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 3ifg_1_P DATA FIRST_RESID 3 DATA SEQUENCE GSMKDPSLLR HQAYIGGEWQ AADSDATFEV FDPATGESLG TVPKMGAAET DATA SEQUENCE ARAIEAAQAA WAGWRMKTAK ERAAILRRWF DLVIANSDDL ALILTTEQGK DATA SEQUENCE PLAEAKGEIA YAASFIEWFA EEGKRVAGDT LPTPDANKRI VVVKEPIGVC DATA SEQUENCE AAITPWNFPA AMIARKVGPA LAAGCPIVVK PAESTPFSAL AMAFLAERAG DATA SEQUENCE VPKGVLSVVI GDPKAIGTEI TSNPIVRKLS FTGSTAVGRL LMAQSAPTVK DATA SEQUENCE KLTLELGGNA PFIVFDDADL DAAVEGAIAS KYRNNGQTCV CTNRFFVHER DATA SEQUENCE VYDAFADKLA AAVSKLKVGR GTESGATLGP LINEAAVKKV ESHIADALAK DATA SEQUENCE GASLMTGGKR HALGHGFFEP TVLTGVKPDM DVAKEETFGP LAPLFRFASE DATA SEQUENCE EELVRLANDT EFGLAAYLYS RDIGRVWRVA EALEYGMVGI NTGLISNEVA DATA SEQUENCE PFGGVKQSGL GREGSHYGID DYVVIKYLCV AV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 3 G C 0.000 174.871 174.900 -0.049 0.000 0.946 3 G CA 0.000 45.063 45.100 -0.062 0.000 0.502 4 S N 0.634 116.305 115.700 -0.048 0.000 2.384 4 S HA 0.771 5.241 4.470 -0.000 0.000 0.227 4 S C -0.132 174.447 174.600 -0.036 0.000 1.257 4 S CA -0.429 57.750 58.200 -0.036 0.000 1.249 4 S CB -0.056 63.126 63.200 -0.029 0.000 1.018 4 S HN 0.293 nan 8.310 nan 0.000 0.478 5 M N 0.769 120.345 119.600 -0.040 0.000 2.572 5 M HA 0.485 4.965 4.480 -0.000 0.000 0.299 5 M C 0.372 176.655 176.300 -0.029 0.000 1.205 5 M CA -0.802 54.476 55.300 -0.036 0.000 0.876 5 M CB 2.209 34.779 32.600 -0.050 0.000 1.728 5 M HN -0.043 nan 8.290 nan 0.000 0.458 6 K N 0.263 120.652 120.400 -0.019 0.000 2.103 6 K HA -0.105 4.215 4.320 -0.000 0.000 0.207 6 K C 0.084 176.677 176.600 -0.012 0.000 1.048 6 K CA 1.213 57.492 56.287 -0.012 0.000 0.930 6 K CB 0.035 32.532 32.500 -0.005 0.000 0.716 6 K HN 0.417 nan 8.250 nan 0.000 0.444 7 D N -1.136 119.256 120.400 -0.014 0.000 2.375 7 D HA 0.173 4.813 4.640 -0.000 0.000 0.259 7 D C -2.433 173.837 176.300 -0.050 0.000 1.235 7 D CA -2.306 51.687 54.000 -0.013 0.000 0.924 7 D CB 1.331 42.147 40.800 0.026 0.000 1.143 7 D HN -0.195 nan 8.370 nan 0.000 0.529 8 P HA 0.013 nan 4.420 nan 0.000 0.241 8 P C 0.955 178.142 177.300 -0.188 0.000 1.191 8 P CA 0.385 63.413 63.100 -0.119 0.000 0.771 8 P CB 0.236 31.876 31.700 -0.100 0.000 0.929 9 S N -1.089 114.484 115.700 -0.212 0.000 2.561 9 S HA 0.034 4.504 4.470 -0.000 0.000 0.225 9 S C 1.680 175.899 174.600 -0.636 0.000 0.977 9 S CA 0.302 58.260 58.200 -0.405 0.000 0.926 9 S CB -1.252 61.730 63.200 -0.365 0.000 0.769 9 S HN 0.119 nan 8.310 nan 0.000 0.533 10 L N 0.072 121.094 121.223 -0.334 0.000 2.201 10 L HA 0.133 4.473 4.340 -0.000 0.000 0.212 10 L C 0.780 177.480 176.870 -0.284 0.000 1.105 10 L CA 0.480 55.181 54.840 -0.232 0.000 0.775 10 L CB -0.322 41.714 42.059 -0.038 0.000 0.913 10 L HN 0.339 nan 8.230 nan 0.000 0.440 11 L N 1.563 122.587 121.223 -0.331 0.000 2.295 11 L HA 0.215 4.555 4.340 -0.000 0.000 0.288 11 L C 0.117 176.703 176.870 -0.473 0.000 1.079 11 L CA 0.130 54.728 54.840 -0.403 0.000 0.830 11 L CB 0.105 41.907 42.059 -0.428 0.000 1.200 11 L HN -0.005 nan 8.230 nan 0.000 0.438 12 R N 3.829 124.080 120.500 -0.415 0.000 2.536 12 R HA 0.404 4.744 4.340 -0.000 0.000 0.279 12 R C -0.117 175.959 176.300 -0.372 0.000 1.001 12 R CA -0.534 55.333 56.100 -0.389 0.000 1.027 12 R CB 0.793 30.891 30.300 -0.337 0.000 1.096 12 R HN 0.602 nan 8.270 nan 0.000 0.502 13 H N 0.096 119.153 119.070 -0.021 0.000 2.649 13 H HA 0.290 4.846 4.556 -0.000 0.000 0.258 13 H C -0.206 175.157 175.328 0.058 0.000 1.165 13 H CA -0.052 56.025 56.048 0.047 0.000 1.006 13 H CB 1.542 31.295 29.762 -0.015 0.000 1.743 13 H HN 0.393 nan 8.280 nan 0.000 0.609 14 Q N 0.191 120.116 119.800 0.207 0.000 2.528 14 Q HA 0.727 5.067 4.340 -0.000 0.000 0.289 14 Q C -0.771 175.479 176.000 0.418 0.000 1.091 14 Q CA -1.037 54.944 55.803 0.296 0.000 0.797 14 Q CB 3.192 32.153 28.738 0.371 0.000 1.466 14 Q HN 0.242 nan 8.270 nan 0.000 0.436 15 A N 0.516 123.514 122.820 0.297 0.000 2.295 15 A HA 0.461 4.781 4.320 -0.000 0.000 0.318 15 A C -1.690 175.925 177.584 0.051 0.000 1.134 15 A CA -0.243 51.909 52.037 0.192 0.000 0.827 15 A CB 0.472 19.527 19.000 0.092 0.000 1.136 15 A HN 0.636 nan 8.150 nan 0.000 0.493 16 Y N 2.817 122.922 120.300 -0.324 0.000 2.454 16 Y HA 0.486 5.036 4.550 -0.000 0.000 0.345 16 Y C -0.709 174.975 175.900 -0.360 0.000 0.970 16 Y CA -1.119 56.585 58.100 -0.660 0.000 1.204 16 Y CB 0.578 38.554 38.460 -0.806 0.000 1.122 16 Y HN 0.373 nan 8.280 nan 0.000 0.514 17 I N 5.275 125.492 120.570 -0.588 0.000 2.476 17 I HA 0.273 4.443 4.170 -0.000 0.000 0.281 17 I C 0.875 176.708 176.117 -0.474 0.000 1.040 17 I CA -0.608 60.452 61.300 -0.401 0.000 1.094 17 I CB 1.007 38.882 38.000 -0.208 0.000 1.219 17 I HN 0.824 nan 8.210 nan 0.000 0.450 18 G N 4.574 113.100 108.800 -0.457 0.000 2.203 18 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.263 18 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.263 18 G C 0.999 175.621 174.900 -0.463 0.000 1.012 18 G CA 0.716 45.591 45.100 -0.374 0.000 0.749 18 G HN 1.688 nan 8.290 nan 0.000 0.512 19 G N -1.746 106.536 108.800 -0.864 0.000 2.159 19 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.227 19 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.227 19 G C -0.142 174.406 174.900 -0.587 0.000 0.986 19 G CA 0.741 45.378 45.100 -0.772 0.000 0.651 19 G HN 1.039 nan 8.290 nan 0.000 0.523 20 E N -0.975 118.822 120.200 -0.671 0.000 2.234 20 E HA 0.447 4.797 4.350 -0.000 0.000 0.266 20 E C -0.771 175.642 176.600 -0.312 0.000 0.877 20 E CA -1.105 55.114 56.400 -0.302 0.000 0.758 20 E CB 1.095 30.704 29.700 -0.151 0.000 1.170 20 E HN 0.263 nan 8.360 nan 0.000 0.415 21 W N 3.202 124.575 121.300 0.121 0.000 2.585 21 W HA 0.146 4.806 4.660 -0.000 0.000 0.337 21 W C 0.396 176.956 176.519 0.069 0.000 1.226 21 W CA -0.163 57.270 57.345 0.147 0.000 1.463 21 W CB 0.355 29.914 29.460 0.164 0.000 1.458 21 W HN 0.261 nan 8.180 nan 0.000 0.458 22 Q N 1.960 121.874 119.800 0.190 0.000 2.297 22 Q HA 0.787 5.127 4.340 -0.000 0.000 0.268 22 Q C -0.184 175.890 176.000 0.123 0.000 1.045 22 Q CA -0.990 54.880 55.803 0.113 0.000 0.861 22 Q CB 2.169 30.922 28.738 0.026 0.000 1.344 22 Q HN 0.511 nan 8.270 nan 0.000 0.452 23 A N 0.652 123.525 122.820 0.088 0.000 2.269 23 A HA 0.793 5.113 4.320 -0.000 0.000 0.327 23 A C -0.594 177.022 177.584 0.053 0.000 1.112 23 A CA -0.388 51.693 52.037 0.073 0.000 0.865 23 A CB 0.696 19.732 19.000 0.060 0.000 1.227 23 A HN 0.761 nan 8.150 nan 0.000 0.498 24 A N 0.220 123.071 122.820 0.052 0.000 2.498 24 A HA 0.311 4.631 4.320 -0.000 0.000 0.239 24 A C 0.582 178.188 177.584 0.036 0.000 1.068 24 A CA 0.140 52.205 52.037 0.047 0.000 0.766 24 A CB -0.152 18.883 19.000 0.059 0.000 1.003 24 A HN 0.770 nan 8.150 nan 0.000 0.497 25 D N 1.189 121.606 120.400 0.028 0.000 2.190 25 D HA -0.147 4.493 4.640 -0.000 0.000 0.200 25 D C 1.933 178.246 176.300 0.023 0.000 0.992 25 D CA 2.213 56.226 54.000 0.021 0.000 0.854 25 D CB -0.061 40.748 40.800 0.015 0.000 0.936 25 D HN 0.654 nan 8.370 nan 0.000 0.462 26 S N -0.828 114.888 115.700 0.027 0.000 2.557 26 S HA 0.094 4.564 4.470 -0.000 0.000 0.223 26 S C 0.482 175.100 174.600 0.029 0.000 0.969 26 S CA 0.287 58.503 58.200 0.026 0.000 0.927 26 S CB 0.517 63.734 63.200 0.028 0.000 0.806 26 S HN 0.003 nan 8.310 nan 0.000 0.489 27 D N 0.540 120.959 120.400 0.032 0.000 3.012 27 D HA -0.179 4.460 4.640 -0.000 0.000 0.222 27 D C 0.212 176.535 176.300 0.038 0.000 1.167 27 D CA 0.889 54.908 54.000 0.032 0.000 0.854 27 D CB -1.470 39.345 40.800 0.024 0.000 1.107 27 D HN 0.846 nan 8.370 nan 0.000 0.421 28 A N 0.033 122.883 122.820 0.049 0.000 2.425 28 A HA 0.563 4.883 4.320 -0.000 0.000 0.249 28 A C 0.870 178.502 177.584 0.081 0.000 1.084 28 A CA 0.835 52.912 52.037 0.066 0.000 0.781 28 A CB 0.560 19.605 19.000 0.075 0.000 1.019 28 A HN 0.593 nan 8.150 nan 0.000 0.490 29 T N -0.821 113.786 114.554 0.088 0.000 2.864 29 T HA 0.773 5.123 4.350 -0.000 0.000 0.299 29 T C -0.598 174.195 174.700 0.156 0.000 1.166 29 T CA -0.546 61.590 62.100 0.059 0.000 1.007 29 T CB 1.295 70.153 68.868 -0.017 0.000 1.219 29 T HN 1.329 nan 8.240 nan 0.000 0.506 30 F N -1.269 118.681 119.950 -0.000 0.000 2.599 30 F HA 0.820 5.346 4.527 -0.000 0.000 0.311 30 F C -0.504 175.259 175.800 -0.061 0.000 1.076 30 F CA -1.257 56.735 58.000 -0.013 0.000 0.937 30 F CB 1.345 40.344 39.000 -0.003 0.000 1.282 30 F HN 0.628 nan 8.300 nan 0.000 0.460 31 E N 1.564 121.774 120.200 0.016 0.000 2.301 31 E HA 0.481 4.831 4.350 -0.000 0.000 0.275 31 E C -1.105 175.272 176.600 -0.372 0.000 1.030 31 E CA -0.835 55.384 56.400 -0.302 0.000 0.852 31 E CB 2.120 31.505 29.700 -0.526 0.000 1.060 31 E HN 0.512 nan 8.360 nan 0.000 0.401 32 V N 4.464 124.133 119.914 -0.407 0.000 2.427 32 V HA 0.342 4.462 4.120 -0.000 0.000 0.286 32 V C -0.563 175.316 176.094 -0.359 0.000 1.034 32 V CA -0.509 61.642 62.300 -0.247 0.000 0.893 32 V CB 0.409 32.139 31.823 -0.156 0.000 0.982 32 V HN 0.477 nan 8.190 nan 0.000 0.452 33 F N 1.485 121.487 119.950 0.087 0.000 2.507 33 F HA 0.417 4.944 4.527 -0.000 0.000 0.327 33 F C 0.477 176.297 175.800 0.034 0.000 1.068 33 F CA -0.932 57.103 58.000 0.058 0.000 0.965 33 F CB 1.086 40.105 39.000 0.032 0.000 1.192 33 F HN 0.413 nan 8.300 nan 0.000 0.476 34 D N 4.126 124.648 120.400 0.204 0.000 2.358 34 D HA 0.091 4.731 4.640 -0.000 0.000 0.258 34 D C -1.546 174.760 176.300 0.011 0.000 1.223 34 D CA -1.716 52.334 54.000 0.083 0.000 0.886 34 D CB 1.449 42.276 40.800 0.045 0.000 1.120 34 D HN 0.183 nan 8.370 nan 0.000 0.482 35 P HA -0.096 nan 4.420 nan 0.000 0.222 35 P C 0.644 177.812 177.300 -0.221 0.000 1.147 35 P CA 0.670 63.699 63.100 -0.118 0.000 0.790 35 P CB 0.304 31.918 31.700 -0.145 0.000 0.780 36 A N -0.611 122.086 122.820 -0.204 0.000 2.220 36 A HA 0.117 4.437 4.320 -0.000 0.000 0.211 36 A C 1.852 179.287 177.584 -0.248 0.000 1.176 36 A CA 1.477 53.410 52.037 -0.172 0.000 0.834 36 A CB -0.636 18.378 19.000 0.024 0.000 0.868 36 A HN 0.352 nan 8.150 nan 0.000 0.488 37 T N -7.021 107.287 114.554 -0.409 0.000 3.010 37 T HA 0.421 4.771 4.350 -0.000 0.000 0.253 37 T C 1.456 175.924 174.700 -0.386 0.000 0.939 37 T CA 1.120 62.984 62.100 -0.393 0.000 0.910 37 T CB 0.247 69.066 68.868 -0.081 0.000 1.226 37 T HN 1.616 nan 8.240 nan 0.000 0.508 38 G N 2.440 111.089 108.800 -0.252 0.000 2.176 38 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.253 38 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.253 38 G C -0.099 174.867 174.900 0.111 0.000 0.979 38 G CA 0.292 45.377 45.100 -0.025 0.000 0.641 38 G HN 1.075 nan 8.290 nan 0.000 0.530 39 E N 0.564 120.840 120.200 0.126 0.000 2.349 39 E HA 0.583 4.933 4.350 -0.000 0.000 0.265 39 E C 0.096 176.860 176.600 0.274 0.000 1.064 39 E CA -0.037 56.473 56.400 0.183 0.000 0.886 39 E CB 1.324 31.083 29.700 0.098 0.000 1.036 39 E HN 0.196 nan 8.360 nan 0.000 0.413 40 S N 0.251 116.094 115.700 0.238 0.000 2.549 40 S HA 0.231 4.701 4.470 -0.000 0.000 0.279 40 S C 0.552 175.160 174.600 0.013 0.000 1.321 40 S CA 0.031 58.271 58.200 0.066 0.000 1.054 40 S CB 0.329 63.533 63.200 0.007 0.000 0.899 40 S HN 0.590 nan 8.310 nan 0.000 0.497 41 L N 3.163 124.376 121.223 -0.017 0.000 2.769 41 L HA 0.684 5.024 4.340 -0.000 0.000 0.240 41 L C 1.212 178.138 176.870 0.093 0.000 1.163 41 L CA 0.537 55.398 54.840 0.035 0.000 0.962 41 L CB -1.493 40.636 42.059 0.116 0.000 1.258 41 L HN 1.317 nan 8.230 nan 0.000 0.513 42 G N -0.969 107.855 108.800 0.039 0.000 2.466 42 G HA2 0.315 4.275 3.960 -0.000 0.000 0.316 42 G HA3 0.315 4.275 3.960 -0.000 0.000 0.316 42 G C -0.035 174.908 174.900 0.072 0.000 1.270 42 G CA 0.331 45.466 45.100 0.059 0.000 0.982 42 G HN 1.816 nan 8.290 nan 0.000 0.506 43 T N -2.592 112.028 114.554 0.110 0.000 2.942 43 T HA 0.943 5.293 4.350 -0.000 0.000 0.289 43 T C 0.067 174.787 174.700 0.033 0.000 1.044 43 T CA 0.112 62.202 62.100 -0.017 0.000 1.023 43 T CB 1.734 70.550 68.868 -0.087 0.000 1.123 43 T HN 2.253 nan 8.240 nan 0.000 0.512 44 V N -2.509 117.209 119.914 -0.326 0.000 3.049 44 V HA 0.741 4.861 4.120 -0.000 0.000 0.309 44 V C -3.190 172.696 176.094 -0.347 0.000 1.148 44 V CA -3.137 58.961 62.300 -0.338 0.000 0.990 44 V CB 1.332 32.844 31.823 -0.519 0.000 1.039 44 V HN 0.749 nan 8.190 nan 0.000 0.430 45 P HA 0.124 nan 4.420 nan 0.000 0.266 45 P C -0.812 176.552 177.300 0.107 0.000 1.193 45 P CA 0.069 63.174 63.100 0.008 0.000 0.770 45 P CB 0.391 32.125 31.700 0.056 0.000 0.836 46 K N 3.820 124.330 120.400 0.185 0.000 2.432 46 K HA 0.289 4.609 4.320 -0.000 0.000 0.226 46 K C -0.241 176.449 176.600 0.149 0.000 1.057 46 K CA -0.214 56.244 56.287 0.285 0.000 1.034 46 K CB -0.174 32.508 32.500 0.303 0.000 1.561 46 K HN 0.456 nan 8.250 nan 0.000 0.492 47 M N 0.211 119.889 119.600 0.130 0.000 2.245 47 M HA 0.381 4.861 4.480 -0.000 0.000 0.292 47 M C 0.902 177.235 176.300 0.055 0.000 1.176 47 M CA -0.219 55.127 55.300 0.076 0.000 1.035 47 M CB 1.404 34.041 32.600 0.062 0.000 1.440 47 M HN 0.580 nan 8.290 nan 0.000 0.494 48 G N -0.936 107.884 108.800 0.033 0.000 3.100 48 G HA2 0.564 4.524 3.960 -0.000 0.000 0.174 48 G HA3 0.564 4.524 3.960 -0.000 0.000 0.174 48 G C 0.236 175.142 174.900 0.010 0.000 1.136 48 G CA 0.100 45.212 45.100 0.020 0.000 0.881 48 G HN 0.718 nan 8.290 nan 0.000 0.616 49 A N -0.295 122.528 122.820 0.005 0.000 1.902 49 A HA 0.302 4.622 4.320 -0.000 0.000 0.217 49 A C 2.690 180.272 177.584 -0.004 0.000 1.181 49 A CA 2.913 54.950 52.037 -0.001 0.000 0.623 49 A CB -1.047 17.951 19.000 -0.003 0.000 0.818 49 A HN 1.501 nan 8.150 nan 0.000 0.443 50 A N -0.177 122.642 122.820 -0.001 0.000 1.902 50 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 50 A C 1.889 179.467 177.584 -0.009 0.000 1.181 50 A CA 1.890 53.925 52.037 -0.004 0.000 0.623 50 A CB -0.444 18.555 19.000 -0.001 0.000 0.818 50 A HN 0.550 nan 8.150 nan 0.000 0.443 51 E N -0.545 119.652 120.200 -0.006 0.000 2.072 51 E HA -0.064 4.286 4.350 -0.000 0.000 0.190 51 E C 2.067 178.653 176.600 -0.023 0.000 0.982 51 E CA 1.548 57.940 56.400 -0.013 0.000 0.803 51 E CB -0.548 29.151 29.700 -0.001 0.000 0.755 51 E HN 0.558 nan 8.360 nan 0.000 0.453 52 T N 0.835 115.380 114.554 -0.015 0.000 2.699 52 T HA -0.225 4.125 4.350 -0.000 0.000 0.268 52 T C 1.988 176.671 174.700 -0.029 0.000 1.036 52 T CA 1.437 63.525 62.100 -0.020 0.000 1.147 52 T CB -0.382 68.480 68.868 -0.010 0.000 0.862 52 T HN 0.286 nan 8.240 nan 0.000 0.446 53 A N 1.346 124.151 122.820 -0.024 0.000 2.015 53 A HA -0.021 4.299 4.320 -0.000 0.000 0.219 53 A C 2.402 179.967 177.584 -0.032 0.000 1.163 53 A CA 0.925 52.947 52.037 -0.025 0.000 0.646 53 A CB -0.374 18.615 19.000 -0.017 0.000 0.806 53 A HN 0.370 nan 8.150 nan 0.000 0.448 54 R N -0.603 119.875 120.500 -0.037 0.000 2.073 54 R HA -0.015 4.325 4.340 -0.000 0.000 0.229 54 R C 2.517 178.777 176.300 -0.067 0.000 1.120 54 R CA 1.075 57.147 56.100 -0.047 0.000 0.967 54 R CB -0.415 29.856 30.300 -0.047 0.000 0.862 54 R HN 0.496 nan 8.270 nan 0.000 0.436 55 A N 1.400 124.175 122.820 -0.076 0.000 1.908 55 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 55 A C 2.144 179.677 177.584 -0.085 0.000 1.181 55 A CA 1.300 53.277 52.037 -0.099 0.000 0.627 55 A CB -0.494 18.449 19.000 -0.095 0.000 0.818 55 A HN 0.173 nan 8.150 nan 0.000 0.445 56 I N -0.818 119.714 120.570 -0.063 0.000 2.226 56 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 56 I C 2.512 178.602 176.117 -0.045 0.000 1.100 56 I CA 1.658 62.924 61.300 -0.055 0.000 1.374 56 I CB -0.320 37.654 38.000 -0.043 0.000 1.057 56 I HN 0.362 nan 8.210 nan 0.000 0.413 57 E N 0.754 120.932 120.200 -0.037 0.000 2.051 57 E HA -0.230 4.120 4.350 -0.000 0.000 0.192 57 E C 2.308 178.891 176.600 -0.027 0.000 0.991 57 E CA 1.565 57.951 56.400 -0.024 0.000 0.799 57 E CB -0.239 29.448 29.700 -0.021 0.000 0.748 57 E HN 0.498 nan 8.360 nan 0.000 0.449 58 A N 1.036 123.824 122.820 -0.053 0.000 1.883 58 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 58 A C 2.391 179.941 177.584 -0.057 0.000 1.186 58 A CA 2.000 53.997 52.037 -0.067 0.000 0.624 58 A CB -0.979 17.953 19.000 -0.114 0.000 0.822 58 A HN 0.328 nan 8.150 nan 0.000 0.444 59 A N -0.705 122.072 122.820 -0.072 0.000 1.940 59 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 59 A C 2.241 179.822 177.584 -0.005 0.000 1.176 59 A CA 1.951 53.943 52.037 -0.074 0.000 0.631 59 A CB -0.591 18.345 19.000 -0.107 0.000 0.814 59 A HN 0.724 nan 8.150 nan 0.000 0.446 60 Q N -0.509 119.304 119.800 0.020 0.000 2.083 60 Q HA -0.068 4.272 4.340 -0.000 0.000 0.198 60 Q C 2.120 178.215 176.000 0.160 0.000 0.969 60 Q CA 1.477 57.346 55.803 0.110 0.000 0.838 60 Q CB -0.339 28.445 28.738 0.076 0.000 0.900 60 Q HN 0.552 nan 8.270 nan 0.000 0.436 61 A N 0.720 123.590 122.820 0.085 0.000 2.015 61 A HA 0.017 4.337 4.320 -0.000 0.000 0.219 61 A C 2.164 179.805 177.584 0.094 0.000 1.163 61 A CA 1.421 53.502 52.037 0.074 0.000 0.646 61 A CB -0.592 18.426 19.000 0.029 0.000 0.806 61 A HN 0.537 nan 8.150 nan 0.000 0.448 62 A N -2.130 120.747 122.820 0.095 0.000 2.123 62 A HA 0.049 4.369 4.320 -0.000 0.000 0.214 62 A C 1.742 179.478 177.584 0.252 0.000 1.152 62 A CA 0.972 53.074 52.037 0.110 0.000 0.728 62 A CB -0.599 18.408 19.000 0.012 0.000 0.814 62 A HN 0.761 nan 8.150 nan 0.000 0.464 63 W N 1.170 122.508 121.300 0.064 0.000 2.354 63 W HA -0.159 4.501 4.660 -0.000 0.000 0.315 63 W C 2.402 179.002 176.519 0.135 0.000 1.206 63 W CA 1.603 59.020 57.345 0.121 0.000 1.290 63 W CB -0.831 28.679 29.460 0.083 0.000 1.152 63 W HN 0.347 nan 8.180 nan 0.000 0.489 64 A N 0.461 123.322 122.820 0.068 0.000 1.917 64 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 64 A C 2.287 179.853 177.584 -0.029 0.000 1.182 64 A CA 2.471 54.433 52.037 -0.124 0.000 0.633 64 A CB -1.556 17.392 19.000 -0.087 0.000 0.819 64 A HN 0.419 nan 8.150 nan 0.000 0.448 65 G N -2.295 106.553 108.800 0.080 0.000 2.430 65 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 65 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 65 G C 1.483 176.483 174.900 0.166 0.000 1.146 65 G CA 0.728 45.885 45.100 0.096 0.000 0.793 65 G HN 0.690 nan 8.290 nan 0.000 0.537 66 W N 2.602 123.932 121.300 0.050 0.000 2.443 66 W HA -0.045 4.615 4.660 -0.000 0.000 0.296 66 W C 2.568 179.134 176.519 0.079 0.000 1.202 66 W CA 1.027 58.418 57.345 0.078 0.000 1.312 66 W CB 0.071 29.607 29.460 0.127 0.000 1.120 66 W HN 0.294 nan 8.180 nan 0.000 0.536 67 R N 0.262 120.800 120.500 0.064 0.000 2.235 67 R HA -0.105 4.234 4.340 -0.000 0.000 0.213 67 R C 2.063 178.269 176.300 -0.156 0.000 1.059 67 R CA 1.181 57.229 56.100 -0.087 0.000 0.997 67 R CB -0.889 29.390 30.300 -0.035 0.000 0.884 67 R HN 0.207 nan 8.270 nan 0.000 0.462 68 M N 1.187 120.710 119.600 -0.127 0.000 2.254 68 M HA 0.021 4.501 4.480 -0.000 0.000 0.265 68 M C 0.158 176.383 176.300 -0.126 0.000 1.066 68 M CA 1.162 56.395 55.300 -0.112 0.000 1.123 68 M CB 0.220 32.777 32.600 -0.073 0.000 1.388 68 M HN 0.071 nan 8.290 nan 0.000 0.425 69 K N 1.188 121.483 120.400 -0.175 0.000 2.380 69 K HA 0.023 4.343 4.320 -0.000 0.000 0.267 69 K C 0.445 176.919 176.600 -0.209 0.000 0.990 69 K CA 0.091 56.258 56.287 -0.201 0.000 0.946 69 K CB 0.320 32.635 32.500 -0.308 0.000 0.937 69 K HN 0.248 nan 8.250 nan 0.000 0.491 70 T N -1.311 113.150 114.554 -0.156 0.000 2.860 70 T HA 0.180 4.530 4.350 -0.000 0.000 0.299 70 T C 1.387 175.990 174.700 -0.162 0.000 1.045 70 T CA -0.293 61.728 62.100 -0.132 0.000 1.071 70 T CB 1.362 70.176 68.868 -0.089 0.000 0.985 70 T HN 0.569 nan 8.240 nan 0.000 0.537 71 A N 1.401 124.146 122.820 -0.126 0.000 1.948 71 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 71 A C 2.367 179.897 177.584 -0.090 0.000 1.177 71 A CA 2.131 54.102 52.037 -0.110 0.000 0.636 71 A CB -0.974 17.985 19.000 -0.070 0.000 0.815 71 A HN 0.993 nan 8.150 nan 0.000 0.449 72 K N -0.395 119.960 120.400 -0.075 0.000 2.057 72 K HA -0.196 4.124 4.320 -0.000 0.000 0.207 72 K C 1.957 178.527 176.600 -0.049 0.000 1.049 72 K CA 1.750 58.004 56.287 -0.054 0.000 0.931 72 K CB -0.176 32.297 32.500 -0.045 0.000 0.714 72 K HN 0.641 nan 8.250 nan 0.000 0.440 73 E N -0.156 120.000 120.200 -0.073 0.000 2.077 73 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 73 E C 2.140 178.692 176.600 -0.080 0.000 0.989 73 E CA 1.067 57.425 56.400 -0.070 0.000 0.800 73 E CB 0.084 29.728 29.700 -0.094 0.000 0.746 73 E HN 0.234 nan 8.360 nan 0.000 0.452 74 R N 0.093 120.491 120.500 -0.170 0.000 2.115 74 R HA -0.033 4.307 4.340 -0.000 0.000 0.230 74 R C 2.290 178.616 176.300 0.043 0.000 1.111 74 R CA 0.941 56.932 56.100 -0.181 0.000 0.976 74 R CB -0.169 29.906 30.300 -0.375 0.000 0.870 74 R HN 0.095 nan 8.270 nan 0.000 0.445 75 A N 1.082 123.913 122.820 0.018 0.000 1.969 75 A HA -0.053 4.267 4.320 -0.000 0.000 0.218 75 A C 2.288 179.924 177.584 0.087 0.000 1.169 75 A CA 1.510 53.581 52.037 0.057 0.000 0.635 75 A CB -0.353 18.651 19.000 0.006 0.000 0.810 75 A HN 0.377 nan 8.150 nan 0.000 0.445 76 A N 0.049 122.912 122.820 0.072 0.000 1.872 76 A HA -0.021 4.299 4.320 -0.000 0.000 0.214 76 A C 2.075 179.740 177.584 0.136 0.000 1.187 76 A CA 1.397 53.486 52.037 0.087 0.000 0.614 76 A CB -0.571 18.463 19.000 0.058 0.000 0.826 76 A HN 0.444 nan 8.150 nan 0.000 0.442 77 I N -0.147 120.519 120.570 0.161 0.000 2.163 77 I HA -0.283 3.887 4.170 -0.000 0.000 0.243 77 I C 2.384 178.663 176.117 0.271 0.000 1.085 77 I CA 1.240 62.663 61.300 0.205 0.000 1.347 77 I CB -0.266 37.893 38.000 0.265 0.000 1.044 77 I HN 0.291 nan 8.210 nan 0.000 0.408 78 L N -0.103 121.307 121.223 0.313 0.000 2.093 78 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 78 L C 2.727 179.832 176.870 0.392 0.000 1.085 78 L CA 1.217 56.311 54.840 0.423 0.000 0.755 78 L CB -0.525 41.760 42.059 0.377 0.000 0.904 78 L HN 0.210 nan 8.230 nan 0.000 0.435 79 R N 0.187 120.848 120.500 0.269 0.000 2.075 79 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 79 R C 2.491 178.973 176.300 0.304 0.000 1.126 79 R CA 1.075 57.332 56.100 0.262 0.000 0.963 79 R CB -0.024 30.373 30.300 0.162 0.000 0.858 79 R HN 0.231 nan 8.270 nan 0.000 0.435 80 R N -0.643 120.006 120.500 0.249 0.000 2.103 80 R HA -0.222 4.118 4.340 -0.000 0.000 0.242 80 R C 1.973 178.439 176.300 0.277 0.000 1.142 80 R CA 1.801 58.029 56.100 0.213 0.000 0.960 80 R CB -0.536 29.865 30.300 0.167 0.000 0.858 80 R HN 0.368 nan 8.270 nan 0.000 0.439 81 W N 1.073 122.443 121.300 0.118 0.000 2.358 81 W HA -0.223 4.437 4.660 -0.000 0.000 0.303 81 W C 1.936 178.539 176.519 0.140 0.000 1.208 81 W CA 0.931 58.339 57.345 0.105 0.000 1.274 81 W CB -0.813 28.713 29.460 0.111 0.000 1.138 81 W HN 0.016 nan 8.180 nan 0.000 0.515 82 F N 1.960 121.924 119.950 0.024 0.000 2.069 82 F HA -0.248 4.279 4.527 -0.000 0.000 0.298 82 F C 2.089 177.860 175.800 -0.048 0.000 1.113 82 F CA 2.626 60.562 58.000 -0.106 0.000 1.214 82 F CB -0.864 38.119 39.000 -0.029 0.000 0.978 82 F HN -0.251 nan 8.300 nan 0.000 0.474 83 D N 0.864 121.202 120.400 -0.104 0.000 2.116 83 D HA -0.224 4.416 4.640 -0.000 0.000 0.193 83 D C 2.436 178.632 176.300 -0.174 0.000 0.998 83 D CA 1.919 55.806 54.000 -0.189 0.000 0.836 83 D CB -0.713 40.095 40.800 0.014 0.000 0.951 83 D HN 0.362 nan 8.370 nan 0.000 0.449 84 L N 0.220 121.411 121.223 -0.053 0.000 2.083 84 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 84 L C 2.538 179.371 176.870 -0.063 0.000 1.083 84 L CA 0.500 55.332 54.840 -0.013 0.000 0.752 84 L CB -0.192 41.920 42.059 0.089 0.000 0.899 84 L HN -0.056 nan 8.230 nan 0.000 0.433 85 V N -0.275 119.551 119.914 -0.148 0.000 2.343 85 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 85 V C 2.361 178.339 176.094 -0.193 0.000 1.051 85 V CA 1.363 63.558 62.300 -0.174 0.000 1.036 85 V CB -0.334 31.317 31.823 -0.285 0.000 0.654 85 V HN 0.285 nan 8.190 nan 0.000 0.451 86 I N 0.645 121.017 120.570 -0.330 0.000 2.202 86 I HA -0.165 4.005 4.170 -0.000 0.000 0.242 86 I C 2.650 178.668 176.117 -0.165 0.000 1.091 86 I CA 1.936 63.053 61.300 -0.305 0.000 1.368 86 I CB -1.456 36.236 38.000 -0.515 0.000 1.058 86 I HN 0.321 nan 8.210 nan 0.000 0.410 87 A N 0.350 123.086 122.820 -0.140 0.000 2.067 87 A HA -0.122 4.197 4.320 -0.000 0.000 0.219 87 A C 1.720 179.280 177.584 -0.040 0.000 1.158 87 A CA 1.210 53.204 52.037 -0.072 0.000 0.661 87 A CB -0.509 18.460 19.000 -0.051 0.000 0.801 87 A HN 0.491 nan 8.150 nan 0.000 0.452 88 N N -0.405 118.272 118.700 -0.037 0.000 2.234 88 N HA -0.002 4.738 4.740 -0.000 0.000 0.227 88 N C 1.402 176.908 175.510 -0.008 0.000 1.151 88 N CA 0.761 53.807 53.050 -0.007 0.000 0.865 88 N CB 0.496 38.997 38.487 0.023 0.000 1.066 88 N HN 0.590 nan 8.380 nan 0.000 0.515 89 S N 0.747 116.433 115.700 -0.025 0.000 2.382 89 S HA -0.125 4.345 4.470 -0.000 0.000 0.228 89 S C 1.368 175.968 174.600 0.001 0.000 1.027 89 S CA 1.040 59.231 58.200 -0.015 0.000 0.991 89 S CB -0.001 63.183 63.200 -0.027 0.000 0.823 89 S HN 0.034 nan 8.310 nan 0.000 0.469 90 D N 2.035 122.434 120.400 -0.002 0.000 2.133 90 D HA -0.095 4.545 4.640 -0.000 0.000 0.195 90 D C 1.612 177.913 176.300 0.002 0.000 0.997 90 D CA 1.505 55.506 54.000 0.002 0.000 0.840 90 D CB -0.544 40.255 40.800 -0.001 0.000 0.947 90 D HN 0.451 nan 8.370 nan 0.000 0.452 91 D N 0.076 120.476 120.400 0.001 0.000 2.084 91 D HA -0.059 4.581 4.640 -0.000 0.000 0.196 91 D C 2.458 178.760 176.300 0.004 0.000 0.985 91 D CA 0.325 54.323 54.000 -0.003 0.000 0.826 91 D CB -0.412 40.386 40.800 -0.003 0.000 0.978 91 D HN 0.203 nan 8.370 nan 0.000 0.456 92 L N 0.880 122.114 121.223 0.018 0.000 2.013 92 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 92 L C 2.581 179.473 176.870 0.036 0.000 1.073 92 L CA 1.407 56.267 54.840 0.034 0.000 0.753 92 L CB -0.605 41.478 42.059 0.041 0.000 0.890 92 L HN -0.013 nan 8.230 nan 0.000 0.432 93 A N -0.162 122.676 122.820 0.030 0.000 1.940 93 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 93 A C 2.215 179.814 177.584 0.024 0.000 1.176 93 A CA 2.006 54.062 52.037 0.032 0.000 0.631 93 A CB -0.635 18.381 19.000 0.028 0.000 0.814 93 A HN 0.358 nan 8.150 nan 0.000 0.446 94 L N -0.385 120.846 121.223 0.013 0.000 2.131 94 L HA 0.067 4.407 4.340 -0.000 0.000 0.206 94 L C 2.164 179.033 176.870 -0.001 0.000 1.087 94 L CA 1.299 56.141 54.840 0.004 0.000 0.767 94 L CB -0.333 41.721 42.059 -0.008 0.000 0.917 94 L HN 0.416 nan 8.230 nan 0.000 0.441 95 I N -0.936 119.631 120.570 -0.005 0.000 2.208 95 I HA -0.329 3.841 4.170 -0.000 0.000 0.245 95 I C 2.447 178.594 176.117 0.051 0.000 1.097 95 I CA 1.525 62.822 61.300 -0.005 0.000 1.363 95 I CB -0.317 37.679 38.000 -0.008 0.000 1.051 95 I HN 0.311 nan 8.210 nan 0.000 0.413 96 L N 0.200 121.457 121.223 0.057 0.000 2.017 96 L HA -0.226 4.113 4.340 -0.000 0.000 0.208 96 L C 2.643 179.544 176.870 0.050 0.000 1.073 96 L CA 1.741 56.622 54.840 0.067 0.000 0.745 96 L CB -0.356 41.738 42.059 0.059 0.000 0.894 96 L HN 0.204 nan 8.230 nan 0.000 0.432 97 T N -1.052 113.521 114.554 0.033 0.000 2.684 97 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 97 T C 1.720 176.436 174.700 0.027 0.000 1.036 97 T CA 2.001 64.115 62.100 0.023 0.000 1.148 97 T CB -0.376 68.504 68.868 0.020 0.000 0.863 97 T HN 0.447 nan 8.240 nan 0.000 0.436 98 T N 2.332 116.905 114.554 0.030 0.000 2.684 98 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 98 T C 2.038 176.776 174.700 0.063 0.000 1.036 98 T CA 1.734 63.853 62.100 0.033 0.000 1.148 98 T CB -0.332 68.542 68.868 0.010 0.000 0.863 98 T HN 0.772 nan 8.240 nan 0.000 0.436 99 E N 0.307 120.572 120.200 0.108 0.000 2.230 99 E HA -0.043 4.307 4.350 -0.000 0.000 0.192 99 E C 2.259 178.907 176.600 0.081 0.000 0.987 99 E CA 0.570 57.059 56.400 0.149 0.000 0.841 99 E CB -0.044 29.819 29.700 0.272 0.000 0.783 99 E HN 0.294 nan 8.360 nan 0.000 0.481 100 Q N 0.181 120.018 119.800 0.062 0.000 2.423 100 Q HA 0.084 4.424 4.340 -0.000 0.000 0.231 100 Q C 1.215 177.217 176.000 0.002 0.000 0.894 100 Q CA 1.334 57.167 55.803 0.050 0.000 0.938 100 Q CB 1.130 29.918 28.738 0.084 0.000 1.079 100 Q HN 0.456 nan 8.270 nan 0.000 0.552 101 G N 1.986 110.781 108.800 -0.008 0.000 2.201 101 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.212 101 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.212 101 G C 0.010 174.894 174.900 -0.026 0.000 0.994 101 G CA 0.280 45.355 45.100 -0.041 0.000 0.644 101 G HN 0.426 nan 8.290 nan 0.000 0.508 102 K N 0.761 121.152 120.400 -0.015 0.000 2.258 102 K HA 0.527 4.847 4.320 -0.000 0.000 0.264 102 K C -2.635 173.969 176.600 0.007 0.000 1.007 102 K CA -1.444 54.835 56.287 -0.013 0.000 0.941 102 K CB 0.634 33.101 32.500 -0.054 0.000 0.966 102 K HN 0.049 nan 8.250 nan 0.000 0.480 103 P HA -0.093 nan 4.420 nan 0.000 0.266 103 P C 0.907 178.219 177.300 0.021 0.000 1.195 103 P CA -0.144 62.972 63.100 0.027 0.000 0.768 103 P CB 0.457 32.175 31.700 0.031 0.000 0.838 104 L N 2.592 123.829 121.223 0.023 0.000 2.064 104 L HA -0.342 3.998 4.340 -0.000 0.000 0.216 104 L C 2.052 178.937 176.870 0.024 0.000 1.077 104 L CA 2.518 57.371 54.840 0.021 0.000 0.766 104 L CB -0.860 41.211 42.059 0.019 0.000 0.890 104 L HN 0.451 nan 8.230 nan 0.000 0.435 105 A N -0.646 122.189 122.820 0.024 0.000 1.908 105 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 105 A C 2.057 179.661 177.584 0.034 0.000 1.181 105 A CA 1.862 53.915 52.037 0.028 0.000 0.627 105 A CB -0.472 18.543 19.000 0.026 0.000 0.818 105 A HN 0.547 nan 8.150 nan 0.000 0.445 106 E N -0.501 119.718 120.200 0.031 0.000 2.072 106 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 106 E C 2.360 178.983 176.600 0.038 0.000 0.985 106 E CA 0.818 57.238 56.400 0.033 0.000 0.801 106 E CB -0.263 29.443 29.700 0.010 0.000 0.750 106 E HN 0.617 nan 8.360 nan 0.000 0.452 107 A N 1.751 124.587 122.820 0.026 0.000 1.902 107 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 107 A C 1.974 179.593 177.584 0.058 0.000 1.181 107 A CA 1.465 53.523 52.037 0.035 0.000 0.623 107 A CB -0.283 18.732 19.000 0.026 0.000 0.818 107 A HN 0.045 nan 8.150 nan 0.000 0.443 108 K N -0.817 119.612 120.400 0.050 0.000 2.057 108 K HA -0.101 4.218 4.320 -0.000 0.000 0.207 108 K C 2.121 178.766 176.600 0.075 0.000 1.049 108 K CA 1.124 57.442 56.287 0.052 0.000 0.931 108 K CB -0.461 32.061 32.500 0.037 0.000 0.714 108 K HN 0.474 nan 8.250 nan 0.000 0.440 109 G N 1.238 110.087 108.800 0.082 0.000 2.422 109 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.218 109 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.218 109 G C 1.350 176.355 174.900 0.175 0.000 1.146 109 G CA 0.978 46.141 45.100 0.105 0.000 0.769 109 G HN 0.438 nan 8.290 nan 0.000 0.547 110 E N 0.023 120.343 120.200 0.199 0.000 2.106 110 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 110 E C 2.382 179.154 176.600 0.287 0.000 0.984 110 E CA 0.714 57.309 56.400 0.325 0.000 0.806 110 E CB -0.093 29.787 29.700 0.300 0.000 0.750 110 E HN 0.317 nan 8.360 nan 0.000 0.458 111 I N 1.383 122.056 120.570 0.172 0.000 2.315 111 I HA -0.172 3.998 4.170 -0.000 0.000 0.248 111 I C 2.550 178.735 176.117 0.113 0.000 1.117 111 I CA 1.258 62.628 61.300 0.116 0.000 1.404 111 I CB -1.660 36.377 38.000 0.061 0.000 1.071 111 I HN 0.198 nan 8.210 nan 0.000 0.419 112 A N 0.274 123.172 122.820 0.130 0.000 1.902 112 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 112 A C 2.384 180.081 177.584 0.188 0.000 1.181 112 A CA 1.511 53.626 52.037 0.129 0.000 0.623 112 A CB -1.136 17.932 19.000 0.113 0.000 0.818 112 A HN 0.445 nan 8.150 nan 0.000 0.443 113 Y N 0.768 121.122 120.300 0.089 0.000 2.145 113 Y HA -0.114 4.436 4.550 -0.000 0.000 0.286 113 Y C 2.665 178.687 175.900 0.203 0.000 1.145 113 Y CA 1.209 59.367 58.100 0.097 0.000 1.148 113 Y CB -0.777 37.761 38.460 0.130 0.000 0.981 113 Y HN 0.312 nan 8.280 nan 0.000 0.507 114 A N 0.744 123.658 122.820 0.157 0.000 1.865 114 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 114 A C 2.510 180.150 177.584 0.093 0.000 1.191 114 A CA 2.452 54.542 52.037 0.088 0.000 0.623 114 A CB -1.680 17.362 19.000 0.069 0.000 0.826 114 A HN 0.645 nan 8.150 nan 0.000 0.444 115 A N 0.355 123.229 122.820 0.091 0.000 1.917 115 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 115 A C 2.542 180.319 177.584 0.322 0.000 1.182 115 A CA 2.904 55.059 52.037 0.197 0.000 0.633 115 A CB -1.226 17.851 19.000 0.127 0.000 0.819 115 A HN 1.212 nan 8.150 nan 0.000 0.448 116 S N -1.069 114.724 115.700 0.155 0.000 2.400 116 S HA -0.175 4.295 4.470 -0.000 0.000 0.232 116 S C 1.703 176.204 174.600 -0.165 0.000 1.025 116 S CA 1.594 59.765 58.200 -0.049 0.000 0.993 116 S CB -0.803 62.296 63.200 -0.168 0.000 0.808 116 S HN 0.389 nan 8.310 nan 0.000 0.478 117 F N 1.837 121.753 119.950 -0.056 0.000 2.186 117 F HA 0.205 4.732 4.527 -0.000 0.000 0.299 117 F C 2.205 178.126 175.800 0.202 0.000 1.090 117 F CA 0.658 58.687 58.000 0.048 0.000 1.307 117 F CB -0.448 38.552 39.000 -0.000 0.000 1.019 117 F HN 0.197 nan 8.300 nan 0.000 0.489 118 I N -0.365 120.353 120.570 0.247 0.000 2.252 118 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 118 I C 2.464 178.631 176.117 0.084 0.000 1.102 118 I CA 1.558 62.962 61.300 0.173 0.000 1.385 118 I CB -0.611 37.370 38.000 -0.032 0.000 1.064 118 I HN 0.166 nan 8.210 nan 0.000 0.414 119 E N 1.163 121.247 120.200 -0.193 0.000 2.051 119 E HA -0.277 4.073 4.350 -0.000 0.000 0.192 119 E C 2.207 178.696 176.600 -0.186 0.000 0.991 119 E CA 1.521 57.657 56.400 -0.441 0.000 0.799 119 E CB -0.287 28.783 29.700 -1.049 0.000 0.748 119 E HN 0.594 nan 8.360 nan 0.000 0.449 120 W N 0.372 121.492 121.300 -0.300 0.000 2.335 120 W HA -0.250 4.410 4.660 -0.000 0.000 0.311 120 W C 1.389 177.714 176.519 -0.323 0.000 1.213 120 W CA 1.208 58.338 57.345 -0.358 0.000 1.274 120 W CB -0.387 28.762 29.460 -0.518 0.000 1.148 120 W HN 0.139 nan 8.180 nan 0.000 0.498 121 F N 0.759 120.754 119.950 0.076 0.000 2.456 121 F HA 0.051 4.578 4.527 -0.000 0.000 0.298 121 F C 2.654 178.429 175.800 -0.041 0.000 1.104 121 F CA 1.403 59.411 58.000 0.014 0.000 1.435 121 F CB -1.285 37.803 39.000 0.147 0.000 1.078 121 F HN -0.118 nan 8.300 nan 0.000 0.546 122 A N 0.293 123.179 122.820 0.110 0.000 1.883 122 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 122 A C 2.133 179.685 177.584 -0.054 0.000 1.186 122 A CA 2.002 54.072 52.037 0.054 0.000 0.624 122 A CB -0.720 18.303 19.000 0.038 0.000 0.822 122 A HN 0.420 nan 8.150 nan 0.000 0.444 123 E N -0.533 119.558 120.200 -0.182 0.000 2.072 123 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 123 E C 2.013 178.437 176.600 -0.293 0.000 0.985 123 E CA 1.044 57.282 56.400 -0.271 0.000 0.801 123 E CB -0.139 29.317 29.700 -0.406 0.000 0.750 123 E HN 0.511 nan 8.360 nan 0.000 0.452 124 E N 0.272 120.248 120.200 -0.373 0.000 2.153 124 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 124 E C 2.216 178.781 176.600 -0.059 0.000 0.988 124 E CA 0.955 57.201 56.400 -0.257 0.000 0.811 124 E CB -0.384 29.196 29.700 -0.201 0.000 0.746 124 E HN 0.363 nan 8.360 nan 0.000 0.466 125 G N 1.739 110.538 108.800 -0.003 0.000 2.475 125 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.220 125 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.220 125 G C 1.401 176.289 174.900 -0.019 0.000 1.125 125 G CA 0.636 45.750 45.100 0.023 0.000 0.755 125 G HN 0.258 nan 8.290 nan 0.000 0.565 126 K N -0.169 120.198 120.400 -0.055 0.000 2.505 126 K HA 0.180 4.500 4.320 -0.000 0.000 0.192 126 K C 1.279 177.842 176.600 -0.062 0.000 1.025 126 K CA 0.078 56.329 56.287 -0.060 0.000 1.086 126 K CB 0.334 32.791 32.500 -0.071 0.000 0.840 126 K HN 0.189 nan 8.250 nan 0.000 0.514 127 R N 0.392 120.855 120.500 -0.061 0.000 2.590 127 R HA 0.145 4.485 4.340 -0.000 0.000 0.410 127 R C -0.568 175.714 176.300 -0.029 0.000 1.010 127 R CA -0.175 55.887 56.100 -0.062 0.000 1.155 127 R CB 1.171 31.408 30.300 -0.106 0.000 1.455 127 R HN -0.125 nan 8.270 nan 0.000 0.567 128 V N 2.289 122.204 119.914 0.001 0.000 2.409 128 V HA 0.201 4.321 4.120 -0.000 0.000 0.270 128 V C 0.376 176.481 176.094 0.018 0.000 1.019 128 V CA 0.040 62.359 62.300 0.032 0.000 1.066 128 V CB 0.552 32.411 31.823 0.059 0.000 1.021 128 V HN 0.245 nan 8.190 nan 0.000 0.476 129 A N 4.767 127.596 122.820 0.014 0.000 2.342 129 A HA 0.881 5.201 4.320 -0.000 0.000 0.323 129 A C 0.416 178.011 177.584 0.018 0.000 1.125 129 A CA 0.029 52.069 52.037 0.004 0.000 0.785 129 A CB 1.479 20.469 19.000 -0.017 0.000 1.221 129 A HN 0.853 nan 8.150 nan 0.000 0.463 130 G N 0.443 109.254 108.800 0.019 0.000 2.642 130 G HA2 0.592 4.552 3.960 -0.000 0.000 0.291 130 G HA3 0.592 4.552 3.960 -0.000 0.000 0.291 130 G C -1.044 173.869 174.900 0.021 0.000 1.345 130 G CA -0.542 44.575 45.100 0.028 0.000 1.043 130 G HN 0.685 nan 8.290 nan 0.000 0.528 131 D N -1.123 119.294 120.400 0.029 0.000 2.350 131 D HA 0.566 5.206 4.640 -0.000 0.000 0.238 131 D C -0.447 175.870 176.300 0.029 0.000 0.989 131 D CA -0.385 53.629 54.000 0.022 0.000 0.921 131 D CB 1.972 42.783 40.800 0.019 0.000 1.297 131 D HN 0.477 nan 8.370 nan 0.000 0.490 132 T N -0.727 113.839 114.554 0.021 0.000 2.840 132 T HA 0.674 5.024 4.350 -0.000 0.000 0.287 132 T C -0.611 174.100 174.700 0.018 0.000 0.991 132 T CA -0.802 61.313 62.100 0.025 0.000 0.964 132 T CB 0.349 69.228 68.868 0.019 0.000 0.954 132 T HN 0.191 nan 8.240 nan 0.000 0.438 133 L N 3.119 124.355 121.223 0.022 0.000 2.333 133 L HA 0.618 4.958 4.340 -0.000 0.000 0.269 133 L C -2.307 174.569 176.870 0.010 0.000 1.010 133 L CA -2.719 52.126 54.840 0.008 0.000 0.818 133 L CB 1.808 43.862 42.059 -0.008 0.000 1.306 133 L HN 0.436 nan 8.230 nan 0.000 0.430 134 P HA 0.069 nan 4.420 nan 0.000 0.270 134 P C -0.406 176.897 177.300 0.005 0.000 1.242 134 P CA -0.152 62.951 63.100 0.005 0.000 0.768 134 P CB 0.674 32.374 31.700 0.000 0.000 0.820 135 T N 4.255 118.818 114.554 0.014 0.000 2.919 135 T HA 0.215 4.565 4.350 -0.000 0.000 0.302 135 T C -1.085 173.622 174.700 0.012 0.000 1.031 135 T CA -1.350 60.761 62.100 0.020 0.000 1.127 135 T CB 0.050 68.937 68.868 0.033 0.000 0.952 135 T HN 0.309 nan 8.240 nan 0.000 0.540 136 P HA 0.254 nan 4.420 nan 0.000 0.255 136 P C -0.364 176.944 177.300 0.013 0.000 1.248 136 P CA 0.249 63.354 63.100 0.008 0.000 0.807 136 P CB 0.395 32.096 31.700 0.002 0.000 1.150 137 D N -0.013 120.400 120.400 0.020 0.000 2.575 137 D HA 0.333 4.973 4.640 -0.000 0.000 0.250 137 D C 0.687 177.000 176.300 0.021 0.000 1.279 137 D CA -0.432 53.581 54.000 0.021 0.000 0.925 137 D CB 2.255 43.072 40.800 0.028 0.000 1.261 137 D HN -0.170 nan 8.370 nan 0.000 0.567 138 A N 3.877 126.706 122.820 0.015 0.000 2.131 138 A HA -0.186 4.133 4.320 -0.000 0.000 0.220 138 A C 1.398 178.990 177.584 0.013 0.000 1.158 138 A CA 1.089 53.133 52.037 0.013 0.000 0.665 138 A CB -0.116 18.889 19.000 0.009 0.000 0.795 138 A HN 0.579 nan 8.150 nan 0.000 0.460 139 N N -0.469 118.240 118.700 0.015 0.000 2.336 139 N HA 0.080 4.820 4.740 -0.000 0.000 0.189 139 N C -0.119 175.401 175.510 0.016 0.000 1.113 139 N CA 0.509 53.566 53.050 0.013 0.000 0.858 139 N CB 0.363 38.857 38.487 0.011 0.000 0.970 139 N HN 0.531 nan 8.380 nan 0.000 0.471 140 K N 0.085 120.499 120.400 0.024 0.000 2.443 140 K HA 0.511 4.831 4.320 -0.000 0.000 0.251 140 K C -0.814 175.810 176.600 0.040 0.000 0.972 140 K CA -0.727 55.580 56.287 0.033 0.000 0.833 140 K CB 1.867 34.396 32.500 0.048 0.000 1.317 140 K HN -0.285 nan 8.250 nan 0.000 0.441 141 R N 1.376 121.904 120.500 0.047 0.000 2.561 141 R HA 0.486 4.826 4.340 -0.000 0.000 0.297 141 R C -1.101 175.255 176.300 0.094 0.000 0.969 141 R CA -0.523 55.610 56.100 0.054 0.000 0.879 141 R CB 0.928 31.247 30.300 0.033 0.000 1.178 141 R HN 0.559 nan 8.270 nan 0.000 0.445 142 I N 3.627 124.266 120.570 0.114 0.000 2.312 142 I HA 0.380 4.550 4.170 -0.000 0.000 0.290 142 I C -0.485 175.718 176.117 0.144 0.000 1.008 142 I CA -0.887 60.531 61.300 0.196 0.000 1.226 142 I CB 1.358 39.441 38.000 0.139 0.000 1.371 142 I HN 0.085 nan 8.210 nan 0.000 0.468 143 V N 7.390 127.409 119.914 0.174 0.000 2.531 143 V HA 0.394 4.514 4.120 -0.000 0.000 0.301 143 V C -0.200 175.982 176.094 0.146 0.000 1.034 143 V CA -0.664 61.703 62.300 0.112 0.000 0.865 143 V CB 2.374 34.232 31.823 0.059 0.000 0.995 143 V HN 0.379 nan 8.190 nan 0.000 0.424 144 V N 5.680 125.660 119.914 0.111 0.000 2.409 144 V HA 0.621 4.741 4.120 -0.000 0.000 0.291 144 V C -0.073 176.063 176.094 0.071 0.000 1.020 144 V CA -0.573 61.794 62.300 0.112 0.000 0.848 144 V CB 1.924 33.803 31.823 0.094 0.000 0.990 144 V HN 0.762 nan 8.190 nan 0.000 0.430 145 V N 2.601 122.555 119.914 0.067 0.000 2.881 145 V HA 0.738 4.858 4.120 -0.000 0.000 0.316 145 V C -0.481 175.649 176.094 0.059 0.000 1.070 145 V CA -0.947 61.383 62.300 0.050 0.000 0.976 145 V CB 1.967 33.810 31.823 0.033 0.000 1.038 145 V HN 0.788 nan 8.190 nan 0.000 0.446 146 K N 1.751 122.185 120.400 0.056 0.000 2.259 146 K HA 0.720 5.040 4.320 -0.000 0.000 0.249 146 K C -0.966 175.679 176.600 0.075 0.000 0.942 146 K CA -0.569 55.761 56.287 0.071 0.000 0.816 146 K CB 2.207 34.752 32.500 0.075 0.000 1.155 146 K HN 1.038 nan 8.250 nan 0.000 0.428 147 E N 1.053 121.313 120.200 0.100 0.000 2.392 147 E HA 0.358 4.708 4.350 -0.000 0.000 0.279 147 E C -3.007 173.704 176.600 0.185 0.000 0.964 147 E CA -2.357 54.115 56.400 0.121 0.000 0.777 147 E CB 1.820 31.578 29.700 0.096 0.000 1.249 147 E HN 0.155 nan 8.360 nan 0.000 0.449 148 P HA 0.000 nan 4.420 nan 0.000 0.266 148 P C 0.472 177.983 177.300 0.351 0.000 1.195 148 P CA 0.010 63.312 63.100 0.337 0.000 0.768 148 P CB 1.073 33.092 31.700 0.530 0.000 0.838 149 I N 1.061 121.740 120.570 0.182 0.000 2.394 149 I HA -0.023 4.147 4.170 -0.000 0.000 0.251 149 I C 1.098 177.165 176.117 -0.084 0.000 1.136 149 I CA 1.970 63.320 61.300 0.084 0.000 1.425 149 I CB -0.349 37.659 38.000 0.013 0.000 1.079 149 I HN 0.742 nan 8.210 nan 0.000 0.425 150 G N -0.590 107.921 108.800 -0.481 0.000 2.255 150 G HA2 -0.109 3.850 3.960 -0.000 0.000 0.216 150 G HA3 -0.109 3.850 3.960 -0.000 0.000 0.216 150 G C -0.863 173.471 174.900 -0.942 0.000 1.307 150 G CA -0.265 43.966 45.100 -1.447 0.000 1.162 150 G HN -0.027 nan 8.290 nan 0.000 0.494 151 V N 0.946 120.454 119.914 -0.677 0.000 2.439 151 V HA 0.404 4.524 4.120 -0.000 0.000 0.271 151 V C 0.763 176.727 176.094 -0.216 0.000 1.040 151 V CA -0.194 61.876 62.300 -0.384 0.000 1.002 151 V CB 0.106 31.780 31.823 -0.249 0.000 1.000 151 V HN 0.837 nan 8.190 nan 0.000 0.477 152 C N 4.421 123.633 119.300 -0.147 0.000 2.358 152 C HA 0.936 5.396 4.460 -0.000 0.000 0.354 152 C C 0.682 175.651 174.990 -0.035 0.000 1.183 152 C CA -0.533 58.456 59.018 -0.049 0.000 2.150 152 C CB 1.070 28.847 27.740 0.063 0.000 2.361 152 C HN 1.008 nan 8.230 nan 0.000 0.535 153 A N 0.819 123.637 122.820 -0.004 0.000 2.469 153 A HA 0.986 5.306 4.320 -0.000 0.000 0.299 153 A C -0.995 176.615 177.584 0.043 0.000 1.098 153 A CA -0.359 51.682 52.037 0.006 0.000 0.737 153 A CB 1.278 20.277 19.000 -0.001 0.000 1.312 153 A HN 1.668 nan 8.150 nan 0.000 0.414 154 A N 0.889 123.738 122.820 0.048 0.000 2.465 154 A HA 0.667 4.987 4.320 -0.000 0.000 0.292 154 A C -1.201 176.429 177.584 0.077 0.000 1.041 154 A CA -0.214 51.864 52.037 0.068 0.000 0.718 154 A CB 0.664 19.695 19.000 0.051 0.000 1.266 154 A HN 0.722 nan 8.150 nan 0.000 0.403 155 I N 2.626 123.273 120.570 0.128 0.000 2.378 155 I HA 0.574 4.744 4.170 -0.000 0.000 0.291 155 I C 0.281 176.401 176.117 0.006 0.000 0.992 155 I CA -0.317 61.072 61.300 0.149 0.000 1.154 155 I CB 2.349 40.563 38.000 0.357 0.000 1.315 155 I HN 0.786 nan 8.210 nan 0.000 0.448 156 T N 3.661 118.195 114.554 -0.033 0.000 2.906 156 T HA 0.699 5.049 4.350 -0.000 0.000 0.295 156 T C -2.842 171.792 174.700 -0.109 0.000 1.061 156 T CA -1.885 60.145 62.100 -0.116 0.000 1.000 156 T CB 2.417 71.252 68.868 -0.056 0.000 1.103 156 T HN 0.232 nan 8.240 nan 0.000 0.486 157 P HA 0.388 nan 4.420 nan 0.000 0.304 157 P C 0.613 177.839 177.300 -0.125 0.000 1.310 157 P CA -0.890 62.073 63.100 -0.230 0.000 0.796 157 P CB 1.049 32.472 31.700 -0.462 0.000 1.297 158 W N 0.201 121.484 121.300 -0.029 0.000 3.077 158 W HA 0.046 4.705 4.660 -0.000 0.000 0.266 158 W C 0.926 177.439 176.519 -0.011 0.000 1.300 158 W CA 0.191 57.525 57.345 -0.019 0.000 1.586 158 W CB -1.550 27.887 29.460 -0.039 0.000 1.103 158 W HN 0.194 nan 8.180 nan 0.000 0.652 159 N N 1.754 120.185 118.700 -0.447 0.000 2.188 159 N HA -0.175 4.565 4.740 -0.000 0.000 0.184 159 N C -0.098 175.305 175.510 -0.178 0.000 1.018 159 N CA 0.883 53.762 53.050 -0.285 0.000 0.858 159 N CB -1.062 37.160 38.487 -0.441 0.000 0.989 159 N HN 0.094 nan 8.380 nan 0.000 0.426 160 F N 0.526 120.437 119.950 -0.065 0.000 2.550 160 F HA 0.404 4.931 4.527 -0.000 0.000 0.348 160 F C -1.818 173.989 175.800 0.012 0.000 1.219 160 F CA -2.082 55.924 58.000 0.010 0.000 1.203 160 F CB 2.148 41.157 39.000 0.015 0.000 1.436 160 F HN -0.143 nan 8.300 nan 0.000 0.541 161 P HA -0.144 nan 4.420 nan 0.000 0.225 161 P C 1.122 178.493 177.300 0.117 0.000 1.148 161 P CA 1.135 64.308 63.100 0.120 0.000 0.779 161 P CB 0.406 32.180 31.700 0.123 0.000 0.780 162 A N -0.555 122.349 122.820 0.140 0.000 1.970 162 A HA 0.392 4.712 4.320 -0.000 0.000 0.204 162 A C 2.209 179.849 177.584 0.094 0.000 1.325 162 A CA 0.843 52.952 52.037 0.121 0.000 0.767 162 A CB -1.162 17.913 19.000 0.124 0.000 0.949 162 A HN 0.103 nan 8.150 nan 0.000 0.481 163 A N -0.267 122.639 122.820 0.143 0.000 1.933 163 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 163 A C 2.121 179.616 177.584 -0.149 0.000 1.175 163 A CA 1.988 54.043 52.037 0.030 0.000 0.628 163 A CB -0.549 18.564 19.000 0.188 0.000 0.814 163 A HN 0.391 nan 8.150 nan 0.000 0.444 164 M N -0.848 118.707 119.600 -0.075 0.000 2.149 164 M HA -0.120 4.360 4.480 -0.000 0.000 0.261 164 M C 2.048 178.277 176.300 -0.118 0.000 1.064 164 M CA 1.314 56.529 55.300 -0.141 0.000 1.102 164 M CB -1.357 31.194 32.600 -0.082 0.000 1.369 164 M HN 0.354 nan 8.290 nan 0.000 0.408 165 I N 0.595 121.143 120.570 -0.036 0.000 2.163 165 I HA -0.194 3.976 4.170 -0.000 0.000 0.240 165 I C 2.635 178.759 176.117 0.012 0.000 1.081 165 I CA 1.566 62.878 61.300 0.019 0.000 1.353 165 I CB -0.898 37.159 38.000 0.095 0.000 1.054 165 I HN 0.230 nan 8.210 nan 0.000 0.407 166 A N 0.040 122.846 122.820 -0.024 0.000 1.940 166 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 166 A C 2.450 179.955 177.584 -0.133 0.000 1.176 166 A CA 1.751 53.760 52.037 -0.047 0.000 0.631 166 A CB -0.656 18.300 19.000 -0.074 0.000 0.814 166 A HN 0.333 nan 8.150 nan 0.000 0.446 167 R N -0.708 119.576 120.500 -0.361 0.000 2.148 167 R HA -0.051 4.289 4.340 -0.000 0.000 0.227 167 R C 1.821 177.927 176.300 -0.324 0.000 1.103 167 R CA 1.516 57.285 56.100 -0.551 0.000 0.983 167 R CB -0.047 29.797 30.300 -0.760 0.000 0.874 167 R HN 0.528 nan 8.270 nan 0.000 0.451 168 K N -0.921 119.354 120.400 -0.208 0.000 2.329 168 K HA 0.096 4.416 4.320 -0.000 0.000 0.198 168 K C 1.845 178.330 176.600 -0.192 0.000 1.085 168 K CA 0.365 56.566 56.287 -0.144 0.000 0.961 168 K CB 0.409 32.885 32.500 -0.040 0.000 0.971 168 K HN -0.056 nan 8.250 nan 0.000 0.502 169 V N 1.620 121.484 119.914 -0.082 0.000 2.548 169 V HA -0.122 3.998 4.120 -0.000 0.000 0.249 169 V C 2.287 178.361 176.094 -0.034 0.000 1.055 169 V CA 2.050 64.338 62.300 -0.020 0.000 1.065 169 V CB -0.839 31.076 31.823 0.153 0.000 0.681 169 V HN 0.441 nan 8.190 nan 0.000 0.462 170 G N 1.668 110.452 108.800 -0.028 0.000 2.701 170 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.215 170 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.215 170 G C 0.061 174.787 174.900 -0.289 0.000 1.297 170 G CA 1.376 46.473 45.100 -0.005 0.000 0.807 170 G HN 0.522 nan 8.290 nan 0.000 0.608 171 P HA -0.112 nan 4.420 nan 0.000 0.216 171 P C 2.002 178.856 177.300 -0.744 0.000 1.150 171 P CA 2.242 64.733 63.100 -1.016 0.000 0.843 171 P CB -0.232 30.634 31.700 -1.391 0.000 0.787 172 A N -0.038 122.206 122.820 -0.959 0.000 1.845 172 A HA -0.166 4.154 4.320 -0.000 0.000 0.215 172 A C 2.294 179.831 177.584 -0.077 0.000 1.195 172 A CA 1.613 53.323 52.037 -0.545 0.000 0.616 172 A CB -1.655 17.123 19.000 -0.371 0.000 0.832 172 A HN 0.084 nan 8.150 nan 0.000 0.443 173 L N -0.258 120.961 121.223 -0.005 0.000 2.042 173 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 173 L C 2.993 180.105 176.870 0.403 0.000 1.076 173 L CA 1.936 56.942 54.840 0.278 0.000 0.749 173 L CB -0.790 41.377 42.059 0.182 0.000 0.893 173 L HN 0.418 nan 8.230 nan 0.000 0.432 174 A N -0.848 122.088 122.820 0.193 0.000 1.933 174 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 174 A C 2.379 180.035 177.584 0.121 0.000 1.175 174 A CA 1.676 53.810 52.037 0.160 0.000 0.628 174 A CB -0.862 18.236 19.000 0.164 0.000 0.814 174 A HN 0.394 nan 8.150 nan 0.000 0.444 175 A N -2.006 120.884 122.820 0.117 0.000 2.168 175 A HA 0.375 4.695 4.320 -0.000 0.000 0.215 175 A C 1.825 179.516 177.584 0.178 0.000 1.152 175 A CA 1.390 53.514 52.037 0.145 0.000 0.716 175 A CB -0.841 18.268 19.000 0.183 0.000 0.794 175 A HN 1.941 nan 8.150 nan 0.000 0.465 176 G N -2.485 106.455 108.800 0.234 0.000 2.134 176 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.209 176 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.209 176 G C 0.049 175.311 174.900 0.603 0.000 0.993 176 G CA -0.091 45.173 45.100 0.274 0.000 0.669 176 G HN 0.599 nan 8.290 nan 0.000 0.519 177 C N 2.175 121.735 119.300 0.434 0.000 2.370 177 C HA 0.748 5.208 4.460 -0.000 0.000 0.354 177 C C -1.326 173.699 174.990 0.059 0.000 1.218 177 C CA -1.342 57.768 59.018 0.153 0.000 2.154 177 C CB 1.513 29.274 27.740 0.035 0.000 2.391 177 C HN 0.438 nan 8.230 nan 0.000 0.540 178 P HA 0.584 nan 4.420 nan 0.000 0.282 178 P C -0.995 176.196 177.300 -0.182 0.000 1.259 178 P CA -0.261 62.705 63.100 -0.224 0.000 0.826 178 P CB 1.341 32.925 31.700 -0.192 0.000 1.064 179 I N 0.481 120.947 120.570 -0.173 0.000 2.769 179 I HA 0.403 4.573 4.170 -0.000 0.000 0.298 179 I C -1.451 174.605 176.117 -0.101 0.000 1.128 179 I CA -1.250 59.983 61.300 -0.112 0.000 1.031 179 I CB 2.361 40.313 38.000 -0.081 0.000 1.235 179 I HN -0.047 nan 8.210 nan 0.000 0.423 180 V N 7.180 127.054 119.914 -0.067 0.000 2.407 180 V HA 0.433 4.553 4.120 -0.000 0.000 0.291 180 V C -0.477 175.605 176.094 -0.019 0.000 1.018 180 V CA -0.538 61.730 62.300 -0.054 0.000 0.842 180 V CB 1.598 33.387 31.823 -0.057 0.000 0.996 180 V HN 0.427 nan 8.190 nan 0.000 0.426 181 V N 4.791 124.700 119.914 -0.007 0.000 2.513 181 V HA 0.543 4.663 4.120 -0.000 0.000 0.299 181 V C -0.026 176.086 176.094 0.031 0.000 1.035 181 V CA -0.877 61.434 62.300 0.018 0.000 0.889 181 V CB 2.005 33.844 31.823 0.026 0.000 0.988 181 V HN 0.772 nan 8.190 nan 0.000 0.440 182 K N 6.288 126.715 120.400 0.044 0.000 2.507 182 K HA 0.488 4.807 4.320 -0.000 0.000 0.253 182 K C -2.765 173.873 176.600 0.062 0.000 0.969 182 K CA -1.690 54.630 56.287 0.056 0.000 0.908 182 K CB 2.388 34.923 32.500 0.058 0.000 1.127 182 K HN 0.431 nan 8.250 nan 0.000 0.437 183 P HA 0.190 nan 4.420 nan 0.000 0.279 183 P C -0.773 176.575 177.300 0.080 0.000 1.276 183 P CA -0.559 62.581 63.100 0.065 0.000 0.801 183 P CB 0.785 32.525 31.700 0.067 0.000 1.127 184 A N 0.026 122.902 122.820 0.093 0.000 2.498 184 A HA 0.374 4.694 4.320 -0.000 0.000 0.239 184 A C 1.620 179.273 177.584 0.115 0.000 1.068 184 A CA 0.488 52.603 52.037 0.131 0.000 0.766 184 A CB -0.897 18.241 19.000 0.231 0.000 1.003 184 A HN 0.628 nan 8.150 nan 0.000 0.497 185 E N 1.007 121.265 120.200 0.097 0.000 2.274 185 E HA -0.046 4.304 4.350 -0.000 0.000 0.194 185 E C 1.958 178.647 176.600 0.148 0.000 0.996 185 E CA 1.545 58.020 56.400 0.126 0.000 0.840 185 E CB -0.435 29.194 29.700 -0.118 0.000 0.772 185 E HN 0.680 nan 8.360 nan 0.000 0.491 186 S N -0.073 115.668 115.700 0.069 0.000 2.461 186 S HA -0.014 4.456 4.470 -0.000 0.000 0.228 186 S C 1.306 175.916 174.600 0.017 0.000 1.005 186 S CA 1.265 59.477 58.200 0.021 0.000 0.942 186 S CB 0.172 63.308 63.200 -0.108 0.000 0.776 186 S HN 0.766 nan 8.310 nan 0.000 0.514 187 T N -0.916 113.663 114.554 0.040 0.000 3.839 187 T HA 0.305 4.655 4.350 -0.000 0.000 0.230 187 T C -2.361 172.316 174.700 -0.038 0.000 1.095 187 T CA -1.056 61.057 62.100 0.023 0.000 1.470 187 T CB 1.247 70.193 68.868 0.131 0.000 0.881 187 T HN 0.021 nan 8.240 nan 0.000 0.637 188 P HA 0.076 nan 4.420 nan 0.000 0.224 188 P C 1.104 178.330 177.300 -0.122 0.000 1.157 188 P CA 0.290 63.278 63.100 -0.188 0.000 0.799 188 P CB -0.122 31.395 31.700 -0.306 0.000 0.809 189 F N 1.122 121.076 119.950 0.006 0.000 2.161 189 F HA -0.120 4.407 4.527 -0.000 0.000 0.300 189 F C 2.588 178.397 175.800 0.016 0.000 1.089 189 F CA 1.217 59.199 58.000 -0.030 0.000 1.282 189 F CB -1.735 37.218 39.000 -0.077 0.000 1.010 189 F HN -0.074 nan 8.300 nan 0.000 0.485 190 S N -0.000 115.827 115.700 0.212 0.000 2.368 190 S HA -0.164 4.306 4.470 -0.000 0.000 0.225 190 S C 2.403 177.100 174.600 0.162 0.000 1.030 190 S CA 1.053 59.351 58.200 0.163 0.000 0.999 190 S CB -0.751 62.531 63.200 0.137 0.000 0.844 190 S HN 0.369 nan 8.310 nan 0.000 0.459 191 A N 1.337 124.244 122.820 0.145 0.000 1.902 191 A HA -0.007 4.313 4.320 -0.000 0.000 0.217 191 A C 2.101 179.792 177.584 0.179 0.000 1.181 191 A CA 1.172 53.297 52.037 0.146 0.000 0.623 191 A CB -0.671 18.395 19.000 0.111 0.000 0.818 191 A HN 0.459 nan 8.150 nan 0.000 0.443 192 L N -0.947 120.397 121.223 0.203 0.000 2.109 192 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 192 L C 3.073 180.139 176.870 0.326 0.000 1.086 192 L CA 0.835 55.855 54.840 0.301 0.000 0.760 192 L CB -0.591 41.660 42.059 0.320 0.000 0.910 192 L HN 0.408 nan 8.230 nan 0.000 0.437 193 A N 0.125 123.083 122.820 0.229 0.000 1.883 193 A HA -0.245 4.074 4.320 -0.000 0.000 0.217 193 A C 2.321 180.080 177.584 0.293 0.000 1.186 193 A CA 1.945 54.109 52.037 0.212 0.000 0.624 193 A CB -0.510 18.577 19.000 0.144 0.000 0.822 193 A HN 0.348 nan 8.150 nan 0.000 0.444 194 M N -0.861 118.906 119.600 0.277 0.000 2.319 194 M HA -0.067 4.413 4.480 -0.000 0.000 0.265 194 M C 2.455 178.963 176.300 0.346 0.000 1.068 194 M CA 0.999 56.524 55.300 0.375 0.000 1.118 194 M CB -0.362 32.470 32.600 0.387 0.000 1.395 194 M HN 0.522 nan 8.290 nan 0.000 0.435 195 A N 0.219 123.148 122.820 0.182 0.000 1.902 195 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 195 A C 1.933 179.416 177.584 -0.168 0.000 1.181 195 A CA 1.315 53.285 52.037 -0.113 0.000 0.623 195 A CB -0.907 17.968 19.000 -0.210 0.000 0.818 195 A HN 0.508 nan 8.150 nan 0.000 0.443 196 F N 0.449 120.428 119.950 0.048 0.000 2.171 196 F HA -0.069 4.458 4.527 -0.000 0.000 0.300 196 F C 1.802 177.636 175.800 0.058 0.000 1.090 196 F CA 1.395 59.480 58.000 0.141 0.000 1.293 196 F CB -0.155 38.911 39.000 0.110 0.000 1.013 196 F HN 0.125 nan 8.300 nan 0.000 0.486 197 L N -0.482 120.784 121.223 0.072 0.000 2.179 197 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 197 L C 2.671 179.554 176.870 0.022 0.000 1.096 197 L CA 0.874 55.751 54.840 0.062 0.000 0.779 197 L CB -0.987 41.246 42.059 0.290 0.000 0.922 197 L HN 0.207 nan 8.230 nan 0.000 0.443 198 A N -0.320 122.377 122.820 -0.205 0.000 2.015 198 A HA -0.220 4.099 4.320 -0.000 0.000 0.219 198 A C 2.223 179.564 177.584 -0.406 0.000 1.163 198 A CA 1.467 53.056 52.037 -0.746 0.000 0.646 198 A CB -0.318 17.983 19.000 -1.166 0.000 0.806 198 A HN 0.442 nan 8.150 nan 0.000 0.448 199 E N -0.291 119.724 120.200 -0.307 0.000 2.047 199 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 199 E C 2.254 178.754 176.600 -0.167 0.000 0.987 199 E CA 0.791 57.077 56.400 -0.191 0.000 0.799 199 E CB -0.102 29.520 29.700 -0.131 0.000 0.752 199 E HN 0.552 nan 8.360 nan 0.000 0.449 200 R N -0.251 120.105 120.500 -0.240 0.000 2.120 200 R HA -0.101 4.239 4.340 -0.000 0.000 0.234 200 R C 2.206 178.468 176.300 -0.063 0.000 1.123 200 R CA 1.016 57.015 56.100 -0.169 0.000 0.975 200 R CB -0.163 30.007 30.300 -0.215 0.000 0.866 200 R HN 0.150 nan 8.270 nan 0.000 0.446 201 A N -0.449 122.346 122.820 -0.041 0.000 2.066 201 A HA 0.068 4.388 4.320 -0.000 0.000 0.218 201 A C 1.408 179.008 177.584 0.027 0.000 1.157 201 A CA 1.279 53.340 52.037 0.039 0.000 0.670 201 A CB -0.096 18.967 19.000 0.106 0.000 0.804 201 A HN 0.482 nan 8.150 nan 0.000 0.453 202 G N -1.955 106.832 108.800 -0.021 0.000 2.135 202 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.183 202 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.183 202 G C 0.020 174.923 174.900 0.006 0.000 1.004 202 G CA -0.100 45.006 45.100 0.010 0.000 0.677 202 G HN 0.719 nan 8.290 nan 0.000 0.512 203 V N 2.145 122.000 119.914 -0.097 0.000 2.450 203 V HA 0.272 4.392 4.120 -0.000 0.000 0.281 203 V C -0.952 175.052 176.094 -0.150 0.000 1.019 203 V CA -0.694 61.489 62.300 -0.196 0.000 1.062 203 V CB 0.779 32.366 31.823 -0.393 0.000 0.979 203 V HN 0.234 nan 8.190 nan 0.000 0.477 204 P HA 0.195 nan 4.420 nan 0.000 0.267 204 P C 0.038 177.266 177.300 -0.121 0.000 1.200 204 P CA -0.009 63.054 63.100 -0.062 0.000 0.772 204 P CB 0.306 32.018 31.700 0.021 0.000 0.855 205 K N 1.682 122.033 120.400 -0.082 0.000 2.472 205 K HA 0.370 4.689 4.320 -0.000 0.000 0.280 205 K C 1.388 177.897 176.600 -0.152 0.000 1.028 205 K CA 0.355 56.566 56.287 -0.128 0.000 1.045 205 K CB -1.292 31.146 32.500 -0.102 0.000 0.902 205 K HN 0.926 nan 8.250 nan 0.000 0.478 206 G N 0.254 108.925 108.800 -0.215 0.000 2.308 206 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.221 206 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.221 206 G C 1.441 176.212 174.900 -0.213 0.000 1.032 206 G CA 0.547 45.532 45.100 -0.192 0.000 0.623 206 G HN 1.127 nan 8.290 nan 0.000 0.506 207 V N 0.374 120.119 119.914 -0.283 0.000 2.515 207 V HA 0.263 4.383 4.120 -0.000 0.000 0.250 207 V C 1.119 176.993 176.094 -0.366 0.000 1.058 207 V CA 2.059 64.099 62.300 -0.433 0.000 1.064 207 V CB -0.092 31.237 31.823 -0.824 0.000 0.675 207 V HN 0.598 nan 8.190 nan 0.000 0.461 208 L N -0.452 120.602 121.223 -0.283 0.000 2.410 208 L HA 0.665 5.005 4.340 -0.000 0.000 0.270 208 L C -0.687 176.120 176.870 -0.105 0.000 0.983 208 L CA 0.202 54.929 54.840 -0.188 0.000 0.822 208 L CB 2.183 44.115 42.059 -0.212 0.000 1.285 208 L HN -0.014 nan 8.230 nan 0.000 0.409 209 S N 3.264 118.910 115.700 -0.090 0.000 2.541 209 S HA 0.772 5.242 4.470 -0.000 0.000 0.280 209 S C -1.212 173.383 174.600 -0.009 0.000 1.112 209 S CA -0.630 57.516 58.200 -0.090 0.000 0.925 209 S CB 2.112 65.213 63.200 -0.164 0.000 1.067 209 S HN 0.379 nan 8.310 nan 0.000 0.479 210 V N 3.127 123.062 119.914 0.035 0.000 2.378 210 V HA 0.438 4.558 4.120 -0.000 0.000 0.288 210 V C -0.563 175.549 176.094 0.031 0.000 1.016 210 V CA -0.617 61.711 62.300 0.047 0.000 0.840 210 V CB 1.414 33.288 31.823 0.085 0.000 0.994 210 V HN 0.727 nan 8.190 nan 0.000 0.431 211 V N 6.093 126.023 119.914 0.027 0.000 2.398 211 V HA 0.545 4.664 4.120 -0.000 0.000 0.286 211 V C -0.175 175.958 176.094 0.063 0.000 1.026 211 V CA -0.520 61.798 62.300 0.030 0.000 0.868 211 V CB 1.645 33.476 31.823 0.012 0.000 0.982 211 V HN 0.585 nan 8.190 nan 0.000 0.443 212 I N 3.760 124.381 120.570 0.085 0.000 2.433 212 I HA 0.923 5.093 4.170 -0.000 0.000 0.292 212 I C 0.615 176.845 176.117 0.189 0.000 1.001 212 I CA 0.074 61.457 61.300 0.138 0.000 1.119 212 I CB 1.104 39.175 38.000 0.117 0.000 1.289 212 I HN 0.854 nan 8.210 nan 0.000 0.438 213 G N 5.431 114.368 108.800 0.230 0.000 2.564 213 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.139 213 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.139 213 G C -1.429 173.484 174.900 0.021 0.000 1.147 213 G CA -0.553 44.672 45.100 0.208 0.000 1.031 213 G HN 0.453 nan 8.290 nan 0.000 0.482 214 D N 2.269 122.666 120.400 -0.005 0.000 2.382 214 D HA 0.289 4.929 4.640 -0.000 0.000 0.259 214 D C -0.777 175.504 176.300 -0.032 0.000 1.224 214 D CA -1.352 52.616 54.000 -0.054 0.000 0.894 214 D CB 1.869 42.652 40.800 -0.029 0.000 1.127 214 D HN -0.007 nan 8.370 nan 0.000 0.487 215 P HA -0.157 nan 4.420 nan 0.000 0.217 215 P C 1.105 178.402 177.300 -0.005 0.000 1.150 215 P CA 1.498 64.591 63.100 -0.012 0.000 0.832 215 P CB 0.263 31.956 31.700 -0.012 0.000 0.787 216 K N 0.439 120.829 120.400 -0.017 0.000 2.031 216 K HA 0.110 4.430 4.320 -0.000 0.000 0.205 216 K C 2.394 178.986 176.600 -0.014 0.000 1.049 216 K CA 1.601 57.878 56.287 -0.017 0.000 0.939 216 K CB -1.615 30.873 32.500 -0.020 0.000 0.717 216 K HN 0.172 nan 8.250 nan 0.000 0.438 217 A N 0.789 123.601 122.820 -0.012 0.000 1.902 217 A HA 0.027 4.347 4.320 -0.000 0.000 0.217 217 A C 2.445 180.027 177.584 -0.004 0.000 1.181 217 A CA 1.624 53.657 52.037 -0.007 0.000 0.623 217 A CB -0.331 18.667 19.000 -0.004 0.000 0.818 217 A HN 0.489 nan 8.150 nan 0.000 0.443 218 I N -0.741 119.830 120.570 0.001 0.000 2.333 218 I HA -0.105 4.065 4.170 -0.000 0.000 0.246 218 I C 2.709 178.827 176.117 0.002 0.000 1.106 218 I CA 0.928 62.232 61.300 0.006 0.000 1.411 218 I CB -0.607 37.404 38.000 0.018 0.000 1.082 218 I HN 0.388 nan 8.210 nan 0.000 0.420 219 G N 0.272 109.074 108.800 0.002 0.000 2.442 219 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.219 219 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.219 219 G C 1.653 176.541 174.900 -0.021 0.000 1.141 219 G CA 1.431 46.528 45.100 -0.006 0.000 0.763 219 G HN 0.263 nan 8.290 nan 0.000 0.554 220 T N 0.390 114.931 114.554 -0.021 0.000 2.821 220 T HA -0.047 4.303 4.350 -0.000 0.000 0.267 220 T C 2.202 176.890 174.700 -0.020 0.000 1.046 220 T CA 1.571 63.657 62.100 -0.024 0.000 1.139 220 T CB -0.041 68.815 68.868 -0.020 0.000 0.871 220 T HN 0.435 nan 8.240 nan 0.000 0.454 221 E N 1.152 121.343 120.200 -0.015 0.000 2.072 221 E HA -0.018 4.332 4.350 -0.000 0.000 0.191 221 E C 1.976 178.565 176.600 -0.018 0.000 0.985 221 E CA 0.979 57.370 56.400 -0.015 0.000 0.801 221 E CB -0.495 29.198 29.700 -0.011 0.000 0.750 221 E HN 0.496 nan 8.360 nan 0.000 0.452 222 I N 0.740 121.300 120.570 -0.017 0.000 2.127 222 I HA -0.308 3.862 4.170 -0.000 0.000 0.241 222 I C 2.425 178.527 176.117 -0.025 0.000 1.075 222 I CA 1.912 63.201 61.300 -0.019 0.000 1.334 222 I CB -0.706 37.288 38.000 -0.009 0.000 1.040 222 I HN 0.316 nan 8.210 nan 0.000 0.405 223 T N -2.283 112.253 114.554 -0.031 0.000 2.929 223 T HA -0.122 4.228 4.350 -0.000 0.000 0.271 223 T C 1.725 176.406 174.700 -0.032 0.000 1.085 223 T CA 1.369 63.446 62.100 -0.038 0.000 1.125 223 T CB -0.419 68.419 68.868 -0.051 0.000 0.874 223 T HN 0.476 nan 8.240 nan 0.000 0.494 224 S N 0.085 115.769 115.700 -0.026 0.000 2.505 224 S HA 0.178 4.648 4.470 -0.000 0.000 0.216 224 S C 0.806 175.395 174.600 -0.019 0.000 1.018 224 S CA -0.579 57.608 58.200 -0.022 0.000 0.911 224 S CB -0.494 62.694 63.200 -0.020 0.000 0.818 224 S HN 0.401 nan 8.310 nan 0.000 0.497 225 N N 3.893 122.581 118.700 -0.020 0.000 2.452 225 N HA 0.168 4.908 4.740 -0.000 0.000 0.266 225 N C -1.768 173.731 175.510 -0.019 0.000 1.209 225 N CA -1.192 51.847 53.050 -0.018 0.000 0.929 225 N CB 1.423 39.898 38.487 -0.021 0.000 1.063 225 N HN 0.175 nan 8.380 nan 0.000 0.472 226 P HA -0.045 nan 4.420 nan 0.000 0.226 226 P C 1.380 178.673 177.300 -0.011 0.000 1.153 226 P CA 0.792 63.886 63.100 -0.010 0.000 0.777 226 P CB 0.379 32.078 31.700 -0.002 0.000 0.794 227 I N -0.726 119.835 120.570 -0.014 0.000 2.546 227 I HA -0.090 4.079 4.170 -0.000 0.000 0.255 227 I C 0.754 176.839 176.117 -0.052 0.000 1.163 227 I CA 0.580 61.868 61.300 -0.019 0.000 1.457 227 I CB -0.308 37.683 38.000 -0.015 0.000 1.092 227 I HN -0.268 nan 8.210 nan 0.000 0.434 228 V N 2.744 122.627 119.914 -0.052 0.000 2.397 228 V HA 0.069 4.189 4.120 -0.000 0.000 0.262 228 V C 1.282 177.338 176.094 -0.065 0.000 1.047 228 V CA 0.256 62.516 62.300 -0.067 0.000 1.003 228 V CB 0.315 32.107 31.823 -0.051 0.000 1.037 228 V HN 0.299 nan 8.190 nan 0.000 0.480 229 R N 3.015 123.461 120.500 -0.090 0.000 2.254 229 R HA 0.136 4.476 4.340 -0.000 0.000 0.195 229 R C 0.633 176.890 176.300 -0.072 0.000 0.957 229 R CA 0.330 56.385 56.100 -0.074 0.000 1.024 229 R CB 0.383 30.633 30.300 -0.084 0.000 0.952 229 R HN 0.757 nan 8.270 nan 0.000 0.484 230 K N 0.141 120.491 120.400 -0.083 0.000 2.508 230 K HA 0.375 4.695 4.320 -0.000 0.000 0.260 230 K C -1.796 174.767 176.600 -0.063 0.000 0.949 230 K CA -0.928 55.307 56.287 -0.086 0.000 0.834 230 K CB 1.899 34.316 32.500 -0.137 0.000 1.365 230 K HN -0.113 nan 8.250 nan 0.000 0.437 231 L N 1.283 122.474 121.223 -0.053 0.000 2.409 231 L HA 0.563 4.903 4.340 -0.000 0.000 0.272 231 L C -1.393 175.482 176.870 0.009 0.000 0.980 231 L CA 0.015 54.849 54.840 -0.011 0.000 0.826 231 L CB 2.238 44.292 42.059 -0.008 0.000 1.268 231 L HN 0.794 nan 8.230 nan 0.000 0.407 232 S N 4.457 120.190 115.700 0.055 0.000 2.472 232 S HA 0.807 5.277 4.470 -0.000 0.000 0.303 232 S C -1.316 173.387 174.600 0.171 0.000 1.099 232 S CA -0.390 57.861 58.200 0.085 0.000 1.077 232 S CB 0.661 63.918 63.200 0.095 0.000 1.031 232 S HN 0.559 nan 8.310 nan 0.000 0.487 233 F N 2.799 122.746 119.950 -0.005 0.000 2.588 233 F HA 0.557 5.084 4.527 -0.000 0.000 0.314 233 F C -0.975 174.824 175.800 -0.001 0.000 1.134 233 F CA -0.168 57.829 58.000 -0.004 0.000 0.961 233 F CB 1.892 40.889 39.000 -0.005 0.000 1.239 233 F HN 0.459 nan 8.300 nan 0.000 0.448 234 T N 4.731 118.767 114.554 -0.864 0.000 2.847 234 T HA 0.804 5.154 4.350 -0.000 0.000 0.291 234 T C -0.124 173.892 174.700 -1.140 0.000 0.998 234 T CA -0.268 61.388 62.100 -0.740 0.000 0.967 234 T CB 1.176 69.830 68.868 -0.356 0.000 0.954 234 T HN 1.096 nan 8.240 nan 0.000 0.441 235 G N 1.813 110.070 108.800 -0.906 0.000 2.393 235 G HA2 0.520 4.480 3.960 -0.000 0.000 0.264 235 G HA3 0.520 4.480 3.960 -0.000 0.000 0.264 235 G C -0.638 174.245 174.900 -0.028 0.000 1.221 235 G CA -0.362 44.454 45.100 -0.474 0.000 0.912 235 G HN 0.855 nan 8.290 nan 0.000 0.483 236 S N -0.549 115.238 115.700 0.145 0.000 2.592 236 S HA 0.439 4.909 4.470 -0.000 0.000 0.271 236 S C 1.336 176.084 174.600 0.248 0.000 1.326 236 S CA 0.948 59.241 58.200 0.155 0.000 1.024 236 S CB 1.316 64.585 63.200 0.116 0.000 0.921 236 S HN 0.747 nan 8.310 nan 0.000 0.527 237 T N 2.330 117.003 114.554 0.198 0.000 2.746 237 T HA -0.086 4.264 4.350 -0.000 0.000 0.267 237 T C 2.227 177.028 174.700 0.169 0.000 1.039 237 T CA 1.515 63.752 62.100 0.227 0.000 1.142 237 T CB -0.961 68.115 68.868 0.347 0.000 0.866 237 T HN 0.851 nan 8.240 nan 0.000 0.444 238 A N 1.119 124.031 122.820 0.153 0.000 1.892 238 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 238 A C 2.610 180.223 177.584 0.049 0.000 1.188 238 A CA 1.883 53.979 52.037 0.099 0.000 0.631 238 A CB -1.147 17.911 19.000 0.097 0.000 0.822 238 A HN 0.373 nan 8.150 nan 0.000 0.447 239 V N -0.300 119.650 119.914 0.061 0.000 2.379 239 V HA -0.102 4.018 4.120 -0.000 0.000 0.245 239 V C 2.841 178.794 176.094 -0.236 0.000 1.044 239 V CA 1.694 63.971 62.300 -0.038 0.000 1.036 239 V CB -1.521 30.341 31.823 0.065 0.000 0.664 239 V HN 0.631 nan 8.190 nan 0.000 0.453 240 G N 0.074 108.781 108.800 -0.154 0.000 2.469 240 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.219 240 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.219 240 G C 1.750 176.552 174.900 -0.162 0.000 1.150 240 G CA 1.098 46.053 45.100 -0.241 0.000 0.763 240 G HN 0.428 nan 8.290 nan 0.000 0.561 241 R N -0.301 120.163 120.500 -0.060 0.000 2.083 241 R HA 0.046 4.386 4.340 -0.000 0.000 0.237 241 R C 2.691 178.943 176.300 -0.079 0.000 1.137 241 R CA 1.205 57.278 56.100 -0.044 0.000 0.951 241 R CB -0.473 29.824 30.300 -0.005 0.000 0.851 241 R HN 0.355 nan 8.270 nan 0.000 0.434 242 L N 0.413 121.576 121.223 -0.098 0.000 2.046 242 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 242 L C 2.337 179.128 176.870 -0.131 0.000 1.077 242 L CA 1.184 55.965 54.840 -0.097 0.000 0.747 242 L CB -0.500 41.509 42.059 -0.084 0.000 0.896 242 L HN 0.204 nan 8.230 nan 0.000 0.432 243 L N -0.913 120.180 121.223 -0.216 0.000 2.042 243 L HA -0.276 4.064 4.340 -0.000 0.000 0.210 243 L C 2.690 179.471 176.870 -0.149 0.000 1.076 243 L CA 1.427 56.131 54.840 -0.228 0.000 0.749 243 L CB -0.450 41.363 42.059 -0.409 0.000 0.893 243 L HN 0.360 nan 8.230 nan 0.000 0.432 244 M N -0.029 119.493 119.600 -0.131 0.000 2.065 244 M HA -0.253 4.227 4.480 -0.000 0.000 0.259 244 M C 2.416 178.679 176.300 -0.062 0.000 1.069 244 M CA 2.243 57.496 55.300 -0.078 0.000 1.110 244 M CB -0.161 32.405 32.600 -0.056 0.000 1.328 244 M HN 0.251 nan 8.290 nan 0.000 0.405 245 A N -0.134 122.650 122.820 -0.061 0.000 1.908 245 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 245 A C 1.916 179.473 177.584 -0.046 0.000 1.181 245 A CA 2.052 54.061 52.037 -0.047 0.000 0.627 245 A CB -0.876 18.098 19.000 -0.043 0.000 0.818 245 A HN 0.767 nan 8.150 nan 0.000 0.445 246 Q N -0.356 119.409 119.800 -0.058 0.000 2.378 246 Q HA 0.001 4.341 4.340 -0.000 0.000 0.205 246 Q C 1.707 177.679 176.000 -0.046 0.000 0.954 246 Q CA 1.191 56.963 55.803 -0.051 0.000 0.901 246 Q CB 0.041 28.743 28.738 -0.060 0.000 0.981 246 Q HN 0.627 nan 8.270 nan 0.000 0.483 247 S N 0.331 116.001 115.700 -0.050 0.000 2.575 247 S HA 0.144 4.614 4.470 -0.000 0.000 0.215 247 S C 1.766 176.346 174.600 -0.033 0.000 0.966 247 S CA 0.333 58.507 58.200 -0.043 0.000 0.911 247 S CB 0.282 63.453 63.200 -0.048 0.000 0.780 247 S HN 0.406 nan 8.310 nan 0.000 0.514 248 A N 3.171 125.972 122.820 -0.032 0.000 1.865 248 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 248 A C -0.180 177.393 177.584 -0.020 0.000 1.191 248 A CA 1.366 53.389 52.037 -0.025 0.000 0.623 248 A CB -1.963 17.023 19.000 -0.024 0.000 0.826 248 A HN 0.348 nan 8.150 nan 0.000 0.444 249 P HA -0.120 nan 4.420 nan 0.000 0.219 249 P C 0.851 178.144 177.300 -0.013 0.000 1.144 249 P CA 1.981 65.072 63.100 -0.015 0.000 0.806 249 P CB -0.166 31.525 31.700 -0.015 0.000 0.771 250 T N -6.241 108.304 114.554 -0.016 0.000 3.091 250 T HA 0.195 4.545 4.350 -0.000 0.000 0.277 250 T C 0.608 175.300 174.700 -0.014 0.000 0.996 250 T CA -0.337 61.755 62.100 -0.013 0.000 0.897 250 T CB -0.425 68.433 68.868 -0.016 0.000 1.109 250 T HN -0.090 nan 8.240 nan 0.000 0.534 251 V N 2.159 122.064 119.914 -0.016 0.000 5.578 251 V HA -0.244 3.876 4.120 -0.000 0.000 0.275 251 V C 0.096 176.178 176.094 -0.019 0.000 0.642 251 V CA 0.684 62.975 62.300 -0.015 0.000 0.613 251 V CB -1.573 30.245 31.823 -0.009 0.000 0.301 251 V HN 0.627 nan 8.190 nan 0.000 0.782 252 K N 1.456 121.841 120.400 -0.026 0.000 2.382 252 K HA 0.197 4.517 4.320 -0.000 0.000 0.275 252 K C 0.307 176.884 176.600 -0.038 0.000 1.009 252 K CA -0.252 56.014 56.287 -0.034 0.000 0.970 252 K CB 0.705 33.182 32.500 -0.039 0.000 0.934 252 K HN 0.511 nan 8.250 nan 0.000 0.479 253 K N 2.963 123.335 120.400 -0.047 0.000 2.416 253 K HA 0.060 4.380 4.320 -0.000 0.000 0.283 253 K C -0.957 175.600 176.600 -0.072 0.000 1.037 253 K CA -0.052 56.200 56.287 -0.059 0.000 0.995 253 K CB 0.252 32.707 32.500 -0.074 0.000 0.938 253 K HN 0.254 nan 8.250 nan 0.000 0.475 254 L N 3.638 124.827 121.223 -0.057 0.000 2.334 254 L HA 0.503 4.843 4.340 -0.000 0.000 0.273 254 L C -0.499 176.344 176.870 -0.044 0.000 1.013 254 L CA -0.136 54.678 54.840 -0.044 0.000 0.816 254 L CB 2.243 44.288 42.059 -0.023 0.000 1.278 254 L HN 0.770 nan 8.230 nan 0.000 0.431 255 T N 4.053 118.594 114.554 -0.023 0.000 2.840 255 T HA 0.665 5.015 4.350 -0.000 0.000 0.287 255 T C -0.611 174.135 174.700 0.077 0.000 0.991 255 T CA -0.318 61.784 62.100 0.003 0.000 0.964 255 T CB 0.797 69.646 68.868 -0.033 0.000 0.954 255 T HN 0.267 nan 8.240 nan 0.000 0.438 256 L N 3.285 124.563 121.223 0.092 0.000 2.388 256 L HA 0.424 4.764 4.340 -0.000 0.000 0.267 256 L C -0.049 176.897 176.870 0.127 0.000 0.995 256 L CA -0.756 54.182 54.840 0.164 0.000 0.864 256 L CB 1.438 43.588 42.059 0.151 0.000 1.216 256 L HN 0.483 nan 8.230 nan 0.000 0.430 257 E N 5.506 125.766 120.200 0.101 0.000 1.993 257 E HA 0.428 4.778 4.350 -0.000 0.000 0.271 257 E C -0.411 176.222 176.600 0.055 0.000 1.008 257 E CA -0.148 56.294 56.400 0.069 0.000 0.814 257 E CB 1.630 31.359 29.700 0.048 0.000 1.098 257 E HN 0.507 nan 8.360 nan 0.000 0.407 258 L N 0.140 121.422 121.223 0.098 0.000 2.585 258 L HA 0.585 4.925 4.340 -0.000 0.000 0.260 258 L C 1.198 178.105 176.870 0.062 0.000 1.085 258 L CA -1.304 53.608 54.840 0.119 0.000 0.913 258 L CB 0.226 42.398 42.059 0.188 0.000 1.638 258 L HN 0.361 nan 8.230 nan 0.000 0.531 259 G N -1.313 107.496 108.800 0.015 0.000 2.636 259 G HA2 0.469 4.429 3.960 -0.000 0.000 0.246 259 G HA3 0.469 4.429 3.960 -0.000 0.000 0.246 259 G C -0.257 174.458 174.900 -0.308 0.000 1.216 259 G CA 0.280 45.286 45.100 -0.156 0.000 0.854 259 G HN 0.767 nan 8.290 nan 0.000 0.572 260 G N -1.188 107.403 108.800 -0.348 0.000 3.211 260 G HA2 0.453 4.413 3.960 -0.000 0.000 0.262 260 G HA3 0.453 4.413 3.960 -0.000 0.000 0.262 260 G C -0.468 174.293 174.900 -0.232 0.000 1.352 260 G CA -0.502 44.477 45.100 -0.203 0.000 1.004 260 G HN 0.671 nan 8.290 nan 0.000 0.559 261 N N -1.029 117.695 118.700 0.040 0.000 2.581 261 N HA 0.288 5.028 4.740 -0.000 0.000 0.274 261 N C 0.131 175.696 175.510 0.092 0.000 1.629 261 N CA 0.015 53.118 53.050 0.088 0.000 0.884 261 N CB 0.445 39.098 38.487 0.276 0.000 1.423 261 N HN 0.749 nan 8.380 nan 0.000 0.507 262 A N 1.687 124.510 122.820 0.005 0.000 2.580 262 A HA 0.282 4.602 4.320 -0.000 0.000 0.244 262 A C -2.250 175.293 177.584 -0.068 0.000 1.045 262 A CA -0.044 51.947 52.037 -0.076 0.000 0.761 262 A CB -0.266 18.706 19.000 -0.046 0.000 0.962 262 A HN 0.304 nan 8.150 nan 0.000 0.512 263 P HA 0.435 nan 4.420 nan 0.000 0.296 263 P C -1.074 176.262 177.300 0.061 0.000 1.301 263 P CA -0.314 62.786 63.100 0.001 0.000 0.862 263 P CB 0.922 32.614 31.700 -0.014 0.000 1.046 264 F N 3.958 123.875 119.950 -0.056 0.000 2.347 264 F HA 0.503 5.029 4.527 -0.000 0.000 0.366 264 F C -0.581 175.298 175.800 0.132 0.000 1.107 264 F CA -0.915 57.101 58.000 0.025 0.000 1.058 264 F CB 0.505 39.320 39.000 -0.309 0.000 1.236 264 F HN 0.101 nan 8.300 nan 0.000 0.456 265 I N 6.993 127.554 120.570 -0.015 0.000 2.315 265 I HA 0.338 4.508 4.170 -0.000 0.000 0.291 265 I C -0.872 175.318 176.117 0.122 0.000 1.006 265 I CA -0.816 60.526 61.300 0.070 0.000 1.265 265 I CB 1.434 39.414 38.000 -0.034 0.000 1.387 265 I HN 0.224 nan 8.210 nan 0.000 0.475 266 V N 7.224 127.259 119.914 0.202 0.000 2.378 266 V HA 0.375 4.495 4.120 -0.000 0.000 0.288 266 V C -0.172 176.081 176.094 0.265 0.000 1.016 266 V CA -0.496 61.910 62.300 0.177 0.000 0.840 266 V CB 1.147 32.889 31.823 -0.134 0.000 0.994 266 V HN 0.400 nan 8.190 nan 0.000 0.431 267 F N 1.899 122.017 119.950 0.280 0.000 2.380 267 F HA 0.295 4.822 4.527 -0.000 0.000 0.319 267 F C 1.742 177.586 175.800 0.074 0.000 1.113 267 F CA 0.035 58.201 58.000 0.277 0.000 1.056 267 F CB 0.712 39.841 39.000 0.214 0.000 1.289 267 F HN 0.551 nan 8.300 nan 0.000 0.515 268 D N 0.763 121.225 120.400 0.103 0.000 2.242 268 D HA -0.265 4.375 4.640 -0.000 0.000 0.190 268 D C 1.236 177.559 176.300 0.038 0.000 1.012 268 D CA 2.234 56.149 54.000 -0.141 0.000 0.875 268 D CB -0.146 40.500 40.800 -0.256 0.000 0.922 268 D HN 0.635 nan 8.370 nan 0.000 0.448 269 D N -1.242 119.229 120.400 0.119 0.000 2.431 269 D HA 0.228 4.868 4.640 -0.000 0.000 0.213 269 D C 0.269 176.649 176.300 0.133 0.000 1.130 269 D CA -0.179 53.878 54.000 0.095 0.000 0.834 269 D CB -0.466 40.367 40.800 0.055 0.000 0.985 269 D HN 0.171 nan 8.370 nan 0.000 0.504 270 A N 0.660 123.598 122.820 0.198 0.000 2.466 270 A HA 0.159 4.479 4.320 -0.000 0.000 0.238 270 A C 0.279 177.983 177.584 0.201 0.000 1.074 270 A CA -0.131 52.049 52.037 0.239 0.000 0.774 270 A CB 0.158 19.346 19.000 0.314 0.000 1.015 270 A HN 0.149 nan 8.150 nan 0.000 0.498 271 D N 1.447 121.982 120.400 0.224 0.000 2.338 271 D HA 0.162 4.802 4.640 -0.000 0.000 0.255 271 D C 0.804 177.225 176.300 0.201 0.000 1.237 271 D CA -0.261 53.852 54.000 0.188 0.000 0.883 271 D CB 0.499 41.405 40.800 0.177 0.000 1.087 271 D HN 0.260 nan 8.370 nan 0.000 0.485 272 L N 3.957 125.281 121.223 0.168 0.000 2.056 272 L HA -0.122 4.218 4.340 -0.000 0.000 0.207 272 L C 1.875 178.830 176.870 0.141 0.000 1.078 272 L CA 1.397 56.351 54.840 0.190 0.000 0.749 272 L CB -0.386 41.775 42.059 0.170 0.000 0.901 272 L HN 0.451 nan 8.230 nan 0.000 0.433 273 D N -0.660 119.797 120.400 0.096 0.000 2.144 273 D HA -0.131 4.509 4.640 -0.000 0.000 0.200 273 D C 2.187 178.536 176.300 0.082 0.000 0.978 273 D CA 1.391 55.426 54.000 0.059 0.000 0.833 273 D CB 0.006 40.833 40.800 0.045 0.000 0.961 273 D HN 0.343 nan 8.370 nan 0.000 0.470 274 A N 1.239 124.140 122.820 0.135 0.000 1.933 274 A HA -0.024 4.296 4.320 -0.000 0.000 0.218 274 A C 2.335 180.010 177.584 0.153 0.000 1.175 274 A CA 2.003 54.163 52.037 0.205 0.000 0.628 274 A CB -0.555 18.623 19.000 0.297 0.000 0.814 274 A HN 0.237 nan 8.150 nan 0.000 0.444 275 A N -0.639 122.174 122.820 -0.012 0.000 1.930 275 A HA 0.048 4.368 4.320 -0.000 0.000 0.217 275 A C 2.192 179.819 177.584 0.071 0.000 1.175 275 A CA 1.640 53.452 52.037 -0.375 0.000 0.627 275 A CB -0.783 18.151 19.000 -0.110 0.000 0.815 275 A HN 0.357 nan 8.150 nan 0.000 0.443 276 V N 0.124 120.099 119.914 0.101 0.000 2.358 276 V HA -0.193 3.927 4.120 -0.000 0.000 0.246 276 V C 3.096 179.167 176.094 -0.038 0.000 1.047 276 V CA 2.509 64.776 62.300 -0.054 0.000 1.035 276 V CB -1.230 30.486 31.823 -0.178 0.000 0.658 276 V HN 0.782 nan 8.190 nan 0.000 0.452 277 E N 0.430 120.643 120.200 0.022 0.000 2.110 277 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 277 E C 2.286 178.940 176.600 0.090 0.000 0.988 277 E CA 1.517 57.947 56.400 0.051 0.000 0.804 277 E CB -1.194 28.555 29.700 0.081 0.000 0.745 277 E HN 0.667 nan 8.360 nan 0.000 0.458 278 G N 0.059 108.951 108.800 0.152 0.000 2.421 278 G HA2 0.125 4.085 3.960 -0.000 0.000 0.217 278 G HA3 0.125 4.085 3.960 -0.000 0.000 0.217 278 G C 1.988 176.942 174.900 0.090 0.000 1.143 278 G CA 1.489 46.758 45.100 0.282 0.000 0.784 278 G HN 0.823 nan 8.290 nan 0.000 0.541 279 A N 1.326 124.055 122.820 -0.152 0.000 1.877 279 A HA 0.024 4.344 4.320 -0.000 0.000 0.216 279 A C 2.291 179.855 177.584 -0.033 0.000 1.186 279 A CA 1.369 53.198 52.037 -0.347 0.000 0.620 279 A CB -0.312 18.547 19.000 -0.234 0.000 0.822 279 A HN 0.251 nan 8.150 nan 0.000 0.443 280 I N 0.059 120.647 120.570 0.031 0.000 2.361 280 I HA -0.223 3.947 4.170 -0.000 0.000 0.251 280 I C 2.800 178.987 176.117 0.117 0.000 1.133 280 I CA 1.432 62.814 61.300 0.136 0.000 1.413 280 I CB -1.661 36.361 38.000 0.036 0.000 1.073 280 I HN 0.369 nan 8.210 nan 0.000 0.424 281 A N 0.856 123.710 122.820 0.055 0.000 1.898 281 A HA -0.122 4.198 4.320 -0.000 0.000 0.214 281 A C 2.479 180.064 177.584 0.003 0.000 1.183 281 A CA 1.783 53.848 52.037 0.047 0.000 0.622 281 A CB -0.588 18.447 19.000 0.058 0.000 0.824 281 A HN 0.524 nan 8.150 nan 0.000 0.444 282 S N -1.013 114.634 115.700 -0.088 0.000 2.478 282 S HA 0.027 4.497 4.470 -0.000 0.000 0.222 282 S C 1.673 176.170 174.600 -0.172 0.000 1.008 282 S CA 1.254 59.323 58.200 -0.218 0.000 0.928 282 S CB 0.058 62.910 63.200 -0.581 0.000 0.781 282 S HN 0.428 nan 8.310 nan 0.000 0.518 283 K N 0.122 120.437 120.400 -0.143 0.000 2.287 283 K HA 0.321 4.641 4.320 -0.000 0.000 0.199 283 K C 0.888 177.301 176.600 -0.310 0.000 1.061 283 K CA 0.601 56.742 56.287 -0.244 0.000 0.976 283 K CB -0.206 32.161 32.500 -0.222 0.000 0.898 283 K HN 0.408 nan 8.250 nan 0.000 0.492 284 Y N 0.658 120.967 120.300 0.015 0.000 2.442 284 Y HA 0.288 4.838 4.550 -0.000 0.000 0.250 284 Y C 0.159 176.077 175.900 0.029 0.000 1.113 284 Y CA -0.447 57.668 58.100 0.025 0.000 1.273 284 Y CB 0.293 38.761 38.460 0.014 0.000 1.138 284 Y HN -0.063 nan 8.280 nan 0.000 0.522 285 R N 0.929 121.515 120.500 0.143 0.000 2.594 285 R HA 0.069 4.409 4.340 -0.000 0.000 0.272 285 R C 0.463 176.818 176.300 0.091 0.000 1.074 285 R CA 0.184 56.349 56.100 0.109 0.000 1.105 285 R CB 0.081 30.439 30.300 0.096 0.000 1.008 285 R HN 0.154 nan 8.270 nan 0.000 0.472 286 N N 1.370 120.104 118.700 0.058 0.000 2.708 286 N HA -0.291 4.449 4.740 -0.000 0.000 0.249 286 N C -0.741 174.816 175.510 0.078 0.000 1.097 286 N CA 1.411 54.474 53.050 0.022 0.000 0.710 286 N CB -1.161 37.293 38.487 -0.054 0.000 1.032 286 N HN 0.952 nan 8.380 nan 0.000 0.551 287 N N -1.386 117.375 118.700 0.102 0.000 2.708 287 N HA -0.192 4.548 4.740 -0.000 0.000 0.251 287 N C 0.692 176.257 175.510 0.091 0.000 1.123 287 N CA 2.416 55.542 53.050 0.126 0.000 0.739 287 N CB -1.438 37.113 38.487 0.107 0.000 1.113 287 N HN 1.293 nan 8.380 nan 0.000 0.561 288 G N -1.149 107.680 108.800 0.049 0.000 2.136 288 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.242 288 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.242 288 G C 0.092 175.014 174.900 0.035 0.000 0.989 288 G CA 0.463 45.546 45.100 -0.029 0.000 0.682 288 G HN 0.587 nan 8.290 nan 0.000 0.522 289 Q N 0.719 120.615 119.800 0.160 0.000 2.268 289 Q HA 0.302 4.642 4.340 -0.000 0.000 0.289 289 Q C 0.655 176.839 176.000 0.307 0.000 0.893 289 Q CA 0.540 56.563 55.803 0.367 0.000 1.057 289 Q CB 0.621 29.640 28.738 0.468 0.000 1.173 289 Q HN 0.641 nan 8.270 nan 0.000 0.449 290 T N -4.304 110.364 114.554 0.191 0.000 2.888 290 T HA 0.204 4.554 4.350 -0.000 0.000 0.284 290 T C 1.303 176.063 174.700 0.101 0.000 1.017 290 T CA -0.818 61.445 62.100 0.271 0.000 1.022 290 T CB 1.449 70.520 68.868 0.338 0.000 1.013 290 T HN 0.282 nan 8.240 nan 0.000 0.465 291 C N 1.942 121.336 119.300 0.158 0.000 2.391 291 C HA -0.087 4.373 4.460 -0.000 0.000 0.276 291 C C 2.628 177.622 174.990 0.006 0.000 1.217 291 C CA 0.907 59.978 59.018 0.089 0.000 1.766 291 C CB -1.709 26.113 27.740 0.138 0.000 2.046 291 C HN 0.899 nan 8.230 nan 0.000 0.475 292 V N -2.193 117.770 119.914 0.080 0.000 3.577 292 V HA 0.250 4.370 4.120 -0.000 0.000 0.294 292 V C 0.732 176.900 176.094 0.124 0.000 1.317 292 V CA -0.496 61.856 62.300 0.087 0.000 1.169 292 V CB -1.877 30.045 31.823 0.165 0.000 1.011 292 V HN 0.588 nan 8.190 nan 0.000 0.426 293 C N 2.266 121.569 119.300 0.006 0.000 2.648 293 C HA 0.274 4.734 4.460 -0.000 0.000 0.419 293 C C 1.472 176.418 174.990 -0.073 0.000 1.352 293 C CA 0.429 59.418 59.018 -0.048 0.000 1.816 293 C CB -0.416 27.238 27.740 -0.144 0.000 2.598 293 C HN 0.660 nan 8.230 nan 0.000 0.598 294 T N 4.679 119.181 114.554 -0.088 0.000 2.822 294 T HA -0.066 4.284 4.350 -0.000 0.000 0.288 294 T C 1.024 175.569 174.700 -0.258 0.000 0.991 294 T CA 0.848 62.827 62.100 -0.200 0.000 1.176 294 T CB 0.040 68.580 68.868 -0.547 0.000 0.951 294 T HN 0.820 nan 8.240 nan 0.000 0.526 295 N N 2.752 121.339 118.700 -0.188 0.000 2.463 295 N HA 0.097 4.836 4.740 -0.000 0.000 0.183 295 N C -0.038 175.435 175.510 -0.060 0.000 1.064 295 N CA 0.324 53.302 53.050 -0.119 0.000 0.879 295 N CB 0.604 39.044 38.487 -0.078 0.000 1.148 295 N HN 0.459 nan 8.380 nan 0.000 0.451 296 R N -0.224 120.199 120.500 -0.130 0.000 2.513 296 R HA 0.320 4.660 4.340 -0.000 0.000 0.301 296 R C -1.397 174.754 176.300 -0.249 0.000 0.968 296 R CA -0.630 55.367 56.100 -0.172 0.000 0.872 296 R CB 1.376 31.384 30.300 -0.485 0.000 1.177 296 R HN -0.037 nan 8.270 nan 0.000 0.444 297 F N 2.589 122.519 119.950 -0.034 0.000 2.410 297 F HA 0.381 4.908 4.527 -0.000 0.000 0.349 297 F C -0.187 175.543 175.800 -0.117 0.000 1.117 297 F CA -0.304 57.718 58.000 0.037 0.000 1.104 297 F CB 0.799 39.848 39.000 0.081 0.000 1.122 297 F HN 0.347 nan 8.300 nan 0.000 0.483 298 F N 3.460 123.610 119.950 0.333 0.000 2.382 298 F HA 0.529 5.056 4.527 -0.000 0.000 0.361 298 F C -0.569 175.486 175.800 0.426 0.000 1.109 298 F CA -0.963 57.235 58.000 0.330 0.000 1.031 298 F CB 1.219 40.237 39.000 0.031 0.000 1.234 298 F HN -0.006 nan 8.300 nan 0.000 0.445 299 V N 2.857 123.089 119.914 0.530 0.000 2.513 299 V HA 0.253 4.373 4.120 -0.000 0.000 0.299 299 V C 0.227 176.315 176.094 -0.010 0.000 1.035 299 V CA -1.002 61.440 62.300 0.237 0.000 0.889 299 V CB 1.383 33.183 31.823 -0.037 0.000 0.988 299 V HN 0.599 nan 8.190 nan 0.000 0.440 300 H N 3.317 122.057 119.070 -0.550 0.000 3.001 300 H HA 0.037 4.593 4.556 -0.000 0.000 0.334 300 H C 1.274 176.384 175.328 -0.364 0.000 1.034 300 H CA 0.744 56.165 56.048 -1.044 0.000 1.420 300 H CB 0.920 30.275 29.762 -0.679 0.000 1.405 300 H HN 0.824 nan 8.280 nan 0.000 0.593 301 E N 4.029 123.915 120.200 -0.523 0.000 2.136 301 E HA -0.275 4.075 4.350 -0.000 0.000 0.202 301 E C 1.855 178.489 176.600 0.056 0.000 1.019 301 E CA 1.309 57.600 56.400 -0.181 0.000 0.819 301 E CB 0.079 29.626 29.700 -0.256 0.000 0.739 301 E HN 0.634 nan 8.360 nan 0.000 0.458 302 R N 0.186 120.832 120.500 0.242 0.000 2.236 302 R HA -0.053 4.287 4.340 -0.000 0.000 0.208 302 R C 1.988 178.371 176.300 0.138 0.000 1.036 302 R CA 1.142 57.357 56.100 0.191 0.000 1.001 302 R CB 0.257 30.669 30.300 0.186 0.000 0.896 302 R HN 0.176 nan 8.270 nan 0.000 0.464 303 V N -4.393 115.613 119.914 0.153 0.000 3.330 303 V HA 0.113 4.233 4.120 -0.000 0.000 0.309 303 V C 1.347 177.549 176.094 0.179 0.000 1.481 303 V CA -0.529 61.856 62.300 0.141 0.000 1.068 303 V CB -0.655 31.241 31.823 0.121 0.000 0.935 303 V HN 0.050 nan 8.190 nan 0.000 0.453 304 Y N 2.493 122.830 120.300 0.062 0.000 2.053 304 Y HA -0.255 4.295 4.550 -0.000 0.000 0.277 304 Y C 2.214 178.177 175.900 0.104 0.000 1.159 304 Y CA 2.698 60.844 58.100 0.077 0.000 1.125 304 Y CB -0.044 38.431 38.460 0.025 0.000 0.969 304 Y HN 0.316 nan 8.280 nan 0.000 0.492 305 D N -0.302 120.272 120.400 0.290 0.000 2.178 305 D HA -0.148 4.492 4.640 -0.000 0.000 0.201 305 D C 2.125 178.467 176.300 0.070 0.000 0.980 305 D CA 1.299 55.405 54.000 0.177 0.000 0.842 305 D CB -0.475 40.413 40.800 0.147 0.000 0.948 305 D HN 0.503 nan 8.370 nan 0.000 0.472 306 A N 0.004 122.874 122.820 0.083 0.000 1.898 306 A HA -0.074 4.246 4.320 -0.000 0.000 0.214 306 A C 2.047 179.647 177.584 0.026 0.000 1.183 306 A CA 0.584 52.651 52.037 0.051 0.000 0.622 306 A CB -0.864 18.180 19.000 0.074 0.000 0.824 306 A HN 0.237 nan 8.150 nan 0.000 0.444 307 F N 1.197 121.096 119.950 -0.085 0.000 2.134 307 F HA -0.047 4.480 4.527 -0.000 0.000 0.299 307 F C 2.494 178.171 175.800 -0.205 0.000 1.097 307 F CA 1.147 59.068 58.000 -0.132 0.000 1.264 307 F CB -0.405 38.517 39.000 -0.131 0.000 1.001 307 F HN 0.250 nan 8.300 nan 0.000 0.479 308 A N 0.253 122.957 122.820 -0.194 0.000 1.892 308 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 308 A C 1.988 179.409 177.584 -0.272 0.000 1.188 308 A CA 2.242 54.106 52.037 -0.288 0.000 0.631 308 A CB -1.195 17.672 19.000 -0.221 0.000 0.822 308 A HN 0.458 nan 8.150 nan 0.000 0.447 309 D N -0.367 119.926 120.400 -0.179 0.000 2.104 309 D HA -0.125 4.515 4.640 -0.000 0.000 0.194 309 D C 2.008 178.188 176.300 -0.199 0.000 0.994 309 D CA 1.557 55.470 54.000 -0.145 0.000 0.830 309 D CB -0.265 40.485 40.800 -0.083 0.000 0.959 309 D HN 0.523 nan 8.370 nan 0.000 0.452 310 K N -0.119 120.132 120.400 -0.248 0.000 2.097 310 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 310 K C 2.039 178.420 176.600 -0.365 0.000 1.050 310 K CA 0.300 56.427 56.287 -0.265 0.000 0.938 310 K CB -0.151 32.203 32.500 -0.242 0.000 0.718 310 K HN 0.053 nan 8.250 nan 0.000 0.442 311 L N 1.317 122.199 121.223 -0.567 0.000 2.017 311 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 311 L C 2.264 178.920 176.870 -0.356 0.000 1.073 311 L CA 1.827 56.315 54.840 -0.585 0.000 0.745 311 L CB -0.727 40.820 42.059 -0.854 0.000 0.894 311 L HN 0.120 nan 8.230 nan 0.000 0.432 312 A N -0.514 122.132 122.820 -0.289 0.000 1.908 312 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 312 A C 2.452 179.932 177.584 -0.175 0.000 1.181 312 A CA 1.962 53.880 52.037 -0.198 0.000 0.627 312 A CB -1.234 17.677 19.000 -0.149 0.000 0.818 312 A HN 0.587 nan 8.150 nan 0.000 0.445 313 A N -0.233 122.486 122.820 -0.168 0.000 1.908 313 A HA 0.130 4.450 4.320 -0.000 0.000 0.218 313 A C 2.485 179.983 177.584 -0.144 0.000 1.181 313 A CA 2.199 54.155 52.037 -0.136 0.000 0.627 313 A CB -0.948 17.980 19.000 -0.119 0.000 0.818 313 A HN 1.079 nan 8.150 nan 0.000 0.445 314 A N -0.799 121.914 122.820 -0.178 0.000 1.929 314 A HA 0.092 4.412 4.320 -0.000 0.000 0.216 314 A C 2.182 179.641 177.584 -0.208 0.000 1.176 314 A CA 1.486 53.419 52.037 -0.173 0.000 0.628 314 A CB -0.773 18.116 19.000 -0.184 0.000 0.816 314 A HN 0.355 nan 8.150 nan 0.000 0.444 315 V N 1.054 120.812 119.914 -0.260 0.000 2.407 315 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 315 V C 2.977 178.929 176.094 -0.237 0.000 1.055 315 V CA 2.368 64.463 62.300 -0.341 0.000 1.049 315 V CB -0.763 30.855 31.823 -0.342 0.000 0.662 315 V HN 0.822 nan 8.190 nan 0.000 0.455 316 S N 0.545 116.146 115.700 -0.165 0.000 2.453 316 S HA -0.109 4.361 4.470 -0.000 0.000 0.231 316 S C 1.979 176.521 174.600 -0.097 0.000 1.005 316 S CA 1.286 59.418 58.200 -0.113 0.000 0.949 316 S CB -0.386 62.760 63.200 -0.090 0.000 0.774 316 S HN 0.619 nan 8.310 nan 0.000 0.510 317 K N 1.032 121.369 120.400 -0.106 0.000 2.486 317 K HA 0.456 4.776 4.320 -0.000 0.000 0.194 317 K C 0.819 177.370 176.600 -0.083 0.000 1.033 317 K CA 0.486 56.724 56.287 -0.083 0.000 1.004 317 K CB -0.893 31.561 32.500 -0.076 0.000 0.798 317 K HN 0.611 nan 8.250 nan 0.000 0.495 318 L N 0.653 121.808 121.223 -0.112 0.000 2.452 318 L HA 0.273 4.613 4.340 -0.000 0.000 0.267 318 L C 0.439 177.266 176.870 -0.072 0.000 1.188 318 L CA -0.359 54.419 54.840 -0.103 0.000 0.821 318 L CB 1.212 43.172 42.059 -0.165 0.000 1.102 318 L HN 0.229 nan 8.230 nan 0.000 0.470 319 K N 1.419 121.789 120.400 -0.051 0.000 2.463 319 K HA 0.459 4.779 4.320 -0.000 0.000 0.255 319 K C -1.356 175.216 176.600 -0.046 0.000 0.942 319 K CA -0.629 55.631 56.287 -0.045 0.000 0.814 319 K CB 1.855 34.334 32.500 -0.034 0.000 1.122 319 K HN 0.302 nan 8.250 nan 0.000 0.425 320 V N 2.862 122.718 119.914 -0.097 0.000 2.583 320 V HA 0.705 4.825 4.120 -0.000 0.000 0.287 320 V C 0.696 176.684 176.094 -0.177 0.000 1.051 320 V CA 0.125 62.339 62.300 -0.142 0.000 1.010 320 V CB 0.997 32.567 31.823 -0.422 0.000 0.988 320 V HN 1.022 nan 8.190 nan 0.000 0.478 321 G N 2.331 111.109 108.800 -0.037 0.000 2.328 321 G HA2 0.574 4.534 3.960 -0.000 0.000 0.295 321 G HA3 0.574 4.534 3.960 -0.000 0.000 0.295 321 G C -0.623 174.408 174.900 0.219 0.000 1.413 321 G CA -0.455 44.593 45.100 -0.086 0.000 0.817 321 G HN 0.891 nan 8.290 nan 0.000 0.546 322 R N -0.542 120.066 120.500 0.180 0.000 2.585 322 R HA 0.516 4.856 4.340 -0.000 0.000 0.275 322 R C 1.778 178.156 176.300 0.131 0.000 1.018 322 R CA 1.257 57.500 56.100 0.239 0.000 1.072 322 R CB -0.295 30.094 30.300 0.148 0.000 0.953 322 R HN 2.301 nan 8.270 nan 0.000 0.419 323 G N 0.206 109.071 108.800 0.107 0.000 2.479 323 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.220 323 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.220 323 G C 1.508 176.433 174.900 0.043 0.000 1.115 323 G CA 1.598 46.735 45.100 0.063 0.000 0.757 323 G HN 0.988 nan 8.290 nan 0.000 0.560 324 T N -1.990 112.588 114.554 0.040 0.000 3.113 324 T HA 0.195 4.545 4.350 -0.000 0.000 0.256 324 T C 0.757 175.469 174.700 0.021 0.000 1.131 324 T CA 0.075 62.190 62.100 0.026 0.000 1.074 324 T CB 0.280 69.160 68.868 0.020 0.000 0.944 324 T HN 0.372 nan 8.240 nan 0.000 0.516 325 E N 1.694 121.910 120.200 0.026 0.000 2.283 325 E HA 0.323 4.673 4.350 -0.000 0.000 0.278 325 E C -0.656 175.951 176.600 0.012 0.000 1.027 325 E CA -0.395 56.014 56.400 0.015 0.000 0.843 325 E CB 0.781 30.488 29.700 0.012 0.000 1.062 325 E HN 0.162 nan 8.360 nan 0.000 0.401 326 S N 2.069 117.773 115.700 0.006 0.000 2.546 326 S HA 0.236 4.706 4.470 -0.000 0.000 0.290 326 S C 0.970 175.570 174.600 0.001 0.000 1.290 326 S CA 0.804 59.006 58.200 0.004 0.000 1.069 326 S CB 0.716 63.917 63.200 0.001 0.000 0.846 326 S HN 0.868 nan 8.310 nan 0.000 0.495 327 G N 2.376 111.178 108.800 0.002 0.000 2.253 327 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.251 327 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.251 327 G C 0.269 175.168 174.900 -0.001 0.000 0.998 327 G CA -0.048 45.051 45.100 -0.002 0.000 0.621 327 G HN 1.291 nan 8.290 nan 0.000 0.524 328 A N 1.032 123.855 122.820 0.006 0.000 2.515 328 A HA 0.577 4.897 4.320 -0.000 0.000 0.263 328 A C 1.449 179.047 177.584 0.022 0.000 1.096 328 A CA 1.736 53.781 52.037 0.013 0.000 0.769 328 A CB 0.023 19.041 19.000 0.030 0.000 1.040 328 A HN 1.463 nan 8.150 nan 0.000 0.505 329 T N 0.349 114.913 114.554 0.017 0.000 3.044 329 T HA 0.435 4.785 4.350 -0.000 0.000 0.260 329 T C 0.107 174.832 174.700 0.041 0.000 1.019 329 T CA 0.103 62.217 62.100 0.023 0.000 0.921 329 T CB -0.374 68.497 68.868 0.006 0.000 1.053 329 T HN 0.358 nan 8.240 nan 0.000 0.533 330 L N 1.640 122.896 121.223 0.054 0.000 2.404 330 L HA 0.724 5.064 4.340 -0.000 0.000 0.272 330 L C 0.673 177.622 176.870 0.131 0.000 0.980 330 L CA -1.133 53.760 54.840 0.088 0.000 0.836 330 L CB 1.972 44.085 42.059 0.091 0.000 1.238 330 L HN 0.246 nan 8.230 nan 0.000 0.408 331 G N 2.854 111.714 108.800 0.099 0.000 2.535 331 G HA2 0.598 4.558 3.960 -0.000 0.000 0.282 331 G HA3 0.598 4.558 3.960 -0.000 0.000 0.282 331 G C -2.667 172.184 174.900 -0.081 0.000 1.350 331 G CA -0.977 44.164 45.100 0.070 0.000 1.039 331 G HN 0.316 nan 8.290 nan 0.000 0.509 332 P HA 0.293 nan 4.420 nan 0.000 0.278 332 P C -0.497 176.648 177.300 -0.259 0.000 1.258 332 P CA -0.703 61.995 63.100 -0.670 0.000 0.811 332 P CB 1.102 32.073 31.700 -1.216 0.000 1.063 333 L N 1.567 122.697 121.223 -0.155 0.000 2.467 333 L HA 0.102 4.442 4.340 -0.000 0.000 0.270 333 L C 2.127 178.877 176.870 -0.200 0.000 1.205 333 L CA 0.142 54.919 54.840 -0.105 0.000 0.828 333 L CB -0.847 41.184 42.059 -0.046 0.000 1.101 333 L HN 0.432 nan 8.230 nan 0.000 0.479 334 I N 1.253 121.644 120.570 -0.299 0.000 2.394 334 I HA -0.195 3.975 4.170 -0.000 0.000 0.251 334 I C 0.345 176.256 176.117 -0.344 0.000 1.136 334 I CA 0.774 61.819 61.300 -0.426 0.000 1.425 334 I CB 0.067 37.522 38.000 -0.908 0.000 1.079 334 I HN 0.958 nan 8.210 nan 0.000 0.425 335 N N -1.990 116.534 118.700 -0.295 0.000 3.039 335 N HA 0.056 4.796 4.740 -0.000 0.000 0.257 335 N C 0.093 175.533 175.510 -0.115 0.000 1.497 335 N CA -0.639 52.295 53.050 -0.193 0.000 0.861 335 N CB 0.380 38.734 38.487 -0.222 0.000 1.479 335 N HN -0.237 nan 8.380 nan 0.000 0.547 336 E N -0.389 119.766 120.200 -0.075 0.000 2.208 336 E HA 0.006 4.356 4.350 -0.000 0.000 0.193 336 E C 1.495 178.078 176.600 -0.028 0.000 0.988 336 E CA 0.981 57.363 56.400 -0.030 0.000 0.828 336 E CB -0.217 29.469 29.700 -0.023 0.000 0.763 336 E HN 0.656 nan 8.360 nan 0.000 0.478 337 A N 0.976 123.763 122.820 -0.054 0.000 1.972 337 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 337 A C 2.302 179.858 177.584 -0.046 0.000 1.169 337 A CA 1.750 53.761 52.037 -0.045 0.000 0.635 337 A CB -0.328 18.638 19.000 -0.056 0.000 0.810 337 A HN 0.286 nan 8.150 nan 0.000 0.446 338 A N -0.762 122.016 122.820 -0.070 0.000 1.930 338 A HA 0.149 4.469 4.320 -0.000 0.000 0.215 338 A C 2.149 179.691 177.584 -0.069 0.000 1.176 338 A CA 1.296 53.292 52.037 -0.069 0.000 0.632 338 A CB -0.697 18.246 19.000 -0.095 0.000 0.819 338 A HN 0.324 nan 8.150 nan 0.000 0.445 339 V N 0.594 120.498 119.914 -0.017 0.000 2.332 339 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 339 V C 3.193 179.323 176.094 0.061 0.000 1.055 339 V CA 2.699 65.042 62.300 0.071 0.000 1.038 339 V CB -1.238 30.701 31.823 0.193 0.000 0.651 339 V HN 0.725 nan 8.190 nan 0.000 0.450 340 K N 0.528 120.952 120.400 0.040 0.000 2.057 340 K HA -0.242 4.078 4.320 -0.000 0.000 0.207 340 K C 2.152 178.756 176.600 0.006 0.000 1.049 340 K CA 2.161 58.473 56.287 0.042 0.000 0.931 340 K CB -0.649 31.868 32.500 0.028 0.000 0.714 340 K HN 0.582 nan 8.250 nan 0.000 0.440 341 K N 0.194 120.564 120.400 -0.050 0.000 2.057 341 K HA -0.075 4.245 4.320 -0.000 0.000 0.207 341 K C 2.091 178.567 176.600 -0.207 0.000 1.049 341 K CA 1.414 57.631 56.287 -0.117 0.000 0.931 341 K CB -0.320 32.096 32.500 -0.139 0.000 0.714 341 K HN 0.145 nan 8.250 nan 0.000 0.440 342 V N 1.642 121.410 119.914 -0.242 0.000 2.287 342 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 342 V C 2.092 178.120 176.094 -0.110 0.000 1.053 342 V CA 2.177 64.282 62.300 -0.324 0.000 1.027 342 V CB -0.558 30.796 31.823 -0.782 0.000 0.646 342 V HN 0.409 nan 8.190 nan 0.000 0.447 343 E N 0.046 120.259 120.200 0.022 0.000 2.085 343 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 343 E C 2.436 179.121 176.600 0.141 0.000 0.994 343 E CA 1.586 58.102 56.400 0.194 0.000 0.801 343 E CB -0.259 29.578 29.700 0.229 0.000 0.743 343 E HN 0.566 nan 8.360 nan 0.000 0.453 344 S N -0.013 115.754 115.700 0.111 0.000 2.343 344 S HA -0.228 4.242 4.470 -0.000 0.000 0.219 344 S C 1.849 176.570 174.600 0.202 0.000 1.033 344 S CA 1.287 59.571 58.200 0.139 0.000 1.014 344 S CB -0.351 62.930 63.200 0.136 0.000 0.915 344 S HN 0.405 nan 8.310 nan 0.000 0.435 345 H N 0.196 119.292 119.070 0.042 0.000 2.353 345 H HA -0.072 4.484 4.556 -0.000 0.000 0.298 345 H C 2.200 177.555 175.328 0.044 0.000 1.103 345 H CA 1.747 57.820 56.048 0.042 0.000 1.293 345 H CB -0.166 29.615 29.762 0.031 0.000 1.372 345 H HN 0.404 nan 8.280 nan 0.000 0.501 346 I N 0.514 121.195 120.570 0.186 0.000 2.163 346 I HA -0.251 3.919 4.170 -0.000 0.000 0.240 346 I C 2.924 179.101 176.117 0.100 0.000 1.081 346 I CA 0.857 62.238 61.300 0.135 0.000 1.353 346 I CB -0.348 37.753 38.000 0.167 0.000 1.054 346 I HN 0.231 nan 8.210 nan 0.000 0.407 347 A N 0.666 123.549 122.820 0.106 0.000 1.892 347 A HA -0.363 3.957 4.320 -0.000 0.000 0.218 347 A C 1.975 179.593 177.584 0.056 0.000 1.188 347 A CA 2.631 54.715 52.037 0.078 0.000 0.631 347 A CB -0.983 18.066 19.000 0.080 0.000 0.822 347 A HN 0.559 nan 8.150 nan 0.000 0.447 348 D N -0.557 119.878 120.400 0.058 0.000 2.117 348 D HA -0.025 4.615 4.640 -0.000 0.000 0.197 348 D C 1.952 178.257 176.300 0.009 0.000 0.987 348 D CA 1.750 55.768 54.000 0.030 0.000 0.829 348 D CB -0.201 40.611 40.800 0.020 0.000 0.961 348 D HN 0.361 nan 8.370 nan 0.000 0.460 349 A N 0.247 123.071 122.820 0.007 0.000 1.898 349 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 349 A C 2.213 179.791 177.584 -0.010 0.000 1.181 349 A CA 0.865 52.891 52.037 -0.017 0.000 0.620 349 A CB -0.692 18.296 19.000 -0.020 0.000 0.819 349 A HN 0.332 nan 8.150 nan 0.000 0.442 350 L N -0.435 120.795 121.223 0.011 0.000 2.017 350 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 350 L C 2.996 179.870 176.870 0.007 0.000 1.073 350 L CA 2.105 56.952 54.840 0.011 0.000 0.745 350 L CB -1.694 40.380 42.059 0.024 0.000 0.894 350 L HN 0.462 nan 8.230 nan 0.000 0.432 351 A N -0.696 122.131 122.820 0.011 0.000 2.076 351 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 351 A C 2.042 179.627 177.584 0.003 0.000 1.160 351 A CA 1.411 53.453 52.037 0.010 0.000 0.653 351 A CB -0.300 18.709 19.000 0.016 0.000 0.801 351 A HN 0.420 nan 8.150 nan 0.000 0.455 352 K N -2.088 118.309 120.400 -0.005 0.000 2.414 352 K HA 0.331 4.651 4.320 -0.000 0.000 0.204 352 K C 0.824 177.412 176.600 -0.020 0.000 1.026 352 K CA 0.428 56.709 56.287 -0.011 0.000 1.108 352 K CB 0.502 32.993 32.500 -0.015 0.000 0.855 352 K HN 0.538 nan 8.250 nan 0.000 0.517 353 G N 0.915 109.705 108.800 -0.018 0.000 2.211 353 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.201 353 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.201 353 G C 0.145 175.029 174.900 -0.027 0.000 0.997 353 G CA -0.192 44.895 45.100 -0.021 0.000 0.652 353 G HN 0.362 nan 8.290 nan 0.000 0.500 354 A N 0.737 123.537 122.820 -0.032 0.000 2.450 354 A HA 0.729 5.048 4.320 -0.000 0.000 0.255 354 A C 0.818 178.396 177.584 -0.009 0.000 1.096 354 A CA 0.961 52.978 52.037 -0.033 0.000 0.778 354 A CB 0.446 19.415 19.000 -0.051 0.000 1.031 354 A HN 0.954 nan 8.150 nan 0.000 0.494 355 S N 0.396 116.096 115.700 -0.000 0.000 2.652 355 S HA 0.503 4.973 4.470 -0.000 0.000 0.270 355 S C -0.337 174.275 174.600 0.018 0.000 1.243 355 S CA -0.378 57.828 58.200 0.011 0.000 0.999 355 S CB 1.028 64.237 63.200 0.015 0.000 0.973 355 S HN 0.756 nan 8.310 nan 0.000 0.544 356 L N 2.130 123.365 121.223 0.020 0.000 2.305 356 L HA 0.495 4.835 4.340 -0.000 0.000 0.284 356 L C 0.409 177.290 176.870 0.019 0.000 1.013 356 L CA -0.016 54.840 54.840 0.027 0.000 0.819 356 L CB 1.074 43.152 42.059 0.033 0.000 1.227 356 L HN 0.830 nan 8.230 nan 0.000 0.417 357 M N 2.117 121.727 119.600 0.016 0.000 2.299 357 M HA 0.153 4.633 4.480 -0.000 0.000 0.264 357 M C 0.164 176.461 176.300 -0.006 0.000 1.095 357 M CA 0.881 56.181 55.300 -0.000 0.000 1.165 357 M CB 0.476 33.067 32.600 -0.016 0.000 1.349 357 M HN 0.718 nan 8.290 nan 0.000 0.446 358 T N -0.899 113.658 114.554 0.005 0.000 2.889 358 T HA 0.555 4.905 4.350 -0.000 0.000 0.315 358 T C -0.234 174.489 174.700 0.039 0.000 1.291 358 T CA 0.131 62.234 62.100 0.005 0.000 1.028 358 T CB 1.313 70.168 68.868 -0.023 0.000 1.235 358 T HN 0.736 nan 8.240 nan 0.000 0.491 359 G N 1.709 110.532 108.800 0.039 0.000 2.569 359 G HA2 0.261 4.221 3.960 -0.000 0.000 0.259 359 G HA3 0.261 4.221 3.960 -0.000 0.000 0.259 359 G C 0.866 175.812 174.900 0.075 0.000 1.263 359 G CA 1.067 46.209 45.100 0.071 0.000 0.928 359 G HN 2.361 nan 8.290 nan 0.000 0.572 360 G N -3.807 105.073 108.800 0.132 0.000 2.296 360 G HA2 0.542 4.502 3.960 -0.000 0.000 0.188 360 G HA3 0.542 4.502 3.960 -0.000 0.000 0.188 360 G C 0.531 175.493 174.900 0.103 0.000 1.000 360 G CA 1.457 46.645 45.100 0.147 0.000 0.672 360 G HN 2.435 nan 8.290 nan 0.000 0.483 361 K N 0.348 120.696 120.400 -0.086 0.000 2.400 361 K HA 0.898 5.218 4.320 -0.000 0.000 0.246 361 K C 0.278 176.362 176.600 -0.860 0.000 0.995 361 K CA -0.105 56.006 56.287 -0.293 0.000 0.840 361 K CB 0.937 33.333 32.500 -0.174 0.000 1.293 361 K HN 0.604 nan 8.250 nan 0.000 0.445 362 R N 1.447 121.400 120.500 -0.911 0.000 2.640 362 R HA -0.008 4.332 4.340 -0.000 0.000 0.270 362 R C -0.117 175.963 176.300 -0.367 0.000 1.024 362 R CA 0.003 55.607 56.100 -0.826 0.000 1.085 362 R CB 0.056 30.173 30.300 -0.305 0.000 0.963 362 R HN 0.878 nan 8.270 nan 0.000 0.426 363 H N 1.818 120.736 119.070 -0.252 0.000 2.607 363 H HA 0.055 4.611 4.556 -0.000 0.000 0.367 363 H C 0.624 175.908 175.328 -0.074 0.000 1.181 363 H CA 0.642 56.628 56.048 -0.103 0.000 1.402 363 H CB 1.537 31.311 29.762 0.019 0.000 1.474 363 H HN 0.769 nan 8.280 nan 0.000 0.596 364 A N 4.063 126.561 122.820 -0.538 0.000 1.972 364 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 364 A C 2.817 180.360 177.584 -0.069 0.000 1.169 364 A CA 1.751 53.613 52.037 -0.292 0.000 0.635 364 A CB -1.218 17.552 19.000 -0.383 0.000 0.810 364 A HN 0.660 nan 8.150 nan 0.000 0.446 365 L N -1.620 119.665 121.223 0.102 0.000 2.450 365 L HA 0.369 4.709 4.340 -0.000 0.000 0.224 365 L C 1.847 178.797 176.870 0.133 0.000 1.149 365 L CA 1.655 56.500 54.840 0.009 0.000 0.816 365 L CB -2.222 39.592 42.059 -0.407 0.000 0.932 365 L HN 1.784 nan 8.230 nan 0.000 0.449 366 G N -2.624 106.266 108.800 0.149 0.000 2.584 366 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.229 366 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.229 366 G C 0.238 175.289 174.900 0.251 0.000 1.320 366 G CA 0.453 45.591 45.100 0.064 0.000 0.891 366 G HN 1.859 nan 8.290 nan 0.000 0.573 367 H N -2.031 117.139 119.070 0.166 0.000 1.452 367 H HA -0.212 4.344 4.556 -0.000 0.000 0.090 367 H C 1.998 177.369 175.328 0.073 0.000 1.472 367 H CA 2.504 58.617 56.048 0.108 0.000 1.901 367 H CB -1.212 28.622 29.762 0.120 0.000 2.257 367 H HN 1.800 nan 8.280 nan 0.000 0.961 368 G N -0.027 108.839 108.800 0.111 0.000 3.181 368 G HA2 0.225 4.185 3.960 -0.000 0.000 0.219 368 G HA3 0.225 4.185 3.960 -0.000 0.000 0.219 368 G C -0.459 174.436 174.900 -0.007 0.000 1.182 368 G CA -0.167 44.927 45.100 -0.009 0.000 0.791 368 G HN 0.209 nan 8.290 nan 0.000 0.537 369 F N 0.338 120.390 119.950 0.171 0.000 2.467 369 F HA 0.516 5.043 4.527 -0.000 0.000 0.362 369 F C -0.083 175.847 175.800 0.216 0.000 1.090 369 F CA -0.678 57.413 58.000 0.153 0.000 1.202 369 F CB 0.728 39.792 39.000 0.107 0.000 1.113 369 F HN -0.049 nan 8.300 nan 0.000 0.541 370 F N 2.200 122.304 119.950 0.255 0.000 2.540 370 F HA 0.326 4.853 4.527 -0.000 0.000 0.317 370 F C 0.009 175.934 175.800 0.209 0.000 1.104 370 F CA -0.969 57.156 58.000 0.208 0.000 0.913 370 F CB 1.266 40.348 39.000 0.136 0.000 1.170 370 F HN 0.421 nan 8.300 nan 0.000 0.450 371 E N 5.714 126.021 120.200 0.179 0.000 2.417 371 E HA 0.083 4.433 4.350 -0.000 0.000 0.261 371 E C -2.291 174.513 176.600 0.341 0.000 1.000 371 E CA -1.461 55.079 56.400 0.233 0.000 0.919 371 E CB 0.184 29.938 29.700 0.090 0.000 0.955 371 E HN 0.181 nan 8.360 nan 0.000 0.455 372 P HA -0.008 nan 4.420 nan 0.000 0.267 372 P C -1.020 176.414 177.300 0.224 0.000 1.205 372 P CA 0.266 63.510 63.100 0.241 0.000 0.765 372 P CB 0.722 32.402 31.700 -0.033 0.000 0.828 373 T N 2.229 116.979 114.554 0.327 0.000 2.886 373 T HA 0.489 4.839 4.350 -0.000 0.000 0.292 373 T C -0.694 174.130 174.700 0.207 0.000 1.012 373 T CA -0.462 61.780 62.100 0.236 0.000 0.982 373 T CB 1.236 70.263 68.868 0.265 0.000 1.018 373 T HN -0.012 nan 8.240 nan 0.000 0.451 374 V N 3.994 123.977 119.914 0.115 0.000 2.531 374 V HA 0.562 4.682 4.120 -0.000 0.000 0.301 374 V C -0.725 175.394 176.094 0.041 0.000 1.034 374 V CA -0.834 61.502 62.300 0.060 0.000 0.865 374 V CB 1.635 33.448 31.823 -0.016 0.000 0.995 374 V HN 0.722 nan 8.190 nan 0.000 0.424 375 L N 4.273 125.519 121.223 0.039 0.000 2.346 375 L HA 0.753 5.093 4.340 -0.000 0.000 0.276 375 L C 0.469 177.356 176.870 0.029 0.000 1.006 375 L CA -0.358 54.500 54.840 0.029 0.000 0.817 375 L CB 2.419 44.492 42.059 0.023 0.000 1.272 375 L HN 0.824 nan 8.230 nan 0.000 0.421 376 T N -1.917 112.669 114.554 0.053 0.000 2.944 376 T HA 0.604 4.954 4.350 -0.000 0.000 0.284 376 T C 0.862 175.609 174.700 0.079 0.000 1.010 376 T CA -0.011 62.176 62.100 0.145 0.000 1.025 376 T CB 1.682 70.668 68.868 0.198 0.000 1.079 376 T HN 0.974 nan 8.240 nan 0.000 0.516 377 G N 0.244 109.099 108.800 0.091 0.000 2.176 377 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.252 377 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.252 377 G C 0.026 174.852 174.900 -0.124 0.000 1.024 377 G CA -0.002 45.066 45.100 -0.053 0.000 0.755 377 G HN 1.061 nan 8.290 nan 0.000 0.507 378 V N -0.212 119.577 119.914 -0.208 0.000 2.686 378 V HA 0.710 4.830 4.120 -0.000 0.000 0.295 378 V C 0.726 176.462 176.094 -0.597 0.000 1.055 378 V CA 0.876 62.892 62.300 -0.473 0.000 1.050 378 V CB 1.115 32.503 31.823 -0.725 0.000 0.984 378 V HN 0.996 nan 8.190 nan 0.000 0.482 379 K N 4.566 124.690 120.400 -0.461 0.000 2.482 379 K HA 0.673 4.993 4.320 -0.000 0.000 0.257 379 K C -2.590 174.051 176.600 0.069 0.000 0.969 379 K CA -1.483 54.720 56.287 -0.140 0.000 0.842 379 K CB 0.921 33.392 32.500 -0.048 0.000 1.359 379 K HN 0.430 nan 8.250 nan 0.000 0.441 380 P HA -0.111 nan 4.420 nan 0.000 0.225 380 P C 0.351 177.758 177.300 0.177 0.000 1.148 380 P CA 1.278 64.573 63.100 0.326 0.000 0.779 380 P CB 0.315 32.171 31.700 0.260 0.000 0.780 381 D N -1.903 118.558 120.400 0.103 0.000 2.347 381 D HA -0.051 4.589 4.640 -0.000 0.000 0.213 381 D C 0.710 177.035 176.300 0.041 0.000 0.985 381 D CA 0.409 54.446 54.000 0.062 0.000 0.879 381 D CB -0.712 40.111 40.800 0.039 0.000 0.919 381 D HN 0.175 nan 8.370 nan 0.000 0.526 382 M N 0.916 120.536 119.600 0.033 0.000 2.241 382 M HA 0.085 4.565 4.480 -0.000 0.000 0.335 382 M C 0.939 177.227 176.300 -0.021 0.000 1.122 382 M CA -0.402 54.891 55.300 -0.011 0.000 1.164 382 M CB 0.967 33.534 32.600 -0.055 0.000 1.459 382 M HN -0.284 nan 8.290 nan 0.000 0.461 383 D N 0.932 121.273 120.400 -0.099 0.000 2.144 383 D HA -0.130 4.510 4.640 -0.000 0.000 0.199 383 D C 1.822 177.922 176.300 -0.335 0.000 0.984 383 D CA 1.196 55.086 54.000 -0.184 0.000 0.834 383 D CB 0.028 40.697 40.800 -0.219 0.000 0.955 383 D HN 0.455 nan 8.370 nan 0.000 0.465 384 V N 1.201 120.865 119.914 -0.416 0.000 2.594 384 V HA -0.214 3.905 4.120 -0.000 0.000 0.253 384 V C 2.237 178.391 176.094 0.100 0.000 1.069 384 V CA 1.884 64.048 62.300 -0.227 0.000 1.082 384 V CB -0.347 31.457 31.823 -0.032 0.000 0.680 384 V HN 0.163 nan 8.190 nan 0.000 0.469 385 A N -0.468 122.467 122.820 0.191 0.000 2.015 385 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 385 A C 2.214 179.901 177.584 0.172 0.000 1.163 385 A CA 2.023 54.237 52.037 0.296 0.000 0.646 385 A CB -0.441 18.786 19.000 0.379 0.000 0.806 385 A HN 0.643 nan 8.150 nan 0.000 0.448 386 K N -0.509 119.976 120.400 0.141 0.000 2.374 386 K HA 0.401 4.721 4.320 -0.000 0.000 0.202 386 K C 0.215 176.958 176.600 0.238 0.000 1.040 386 K CA 0.538 56.924 56.287 0.165 0.000 1.085 386 K CB 0.184 32.756 32.500 0.119 0.000 0.873 386 K HN 0.624 nan 8.250 nan 0.000 0.539 387 E N 0.131 120.458 120.200 0.213 0.000 2.366 387 E HA 0.248 4.598 4.350 -0.000 0.000 0.278 387 E C -1.473 175.281 176.600 0.257 0.000 0.923 387 E CA -0.496 56.061 56.400 0.262 0.000 0.761 387 E CB 1.784 31.664 29.700 0.299 0.000 1.231 387 E HN 0.378 nan 8.360 nan 0.000 0.443 388 E N 1.019 121.304 120.200 0.142 0.000 2.344 388 E HA 0.075 4.425 4.350 -0.000 0.000 0.270 388 E C 0.211 176.876 176.600 0.109 0.000 1.021 388 E CA 0.248 56.669 56.400 0.036 0.000 0.887 388 E CB 1.115 30.741 29.700 -0.123 0.000 0.997 388 E HN 0.469 nan 8.360 nan 0.000 0.429 389 T N 2.990 117.550 114.554 0.010 0.000 2.937 389 T HA -0.046 4.304 4.350 -0.000 0.000 0.260 389 T C 0.304 175.013 174.700 0.014 0.000 1.051 389 T CA 0.030 62.071 62.100 -0.098 0.000 1.141 389 T CB -0.162 68.690 68.868 -0.027 0.000 0.879 389 T HN 0.598 nan 8.240 nan 0.000 0.459 390 F N 1.251 121.168 119.950 -0.055 0.000 2.943 390 F HA -0.096 4.431 4.527 -0.000 0.000 0.258 390 F C 0.843 176.628 175.800 -0.027 0.000 0.995 390 F CA 0.370 58.365 58.000 -0.007 0.000 0.896 390 F CB -1.420 37.616 39.000 0.060 0.000 0.821 390 F HN 0.392 nan 8.300 nan 0.000 0.828 391 G N -0.568 108.240 108.800 0.014 0.000 2.559 391 G HA2 0.594 4.554 3.960 -0.000 0.000 0.291 391 G HA3 0.594 4.554 3.960 -0.000 0.000 0.291 391 G C -3.148 171.705 174.900 -0.078 0.000 1.424 391 G CA -0.891 44.183 45.100 -0.045 0.000 0.786 391 G HN -0.219 nan 8.290 nan 0.000 0.485 392 P HA 0.281 nan 4.420 nan 0.000 0.218 392 P C -0.681 176.652 177.300 0.055 0.000 1.793 392 P CA -0.146 62.968 63.100 0.024 0.000 0.941 392 P CB 0.172 32.061 31.700 0.315 0.000 1.919 393 L N 0.816 122.004 121.223 -0.059 0.000 2.319 393 L HA 0.702 5.042 4.340 -0.000 0.000 0.281 393 L C -0.541 176.351 176.870 0.036 0.000 1.005 393 L CA -0.927 53.934 54.840 0.034 0.000 0.828 393 L CB 1.567 43.654 42.059 0.046 0.000 1.227 393 L HN 0.042 nan 8.230 nan 0.000 0.415 394 A N 7.406 130.293 122.820 0.112 0.000 2.366 394 A HA 0.753 5.072 4.320 -0.000 0.000 0.322 394 A C -2.556 175.147 177.584 0.199 0.000 1.397 394 A CA -1.273 50.897 52.037 0.222 0.000 0.984 394 A CB -0.282 18.765 19.000 0.078 0.000 1.149 394 A HN 0.524 nan 8.150 nan 0.000 0.540 395 P HA 0.350 nan 4.420 nan 0.000 0.297 395 P C -0.771 176.676 177.300 0.244 0.000 1.342 395 P CA -0.136 63.064 63.100 0.167 0.000 0.801 395 P CB 0.987 32.776 31.700 0.148 0.000 0.920 396 L N 4.921 126.216 121.223 0.120 0.000 2.282 396 L HA 0.367 4.707 4.340 -0.000 0.000 0.287 396 L C 0.510 177.531 176.870 0.251 0.000 1.075 396 L CA -0.530 54.424 54.840 0.191 0.000 0.839 396 L CB -0.436 41.612 42.059 -0.017 0.000 1.219 396 L HN 0.241 nan 8.230 nan 0.000 0.434 397 F N 2.200 122.181 119.950 0.052 0.000 2.375 397 F HA 0.471 4.998 4.527 -0.000 0.000 0.313 397 F C 0.812 176.794 175.800 0.303 0.000 1.176 397 F CA -0.490 57.529 58.000 0.032 0.000 1.142 397 F CB 0.827 39.565 39.000 -0.438 0.000 1.275 397 F HN 0.386 nan 8.300 nan 0.000 0.544 398 R N 1.557 122.324 120.500 0.446 0.000 2.494 398 R HA 0.525 4.865 4.340 -0.000 0.000 0.305 398 R C -1.595 174.925 176.300 0.366 0.000 0.959 398 R CA -0.618 55.644 56.100 0.269 0.000 0.864 398 R CB 1.334 31.584 30.300 -0.083 0.000 1.159 398 R HN 0.608 nan 8.270 nan 0.000 0.446 399 F N 0.701 120.701 119.950 0.082 0.000 2.603 399 F HA 0.759 5.286 4.527 -0.000 0.000 0.317 399 F C -0.349 175.286 175.800 -0.276 0.000 1.066 399 F CA -0.781 57.192 58.000 -0.044 0.000 0.941 399 F CB 1.895 40.873 39.000 -0.036 0.000 1.291 399 F HN 0.463 nan 8.300 nan 0.000 0.472 400 A N 0.778 123.519 122.820 -0.132 0.000 2.192 400 A HA 0.565 4.885 4.320 -0.000 0.000 0.208 400 A C 0.374 177.908 177.584 -0.083 0.000 1.220 400 A CA 0.742 52.612 52.037 -0.279 0.000 0.900 400 A CB -0.503 18.443 19.000 -0.090 0.000 0.937 400 A HN 1.114 nan 8.150 nan 0.000 0.487 401 S N -1.756 114.060 115.700 0.194 0.000 2.638 401 S HA 0.426 4.896 4.470 -0.000 0.000 0.274 401 S C 0.355 175.211 174.600 0.426 0.000 1.157 401 S CA 0.201 58.593 58.200 0.320 0.000 0.826 401 S CB 1.283 64.599 63.200 0.193 0.000 1.139 401 S HN 0.205 nan 8.310 nan 0.000 0.474 402 E N 0.494 120.952 120.200 0.430 0.000 2.106 402 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 402 E C 1.620 178.322 176.600 0.169 0.000 0.984 402 E CA 1.270 57.907 56.400 0.395 0.000 0.806 402 E CB -0.172 29.721 29.700 0.321 0.000 0.750 402 E HN 0.774 nan 8.360 nan 0.000 0.458 403 E N 0.651 120.927 120.200 0.127 0.000 2.058 403 E HA -0.266 4.083 4.350 -0.000 0.000 0.194 403 E C 2.051 178.663 176.600 0.021 0.000 0.997 403 E CA 1.306 57.742 56.400 0.060 0.000 0.801 403 E CB -0.065 29.669 29.700 0.057 0.000 0.746 403 E HN 0.308 nan 8.360 nan 0.000 0.450 404 E N 0.437 120.663 120.200 0.043 0.000 2.051 404 E HA -0.214 4.136 4.350 -0.000 0.000 0.192 404 E C 2.438 178.975 176.600 -0.105 0.000 0.991 404 E CA 1.049 57.455 56.400 0.010 0.000 0.799 404 E CB -0.153 29.593 29.700 0.077 0.000 0.748 404 E HN 0.302 nan 8.360 nan 0.000 0.449 405 L N 0.441 121.549 121.223 -0.193 0.000 2.012 405 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 405 L C 2.349 178.969 176.870 -0.416 0.000 1.073 405 L CA 1.233 55.750 54.840 -0.539 0.000 0.748 405 L CB -0.222 41.284 42.059 -0.922 0.000 0.891 405 L HN 0.019 nan 8.230 nan 0.000 0.431 406 V N 0.103 119.889 119.914 -0.214 0.000 2.332 406 V HA -0.315 3.804 4.120 -0.000 0.000 0.248 406 V C 2.770 178.774 176.094 -0.151 0.000 1.055 406 V CA 2.283 64.493 62.300 -0.150 0.000 1.038 406 V CB -0.847 30.936 31.823 -0.066 0.000 0.651 406 V HN 0.519 nan 8.190 nan 0.000 0.450 407 R N -0.674 119.746 120.500 -0.134 0.000 2.075 407 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 407 R C 2.217 178.430 176.300 -0.144 0.000 1.126 407 R CA 1.391 57.427 56.100 -0.107 0.000 0.963 407 R CB -0.186 30.075 30.300 -0.065 0.000 0.858 407 R HN 0.331 nan 8.270 nan 0.000 0.435 408 L N 0.465 121.549 121.223 -0.232 0.000 2.109 408 L HA -0.002 4.338 4.340 -0.000 0.000 0.207 408 L C 2.430 179.034 176.870 -0.443 0.000 1.086 408 L CA 1.883 56.537 54.840 -0.310 0.000 0.760 408 L CB -0.999 40.793 42.059 -0.445 0.000 0.910 408 L HN 0.227 nan 8.230 nan 0.000 0.437 409 A N -0.586 121.909 122.820 -0.543 0.000 1.898 409 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 409 A C 1.936 179.485 177.584 -0.057 0.000 1.181 409 A CA 1.638 53.443 52.037 -0.387 0.000 0.620 409 A CB -0.460 18.336 19.000 -0.339 0.000 0.819 409 A HN 0.469 nan 8.150 nan 0.000 0.442 410 N N 0.160 118.811 118.700 -0.082 0.000 2.398 410 N HA -0.007 4.733 4.740 -0.000 0.000 0.188 410 N C -0.170 175.287 175.510 -0.089 0.000 1.122 410 N CA 0.386 53.391 53.050 -0.075 0.000 0.866 410 N CB -0.044 38.386 38.487 -0.096 0.000 0.970 410 N HN 0.360 nan 8.380 nan 0.000 0.462 411 D N 0.671 121.030 120.400 -0.068 0.000 2.934 411 D HA 0.054 4.694 4.640 -0.000 0.000 0.237 411 D C -0.667 175.616 176.300 -0.028 0.000 1.158 411 D CA 0.226 54.196 54.000 -0.049 0.000 0.971 411 D CB -0.258 40.525 40.800 -0.028 0.000 1.123 411 D HN -0.075 nan 8.370 nan 0.000 0.467 412 T N -1.498 113.020 114.554 -0.061 0.000 2.889 412 T HA 0.460 4.810 4.350 -0.000 0.000 0.315 412 T C 0.944 175.518 174.700 -0.211 0.000 1.291 412 T CA 0.111 62.171 62.100 -0.067 0.000 1.028 412 T CB 1.293 70.210 68.868 0.082 0.000 1.235 412 T HN 0.004 nan 8.240 nan 0.000 0.491 413 E N 2.265 122.212 120.200 -0.421 0.000 2.268 413 E HA 0.183 4.533 4.350 -0.000 0.000 0.195 413 E C 0.116 176.367 176.600 -0.582 0.000 0.995 413 E CA 1.096 57.139 56.400 -0.596 0.000 0.836 413 E CB -0.420 28.778 29.700 -0.838 0.000 0.763 413 E HN 0.534 nan 8.360 nan 0.000 0.491 414 F N -1.175 118.733 119.950 -0.071 0.000 2.403 414 F HA 0.647 5.174 4.527 -0.000 0.000 0.326 414 F C 1.218 176.890 175.800 -0.213 0.000 1.081 414 F CA -0.880 57.073 58.000 -0.078 0.000 1.041 414 F CB 2.364 41.365 39.000 0.002 0.000 1.234 414 F HN -0.035 nan 8.300 nan 0.000 0.503 415 G N 1.422 110.218 108.800 -0.007 0.000 4.220 415 G HA2 0.369 4.329 3.960 -0.000 0.000 0.256 415 G HA3 0.369 4.329 3.960 -0.000 0.000 0.256 415 G C -0.620 174.284 174.900 0.007 0.000 1.520 415 G CA -0.119 44.785 45.100 -0.327 0.000 0.608 415 G HN 0.579 nan 8.290 nan 0.000 0.415 416 L N 1.131 122.472 121.223 0.198 0.000 2.428 416 L HA 0.892 5.232 4.340 -0.000 0.000 0.190 416 L C 1.240 178.099 176.870 -0.018 0.000 1.255 416 L CA 1.249 56.113 54.840 0.041 0.000 0.848 416 L CB -0.095 41.954 42.059 -0.017 0.000 1.088 416 L HN 0.358 nan 8.230 nan 0.000 0.500 417 A N -0.780 121.974 122.820 -0.111 0.000 2.337 417 A HA 0.874 5.194 4.320 -0.000 0.000 0.331 417 A C -0.975 176.218 177.584 -0.650 0.000 1.137 417 A CA 0.020 51.827 52.037 -0.382 0.000 0.807 417 A CB 1.039 19.802 19.000 -0.395 0.000 1.250 417 A HN 0.627 nan 8.150 nan 0.000 0.468 418 A N 0.128 122.393 122.820 -0.924 0.000 2.587 418 A HA 0.774 5.094 4.320 -0.000 0.000 0.293 418 A C -1.897 175.097 177.584 -0.984 0.000 1.087 418 A CA -0.431 51.027 52.037 -0.965 0.000 0.692 418 A CB 1.005 19.376 19.000 -1.048 0.000 1.291 418 A HN 0.907 nan 8.150 nan 0.000 0.407 419 Y N -0.021 120.098 120.300 -0.303 0.000 2.406 419 Y HA 0.644 5.193 4.550 -0.000 0.000 0.340 419 Y C -0.622 175.055 175.900 -0.371 0.000 0.975 419 Y CA -0.760 57.151 58.100 -0.315 0.000 1.056 419 Y CB 2.290 40.571 38.460 -0.300 0.000 1.210 419 Y HN 0.624 nan 8.280 nan 0.000 0.448 420 L N 4.157 125.273 121.223 -0.178 0.000 2.406 420 L HA 0.579 4.919 4.340 -0.000 0.000 0.272 420 L C -2.159 174.620 176.870 -0.153 0.000 0.980 420 L CA -1.012 53.758 54.840 -0.117 0.000 0.831 420 L CB 0.839 42.822 42.059 -0.127 0.000 1.253 420 L HN 0.577 nan 8.230 nan 0.000 0.406 421 Y N 3.853 124.115 120.300 -0.064 0.000 2.345 421 Y HA 0.718 5.268 4.550 -0.000 0.000 0.331 421 Y C 0.194 176.177 175.900 0.139 0.000 0.959 421 Y CA -0.103 58.007 58.100 0.016 0.000 1.204 421 Y CB 1.962 40.428 38.460 0.011 0.000 1.135 421 Y HN 0.705 nan 8.280 nan 0.000 0.477 422 S N 2.506 118.284 115.700 0.130 0.000 2.552 422 S HA 0.473 4.943 4.470 -0.000 0.000 0.272 422 S C -0.118 174.492 174.600 0.017 0.000 1.150 422 S CA -0.826 57.425 58.200 0.085 0.000 0.849 422 S CB 1.222 64.378 63.200 -0.074 0.000 1.113 422 S HN 0.641 nan 8.310 nan 0.000 0.458 423 R N 1.337 121.850 120.500 0.022 0.000 2.206 423 R HA 0.228 4.568 4.340 -0.000 0.000 0.198 423 R C -0.091 176.206 176.300 -0.006 0.000 0.986 423 R CA 0.263 56.371 56.100 0.014 0.000 1.029 423 R CB -1.003 29.318 30.300 0.036 0.000 0.966 423 R HN 0.748 nan 8.270 nan 0.000 0.487 424 D N 0.773 121.155 120.400 -0.031 0.000 2.417 424 D HA -0.024 4.616 4.640 -0.000 0.000 0.250 424 D C 1.338 177.628 176.300 -0.017 0.000 1.166 424 D CA -0.066 53.915 54.000 -0.033 0.000 0.881 424 D CB 0.765 41.528 40.800 -0.061 0.000 1.164 424 D HN -0.085 nan 8.370 nan 0.000 0.467 425 I N 3.719 124.297 120.570 0.014 0.000 2.142 425 I HA -0.037 4.133 4.170 -0.000 0.000 0.240 425 I C 1.976 178.163 176.117 0.116 0.000 1.078 425 I CA 1.983 63.327 61.300 0.074 0.000 1.343 425 I CB -0.403 37.624 38.000 0.045 0.000 1.046 425 I HN 0.594 nan 8.210 nan 0.000 0.405 426 G N -0.103 108.717 108.800 0.033 0.000 2.421 426 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 426 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 426 G C 1.851 176.771 174.900 0.034 0.000 1.143 426 G CA 0.688 45.805 45.100 0.028 0.000 0.784 426 G HN 0.408 nan 8.290 nan 0.000 0.541 427 R N 0.018 120.494 120.500 -0.039 0.000 2.080 427 R HA -0.063 4.277 4.340 -0.000 0.000 0.236 427 R C 2.583 178.810 176.300 -0.122 0.000 1.137 427 R CA 1.649 57.668 56.100 -0.134 0.000 0.943 427 R CB -0.513 29.618 30.300 -0.282 0.000 0.846 427 R HN 0.210 nan 8.270 nan 0.000 0.431 428 V N -0.096 119.768 119.914 -0.083 0.000 2.287 428 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 428 V C 1.947 178.012 176.094 -0.048 0.000 1.053 428 V CA 2.125 64.373 62.300 -0.086 0.000 1.027 428 V CB -0.629 31.157 31.823 -0.063 0.000 0.646 428 V HN 0.483 nan 8.190 nan 0.000 0.447 429 W N 0.269 121.511 121.300 -0.097 0.000 2.358 429 W HA -0.104 4.556 4.660 -0.000 0.000 0.303 429 W C 2.811 179.288 176.519 -0.070 0.000 1.208 429 W CA 1.707 59.007 57.345 -0.075 0.000 1.274 429 W CB -0.320 29.103 29.460 -0.061 0.000 1.138 429 W HN 0.067 nan 8.180 nan 0.000 0.515 430 R N -0.547 120.048 120.500 0.159 0.000 2.070 430 R HA -0.159 4.181 4.340 -0.000 0.000 0.233 430 R C 1.949 178.260 176.300 0.018 0.000 1.137 430 R CA 1.966 58.112 56.100 0.077 0.000 0.945 430 R CB -1.238 29.084 30.300 0.037 0.000 0.845 430 R HN 0.070 nan 8.270 nan 0.000 0.430 431 V N 1.152 121.054 119.914 -0.020 0.000 2.343 431 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 431 V C 2.472 178.528 176.094 -0.063 0.000 1.051 431 V CA 1.973 64.253 62.300 -0.035 0.000 1.036 431 V CB -0.783 31.024 31.823 -0.026 0.000 0.654 431 V HN 0.440 nan 8.190 nan 0.000 0.451 432 A N -0.522 122.234 122.820 -0.107 0.000 1.908 432 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 432 A C 2.204 179.712 177.584 -0.126 0.000 1.181 432 A CA 2.055 53.993 52.037 -0.165 0.000 0.627 432 A CB -0.461 18.363 19.000 -0.294 0.000 0.818 432 A HN 0.637 nan 8.150 nan 0.000 0.445 433 E N -0.577 119.577 120.200 -0.077 0.000 2.072 433 E HA -0.054 4.296 4.350 -0.000 0.000 0.190 433 E C 2.312 178.896 176.600 -0.026 0.000 0.982 433 E CA 0.820 57.200 56.400 -0.034 0.000 0.803 433 E CB -0.239 29.487 29.700 0.044 0.000 0.755 433 E HN 0.615 nan 8.360 nan 0.000 0.453 434 A N 1.268 124.076 122.820 -0.020 0.000 1.969 434 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 434 A C 1.278 178.848 177.584 -0.024 0.000 1.169 434 A CA 0.363 52.388 52.037 -0.021 0.000 0.635 434 A CB -0.455 18.534 19.000 -0.018 0.000 0.810 434 A HN 0.104 nan 8.150 nan 0.000 0.445 435 L N 1.446 122.664 121.223 -0.008 0.000 2.534 435 L HA 0.009 4.349 4.340 -0.000 0.000 0.271 435 L C 0.092 177.002 176.870 0.068 0.000 1.178 435 L CA -0.009 54.876 54.840 0.076 0.000 0.907 435 L CB 0.289 42.397 42.059 0.082 0.000 1.164 435 L HN 0.356 nan 8.230 nan 0.000 0.482 436 E N 4.618 124.791 120.200 -0.044 0.000 1.892 436 E HA 0.200 4.550 4.350 -0.000 0.000 0.271 436 E C -1.387 174.888 176.600 -0.542 0.000 1.146 436 E CA -0.020 56.233 56.400 -0.246 0.000 1.096 436 E CB 0.161 29.689 29.700 -0.287 0.000 1.155 436 E HN 0.343 nan 8.360 nan 0.000 0.458 437 Y N -1.426 118.796 120.300 -0.130 0.000 2.562 437 Y HA 0.295 4.845 4.550 -0.000 0.000 0.345 437 Y C 1.253 177.051 175.900 -0.171 0.000 1.045 437 Y CA -1.002 57.007 58.100 -0.151 0.000 1.028 437 Y CB 1.671 40.020 38.460 -0.186 0.000 1.297 437 Y HN 0.280 nan 8.280 nan 0.000 0.463 438 G N 1.034 109.813 108.800 -0.034 0.000 2.448 438 G HA2 0.063 4.023 3.960 -0.000 0.000 0.218 438 G HA3 0.063 4.023 3.960 -0.000 0.000 0.218 438 G C 0.056 174.855 174.900 -0.169 0.000 1.135 438 G CA 0.566 45.592 45.100 -0.123 0.000 0.784 438 G HN 0.425 nan 8.290 nan 0.000 0.543 439 M N -0.104 119.386 119.600 -0.185 0.000 2.371 439 M HA 0.440 4.920 4.480 -0.000 0.000 0.287 439 M C -1.850 174.266 176.300 -0.306 0.000 1.149 439 M CA -0.457 54.688 55.300 -0.259 0.000 0.929 439 M CB 3.557 35.944 32.600 -0.355 0.000 1.683 439 M HN -0.258 nan 8.290 nan 0.000 0.470 440 V N 1.618 121.358 119.914 -0.290 0.000 2.482 440 V HA 0.600 4.720 4.120 -0.000 0.000 0.295 440 V C 0.197 176.121 176.094 -0.283 0.000 1.026 440 V CA -0.816 61.282 62.300 -0.337 0.000 0.856 440 V CB 1.854 33.511 31.823 -0.276 0.000 1.001 440 V HN 1.007 nan 8.190 nan 0.000 0.424 441 G N 4.855 113.478 108.800 -0.295 0.000 2.349 441 G HA2 0.575 4.535 3.960 -0.000 0.000 0.281 441 G HA3 0.575 4.535 3.960 -0.000 0.000 0.281 441 G C -0.522 174.277 174.900 -0.167 0.000 1.182 441 G CA -0.213 44.827 45.100 -0.101 0.000 0.899 441 G HN 0.652 nan 8.290 nan 0.000 0.455 442 I N 2.844 123.290 120.570 -0.208 0.000 2.306 442 I HA 0.138 4.308 4.170 -0.000 0.000 0.288 442 I C 0.306 176.192 176.117 -0.384 0.000 1.036 442 I CA -0.565 60.565 61.300 -0.285 0.000 1.221 442 I CB 1.003 38.857 38.000 -0.242 0.000 1.385 442 I HN 0.533 nan 8.210 nan 0.000 0.472 443 N N 2.193 120.442 118.700 -0.751 0.000 2.708 443 N HA -0.191 4.549 4.740 -0.000 0.000 0.251 443 N C 0.005 175.104 175.510 -0.685 0.000 1.123 443 N CA 1.382 53.746 53.050 -1.144 0.000 0.739 443 N CB -0.852 37.355 38.487 -0.467 0.000 1.113 443 N HN 0.700 nan 8.380 nan 0.000 0.561 444 T N -2.650 111.674 114.554 -0.384 0.000 2.906 444 T HA 0.611 4.961 4.350 -0.000 0.000 0.295 444 T C 1.164 176.033 174.700 0.282 0.000 1.061 444 T CA 0.129 62.268 62.100 0.065 0.000 1.000 444 T CB 1.728 70.624 68.868 0.047 0.000 1.103 444 T HN 0.055 nan 8.240 nan 0.000 0.486 445 G N 1.997 110.991 108.800 0.323 0.000 2.662 445 G HA2 0.301 4.261 3.960 -0.000 0.000 0.212 445 G HA3 0.301 4.261 3.960 -0.000 0.000 0.212 445 G C 0.096 175.062 174.900 0.109 0.000 1.141 445 G CA 0.128 45.352 45.100 0.208 0.000 0.797 445 G HN 0.564 nan 8.290 nan 0.000 0.531 446 L N 0.816 122.132 121.223 0.156 0.000 2.362 446 L HA 0.522 4.862 4.340 -0.000 0.000 0.275 446 L C 0.501 177.451 176.870 0.134 0.000 0.998 446 L CA -0.698 54.223 54.840 0.135 0.000 0.820 446 L CB 2.193 44.298 42.059 0.077 0.000 1.270 446 L HN 0.256 nan 8.230 nan 0.000 0.415 447 I N -2.546 118.110 120.570 0.145 0.000 4.557 447 I HA 0.296 4.466 4.170 -0.000 0.000 0.333 447 I C 0.085 176.269 176.117 0.111 0.000 1.332 447 I CA -0.069 61.293 61.300 0.104 0.000 1.240 447 I CB 1.066 39.115 38.000 0.082 0.000 1.312 447 I HN 0.347 nan 8.210 nan 0.000 0.457 448 S N 3.211 118.983 115.700 0.119 0.000 2.545 448 S HA 0.545 5.015 4.470 -0.000 0.000 0.275 448 S C -0.386 174.287 174.600 0.122 0.000 1.299 448 S CA -0.295 58.008 58.200 0.171 0.000 1.048 448 S CB 0.687 63.902 63.200 0.025 0.000 0.938 448 S HN 0.790 nan 8.310 nan 0.000 0.496 449 N N -0.141 118.692 118.700 0.222 0.000 3.355 449 N HA 0.131 4.871 4.740 -0.000 0.000 0.238 449 N C 0.176 175.548 175.510 -0.231 0.000 1.466 449 N CA -0.876 52.213 53.050 0.064 0.000 0.882 449 N CB 0.440 38.887 38.487 -0.068 0.000 1.406 449 N HN 0.367 nan 8.380 nan 0.000 0.500 450 E N -0.238 119.527 120.200 -0.724 0.000 2.268 450 E HA -0.115 4.235 4.350 -0.000 0.000 0.195 450 E C 1.045 176.953 176.600 -1.154 0.000 0.995 450 E CA 1.530 57.187 56.400 -1.239 0.000 0.836 450 E CB -0.044 28.886 29.700 -1.283 0.000 0.763 450 E HN 0.466 nan 8.360 nan 0.000 0.491 451 V N -0.232 119.125 119.914 -0.929 0.000 3.565 451 V HA 0.430 4.550 4.120 -0.000 0.000 0.260 451 V C 0.859 176.697 176.094 -0.427 0.000 1.231 451 V CA 0.417 62.086 62.300 -1.052 0.000 1.100 451 V CB 0.108 31.404 31.823 -0.880 0.000 0.807 451 V HN 0.298 nan 8.190 nan 0.000 0.454 452 A N 2.617 125.304 122.820 -0.221 0.000 2.306 452 A HA 0.773 5.093 4.320 -0.000 0.000 0.314 452 A C -2.608 175.010 177.584 0.057 0.000 1.164 452 A CA -1.825 50.186 52.037 -0.043 0.000 0.822 452 A CB 0.370 19.364 19.000 -0.010 0.000 1.130 452 A HN 0.382 nan 8.150 nan 0.000 0.496 453 P HA 0.130 nan 4.420 nan 0.000 0.269 453 P C -1.042 176.316 177.300 0.096 0.000 1.252 453 P CA 0.401 63.560 63.100 0.098 0.000 0.780 453 P CB 0.069 31.749 31.700 -0.033 0.000 0.829 454 F N 4.065 124.036 119.950 0.035 0.000 2.410 454 F HA 0.638 5.165 4.527 -0.000 0.000 0.349 454 F C 0.662 176.461 175.800 -0.000 0.000 1.117 454 F CA 0.838 58.851 58.000 0.022 0.000 1.104 454 F CB 1.259 40.297 39.000 0.063 0.000 1.122 454 F HN 0.595 nan 8.300 nan 0.000 0.483 455 G N 2.643 111.302 108.800 -0.234 0.000 2.328 455 G HA2 0.450 4.410 3.960 -0.000 0.000 0.299 455 G HA3 0.450 4.410 3.960 -0.000 0.000 0.299 455 G C -1.571 173.222 174.900 -0.178 0.000 1.435 455 G CA -0.284 44.756 45.100 -0.100 0.000 0.865 455 G HN 0.965 nan 8.290 nan 0.000 0.601 456 G N -1.523 107.223 108.800 -0.089 0.000 2.537 456 G HA2 0.930 4.890 3.960 -0.000 0.000 0.308 456 G HA3 0.930 4.890 3.960 -0.000 0.000 0.308 456 G C -0.016 174.848 174.900 -0.061 0.000 1.237 456 G CA 0.149 45.203 45.100 -0.078 0.000 0.968 456 G HN 1.861 nan 8.290 nan 0.000 0.481 457 V N -1.753 118.114 119.914 -0.078 0.000 3.211 457 V HA 0.826 4.946 4.120 -0.000 0.000 0.319 457 V C 0.772 176.819 176.094 -0.078 0.000 1.096 457 V CA -0.345 61.902 62.300 -0.088 0.000 1.029 457 V CB 0.937 32.686 31.823 -0.123 0.000 1.137 457 V HN 1.113 nan 8.190 nan 0.000 0.453 458 K N -0.988 119.363 120.400 -0.083 0.000 1.957 458 K HA -0.228 4.092 4.320 -0.000 0.000 0.155 458 K C 1.131 177.709 176.600 -0.037 0.000 1.342 458 K CA 1.637 57.873 56.287 -0.086 0.000 0.382 458 K CB -1.350 31.064 32.500 -0.143 0.000 0.664 458 K HN 0.776 nan 8.250 nan 0.000 0.799 459 Q N 0.632 120.415 119.800 -0.029 0.000 2.444 459 Q HA 0.121 4.461 4.340 -0.000 0.000 0.206 459 Q C 1.450 177.585 176.000 0.225 0.000 0.948 459 Q CA 0.912 56.749 55.803 0.057 0.000 0.946 459 Q CB 0.534 29.228 28.738 -0.073 0.000 1.027 459 Q HN 0.383 nan 8.270 nan 0.000 0.513 460 S N -0.280 115.528 115.700 0.180 0.000 2.522 460 S HA 0.211 4.680 4.470 -0.000 0.000 0.227 460 S C 1.043 175.700 174.600 0.095 0.000 0.986 460 S CA 0.611 58.903 58.200 0.153 0.000 0.929 460 S CB 0.298 63.553 63.200 0.093 0.000 0.769 460 S HN 0.636 nan 8.310 nan 0.000 0.529 461 G N 0.471 109.312 108.800 0.067 0.000 2.301 461 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.194 461 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.194 461 G C -1.693 173.222 174.900 0.026 0.000 1.266 461 G CA -0.827 44.309 45.100 0.059 0.000 1.210 461 G HN 0.273 nan 8.290 nan 0.000 0.524 462 L N 0.547 121.789 121.223 0.032 0.000 2.434 462 L HA 0.699 5.039 4.340 -0.000 0.000 0.260 462 L C 0.801 177.679 176.870 0.015 0.000 0.983 462 L CA -0.114 54.733 54.840 0.012 0.000 0.820 462 L CB 1.773 43.838 42.059 0.010 0.000 1.361 462 L HN 2.584 nan 8.230 nan 0.000 0.410 463 G N 1.645 110.446 108.800 0.001 0.000 2.828 463 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.463 463 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.463 463 G C -1.200 173.718 174.900 0.030 0.000 1.394 463 G CA -0.804 44.302 45.100 0.011 0.000 0.862 463 G HN 0.519 nan 8.290 nan 0.000 0.540 464 R N 0.266 120.807 120.500 0.069 0.000 2.795 464 R HA 0.653 4.993 4.340 -0.000 0.000 0.275 464 R C -0.360 176.060 176.300 0.200 0.000 0.981 464 R CA -0.705 55.462 56.100 0.112 0.000 0.917 464 R CB 1.858 32.194 30.300 0.060 0.000 1.202 464 R HN 0.764 nan 8.270 nan 0.000 0.469 465 E N -0.130 120.220 120.200 0.250 0.000 2.288 465 E HA 0.575 4.925 4.350 -0.000 0.000 0.268 465 E C -0.320 176.505 176.600 0.376 0.000 0.885 465 E CA -0.706 55.859 56.400 0.276 0.000 0.767 465 E CB 2.440 32.212 29.700 0.120 0.000 1.220 465 E HN 0.762 nan 8.360 nan 0.000 0.427 466 G N 1.910 111.049 108.800 0.565 0.000 2.855 466 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.352 466 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.352 466 G C -0.006 175.069 174.900 0.291 0.000 1.415 466 G CA -0.063 45.343 45.100 0.510 0.000 0.871 466 G HN 1.633 nan 8.290 nan 0.000 0.543 467 S N -2.841 112.796 115.700 -0.105 0.000 3.654 467 S HA -0.177 4.293 4.470 -0.000 0.000 0.640 467 S C 0.988 175.863 174.600 0.458 0.000 2.223 467 S CA 1.798 60.039 58.200 0.069 0.000 2.391 467 S CB -1.091 62.160 63.200 0.086 0.000 0.328 467 S HN 2.842 nan 8.310 nan 0.000 1.790 468 H N -0.130 119.167 119.070 0.378 0.000 2.491 468 H HA 0.132 4.688 4.556 -0.000 0.000 0.290 468 H C 1.532 176.948 175.328 0.147 0.000 1.050 468 H CA 1.757 57.921 56.048 0.193 0.000 1.309 468 H CB -0.679 29.076 29.762 -0.012 0.000 1.392 468 H HN 0.606 nan 8.280 nan 0.000 0.554 469 Y N 1.139 121.358 120.300 -0.136 0.000 2.421 469 Y HA 0.047 4.597 4.550 -0.000 0.000 0.292 469 Y C 2.804 178.830 175.900 0.210 0.000 1.136 469 Y CA 0.969 59.079 58.100 0.016 0.000 1.255 469 Y CB -0.448 37.956 38.460 -0.094 0.000 0.991 469 Y HN 0.491 nan 8.280 nan 0.000 0.552 470 G N -0.166 108.932 108.800 0.497 0.000 2.432 470 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.219 470 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.219 470 G C 1.650 176.868 174.900 0.531 0.000 1.135 470 G CA 0.898 46.353 45.100 0.591 0.000 0.767 470 G HN 0.505 nan 8.290 nan 0.000 0.550 471 I N -0.120 120.789 120.570 0.565 0.000 3.030 471 I HA 0.024 4.194 4.170 -0.000 0.000 0.270 471 I C 1.701 178.036 176.117 0.364 0.000 1.211 471 I CA 0.419 61.971 61.300 0.420 0.000 1.479 471 I CB 0.065 38.301 38.000 0.393 0.000 1.105 471 I HN -0.044 nan 8.210 nan 0.000 0.447 472 D N 1.336 121.921 120.400 0.309 0.000 2.172 472 D HA -0.225 4.415 4.640 -0.000 0.000 0.196 472 D C 1.229 177.622 176.300 0.155 0.000 0.999 472 D CA 1.386 55.520 54.000 0.223 0.000 0.856 472 D CB -0.182 40.756 40.800 0.229 0.000 0.934 472 D HN 0.394 nan 8.370 nan 0.000 0.453 473 D N -1.145 119.319 120.400 0.106 0.000 2.340 473 D HA -0.032 4.608 4.640 -0.000 0.000 0.220 473 D C 0.818 176.937 176.300 -0.301 0.000 1.039 473 D CA 0.174 54.111 54.000 -0.105 0.000 0.866 473 D CB -0.033 40.652 40.800 -0.192 0.000 0.913 473 D HN 0.388 nan 8.370 nan 0.000 0.523 474 Y N -0.298 120.030 120.300 0.048 0.000 2.467 474 Y HA 0.114 4.664 4.550 -0.000 0.000 0.250 474 Y C 0.881 176.816 175.900 0.058 0.000 1.155 474 Y CA -0.422 57.696 58.100 0.030 0.000 1.249 474 Y CB 0.649 39.115 38.460 0.011 0.000 1.146 474 Y HN -0.212 nan 8.280 nan 0.000 0.524 475 V N -2.551 117.464 119.914 0.169 0.000 3.019 475 V HA 0.779 4.899 4.120 -0.000 0.000 0.317 475 V C -0.727 175.430 176.094 0.106 0.000 1.094 475 V CA -1.254 61.134 62.300 0.147 0.000 1.000 475 V CB 2.088 34.000 31.823 0.148 0.000 1.060 475 V HN -0.294 nan 8.190 nan 0.000 0.443 476 V N 3.199 123.179 119.914 0.111 0.000 2.656 476 V HA 0.635 4.755 4.120 -0.000 0.000 0.307 476 V C -0.443 175.706 176.094 0.092 0.000 1.051 476 V CA -0.542 61.813 62.300 0.092 0.000 0.893 476 V CB 1.863 33.743 31.823 0.096 0.000 0.999 476 V HN 1.107 nan 8.190 nan 0.000 0.426 477 I N 3.481 124.100 120.570 0.082 0.000 2.440 477 I HA 0.599 4.769 4.170 -0.000 0.000 0.294 477 I C -0.434 175.738 176.117 0.091 0.000 0.995 477 I CA 0.030 61.381 61.300 0.084 0.000 1.306 477 I CB 1.054 39.100 38.000 0.078 0.000 1.407 477 I HN 0.618 nan 8.210 nan 0.000 0.501 478 K N 5.555 126.012 120.400 0.095 0.000 2.483 478 K HA 0.278 4.598 4.320 -0.000 0.000 0.256 478 K C -1.777 174.907 176.600 0.140 0.000 0.961 478 K CA -0.782 55.563 56.287 0.097 0.000 0.873 478 K CB 0.886 33.423 32.500 0.061 0.000 1.107 478 K HN 0.724 nan 8.250 nan 0.000 0.432 479 Y N 5.934 126.246 120.300 0.020 0.000 2.365 479 Y HA 0.328 4.878 4.550 -0.000 0.000 0.340 479 Y C -1.416 174.491 175.900 0.012 0.000 1.016 479 Y CA -0.642 57.467 58.100 0.015 0.000 1.196 479 Y CB 0.473 38.942 38.460 0.015 0.000 1.167 479 Y HN 0.460 nan 8.280 nan 0.000 0.509 480 L N 7.368 128.502 121.223 -0.148 0.000 2.313 480 L HA 0.403 4.742 4.340 -0.000 0.000 0.283 480 L C -0.750 175.905 176.870 -0.359 0.000 1.013 480 L CA -0.755 53.915 54.840 -0.283 0.000 0.816 480 L CB 1.570 43.576 42.059 -0.088 0.000 1.236 480 L HN 0.754 nan 8.230 nan 0.000 0.419 481 C N 4.926 123.943 119.300 -0.472 0.000 2.317 481 C HA 0.502 4.962 4.460 -0.000 0.000 0.306 481 C C 0.179 175.104 174.990 -0.109 0.000 1.087 481 C CA -0.532 58.332 59.018 -0.257 0.000 1.529 481 C CB -0.192 27.346 27.740 -0.337 0.000 1.880 481 C HN 0.548 nan 8.230 nan 0.000 0.417 482 V N 6.323 126.211 119.914 -0.043 0.000 2.389 482 V HA 0.383 4.503 4.120 -0.000 0.000 0.264 482 V C 1.038 177.126 176.094 -0.010 0.000 1.049 482 V CA -0.090 62.193 62.300 -0.028 0.000 0.932 482 V CB 0.531 32.346 31.823 -0.014 0.000 1.011 482 V HN 0.971 nan 8.190 nan 0.000 0.475 483 A N 5.532 128.343 122.820 -0.015 0.000 2.444 483 A HA 0.466 4.786 4.320 -0.000 0.000 0.273 483 A C 0.217 177.799 177.584 -0.004 0.000 1.136 483 A CA 0.099 52.133 52.037 -0.006 0.000 0.799 483 A CB 0.498 19.493 19.000 -0.009 0.000 1.081 483 A HN 0.744 nan 8.150 nan 0.000 0.509 484 V N 0.000 119.915 119.914 0.001 0.000 2.409 484 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 484 V CA 0.000 62.301 62.300 0.001 0.000 1.235 484 V CB 0.000 31.826 31.823 0.005 0.000 1.184 484 V HN 0.000 nan 8.190 nan 0.000 0.556