.403 0.000 0.953 514 F CB 1.220 39.824 39.000 -0.661 0.000 1.287 514 F HN 0.654 nan 8.300 nan 0.000 0.446 515 T N 0.180 114.695 114.554 -0.066 0.000 2.944 515 T HA 0.881 5.237 4.350 0.009 0.000 0.284 515 T C -0.599 174.117 174.700 0.027 0.000 1.010 515 T CA -0.624 61.399 62.100 -0.128 0.000 1.025 515 T CB 1.846 70.668 68.868 -0.078 0.000 1.079 515 T HN 0.725 nan 8.240 nan 0.000 0.516 516 V N 0.000 119.887 119.914 -0.045 0.000 2.409 516 V HA 0.000 4.126 4.120 0.009 0.000 0.244 516 V CA 0.000 62.353 62.300 0.089 0.000 1.235 516 V CB 0.000 31.933 31.823 0.184 0.000 1.184 516 V HN 0.000 nan 8.190 nan 0.000 0.556