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 1dce_1_A DATA FIRST_RESID 2 DATA SEQUENCE HGRLKVKTSE EQAEAKRLER EQKLKLYQSA TQAVFQKRQA GELDESVLEL DATA SEQUENCE TSQILGANPD FATLWNCRRE VLQHLETEKS PEESAALVKA ELGFLESCLR DATA SEQUENCE VNPKSYGTWH HRCWLLSRLP EPNWARELEL CARFLEADER NFHCWDYRRF DATA SEQUENCE VAAQAAVAPA EELAFTDSLI TRNFSNYSSW HYRSCLLPQL HPQPDSGPQG DATA SEQUENCE RLPENVLLKE LELVQNAFFT DPNDQSAWFY HRWLLGRAEP HDVLCCVHVS DATA SEQUENCE REEACLSVCF SRPLTVGSRM GTLLLMVDEA PLSVEWRTPD GRNRPSHVWL DATA SEQUENCE CDLPAASLND QLPQHTFRVI WTGSDSQKEC VLLKDRPECW CRDSATDEQL DATA SEQUENCE FRCELSVEKS TVLQSELESC KELQELEPEN KWCLLTIILL MRALDPLLYE DATA SEQUENCE KETLQYFSTL KAVDPMRAAY LDDLRSKFLL ENSVLKMEYA DVRVLHLAHK DATA SEQUENCE DLTVLCHLEQ LLLVTHLDLS HNRLRALPPA LAALRCLEVL QASDNALENV DATA SEQUENCE DGVANLPRLQ ELLLCNNRLQ QSAAIQPLVS CPRLVLLNLQ GNSLCQEEGI DATA SEQUENCE QERLAEMLPS VSSILT 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 2 H HA 0.000 nan 4.556 nan 0.000 0.296 2 H C 0.000 175.340 175.328 0.020 0.000 0.993 2 H CA 0.000 56.062 56.048 0.024 0.000 1.023 2 H CB 0.000 29.781 29.762 0.032 0.000 1.292 3 G N 1.582 110.456 108.800 0.123 0.000 2.168 3 G HA2 -0.299 3.662 3.960 0.001 0.000 0.263 3 G HA3 -0.299 3.662 3.960 0.001 0.000 0.263 3 G C -0.025 174.900 174.900 0.042 0.000 0.977 3 G CA -0.170 44.978 45.100 0.081 0.000 0.659 3 G HN 0.445 nan 8.290 nan 0.000 0.533 4 R N 0.001 120.513 120.500 0.020 0.000 2.272 4 R HA 0.336 4.677 4.340 0.001 0.000 0.334 4 R C 0.499 176.800 176.300 0.003 0.000 1.117 4 R CA -0.644 55.459 56.100 0.005 0.000 0.966 4 R CB 0.579 30.872 30.300 -0.012 0.000 1.049 4 R HN 0.330 nan 8.270 nan 0.000 0.477 5 L N 3.011 124.239 121.223 0.008 0.000 2.453 5 L HA 0.035 4.376 4.340 0.001 0.000 0.272 5 L C 0.692 177.562 176.870 -0.000 0.000 1.182 5 L CA 0.586 55.430 54.840 0.006 0.000 0.858 5 L CB 0.440 42.505 42.059 0.009 0.000 1.120 5 L HN 0.174 nan 8.230 nan 0.000 0.474 6 K N 4.600 124.999 120.400 -0.001 0.000 2.219 6 K HA 0.229 4.550 4.320 0.001 0.000 0.280 6 K C -0.297 176.301 176.600 -0.002 0.000 1.104 6 K CA 0.011 56.296 56.287 -0.004 0.000 0.925 6 K CB 0.303 32.799 32.500 -0.005 0.000 1.261 6 K HN 0.628 nan 8.250 nan 0.000 0.445 7 V N 3.153 123.066 119.914 -0.003 0.000 3.949 7 V HA 0.125 4.246 4.120 0.001 0.000 0.195 7 V C 1.838 177.930 176.094 -0.003 0.000 1.114 7 V CA 0.909 63.208 62.300 -0.001 0.000 1.384 7 V CB -0.402 31.421 31.823 -0.000 0.000 1.685 7 V HN 0.551 nan 8.190 nan 0.000 0.492 8 K N 0.169 120.566 120.400 -0.004 0.000 2.358 8 K HA 0.507 4.827 4.320 0.001 0.000 0.197 8 K C 0.803 177.399 176.600 -0.006 0.000 1.025 8 K CA 0.873 57.157 56.287 -0.004 0.000 1.104 8 K CB -0.669 31.829 32.500 -0.004 0.000 0.855 8 K HN 0.717 nan 8.250 nan 0.000 0.531 9 T N 0.572 115.122 114.554 -0.008 0.000 3.262 9 T HA 0.628 4.979 4.350 0.001 0.000 0.374 9 T C 0.214 174.908 174.700 -0.010 0.000 1.504 9 T CA 0.277 62.371 62.100 -0.010 0.000 1.158 9 T CB -0.500 68.360 68.868 -0.013 0.000 1.157 9 T HN 0.700 nan 8.240 nan 0.000 0.644 10 S N 0.498 116.193 115.700 -0.008 0.000 2.550 10 S HA 0.770 5.241 4.470 0.001 0.000 0.270 10 S C 0.141 174.737 174.600 -0.007 0.000 1.145 10 S CA 0.008 58.204 58.200 -0.008 0.000 0.852 10 S CB 0.313 63.510 63.200 -0.006 0.000 1.119 10 S HN 0.910 nan 8.310 nan 0.000 0.465 11 E N -0.291 119.905 120.200 -0.007 0.000 2.778 11 E HA 0.471 4.822 4.350 0.001 0.000 0.318 11 E C 0.515 177.112 176.600 -0.005 0.000 1.309 11 E CA 0.724 57.121 56.400 -0.006 0.000 1.419 11 E CB -1.556 28.141 29.700 -0.006 0.000 1.150 11 E HN 1.660 nan 8.360 nan 0.000 0.492 12 E N -1.961 118.236 120.200 -0.004 0.000 2.422 12 E HA 0.338 4.689 4.350 0.001 0.000 0.146 12 E C 1.212 177.810 176.600 -0.003 0.000 0.861 12 E CA 0.732 57.130 56.400 -0.003 0.000 1.354 12 E CB -1.127 28.571 29.700 -0.003 0.000 1.294 12 E HN 0.910 nan 8.360 nan 0.000 0.586 13 Q N -0.543 119.255 119.800 -0.004 0.000 2.282 13 Q HA 0.748 5.089 4.340 0.001 0.000 0.205 13 Q C 1.615 177.613 176.000 -0.004 0.000 0.915 13 Q CA 1.033 56.834 55.803 -0.004 0.000 0.949 13 Q CB -0.831 27.904 28.738 -0.005 0.000 1.035 13 Q HN 2.139 nan 8.270 nan 0.000 0.484 14 A N -1.540 121.278 122.820 -0.003 0.000 2.681 14 A HA 0.111 4.432 4.320 0.001 0.000 0.304 14 A C 0.582 178.164 177.584 -0.003 0.000 1.516 14 A CA 1.735 53.770 52.037 -0.003 0.000 0.837 14 A CB -2.268 16.731 19.000 -0.002 0.000 0.998 14 A HN 1.985 nan 8.150 nan 0.000 0.466 15 E N -1.642 118.556 120.200 -0.004 0.000 2.646 15 E HA 0.720 5.071 4.350 0.001 0.000 0.336 15 E C -0.217 176.380 176.600 -0.006 0.000 1.027 15 E CA 0.652 57.049 56.400 -0.005 0.000 0.765 15 E CB 0.062 29.760 29.700 -0.005 0.000 1.545 15 E HN 2.225 nan 8.360 nan 0.000 0.382 16 A N 1.183 124.000 122.820 -0.005 0.000 2.256 16 A HA 0.747 5.068 4.320 0.001 0.000 0.276 16 A C 2.285 179.865 177.584 -0.007 0.000 1.259 16 A CA 1.074 53.108 52.037 -0.006 0.000 0.813 16 A CB -0.416 18.581 19.000 -0.005 0.000 1.200 16 A HN 2.026 nan 8.150 nan 0.000 0.506 17 K N -1.430 118.966 120.400 -0.008 0.000 2.346 17 K HA -0.210 4.111 4.320 0.001 0.000 0.215 17 K C 2.003 178.597 176.600 -0.009 0.000 0.710 17 K CA 5.062 61.344 56.287 -0.009 0.000 0.941 17 K CB -2.206 30.289 32.500 -0.008 0.000 0.509 17 K HN 2.623 nan 8.250 nan 0.000 0.900 18 R N -2.050 118.445 120.500 -0.008 0.000 3.424 18 R HA 0.090 4.431 4.340 0.001 0.000 0.247 18 R C 1.298 177.592 176.300 -0.010 0.000 1.000 18 R CA 2.477 58.572 56.100 -0.008 0.000 0.672 18 R CB -2.734 27.562 30.300 -0.007 0.000 1.042 18 R HN 2.308 nan 8.270 nan 0.000 0.470 19 L N -1.209 120.007 121.223 -0.012 0.000 2.422 19 L HA 0.808 5.149 4.340 0.001 0.000 0.256 19 L C 0.872 177.732 176.870 -0.016 0.000 1.202 19 L CA 0.728 55.559 54.840 -0.015 0.000 1.119 19 L CB -0.661 41.388 42.059 -0.017 0.000 1.383 19 L HN 1.229 nan 8.230 nan 0.000 0.411 20 E N 0.149 120.340 120.200 -0.015 0.000 2.875 20 E HA 0.831 5.182 4.350 0.001 0.000 0.208 20 E C 1.428 178.018 176.600 -0.017 0.000 0.712 20 E CA 0.705 57.097 56.400 -0.013 0.000 1.321 20 E CB -0.156 29.538 29.700 -0.010 0.000 1.796 20 E HN 2.311 nan 8.360 nan 0.000 0.410 21 R N -1.968 118.524 120.500 -0.013 0.000 3.863 21 R HA -0.153 4.188 4.340 0.001 0.000 0.313 21 R C 1.316 177.604 176.300 -0.019 0.000 1.202 21 R CA 2.859 58.950 56.100 -0.015 0.000 0.852 21 R CB -3.141 27.148 30.300 -0.019 0.000 1.292 21 R HN 1.902 nan 8.270 nan 0.000 0.519 22 E N -1.674 118.517 120.200 -0.015 0.000 2.385 22 E HA 0.226 4.576 4.350 0.001 0.000 0.194 22 E C 2.447 179.048 176.600 0.002 0.000 1.013 22 E CA 1.733 58.126 56.400 -0.011 0.000 0.866 22 E CB -0.752 28.941 29.700 -0.011 0.000 0.832 22 E HN 1.705 nan 8.360 nan 0.000 0.500 23 Q N 0.043 119.844 119.800 0.002 0.000 2.152 23 Q HA -0.189 4.152 4.340 0.001 0.000 0.206 23 Q C 2.578 178.588 176.000 0.017 0.000 0.985 23 Q CA 3.330 59.137 55.803 0.007 0.000 0.863 23 Q CB -1.376 27.364 28.738 0.003 0.000 0.904 23 Q HN 0.844 nan 8.270 nan 0.000 0.422 24 K N -0.493 119.916 120.400 0.015 0.000 2.167 24 K HA 0.466 4.787 4.320 0.001 0.000 0.203 24 K C 2.494 179.130 176.600 0.059 0.000 1.052 24 K CA 1.681 57.986 56.287 0.030 0.000 0.956 24 K CB -1.290 31.213 32.500 0.006 0.000 0.735 24 K HN 1.159 nan 8.250 nan 0.000 0.451 25 L N 0.653 121.892 121.223 0.026 0.000 2.240 25 L HA 0.273 4.613 4.340 0.001 0.000 0.211 25 L C 2.899 179.831 176.870 0.102 0.000 1.106 25 L CA 2.269 57.133 54.840 0.040 0.000 0.793 25 L CB -1.891 40.151 42.059 -0.027 0.000 0.927 25 L HN 0.662 nan 8.230 nan 0.000 0.446 26 K N -0.385 120.050 120.400 0.060 0.000 2.001 26 K HA -0.018 4.302 4.320 0.001 0.000 0.208 26 K C 2.182 178.813 176.600 0.052 0.000 1.048 26 K CA 1.426 57.742 56.287 0.047 0.000 0.932 26 K CB -1.033 31.481 32.500 0.023 0.000 0.715 26 K HN 0.478 nan 8.250 nan 0.000 0.437 27 L N -0.337 120.917 121.223 0.052 0.000 2.051 27 L HA -0.139 4.202 4.340 0.001 0.000 0.214 27 L C 2.513 179.411 176.870 0.046 0.000 1.076 27 L CA 2.107 56.969 54.840 0.037 0.000 0.758 27 L CB -0.550 41.533 42.059 0.041 0.000 0.890 27 L HN 0.625 nan 8.230 nan 0.000 0.433 28 Y N -0.261 120.021 120.300 -0.030 0.000 2.133 28 Y HA -0.291 4.260 4.550 0.001 0.000 0.287 28 Y C 2.636 178.514 175.900 -0.036 0.000 1.134 28 Y CA 1.948 60.031 58.100 -0.028 0.000 1.133 28 Y CB -0.180 38.268 38.460 -0.020 0.000 0.987 28 Y HN 0.261 nan 8.280 nan 0.000 0.502 29 Q N -0.538 119.327 119.800 0.107 0.000 2.124 29 Q HA -0.179 4.162 4.340 0.001 0.000 0.202 29 Q C 2.308 178.265 176.000 -0.072 0.000 0.977 29 Q CA 1.962 57.775 55.803 0.017 0.000 0.850 29 Q CB -0.172 28.612 28.738 0.076 0.000 0.901 29 Q HN 0.438 nan 8.270 nan 0.000 0.429 30 S N 0.818 116.484 115.700 -0.057 0.000 2.368 30 S HA -0.117 4.354 4.470 0.001 0.000 0.224 30 S C 2.087 176.612 174.600 -0.124 0.000 1.029 30 S CA 0.906 59.064 58.200 -0.069 0.000 0.988 30 S CB -0.270 62.903 63.200 -0.044 0.000 0.838 30 S HN 0.483 nan 8.310 nan 0.000 0.462 31 A N 1.990 124.712 122.820 -0.163 0.000 1.858 31 A HA -0.103 4.218 4.320 0.001 0.000 0.216 31 A C 2.366 179.764 177.584 -0.310 0.000 1.190 31 A CA 2.049 53.956 52.037 -0.217 0.000 0.617 31 A CB -1.574 17.289 19.000 -0.228 0.000 0.827 31 A HN 0.467 nan 8.150 nan 0.000 0.443 32 T N 0.303 114.615 114.554 -0.403 0.000 2.635 32 T HA -0.269 4.082 4.350 0.001 0.000 0.267 32 T C 2.063 176.441 174.700 -0.537 0.000 1.040 32 T CA 1.941 63.724 62.100 -0.529 0.000 1.156 32 T CB -0.447 68.156 68.868 -0.441 0.000 0.863 32 T HN 0.613 nan 8.240 nan 0.000 0.430 33 Q N 0.640 120.261 119.800 -0.298 0.000 2.045 33 Q HA -0.121 4.220 4.340 0.001 0.000 0.206 33 Q C 2.748 178.692 176.000 -0.094 0.000 0.991 33 Q CA 1.620 57.340 55.803 -0.138 0.000 0.851 33 Q CB -0.424 28.283 28.738 -0.052 0.000 0.911 33 Q HN 0.599 nan 8.270 nan 0.000 0.418 34 A N 0.090 122.837 122.820 -0.121 0.000 1.972 34 A HA -0.132 4.189 4.320 0.001 0.000 0.219 34 A C 2.277 179.802 177.584 -0.097 0.000 1.169 34 A CA 1.270 53.252 52.037 -0.091 0.000 0.635 34 A CB -0.500 18.441 19.000 -0.100 0.000 0.810 34 A HN 0.223 nan 8.150 nan 0.000 0.446 35 V N -1.092 118.718 119.914 -0.174 0.000 2.283 35 V HA -0.214 3.907 4.120 0.001 0.000 0.243 35 V C 2.277 178.378 176.094 0.013 0.000 1.039 35 V CA 1.805 64.017 62.300 -0.147 0.000 1.016 35 V CB -0.962 30.692 31.823 -0.282 0.000 0.650 35 V HN 0.665 nan 8.190 nan 0.000 0.449 36 F N 0.900 120.789 119.950 -0.101 0.000 2.120 36 F HA -0.318 4.210 4.527 0.002 0.000 0.300 36 F C 2.813 178.578 175.800 -0.058 0.000 1.095 36 F CA 1.584 59.540 58.000 -0.072 0.000 1.249 36 F CB -0.265 38.709 39.000 -0.044 0.000 0.995 36 F HN 0.327 nan 8.300 nan 0.000 0.480 37 Q N 0.874 120.755 119.800 0.134 0.000 2.046 37 Q HA -0.204 4.137 4.340 0.001 0.000 0.200 37 Q C 1.840 177.852 176.000 0.020 0.000 0.975 37 Q CA 1.281 57.117 55.803 0.055 0.000 0.836 37 Q CB -0.600 28.156 28.738 0.029 0.000 0.896 37 Q HN 0.303 nan 8.270 nan 0.000 0.428 38 K N 0.676 121.077 120.400 0.002 0.000 2.059 38 K HA -0.227 4.094 4.320 0.001 0.000 0.212 38 K C 2.330 178.919 176.600 -0.019 0.000 1.050 38 K CA 1.971 58.247 56.287 -0.018 0.000 0.927 38 K CB -0.187 32.291 32.500 -0.037 0.000 0.714 38 K HN 0.210 nan 8.250 nan 0.000 0.447 39 R N 1.221 121.720 120.500 -0.002 0.000 2.066 39 R HA -0.171 4.170 4.340 0.001 0.000 0.232 39 R C 2.344 178.627 176.300 -0.028 0.000 1.131 39 R CA 1.908 57.998 56.100 -0.017 0.000 0.955 39 R CB -0.118 30.187 30.300 0.007 0.000 0.851 39 R HN 0.372 nan 8.270 nan 0.000 0.432 40 Q N -0.405 119.384 119.800 -0.019 0.000 2.170 40 Q HA -0.055 4.286 4.340 0.001 0.000 0.203 40 Q C 1.743 177.726 176.000 -0.028 0.000 0.976 40 Q CA 1.398 57.183 55.803 -0.030 0.000 0.858 40 Q CB -0.259 28.460 28.738 -0.032 0.000 0.907 40 Q HN 0.343 nan 8.270 nan 0.000 0.433 41 A N 1.101 123.907 122.820 -0.024 0.000 2.209 41 A HA 0.275 4.596 4.320 0.001 0.000 0.212 41 A C 1.701 179.261 177.584 -0.040 0.000 1.158 41 A CA 0.816 52.837 52.037 -0.027 0.000 0.742 41 A CB -0.659 18.327 19.000 -0.022 0.000 0.790 41 A HN 0.710 nan 8.150 nan 0.000 0.472 42 G N -0.749 108.018 108.800 -0.054 0.000 2.141 42 G HA2 -0.227 3.734 3.960 0.001 0.000 0.242 42 G HA3 -0.227 3.734 3.960 0.001 0.000 0.242 42 G C -0.207 174.626 174.900 -0.112 0.000 0.982 42 G CA 0.223 45.273 45.100 -0.084 0.000 0.662 42 G HN 0.648 nan 8.290 nan 0.000 0.527 43 E N 0.376 120.526 120.200 -0.083 0.000 1.893 43 E HA 0.428 4.779 4.350 0.001 0.000 0.269 43 E C 0.438 176.984 176.600 -0.089 0.000 1.129 43 E CA -0.300 56.054 56.400 -0.077 0.000 0.904 43 E CB 0.398 30.070 29.700 -0.046 0.000 1.077 43 E HN 0.388 nan 8.360 nan 0.000 0.407 44 L N 4.440 125.575 121.223 -0.147 0.000 2.449 44 L HA 0.224 4.565 4.340 0.001 0.000 0.255 44 L C -0.232 176.643 176.870 0.007 0.000 1.167 44 L CA -0.317 54.451 54.840 -0.119 0.000 1.090 44 L CB -0.638 41.237 42.059 -0.307 0.000 1.385 44 L HN 0.499 nan 8.230 nan 0.000 0.411 45 D N -1.967 118.437 120.400 0.006 0.000 2.614 45 D HA 0.202 4.842 4.640 0.001 0.000 0.264 45 D C 0.746 177.048 176.300 0.004 0.000 1.092 45 D CA -0.756 53.263 54.000 0.031 0.000 1.071 45 D CB 0.739 41.552 40.800 0.021 0.000 1.443 45 D HN 0.064 nan 8.370 nan 0.000 0.528 46 E N 0.128 120.329 120.200 0.001 0.000 2.396 46 E HA -0.232 4.118 4.350 0.001 0.000 0.200 46 E C 1.634 178.204 176.600 -0.049 0.000 1.023 46 E CA 1.199 57.586 56.400 -0.022 0.000 0.857 46 E CB -0.544 29.144 29.700 -0.019 0.000 0.775 46 E HN 0.451 nan 8.360 nan 0.000 0.525 47 S N 0.936 116.608 115.700 -0.046 0.000 2.402 47 S HA -0.090 4.381 4.470 0.001 0.000 0.229 47 S C 2.109 176.657 174.600 -0.087 0.000 1.021 47 S CA 0.964 59.127 58.200 -0.063 0.000 0.974 47 S CB -0.338 62.831 63.200 -0.051 0.000 0.800 47 S HN 0.150 nan 8.310 nan 0.000 0.484 48 V N 1.366 121.230 119.914 -0.083 0.000 2.548 48 V HA -0.038 4.083 4.120 0.001 0.000 0.249 48 V C 2.519 178.527 176.094 -0.143 0.000 1.055 48 V CA 1.226 63.460 62.300 -0.109 0.000 1.065 48 V CB -0.784 30.988 31.823 -0.085 0.000 0.681 48 V HN 0.363 nan 8.190 nan 0.000 0.462 49 L N 0.869 122.019 121.223 -0.122 0.000 1.994 49 L HA -0.180 4.161 4.340 0.001 0.000 0.208 49 L C 2.733 179.468 176.870 -0.225 0.000 1.071 49 L CA 2.361 57.106 54.840 -0.159 0.000 0.745 49 L CB -1.104 40.893 42.059 -0.104 0.000 0.892 49 L HN 0.636 nan 8.230 nan 0.000 0.431 50 E N -0.814 119.280 120.200 -0.178 0.000 2.085 50 E HA -0.247 4.104 4.350 0.001 0.000 0.194 50 E C 2.211 178.693 176.600 -0.196 0.000 0.994 50 E CA 1.577 57.868 56.400 -0.182 0.000 0.801 50 E CB -0.677 28.947 29.700 -0.126 0.000 0.743 50 E HN 0.470 nan 8.360 nan 0.000 0.453 51 L N 1.426 122.536 121.223 -0.187 0.000 2.095 51 L HA -0.085 4.256 4.340 0.001 0.000 0.204 51 L C 3.006 179.725 176.870 -0.253 0.000 1.080 51 L CA 1.595 56.317 54.840 -0.198 0.000 0.759 51 L CB -0.661 41.286 42.059 -0.187 0.000 0.914 51 L HN 0.373 nan 8.230 nan 0.000 0.439 52 T N -3.282 111.099 114.554 -0.288 0.000 2.833 52 T HA -0.170 4.181 4.350 0.001 0.000 0.269 52 T C 1.997 176.504 174.700 -0.321 0.000 1.054 52 T CA 1.294 63.182 62.100 -0.353 0.000 1.135 52 T CB -0.488 68.147 68.868 -0.388 0.000 0.869 52 T HN 0.411 nan 8.240 nan 0.000 0.466 53 S N 1.223 116.701 115.700 -0.371 0.000 2.453 53 S HA -0.090 4.381 4.470 0.001 0.000 0.231 53 S C 2.145 176.656 174.600 -0.148 0.000 1.005 53 S CA 0.484 58.387 58.200 -0.495 0.000 0.949 53 S CB -0.529 62.060 63.200 -1.018 0.000 0.774 53 S HN 0.666 nan 8.310 nan 0.000 0.510 54 Q N 0.729 120.441 119.800 -0.146 0.000 2.046 54 Q HA 0.070 4.411 4.340 0.001 0.000 0.200 54 Q C 2.176 178.164 176.000 -0.020 0.000 0.975 54 Q CA 1.758 57.523 55.803 -0.063 0.000 0.836 54 Q CB -0.384 28.298 28.738 -0.094 0.000 0.896 54 Q HN 0.633 nan 8.270 nan 0.000 0.428 55 I N 0.250 120.758 120.570 -0.103 0.000 2.333 55 I HA -0.226 3.944 4.170 0.001 0.000 0.246 55 I C 2.037 178.170 176.117 0.027 0.000 1.106 55 I CA 0.894 62.151 61.300 -0.072 0.000 1.411 55 I CB -0.143 37.672 38.000 -0.308 0.000 1.082 55 I HN 0.133 nan 8.210 nan 0.000 0.420 56 L N 0.631 121.812 121.223 -0.070 0.000 2.217 56 L HA -0.041 4.300 4.340 0.001 0.000 0.211 56 L C 2.633 179.550 176.870 0.078 0.000 1.107 56 L CA 1.177 55.972 54.840 -0.075 0.000 0.783 56 L CB -0.941 40.884 42.059 -0.391 0.000 0.919 56 L HN 0.305 nan 8.230 nan 0.000 0.442 57 G N -0.345 108.575 108.800 0.200 0.000 2.462 57 G HA2 -0.209 3.752 3.960 0.001 0.000 0.220 57 G HA3 -0.209 3.752 3.960 0.001 0.000 0.220 57 G C 1.628 176.591 174.900 0.105 0.000 1.121 57 G CA 0.889 46.102 45.100 0.189 0.000 0.758 57 G HN 0.478 nan 8.290 nan 0.000 0.559 58 A N -0.456 122.432 122.820 0.113 0.000 2.014 58 A HA 0.291 4.612 4.320 0.001 0.000 0.210 58 A C 1.013 178.653 177.584 0.094 0.000 1.188 58 A CA 0.566 52.662 52.037 0.098 0.000 0.731 58 A CB 0.184 19.256 19.000 0.120 0.000 0.858 58 A HN 0.309 nan 8.150 nan 0.000 0.464 59 N N -0.304 118.479 118.700 0.138 0.000 2.648 59 N HA 0.317 5.058 4.740 0.001 0.000 0.261 59 N C -2.701 172.894 175.510 0.142 0.000 1.138 59 N CA -1.853 51.278 53.050 0.135 0.000 0.804 59 N CB 1.767 40.357 38.487 0.172 0.000 1.237 59 N HN -0.113 nan 8.380 nan 0.000 0.532 60 P HA 0.103 nan 4.420 nan 0.000 0.245 60 P C -0.251 177.254 177.300 0.341 0.000 1.212 60 P CA 0.615 63.839 63.100 0.206 0.000 0.774 60 P CB 0.470 32.274 31.700 0.173 0.000 0.999 61 D N -0.911 119.639 120.400 0.250 0.000 2.325 61 D HA 0.045 4.686 4.640 0.001 0.000 0.225 61 D C 0.000 176.478 176.300 0.297 0.000 1.096 61 D CA -0.179 53.986 54.000 0.275 0.000 0.844 61 D CB -0.376 40.538 40.800 0.189 0.000 0.925 61 D HN 0.261 nan 8.370 nan 0.000 0.513 62 F N 1.503 121.497 119.950 0.074 0.000 2.619 62 F HA 0.243 4.771 4.527 0.001 0.000 0.350 62 F C 1.546 177.348 175.800 0.003 0.000 1.259 62 F CA -0.897 57.120 58.000 0.028 0.000 1.204 62 F CB 0.553 39.540 39.000 -0.021 0.000 1.556 62 F HN -0.075 nan 8.300 nan 0.000 0.650 63 A N 2.732 125.796 122.820 0.407 0.000 1.978 63 A HA -0.181 4.140 4.320 0.001 0.000 0.220 63 A C 2.124 179.833 177.584 0.209 0.000 1.170 63 A CA 2.234 54.484 52.037 0.356 0.000 0.636 63 A CB -0.771 18.404 19.000 0.291 0.000 0.810 63 A HN 0.648 nan 8.150 nan 0.000 0.448 64 T N 0.469 115.146 114.554 0.205 0.000 2.833 64 T HA -0.055 4.296 4.350 0.001 0.000 0.269 64 T C 1.675 176.292 174.700 -0.139 0.000 1.054 64 T CA 1.374 63.527 62.100 0.088 0.000 1.135 64 T CB -0.362 68.643 68.868 0.229 0.000 0.869 64 T HN 0.449 nan 8.240 nan 0.000 0.466 65 L N -1.172 119.785 121.223 -0.443 0.000 2.141 65 L HA -0.014 4.327 4.340 0.001 0.000 0.209 65 L C 2.309 178.900 176.870 -0.465 0.000 1.094 65 L CA 1.124 55.611 54.840 -0.588 0.000 0.763 65 L CB -0.649 40.873 42.059 -0.896 0.000 0.908 65 L HN 0.373 nan 8.230 nan 0.000 0.437 66 W N 0.859 122.033 121.300 -0.210 0.000 2.363 66 W HA -0.156 4.505 4.660 0.001 0.000 0.296 66 W C 2.517 178.883 176.519 -0.256 0.000 1.212 66 W CA 0.436 57.595 57.345 -0.310 0.000 1.260 66 W CB -0.485 28.813 29.460 -0.271 0.000 1.131 66 W HN 0.196 nan 8.180 nan 0.000 0.530 67 N N 0.073 118.799 118.700 0.043 0.000 2.069 67 N HA -0.173 4.568 4.740 0.001 0.000 0.191 67 N C 1.508 176.978 175.510 -0.066 0.000 1.031 67 N CA 1.899 54.936 53.050 -0.021 0.000 0.852 67 N CB -1.283 37.205 38.487 0.002 0.000 1.018 67 N HN 0.156 nan 8.380 nan 0.000 0.423 68 C N 1.039 120.289 119.300 -0.083 0.000 2.429 68 C HA -0.022 4.439 4.460 0.001 0.000 0.277 68 C C 2.612 177.556 174.990 -0.077 0.000 1.262 68 C CA 0.310 59.276 59.018 -0.086 0.000 1.733 68 C CB -0.949 26.719 27.740 -0.120 0.000 2.010 68 C HN 0.476 nan 8.230 nan 0.000 0.483 69 R N 0.431 120.876 120.500 -0.092 0.000 2.115 69 R HA -0.069 4.272 4.340 0.001 0.000 0.230 69 R C 2.417 178.746 176.300 0.049 0.000 1.111 69 R CA 1.037 57.132 56.100 -0.009 0.000 0.976 69 R CB -0.286 30.038 30.300 0.040 0.000 0.870 69 R HN 0.592 nan 8.270 nan 0.000 0.445 70 R N 0.828 121.285 120.500 -0.071 0.000 2.075 70 R HA -0.129 4.212 4.340 0.001 0.000 0.232 70 R C 2.056 178.343 176.300 -0.020 0.000 1.126 70 R CA 1.526 57.442 56.100 -0.306 0.000 0.963 70 R CB -0.098 29.696 30.300 -0.843 0.000 0.858 70 R HN 0.359 nan 8.270 nan 0.000 0.435 71 E N 0.073 120.267 120.200 -0.008 0.000 2.047 71 E HA -0.148 4.203 4.350 0.001 0.000 0.191 71 E C 2.077 178.740 176.600 0.105 0.000 0.987 71 E CA 1.379 57.812 56.400 0.054 0.000 0.799 71 E CB -0.071 29.637 29.700 0.013 0.000 0.752 71 E HN 0.053 nan 8.360 nan 0.000 0.449 72 V N 1.311 121.271 119.914 0.076 0.000 2.231 72 V HA -0.277 3.843 4.120 0.001 0.000 0.248 72 V C 2.238 178.444 176.094 0.187 0.000 1.054 72 V CA 1.487 63.855 62.300 0.115 0.000 1.015 72 V CB -0.497 31.362 31.823 0.060 0.000 0.638 72 V HN 0.228 nan 8.190 nan 0.000 0.444 73 L N -0.372 120.975 121.223 0.206 0.000 2.079 73 L HA -0.202 4.139 4.340 0.001 0.000 0.210 73 L C 2.531 179.556 176.870 0.260 0.000 1.081 73 L CA 1.719 56.712 54.840 0.254 0.000 0.752 73 L CB -1.326 40.962 42.059 0.382 0.000 0.896 73 L HN 0.440 nan 8.230 nan 0.000 0.433 74 Q N -1.694 118.293 119.800 0.313 0.000 2.050 74 Q HA -0.231 4.110 4.340 0.001 0.000 0.202 74 Q C 2.224 178.332 176.000 0.179 0.000 0.980 74 Q CA 1.506 57.468 55.803 0.265 0.000 0.840 74 Q CB -0.333 28.579 28.738 0.289 0.000 0.898 74 Q HN 0.577 nan 8.270 nan 0.000 0.424 75 H N 0.326 119.457 119.070 0.102 0.000 2.289 75 H HA -0.193 4.364 4.556 0.001 0.000 0.294 75 H C 1.909 177.270 175.328 0.055 0.000 1.095 75 H CA 1.644 57.732 56.048 0.066 0.000 1.256 75 H CB 0.176 29.969 29.762 0.051 0.000 1.359 75 H HN 0.147 nan 8.280 nan 0.000 0.487 76 L N 1.505 122.739 121.223 0.019 0.000 2.131 76 L HA -0.152 4.189 4.340 0.001 0.000 0.210 76 L C 2.425 179.265 176.870 -0.050 0.000 1.092 76 L CA 1.382 56.202 54.840 -0.033 0.000 0.759 76 L CB -0.660 41.431 42.059 0.054 0.000 0.903 76 L HN 0.384 nan 8.230 nan 0.000 0.435 77 E N -0.959 119.233 120.200 -0.013 0.000 2.171 77 E HA -0.228 4.122 4.350 0.001 0.000 0.197 77 E C 1.584 178.155 176.600 -0.048 0.000 0.997 77 E CA 1.665 58.054 56.400 -0.018 0.000 0.810 77 E CB -0.393 29.306 29.700 -0.001 0.000 0.738 77 E HN 0.613 nan 8.360 nan 0.000 0.467 78 T N -2.646 111.855 114.554 -0.088 0.000 3.163 78 T HA 0.188 4.538 4.350 0.001 0.000 0.252 78 T C 1.166 175.800 174.700 -0.110 0.000 1.056 78 T CA -0.082 61.965 62.100 -0.089 0.000 0.947 78 T CB 0.368 69.183 68.868 -0.088 0.000 1.016 78 T HN 0.047 nan 8.240 nan 0.000 0.554 79 E N -0.128 120.001 120.200 -0.119 0.000 2.467 79 E HA 0.193 4.544 4.350 0.001 0.000 0.213 79 E C -0.043 176.527 176.600 -0.051 0.000 0.823 79 E CA -0.208 56.136 56.400 -0.093 0.000 1.233 79 E CB 0.623 30.249 29.700 -0.124 0.000 1.233 79 E HN 0.148 nan 8.360 nan 0.000 0.585 80 K N 1.777 122.152 120.400 -0.043 0.000 2.143 80 K HA 0.228 4.549 4.320 0.001 0.000 0.272 80 K C 0.138 176.724 176.600 -0.023 0.000 1.001 80 K CA -0.231 56.042 56.287 -0.024 0.000 0.915 80 K CB 1.574 34.066 32.500 -0.013 0.000 1.047 80 K HN 0.061 nan 8.250 nan 0.000 0.458 81 S N 2.050 117.739 115.700 -0.018 0.000 2.572 81 S HA 0.039 4.510 4.470 0.001 0.000 0.267 81 S C -1.257 173.332 174.600 -0.018 0.000 1.361 81 S CA -0.709 57.481 58.200 -0.017 0.000 1.009 81 S CB 0.243 63.435 63.200 -0.014 0.000 0.888 81 S HN 0.423 nan 8.310 nan 0.000 0.553 82 P HA -0.173 nan 4.420 nan 0.000 0.218 82 P C 1.235 178.523 177.300 -0.021 0.000 1.148 82 P CA 1.492 64.578 63.100 -0.022 0.000 0.822 82 P CB -0.077 31.609 31.700 -0.023 0.000 0.784 83 E N 0.441 120.630 120.200 -0.018 0.000 2.318 83 E HA -0.117 4.234 4.350 0.001 0.000 0.193 83 E C 1.868 178.461 176.600 -0.012 0.000 0.998 83 E CA 0.491 56.882 56.400 -0.016 0.000 0.859 83 E CB -0.546 29.145 29.700 -0.015 0.000 0.812 83 E HN 0.265 nan 8.360 nan 0.000 0.492 84 E N 1.549 121.743 120.200 -0.011 0.000 2.152 84 E HA -0.114 4.237 4.350 0.001 0.000 0.192 84 E C 2.011 178.609 176.600 -0.003 0.000 0.983 84 E CA 1.441 57.837 56.400 -0.006 0.000 0.818 84 E CB 0.166 29.862 29.700 -0.007 0.000 0.758 84 E HN 0.354 nan 8.360 nan 0.000 0.467 85 S N -0.046 115.650 115.700 -0.007 0.000 2.414 85 S HA 0.052 4.523 4.470 0.001 0.000 0.227 85 S C 2.153 176.749 174.600 -0.007 0.000 1.022 85 S CA 0.528 58.726 58.200 -0.004 0.000 0.958 85 S CB 0.132 63.327 63.200 -0.009 0.000 0.797 85 S HN 0.308 nan 8.310 nan 0.000 0.493 86 A N 1.946 124.756 122.820 -0.016 0.000 1.972 86 A HA 0.338 4.659 4.320 0.001 0.000 0.219 86 A C 2.438 180.016 177.584 -0.010 0.000 1.169 86 A CA 1.539 53.564 52.037 -0.021 0.000 0.635 86 A CB -1.241 17.743 19.000 -0.027 0.000 0.810 86 A HN 0.778 nan 8.150 nan 0.000 0.446 87 A N -0.652 122.166 122.820 -0.003 0.000 1.929 87 A HA 0.103 4.424 4.320 0.001 0.000 0.216 87 A C 1.946 179.539 177.584 0.015 0.000 1.176 87 A CA 1.230 53.269 52.037 0.003 0.000 0.628 87 A CB -0.404 18.597 19.000 0.002 0.000 0.816 87 A HN 0.355 nan 8.150 nan 0.000 0.444 88 L N -0.143 121.091 121.223 0.020 0.000 2.042 88 L HA -0.149 4.191 4.340 0.001 0.000 0.210 88 L C 2.608 179.513 176.870 0.057 0.000 1.076 88 L CA 1.502 56.364 54.840 0.038 0.000 0.749 88 L CB -1.289 40.797 42.059 0.045 0.000 0.893 88 L HN 0.247 nan 8.230 nan 0.000 0.432 89 V N -0.520 119.418 119.914 0.039 0.000 2.323 89 V HA -0.262 3.859 4.120 0.001 0.000 0.244 89 V C 2.608 178.724 176.094 0.037 0.000 1.041 89 V CA 1.594 63.916 62.300 0.036 0.000 1.025 89 V CB -0.392 31.427 31.823 -0.008 0.000 0.656 89 V HN 0.414 nan 8.190 nan 0.000 0.451 90 K N 0.177 120.589 120.400 0.020 0.000 2.074 90 K HA -0.221 4.099 4.320 0.001 0.000 0.209 90 K C 2.154 178.785 176.600 0.053 0.000 1.048 90 K CA 1.754 58.055 56.287 0.023 0.000 0.926 90 K CB -0.378 32.129 32.500 0.011 0.000 0.713 90 K HN 0.441 nan 8.250 nan 0.000 0.444 91 A N 0.777 123.633 122.820 0.060 0.000 1.902 91 A HA -0.202 4.119 4.320 0.001 0.000 0.217 91 A C 1.985 179.658 177.584 0.149 0.000 1.181 91 A CA 1.897 53.983 52.037 0.081 0.000 0.623 91 A CB -0.600 18.430 19.000 0.051 0.000 0.818 91 A HN 0.452 nan 8.150 nan 0.000 0.443 92 E N 0.164 120.463 120.200 0.164 0.000 2.085 92 E HA -0.164 4.187 4.350 0.001 0.000 0.194 92 E C 1.868 178.604 176.600 0.226 0.000 0.994 92 E CA 1.363 57.919 56.400 0.260 0.000 0.801 92 E CB -0.361 29.485 29.700 0.244 0.000 0.743 92 E HN 0.619 nan 8.360 nan 0.000 0.453 93 L N -0.874 120.423 121.223 0.122 0.000 2.017 93 L HA -0.091 4.250 4.340 0.001 0.000 0.208 93 L C 2.475 179.384 176.870 0.066 0.000 1.073 93 L CA 1.338 56.217 54.840 0.064 0.000 0.745 93 L CB -0.786 41.292 42.059 0.031 0.000 0.894 93 L HN 0.318 nan 8.230 nan 0.000 0.432 94 G N -0.637 108.222 108.800 0.097 0.000 2.408 94 G HA2 -0.309 3.652 3.960 0.001 0.000 0.217 94 G HA3 -0.309 3.652 3.960 0.001 0.000 0.217 94 G C 1.464 176.445 174.900 0.135 0.000 1.150 94 G CA 0.329 45.484 45.100 0.092 0.000 0.776 94 G HN 0.269 nan 8.290 nan 0.000 0.542 95 F N 1.301 121.283 119.950 0.054 0.000 2.134 95 F HA 0.069 4.597 4.527 0.001 0.000 0.299 95 F C 2.365 178.224 175.800 0.099 0.000 1.097 95 F CA 0.885 58.933 58.000 0.080 0.000 1.264 95 F CB -0.340 38.725 39.000 0.110 0.000 1.001 95 F HN 0.050 nan 8.300 nan 0.000 0.479 96 L N 0.186 121.368 121.223 -0.068 0.000 2.042 96 L HA -0.243 4.098 4.340 0.001 0.000 0.210 96 L C 2.542 179.214 176.870 -0.330 0.000 1.076 96 L CA 2.092 56.771 54.840 -0.268 0.000 0.749 96 L CB -0.768 41.165 42.059 -0.210 0.000 0.893 96 L HN 0.240 nan 8.230 nan 0.000 0.432 97 E N -0.463 119.619 120.200 -0.197 0.000 2.106 97 E HA -0.179 4.172 4.350 0.001 0.000 0.192 97 E C 2.174 178.740 176.600 -0.056 0.000 0.984 97 E CA 1.289 57.612 56.400 -0.128 0.000 0.806 97 E CB 0.124 29.826 29.700 0.002 0.000 0.750 97 E HN 0.329 nan 8.360 nan 0.000 0.458 98 S N -0.207 115.449 115.700 -0.074 0.000 2.368 98 S HA -0.181 4.290 4.470 0.001 0.000 0.225 98 S C 2.048 176.577 174.600 -0.119 0.000 1.030 98 S CA 1.144 59.312 58.200 -0.052 0.000 0.999 98 S CB -0.365 62.835 63.200 0.000 0.000 0.844 98 S HN 0.482 nan 8.310 nan 0.000 0.459 99 C N 1.275 120.410 119.300 -0.275 0.000 2.440 99 C HA 0.096 4.556 4.460 0.001 0.000 0.278 99 C C 2.448 177.305 174.990 -0.222 0.000 1.295 99 C CA 0.291 59.159 59.018 -0.250 0.000 1.738 99 C CB -1.454 26.102 27.740 -0.306 0.000 1.987 99 C HN 0.531 nan 8.230 nan 0.000 0.492 100 L N 0.155 121.175 121.223 -0.338 0.000 2.141 100 L HA -0.131 4.210 4.340 0.001 0.000 0.209 100 L C 2.744 179.567 176.870 -0.078 0.000 1.094 100 L CA 1.331 55.891 54.840 -0.467 0.000 0.763 100 L CB -0.522 40.923 42.059 -1.023 0.000 0.908 100 L HN 0.331 nan 8.230 nan 0.000 0.437 101 R N -0.959 119.616 120.500 0.125 0.000 2.148 101 R HA -0.102 4.238 4.340 0.001 0.000 0.227 101 R C 2.152 178.486 176.300 0.056 0.000 1.103 101 R CA 0.763 56.959 56.100 0.160 0.000 0.983 101 R CB -0.186 30.158 30.300 0.074 0.000 0.874 101 R HN 0.167 nan 8.270 nan 0.000 0.451 102 V N 0.598 120.517 119.914 0.007 0.000 2.323 102 V HA -0.109 4.012 4.120 0.001 0.000 0.244 102 V C 0.553 176.648 176.094 0.001 0.000 1.041 102 V CA 1.158 63.460 62.300 0.004 0.000 1.025 102 V CB -0.345 31.478 31.823 -0.001 0.000 0.656 102 V HN 0.317 nan 8.190 nan 0.000 0.451 103 N N -0.415 118.266 118.700 -0.032 0.000 2.577 103 N HA 0.292 5.033 4.740 0.001 0.000 0.275 103 N C -2.566 172.870 175.510 -0.122 0.000 1.091 103 N CA -1.846 51.176 53.050 -0.046 0.000 0.843 103 N CB 2.043 40.518 38.487 -0.020 0.000 1.295 103 N HN -0.055 nan 8.380 nan 0.000 0.530 104 P HA 0.001 nan 4.420 nan 0.000 0.239 104 P C -0.246 176.941 177.300 -0.188 0.000 1.184 104 P CA 1.029 64.064 63.100 -0.108 0.000 0.760 104 P CB 0.030 31.805 31.700 0.126 0.000 0.884 105 K N -1.973 118.246 120.400 -0.301 0.000 2.758 105 K HA 0.278 4.599 4.320 0.001 0.000 0.208 105 K C 0.044 176.364 176.600 -0.467 0.000 1.091 105 K CA -0.418 55.426 56.287 -0.737 0.000 1.059 105 K CB 0.132 32.264 32.500 -0.612 0.000 0.801 105 K HN -0.285 nan 8.250 nan 0.000 0.470 106 S N 0.781 116.358 115.700 -0.205 0.000 2.430 106 S HA 0.103 4.574 4.470 0.001 0.000 0.282 106 S C 0.537 175.202 174.600 0.108 0.000 1.186 106 S CA -0.545 57.647 58.200 -0.013 0.000 1.060 106 S CB -0.006 63.180 63.200 -0.024 0.000 0.966 106 S HN 0.383 nan 8.310 nan 0.000 0.501 107 Y N 4.183 124.602 120.300 0.197 0.000 2.070 107 Y HA -0.050 4.501 4.550 0.002 0.000 0.280 107 Y C 2.610 178.600 175.900 0.149 0.000 1.148 107 Y CA 1.950 60.194 58.100 0.240 0.000 1.125 107 Y CB -0.885 37.679 38.460 0.174 0.000 0.975 107 Y HN 0.787 nan 8.280 nan 0.000 0.492 108 G N -1.306 107.661 108.800 0.277 0.000 2.450 108 G HA2 -0.247 3.714 3.960 0.001 0.000 0.220 108 G HA3 -0.247 3.714 3.960 0.001 0.000 0.220 108 G C 1.663 176.342 174.900 -0.368 0.000 1.130 108 G CA 1.670 46.834 45.100 0.107 0.000 0.760 108 G HN 0.366 nan 8.290 nan 0.000 0.557 109 T N -0.154 114.174 114.554 -0.377 0.000 2.777 109 T HA -0.133 4.218 4.350 0.001 0.000 0.266 109 T C 1.984 176.332 174.700 -0.587 0.000 1.040 109 T CA 1.180 62.818 62.100 -0.771 0.000 1.141 109 T CB -0.268 68.294 68.868 -0.510 0.000 0.868 109 T HN 0.540 nan 8.240 nan 0.000 0.444 110 W N 0.576 121.678 121.300 -0.330 0.000 2.381 110 W HA -0.035 4.626 4.660 0.001 0.000 0.301 110 W C 2.549 178.942 176.519 -0.211 0.000 1.205 110 W CA 0.934 58.092 57.345 -0.312 0.000 1.285 110 W CB -0.426 28.909 29.460 -0.208 0.000 1.133 110 W HN 0.383 nan 8.180 nan 0.000 0.521 111 H N -1.652 117.449 119.070 0.053 0.000 2.389 111 H HA -0.207 4.350 4.556 0.001 0.000 0.299 111 H C 2.033 177.369 175.328 0.013 0.000 1.081 111 H CA 2.355 58.423 56.048 0.033 0.000 1.345 111 H CB -0.457 29.345 29.762 0.066 0.000 1.393 111 H HN 0.168 nan 8.280 nan 0.000 0.520 112 H N 0.127 119.023 119.070 -0.290 0.000 2.352 112 H HA -0.073 4.484 4.556 0.001 0.000 0.299 112 H C 2.554 177.794 175.328 -0.146 0.000 1.097 112 H CA 1.986 57.836 56.048 -0.330 0.000 1.311 112 H CB -0.026 29.295 29.762 -0.734 0.000 1.377 112 H HN 0.258 nan 8.280 nan 0.000 0.504 113 R N -0.757 119.602 120.500 -0.234 0.000 2.115 113 R HA -0.076 4.265 4.340 0.001 0.000 0.226 113 R C 2.127 178.421 176.300 -0.010 0.000 1.100 113 R CA 1.291 57.292 56.100 -0.165 0.000 0.980 113 R CB -0.423 29.705 30.300 -0.287 0.000 0.875 113 R HN 0.415 nan 8.270 nan 0.000 0.445 114 C N -0.534 118.711 119.300 -0.092 0.000 2.453 114 C HA -0.096 4.365 4.460 0.001 0.000 0.277 114 C C 2.222 177.157 174.990 -0.092 0.000 1.262 114 C CA 0.246 59.100 59.018 -0.273 0.000 1.718 114 C CB -1.332 26.003 27.740 -0.676 0.000 2.031 114 C HN 0.748 nan 8.230 nan 0.000 0.480 115 W N 1.677 122.749 121.300 -0.380 0.000 2.317 115 W HA -0.232 4.429 4.660 0.001 0.000 0.318 115 W C 2.269 178.702 176.519 -0.144 0.000 1.227 115 W CA 1.827 59.011 57.345 -0.268 0.000 1.269 115 W CB -0.806 28.453 29.460 -0.335 0.000 1.155 115 W HN 0.258 nan 8.180 nan 0.000 0.484 116 L N 0.544 121.703 121.223 -0.106 0.000 1.989 116 L HA -0.232 4.109 4.340 0.001 0.000 0.211 116 L C 2.434 179.167 176.870 -0.229 0.000 1.071 116 L CA 1.965 56.617 54.840 -0.313 0.000 0.749 116 L CB -1.234 40.768 42.059 -0.096 0.000 0.890 116 L HN 0.089 nan 8.230 nan 0.000 0.431 117 L N -0.383 120.829 121.223 -0.019 0.000 2.131 117 L HA -0.120 4.221 4.340 0.001 0.000 0.210 117 L C 2.527 179.452 176.870 0.092 0.000 1.092 117 L CA 1.878 56.749 54.840 0.051 0.000 0.759 117 L CB -1.416 40.846 42.059 0.338 0.000 0.903 117 L HN 0.618 nan 8.230 nan 0.000 0.435 118 S N -0.331 115.466 115.700 0.161 0.000 2.607 118 S HA -0.080 4.391 4.470 0.001 0.000 0.224 118 S C 1.535 176.107 174.600 -0.047 0.000 0.969 118 S CA -0.063 58.231 58.200 0.158 0.000 0.927 118 S CB -0.249 63.116 63.200 0.275 0.000 0.772 118 S HN 0.615 nan 8.310 nan 0.000 0.533 119 R N 0.507 120.889 120.500 -0.196 0.000 2.508 119 R HA 0.407 4.747 4.340 0.001 0.000 0.300 119 R C -0.307 175.871 176.300 -0.203 0.000 0.970 119 R CA -0.388 55.560 56.100 -0.253 0.000 1.102 119 R CB -0.171 29.857 30.300 -0.454 0.000 1.246 119 R HN 0.322 nan 8.270 nan 0.000 0.539 120 L N 2.085 123.204 121.223 -0.174 0.000 2.326 120 L HA 0.320 4.660 4.340 0.001 0.000 0.278 120 L C -1.530 175.264 176.870 -0.126 0.000 1.092 120 L CA -2.120 52.623 54.840 -0.163 0.000 0.810 120 L CB 1.480 43.413 42.059 -0.210 0.000 1.153 120 L HN -0.122 nan 8.230 nan 0.000 0.439 121 P HA -0.084 nan 4.420 nan 0.000 0.217 121 P C 0.028 177.279 177.300 -0.083 0.000 1.151 121 P CA 1.147 64.201 63.100 -0.075 0.000 0.828 121 P CB 0.345 32.006 31.700 -0.065 0.000 0.788 122 E N -0.307 119.818 120.200 -0.124 0.000 2.502 122 E HA 0.247 4.598 4.350 0.001 0.000 0.261 122 E C -2.637 173.807 176.600 -0.260 0.000 0.974 122 E CA -1.685 54.624 56.400 -0.152 0.000 0.795 122 E CB 1.377 31.016 29.700 -0.101 0.000 1.385 122 E HN 0.048 nan 8.360 nan 0.000 0.400 123 P HA 0.272 nan 4.420 nan 0.000 0.281 123 P C -0.414 176.473 177.300 -0.688 0.000 1.249 123 P CA -0.647 62.026 63.100 -0.712 0.000 0.810 123 P CB 0.692 31.605 31.700 -1.312 0.000 1.008 124 N N 0.848 119.258 118.700 -0.484 0.000 2.521 124 N HA 0.067 4.808 4.740 0.001 0.000 0.236 124 N C 0.222 175.602 175.510 -0.217 0.000 1.067 124 N CA -0.275 52.607 53.050 -0.280 0.000 0.939 124 N CB -0.156 38.246 38.487 -0.142 0.000 1.201 124 N HN 0.440 nan 8.380 nan 0.000 0.511 125 W N 2.596 123.879 121.300 -0.027 0.000 2.467 125 W HA 0.014 4.674 4.660 0.001 0.000 0.275 125 W C 2.045 178.549 176.519 -0.025 0.000 1.239 125 W CA 0.369 57.690 57.345 -0.039 0.000 1.266 125 W CB 0.143 29.555 29.460 -0.080 0.000 1.112 125 W HN 0.665 nan 8.180 nan 0.000 0.576 126 A N 0.813 123.736 122.820 0.170 0.000 1.930 126 A HA -0.205 4.116 4.320 0.001 0.000 0.217 126 A C 1.937 179.578 177.584 0.095 0.000 1.175 126 A CA 1.678 53.777 52.037 0.102 0.000 0.627 126 A CB -0.858 18.179 19.000 0.061 0.000 0.815 126 A HN 0.331 nan 8.150 nan 0.000 0.443 127 R N -0.195 120.354 120.500 0.080 0.000 2.094 127 R HA -0.203 4.138 4.340 0.001 0.000 0.239 127 R C 1.818 178.203 176.300 0.141 0.000 1.137 127 R CA 1.979 58.127 56.100 0.080 0.000 0.943 127 R CB -0.272 30.055 30.300 0.046 0.000 0.850 127 R HN 0.474 nan 8.270 nan 0.000 0.433 128 E N 0.676 121.004 120.200 0.212 0.000 2.072 128 E HA -0.159 4.192 4.350 0.001 0.000 0.191 128 E C 2.186 178.950 176.600 0.273 0.000 0.985 128 E CA 1.054 57.658 56.400 0.340 0.000 0.801 128 E CB -0.210 29.802 29.700 0.519 0.000 0.750 128 E HN 0.447 nan 8.360 nan 0.000 0.452 129 L N 0.697 122.019 121.223 0.165 0.000 2.156 129 L HA -0.137 4.204 4.340 0.001 0.000 0.208 129 L C 2.494 179.396 176.870 0.054 0.000 1.095 129 L CA 0.864 55.735 54.840 0.051 0.000 0.770 129 L CB -0.215 41.821 42.059 -0.038 0.000 0.914 129 L HN 0.038 nan 8.230 nan 0.000 0.439 130 E N 0.750 120.998 120.200 0.080 0.000 2.072 130 E HA -0.226 4.125 4.350 0.001 0.000 0.191 130 E C 2.121 178.789 176.600 0.112 0.000 0.985 130 E CA 1.048 57.493 56.400 0.074 0.000 0.801 130 E CB -0.258 29.479 29.700 0.061 0.000 0.750 130 E HN 0.343 nan 8.360 nan 0.000 0.452 131 L N -0.229 121.093 121.223 0.165 0.000 2.013 131 L HA -0.293 4.048 4.340 0.001 0.000 0.212 131 L C 2.223 179.293 176.870 0.332 0.000 1.073 131 L CA 1.903 56.894 54.840 0.251 0.000 0.753 131 L CB -0.392 41.812 42.059 0.241 0.000 0.890 131 L HN 0.295 nan 8.230 nan 0.000 0.432 132 C N -0.117 119.350 119.300 0.277 0.000 2.393 132 C HA -0.238 4.223 4.460 0.001 0.000 0.276 132 C C 3.088 178.143 174.990 0.108 0.000 1.215 132 C CA 0.863 60.001 59.018 0.200 0.000 1.743 132 C CB -1.653 26.118 27.740 0.052 0.000 2.044 132 C HN 0.762 nan 8.230 nan 0.000 0.464 133 A N 0.173 123.027 122.820 0.057 0.000 1.948 133 A HA -0.237 4.084 4.320 0.001 0.000 0.220 133 A C 2.199 179.812 177.584 0.049 0.000 1.177 133 A CA 1.900 53.960 52.037 0.038 0.000 0.636 133 A CB -0.557 18.465 19.000 0.038 0.000 0.815 133 A HN 0.691 nan 8.150 nan 0.000 0.449 134 R N -1.781 118.755 120.500 0.059 0.000 2.070 134 R HA -0.075 4.266 4.340 0.001 0.000 0.232 134 R C 1.858 178.116 176.300 -0.071 0.000 1.138 134 R CA 1.817 57.896 56.100 -0.035 0.000 0.936 134 R CB -0.498 29.728 30.300 -0.123 0.000 0.839 134 R HN 0.541 nan 8.270 nan 0.000 0.429 135 F N 0.187 120.158 119.950 0.034 0.000 2.269 135 F HA -0.174 4.355 4.527 0.002 0.000 0.301 135 F C 1.937 177.764 175.800 0.045 0.000 1.082 135 F CA 0.606 58.636 58.000 0.049 0.000 1.360 135 F CB -0.021 39.047 39.000 0.113 0.000 1.041 135 F HN 0.034 nan 8.300 nan 0.000 0.512 136 L N -0.247 121.074 121.223 0.163 0.000 2.179 136 L HA -0.078 4.263 4.340 0.001 0.000 0.208 136 L C 2.225 179.148 176.870 0.087 0.000 1.096 136 L CA 1.479 56.386 54.840 0.112 0.000 0.779 136 L CB -1.096 40.984 42.059 0.035 0.000 0.922 136 L HN 0.116 nan 8.230 nan 0.000 0.443 137 E N -0.463 119.763 120.200 0.043 0.000 2.208 137 E HA -0.059 4.292 4.350 0.001 0.000 0.193 137 E C 2.153 178.751 176.600 -0.003 0.000 0.988 137 E CA 1.079 57.488 56.400 0.016 0.000 0.828 137 E CB 0.063 29.761 29.700 -0.003 0.000 0.763 137 E HN 0.399 nan 8.360 nan 0.000 0.478 138 A N 0.943 123.750 122.820 -0.022 0.000 1.970 138 A HA -0.082 4.239 4.320 0.001 0.000 0.216 138 A C 0.880 178.480 177.584 0.026 0.000 1.170 138 A CA 0.857 52.876 52.037 -0.030 0.000 0.645 138 A CB 0.279 19.226 19.000 -0.088 0.000 0.816 138 A HN 0.034 nan 8.150 nan 0.000 0.447 139 D N -1.114 119.331 120.400 0.075 0.000 2.375 139 D HA 0.187 4.827 4.640 0.001 0.000 0.241 139 D C 0.439 176.830 176.300 0.152 0.000 1.361 139 D CA -0.135 53.927 54.000 0.103 0.000 0.995 139 D CB 0.874 41.739 40.800 0.109 0.000 1.312 139 D HN 0.461 nan 8.370 nan 0.000 0.576 140 E N 2.081 122.379 120.200 0.163 0.000 2.418 140 E HA -0.047 4.304 4.350 0.001 0.000 0.197 140 E C 0.822 177.609 176.600 0.312 0.000 1.026 140 E CA 0.420 56.969 56.400 0.248 0.000 0.862 140 E CB 0.282 30.137 29.700 0.259 0.000 0.799 140 E HN 0.078 nan 8.360 nan 0.000 0.518 141 R N 1.015 121.660 120.500 0.242 0.000 2.359 141 R HA 0.126 4.467 4.340 0.001 0.000 0.231 141 R C 0.186 176.638 176.300 0.254 0.000 0.913 141 R CA -0.139 56.108 56.100 0.245 0.000 1.075 141 R CB -0.619 29.792 30.300 0.185 0.000 1.087 141 R HN 0.109 nan 8.270 nan 0.000 0.515 142 N N 1.985 120.813 118.700 0.213 0.000 2.400 142 N HA -0.084 4.657 4.740 0.001 0.000 0.267 142 N C 0.668 176.281 175.510 0.172 0.000 1.208 142 N CA -0.139 52.977 53.050 0.108 0.000 0.951 142 N CB 0.164 38.705 38.487 0.090 0.000 1.227 142 N HN 0.110 nan 8.380 nan 0.000 0.488 143 F N 2.318 122.365 119.950 0.161 0.000 2.558 143 F HA 0.148 4.676 4.527 0.001 0.000 0.298 143 F C 1.441 177.222 175.800 -0.032 0.000 1.119 143 F CA 0.372 58.439 58.000 0.112 0.000 1.451 143 F CB -0.494 38.485 39.000 -0.036 0.000 1.091 143 F HN 0.390 nan 8.300 nan 0.000 0.563 144 H N 0.093 118.771 119.070 -0.654 0.000 2.422 144 H HA -0.109 4.447 4.556 0.001 0.000 0.298 144 H C 1.979 176.780 175.328 -0.877 0.000 1.098 144 H CA 1.777 57.305 56.048 -0.866 0.000 1.315 144 H CB -0.728 28.287 29.762 -1.246 0.000 1.382 144 H HN 0.459 nan 8.280 nan 0.000 0.523 145 C N -1.763 117.297 119.300 -0.399 0.000 2.533 145 C HA 0.019 4.480 4.460 0.001 0.000 0.272 145 C C 2.083 176.954 174.990 -0.197 0.000 1.371 145 C CA -0.649 58.172 59.018 -0.329 0.000 1.758 145 C CB -1.281 26.421 27.740 -0.062 0.000 1.972 145 C HN 0.616 nan 8.230 nan 0.000 0.522 146 W N 1.839 123.076 121.300 -0.106 0.000 2.453 146 W HA -0.001 4.660 4.660 0.001 0.000 0.289 146 W C 2.022 178.444 176.519 -0.162 0.000 1.215 146 W CA 1.073 58.357 57.345 -0.101 0.000 1.297 146 W CB -0.414 29.002 29.460 -0.073 0.000 1.113 146 W HN 0.240 nan 8.180 nan 0.000 0.551 147 D N -1.245 119.178 120.400 0.039 0.000 2.144 147 D HA -0.223 4.418 4.640 0.001 0.000 0.200 147 D C 1.714 177.997 176.300 -0.028 0.000 0.978 147 D CA 1.190 55.176 54.000 -0.024 0.000 0.833 147 D CB -0.714 40.039 40.800 -0.077 0.000 0.961 147 D HN 0.141 nan 8.370 nan 0.000 0.470 148 Y N 1.519 121.677 120.300 -0.236 0.000 2.224 148 Y HA -0.126 4.425 4.550 0.001 0.000 0.289 148 Y C 2.373 178.290 175.900 0.028 0.000 1.146 148 Y CA 1.368 59.410 58.100 -0.098 0.000 1.182 148 Y CB -0.020 38.289 38.460 -0.251 0.000 0.983 148 Y HN -0.184 nan 8.280 nan 0.000 0.524 149 R N 0.119 120.554 120.500 -0.109 0.000 2.096 149 R HA -0.166 4.175 4.340 0.001 0.000 0.235 149 R C 2.267 178.458 176.300 -0.182 0.000 1.127 149 R CA 1.613 57.600 56.100 -0.188 0.000 0.968 149 R CB -0.143 30.018 30.300 -0.231 0.000 0.861 149 R HN 0.302 nan 8.270 nan 0.000 0.440 150 R N -0.803 119.628 120.500 -0.115 0.000 2.148 150 R HA -0.106 4.235 4.340 0.001 0.000 0.223 150 R C 2.041 178.283 176.300 -0.097 0.000 1.088 150 R CA 1.151 57.205 56.100 -0.076 0.000 0.985 150 R CB -0.264 30.012 30.300 -0.041 0.000 0.880 150 R HN 0.230 nan 8.270 nan 0.000 0.451 151 F N 1.094 120.887 119.950 -0.262 0.000 2.084 151 F HA -0.183 4.345 4.527 0.001 0.000 0.296 151 F C 1.926 177.461 175.800 -0.441 0.000 1.111 151 F CA 1.235 59.057 58.000 -0.296 0.000 1.224 151 F CB -0.458 38.356 39.000 -0.311 0.000 0.991 151 F HN -0.306 nan 8.300 nan 0.000 0.471 152 V N 1.021 120.482 119.914 -0.756 0.000 2.324 152 V HA -0.359 3.762 4.120 0.001 0.000 0.250 152 V C 2.797 178.320 176.094 -0.952 0.000 1.060 152 V CA 2.040 63.723 62.300 -1.029 0.000 1.042 152 V CB -1.809 29.656 31.823 -0.597 0.000 0.650 152 V HN 0.530 nan 8.190 nan 0.000 0.450 153 A N -0.289 122.202 122.820 -0.549 0.000 1.898 153 A HA 0.007 4.328 4.320 0.001 0.000 0.216 153 A C 2.372 179.720 177.584 -0.392 0.000 1.181 153 A CA 1.833 53.633 52.037 -0.395 0.000 0.620 153 A CB -0.659 18.234 19.000 -0.179 0.000 0.819 153 A HN 0.576 nan 8.150 nan 0.000 0.442 154 A N -1.422 121.175 122.820 -0.371 0.000 1.968 154 A HA -0.082 4.239 4.320 0.001 0.000 0.217 154 A C 2.130 179.487 177.584 -0.379 0.000 1.169 154 A CA 1.365 53.229 52.037 -0.288 0.000 0.638 154 A CB -0.297 18.591 19.000 -0.186 0.000 0.812 154 A HN 0.473 nan 8.150 nan 0.000 0.446 155 Q N -0.587 118.826 119.800 -0.645 0.000 2.062 155 Q HA 0.034 4.375 4.340 0.001 0.000 0.196 155 Q C 2.219 177.928 176.000 -0.486 0.000 0.967 155 Q CA 1.449 56.894 55.803 -0.596 0.000 0.832 155 Q CB -0.596 27.619 28.738 -0.871 0.000 0.899 155 Q HN 0.600 nan 8.270 nan 0.000 0.442 156 A N 0.139 122.460 122.820 -0.832 0.000 2.239 156 A HA 0.282 4.603 4.320 0.001 0.000 0.209 156 A C 1.436 178.841 177.584 -0.299 0.000 1.171 156 A CA 1.478 53.159 52.037 -0.594 0.000 0.768 156 A CB -0.298 18.112 19.000 -0.983 0.000 0.790 156 A HN 0.387 nan 8.150 nan 0.000 0.478 157 A N -2.642 120.018 122.820 -0.267 0.000 1.282 157 A HA -0.229 4.092 4.320 0.001 0.000 0.220 157 A C 1.128 178.609 177.584 -0.172 0.000 0.471 157 A CA 0.973 52.909 52.037 -0.168 0.000 1.097 157 A CB -2.596 16.341 19.000 -0.106 0.000 1.470 157 A HN 1.676 nan 8.150 nan 0.000 0.723 158 V N -0.471 119.341 119.914 -0.171 0.000 4.665 158 V HA 0.077 4.198 4.120 0.001 0.000 0.459 158 V C 0.777 176.813 176.094 -0.096 0.000 0.691 158 V CA 1.273 63.490 62.300 -0.138 0.000 1.763 158 V CB -2.134 29.589 31.823 -0.167 0.000 2.086 158 V HN 2.365 nan 8.190 nan 0.000 0.494 159 A N 6.890 129.670 122.820 -0.068 0.000 2.302 159 A HA 0.776 5.097 4.320 0.001 0.000 0.285 159 A C -0.958 176.599 177.584 -0.044 0.000 1.105 159 A CA -1.266 50.741 52.037 -0.050 0.000 0.816 159 A CB 0.713 19.691 19.000 -0.038 0.000 1.067 159 A HN 0.640 nan 8.150 nan 0.000 0.489 160 P HA 0.048 nan 4.420 nan 0.000 0.227 160 P C 1.323 178.586 177.300 -0.063 0.000 1.161 160 P CA 1.391 64.455 63.100 -0.061 0.000 0.788 160 P CB 0.308 31.968 31.700 -0.067 0.000 0.822 161 A N 0.266 123.069 122.820 -0.029 0.000 2.014 161 A HA -0.173 4.148 4.320 0.001 0.000 0.218 161 A C 2.183 179.767 177.584 0.001 0.000 1.163 161 A CA 1.230 53.268 52.037 0.001 0.000 0.652 161 A CB -1.071 17.954 19.000 0.043 0.000 0.808 161 A HN 0.215 nan 8.150 nan 0.000 0.449 162 E N -0.543 119.654 120.200 -0.005 0.000 2.338 162 E HA -0.196 4.155 4.350 0.001 0.000 0.197 162 E C 1.664 178.281 176.600 0.029 0.000 1.007 162 E CA 1.219 57.624 56.400 0.008 0.000 0.849 162 E CB 0.018 29.713 29.700 -0.008 0.000 0.774 162 E HN 0.595 nan 8.360 nan 0.000 0.506 163 E N -0.055 120.147 120.200 0.003 0.000 2.166 163 E HA -0.037 4.314 4.350 0.001 0.000 0.192 163 E C 1.835 178.429 176.600 -0.010 0.000 0.967 163 E CA 0.296 56.709 56.400 0.021 0.000 0.840 163 E CB -0.151 29.517 29.700 -0.054 0.000 0.795 163 E HN 0.274 nan 8.360 nan 0.000 0.470 164 L N 0.620 121.780 121.223 -0.106 0.000 2.042 164 L HA -0.118 4.223 4.340 0.001 0.000 0.210 164 L C 2.095 178.960 176.870 -0.009 0.000 1.076 164 L CA 2.215 57.001 54.840 -0.090 0.000 0.749 164 L CB -0.926 41.097 42.059 -0.060 0.000 0.893 164 L HN 0.157 nan 8.230 nan 0.000 0.432 165 A N -0.182 122.658 122.820 0.033 0.000 1.870 165 A HA -0.371 3.950 4.320 0.001 0.000 0.219 165 A C 2.277 179.910 177.584 0.082 0.000 1.224 165 A CA 2.460 54.530 52.037 0.055 0.000 0.650 165 A CB -1.584 17.457 19.000 0.067 0.000 0.836 165 A HN 0.612 nan 8.150 nan 0.000 0.454 166 F N 1.932 121.872 119.950 -0.016 0.000 2.063 166 F HA -0.278 4.250 4.527 0.001 0.000 0.298 166 F C 2.775 178.582 175.800 0.013 0.000 1.109 166 F CA 2.880 60.886 58.000 0.010 0.000 1.212 166 F CB -1.031 37.993 39.000 0.041 0.000 0.973 166 F HN 0.404 nan 8.300 nan 0.000 0.480 167 T N -2.115 112.332 114.554 -0.179 0.000 2.746 167 T HA -0.196 4.154 4.350 0.001 0.000 0.267 167 T C 1.704 176.227 174.700 -0.295 0.000 1.039 167 T CA 1.268 63.174 62.100 -0.322 0.000 1.142 167 T CB -0.882 67.860 68.868 -0.210 0.000 0.866 167 T HN 0.280 nan 8.240 nan 0.000 0.444 168 D N 2.595 122.890 120.400 -0.174 0.000 2.269 168 D HA -0.192 4.449 4.640 0.001 0.000 0.191 168 D C 2.481 178.697 176.300 -0.140 0.000 1.007 168 D CA 2.383 56.307 54.000 -0.127 0.000 0.855 168 D CB -0.967 39.800 40.800 -0.057 0.000 0.979 168 D HN 0.667 nan 8.370 nan 0.000 0.452 169 S N -0.133 115.493 115.700 -0.123 0.000 2.520 169 S HA -0.123 4.348 4.470 0.001 0.000 0.249 169 S C 1.794 176.299 174.600 -0.158 0.000 0.983 169 S CA 0.585 58.723 58.200 -0.104 0.000 0.958 169 S CB -0.524 62.648 63.200 -0.046 0.000 0.750 169 S HN 0.308 nan 8.310 nan 0.000 0.527 170 L N 0.135 121.208 121.223 -0.250 0.000 2.728 170 L HA 0.328 4.668 4.340 0.001 0.000 0.238 170 L C 0.899 177.633 176.870 -0.226 0.000 1.143 170 L CA -0.223 54.468 54.840 -0.247 0.000 0.937 170 L CB 0.023 41.867 42.059 -0.357 0.000 1.225 170 L HN 0.232 nan 8.230 nan 0.000 0.507 171 I N -0.822 119.627 120.570 -0.201 0.000 3.419 171 I HA -0.013 4.158 4.170 0.001 0.000 0.286 171 I C 2.180 178.248 176.117 -0.081 0.000 1.268 171 I CA 0.834 62.023 61.300 -0.184 0.000 1.414 171 I CB -1.776 36.142 38.000 -0.136 0.000 1.074 171 I HN 0.284 nan 8.210 nan 0.000 0.457 172 T N -0.282 114.236 114.554 -0.059 0.000 3.311 172 T HA 0.005 4.356 4.350 0.001 0.000 0.202 172 T C 1.745 176.450 174.700 0.009 0.000 0.880 172 T CA 0.126 62.215 62.100 -0.018 0.000 2.029 172 T CB -0.119 68.739 68.868 -0.016 0.000 1.693 172 T HN 0.113 nan 8.240 nan 0.000 0.438 173 R N 1.638 122.146 120.500 0.013 0.000 2.334 173 R HA 0.140 4.481 4.340 0.001 0.000 0.220 173 R C 1.712 178.043 176.300 0.052 0.000 0.917 173 R CA -0.196 55.925 56.100 0.035 0.000 1.073 173 R CB -0.371 29.944 30.300 0.024 0.000 1.056 173 R HN 0.519 nan 8.270 nan 0.000 0.506 174 N N 0.227 118.954 118.700 0.044 0.000 2.050 174 N HA -0.116 4.625 4.740 0.001 0.000 0.178 174 N C -0.280 175.358 175.510 0.213 0.000 1.104 174 N CA 1.141 54.237 53.050 0.078 0.000 0.943 174 N CB 0.134 38.625 38.487 0.007 0.000 1.030 174 N HN 0.010 nan 8.380 nan 0.000 0.437 175 F N -1.535 118.395 119.950 -0.033 0.000 3.032 175 F HA 0.108 4.636 4.527 0.002 0.000 0.331 175 F C 0.687 176.464 175.800 -0.039 0.000 1.125 175 F CA 0.070 58.066 58.000 -0.006 0.000 0.873 175 F CB -0.042 38.974 39.000 0.026 0.000 1.374 175 F HN 0.453 nan 8.300 nan 0.000 0.452 176 S N 2.493 117.721 115.700 -0.787 0.000 2.585 176 S HA 0.140 4.611 4.470 0.001 0.000 0.233 176 S C 0.150 174.546 174.600 -0.342 0.000 1.478 176 S CA 1.162 58.925 58.200 -0.729 0.000 1.761 176 S CB -0.414 61.845 63.200 -1.569 0.000 0.471 176 S HN 1.751 nan 8.310 nan 0.000 0.368 177 N N -1.916 116.666 118.700 -0.196 0.000 4.199 177 N HA -0.182 4.559 4.740 0.001 0.000 0.280 177 N C -0.390 175.095 175.510 -0.042 0.000 2.203 177 N CA 0.524 53.547 53.050 -0.045 0.000 2.718 177 N CB -1.609 36.890 38.487 0.019 0.000 0.382 177 N HN 0.665 nan 8.380 nan 0.000 0.534 178 Y N 2.951 123.220 120.300 -0.053 0.000 2.298 178 Y HA -0.234 4.317 4.550 0.001 0.000 0.287 178 Y C 2.433 178.225 175.900 -0.180 0.000 1.164 178 Y CA 2.887 60.951 58.100 -0.061 0.000 1.229 178 Y CB 0.093 38.489 38.460 -0.106 0.000 0.977 178 Y HN 0.711 nan 8.280 nan 0.000 0.538 179 S N -1.670 113.901 115.700 -0.214 0.000 2.446 179 S HA -0.117 4.354 4.470 0.001 0.000 0.225 179 S C 2.102 176.127 174.600 -0.958 0.000 1.016 179 S CA 0.916 58.724 58.200 -0.654 0.000 0.943 179 S CB -0.693 61.984 63.200 -0.872 0.000 0.786 179 S HN 0.495 nan 8.310 nan 0.000 0.508 180 S N -0.011 115.209 115.700 -0.799 0.000 2.388 180 S HA 0.050 4.521 4.470 0.001 0.000 0.223 180 S C 1.613 175.850 174.600 -0.605 0.000 1.034 180 S CA 0.251 58.028 58.200 -0.704 0.000 0.963 180 S CB -1.203 61.657 63.200 -0.566 0.000 0.827 180 S HN 0.752 nan 8.310 nan 0.000 0.481 181 W N 1.541 122.563 121.300 -0.463 0.000 2.338 181 W HA -0.063 4.598 4.660 0.001 0.000 0.304 181 W C 2.714 178.962 176.519 -0.452 0.000 1.212 181 W CA 1.124 58.059 57.345 -0.683 0.000 1.264 181 W CB -0.748 28.223 29.460 -0.814 0.000 1.142 181 W HN 0.530 nan 8.180 nan 0.000 0.512 182 H N -1.340 117.581 119.070 -0.248 0.000 2.319 182 H HA -0.324 4.233 4.556 0.001 0.000 0.297 182 H C 2.123 177.409 175.328 -0.070 0.000 1.097 182 H CA 2.414 58.346 56.048 -0.194 0.000 1.285 182 H CB -0.844 28.794 29.762 -0.207 0.000 1.368 182 H HN 0.111 nan 8.280 nan 0.000 0.495 183 Y N 1.529 121.620 120.300 -0.348 0.000 2.181 183 Y HA -0.141 4.410 4.550 0.001 0.000 0.288 183 Y C 2.454 178.244 175.900 -0.183 0.000 1.146 183 Y CA 1.780 59.725 58.100 -0.258 0.000 1.164 183 Y CB -0.432 37.948 38.460 -0.133 0.000 0.982 183 Y HN 0.209 nan 8.280 nan 0.000 0.515 184 R N -0.487 119.958 120.500 -0.091 0.000 2.120 184 R HA -0.123 4.218 4.340 0.001 0.000 0.234 184 R C 2.535 178.886 176.300 0.085 0.000 1.123 184 R CA 1.415 57.488 56.100 -0.044 0.000 0.975 184 R CB -0.549 29.744 30.300 -0.012 0.000 0.866 184 R HN 0.404 nan 8.270 nan 0.000 0.446 185 S N -0.495 115.240 115.700 0.058 0.000 2.469 185 S HA -0.124 4.347 4.470 0.001 0.000 0.238 185 S C 1.829 176.347 174.600 -0.136 0.000 0.998 185 S CA 0.967 59.124 58.200 -0.072 0.000 0.957 185 S CB -0.243 62.618 63.200 -0.564 0.000 0.764 185 S HN 0.375 nan 8.310 nan 0.000 0.514 186 C N 0.182 119.395 119.300 -0.144 0.000 2.525 186 C HA 0.437 4.898 4.460 0.001 0.000 0.291 186 C C 2.511 177.470 174.990 -0.052 0.000 1.351 186 C CA -0.252 58.712 59.018 -0.091 0.000 1.771 186 C CB -1.272 26.422 27.740 -0.077 0.000 2.177 186 C HN 0.548 nan 8.230 nan 0.000 0.510 187 L N 0.795 121.956 121.223 -0.104 0.000 1.988 187 L HA -0.117 4.224 4.340 0.001 0.000 0.207 187 L C 2.506 179.282 176.870 -0.157 0.000 1.071 187 L CA 1.450 56.193 54.840 -0.162 0.000 0.744 187 L CB -0.883 41.006 42.059 -0.284 0.000 0.893 187 L HN 0.308 nan 8.230 nan 0.000 0.433 188 L N -0.269 120.903 121.223 -0.086 0.000 1.980 188 L HA -0.256 4.085 4.340 0.001 0.000 0.232 188 L C -0.160 176.622 176.870 -0.146 0.000 1.092 188 L CA 1.881 56.654 54.840 -0.111 0.000 0.808 188 L CB -2.274 39.885 42.059 0.165 0.000 0.908 188 L HN 0.200 nan 8.230 nan 0.000 0.442 189 P HA -0.213 nan 4.420 nan 0.000 0.219 189 P C 1.397 178.682 177.300 -0.025 0.000 1.144 189 P CA 1.434 64.556 63.100 0.036 0.000 0.806 189 P CB -0.064 31.716 31.700 0.133 0.000 0.771 190 Q N -1.519 118.235 119.800 -0.077 0.000 2.187 190 Q HA 0.030 4.371 4.340 0.001 0.000 0.199 190 Q C 1.948 177.878 176.000 -0.115 0.000 0.957 190 Q CA 0.886 56.643 55.803 -0.077 0.000 0.857 190 Q CB -0.221 28.471 28.738 -0.077 0.000 0.929 190 Q HN 0.321 nan 8.270 nan 0.000 0.453 191 L N -0.975 120.091 121.223 -0.261 0.000 2.408 191 L HA 0.010 4.351 4.340 0.001 0.000 0.215 191 L C 1.395 178.151 176.870 -0.190 0.000 1.081 191 L CA 0.303 54.938 54.840 -0.342 0.000 0.840 191 L CB 0.207 41.862 42.059 -0.672 0.000 1.002 191 L HN 0.283 nan 8.230 nan 0.000 0.468 192 H N -2.217 116.863 119.070 0.016 0.000 2.027 192 H HA 0.281 4.838 4.556 0.001 0.000 0.209 192 H C -1.659 173.676 175.328 0.013 0.000 0.903 192 H CA -0.487 55.569 56.048 0.013 0.000 1.078 192 H CB -1.710 28.061 29.762 0.015 0.000 1.248 192 H HN -0.014 nan 8.280 nan 0.000 0.432 193 P HA 0.074 nan 4.420 nan 0.000 0.265 193 P C -0.405 176.923 177.300 0.047 0.000 1.193 193 P CA 0.403 63.548 63.100 0.076 0.000 0.765 193 P CB 0.309 32.043 31.700 0.056 0.000 0.823 194 Q N 2.309 122.132 119.800 0.038 0.000 3.064 194 Q HA 0.384 4.725 4.340 0.001 0.000 0.258 194 Q C -2.501 173.512 176.000 0.022 0.000 0.972 194 Q CA -1.948 53.872 55.803 0.028 0.000 0.761 194 Q CB 0.208 28.962 28.738 0.027 0.000 1.281 194 Q HN 0.232 nan 8.270 nan 0.000 0.455 195 P HA -0.025 nan 4.420 nan 0.000 0.263 195 P C -0.146 177.168 177.300 0.023 0.000 1.345 195 P CA 0.293 63.406 63.100 0.021 0.000 1.119 195 P CB 0.535 32.251 31.700 0.027 0.000 1.363 196 D N 1.273 121.685 120.400 0.019 0.000 2.106 196 D HA -0.106 4.535 4.640 0.001 0.000 0.203 196 D C 1.088 177.402 176.300 0.023 0.000 0.977 196 D CA 2.012 56.023 54.000 0.019 0.000 0.844 196 D CB 0.724 41.533 40.800 0.014 0.000 1.002 196 D HN 0.409 nan 8.370 nan 0.000 0.461 197 S N -2.322 113.390 115.700 0.021 0.000 7.230 197 S HA 0.050 4.520 4.470 0.001 0.000 0.054 197 S C 1.865 176.475 174.600 0.017 0.000 1.493 197 S CA 0.840 59.056 58.200 0.025 0.000 1.010 197 S CB -0.777 62.440 63.200 0.028 0.000 1.130 197 S HN 0.186 nan 8.310 nan 0.000 0.543 198 G N 4.657 113.465 108.800 0.012 0.000 2.721 198 G HA2 0.065 4.026 3.960 0.001 0.000 0.218 198 G HA3 0.065 4.026 3.960 0.001 0.000 0.218 198 G C -1.555 173.344 174.900 -0.001 0.000 1.265 198 G CA 1.638 46.741 45.100 0.005 0.000 0.796 198 G HN 0.730 nan 8.290 nan 0.000 0.620 199 P HA 0.205 nan 4.420 nan 0.000 0.279 199 P C -0.974 176.317 177.300 -0.014 0.000 1.239 199 P CA 0.035 63.128 63.100 -0.011 0.000 0.789 199 P CB 1.410 33.103 31.700 -0.012 0.000 0.933 200 Q N 2.007 121.794 119.800 -0.022 0.000 2.700 200 Q HA 0.505 4.846 4.340 0.001 0.000 0.249 200 Q C -0.567 175.406 176.000 -0.045 0.000 1.033 200 Q CA -0.494 55.294 55.803 -0.025 0.000 0.804 200 Q CB 0.169 28.895 28.738 -0.019 0.000 1.164 200 Q HN 0.644 nan 8.270 nan 0.000 0.500 201 G N 1.173 109.938 108.800 -0.058 0.000 2.537 201 G HA2 0.262 4.223 3.960 0.001 0.000 0.323 201 G HA3 0.262 4.223 3.960 0.001 0.000 0.323 201 G C -0.000 174.822 174.900 -0.129 0.000 1.207 201 G CA -0.555 44.488 45.100 -0.095 0.000 0.976 201 G HN 0.567 nan 8.290 nan 0.000 0.487 202 R N -1.030 119.339 120.500 -0.218 0.000 2.073 202 R HA 0.227 4.568 4.340 0.001 0.000 0.229 202 R C 0.722 176.885 176.300 -0.227 0.000 1.120 202 R CA 0.873 56.783 56.100 -0.316 0.000 0.967 202 R CB -0.220 29.694 30.300 -0.643 0.000 0.862 202 R HN 0.368 nan 8.270 nan 0.000 0.436 203 L N 0.839 121.951 121.223 -0.186 0.000 2.362 203 L HA 0.451 4.792 4.340 0.001 0.000 0.271 203 L C -2.250 174.592 176.870 -0.047 0.000 1.002 203 L CA -2.650 52.141 54.840 -0.082 0.000 0.818 203 L CB 2.103 44.130 42.059 -0.054 0.000 1.298 203 L HN -0.109 nan 8.230 nan 0.000 0.420 204 P HA -0.137 nan 4.420 nan 0.000 0.252 204 P C 0.619 177.906 177.300 -0.022 0.000 1.147 204 P CA 0.716 63.813 63.100 -0.006 0.000 0.779 204 P CB 0.336 32.046 31.700 0.017 0.000 0.733 205 E N 4.116 124.299 120.200 -0.029 0.000 2.172 205 E HA -0.428 3.923 4.350 0.001 0.000 0.213 205 E C 1.211 177.795 176.600 -0.026 0.000 1.051 205 E CA 2.472 58.853 56.400 -0.032 0.000 0.860 205 E CB -0.172 29.512 29.700 -0.026 0.000 0.755 205 E HN 0.453 nan 8.360 nan 0.000 0.462 206 N N 0.034 118.719 118.700 -0.025 0.000 2.058 206 N HA -0.243 4.497 4.740 0.001 0.000 0.200 206 N C 1.739 177.231 175.510 -0.030 0.000 1.033 206 N CA 1.841 54.874 53.050 -0.029 0.000 0.880 206 N CB -0.796 37.669 38.487 -0.038 0.000 1.069 206 N HN 0.151 nan 8.380 nan 0.000 0.461 207 V N -0.112 119.783 119.914 -0.031 0.000 2.871 207 V HA 0.058 4.179 4.120 0.001 0.000 0.256 207 V C 1.701 177.803 176.094 0.013 0.000 1.082 207 V CA 0.686 62.981 62.300 -0.007 0.000 1.105 207 V CB -0.277 31.552 31.823 0.009 0.000 0.713 207 V HN 0.288 nan 8.190 nan 0.000 0.473 208 L N -0.306 120.908 121.223 -0.014 0.000 2.095 208 L HA 0.046 4.387 4.340 0.001 0.000 0.204 208 L C 2.101 178.956 176.870 -0.024 0.000 1.080 208 L CA 1.805 56.622 54.840 -0.038 0.000 0.759 208 L CB -0.551 41.452 42.059 -0.092 0.000 0.914 208 L HN 0.286 nan 8.230 nan 0.000 0.439 209 L N 0.236 121.449 121.223 -0.018 0.000 1.965 209 L HA -0.344 3.997 4.340 0.001 0.000 0.226 209 L C 2.663 179.539 176.870 0.010 0.000 1.083 209 L CA 2.629 57.467 54.840 -0.003 0.000 0.790 209 L CB -1.271 40.786 42.059 -0.004 0.000 0.898 209 L HN 0.375 nan 8.230 nan 0.000 0.439 210 K N -0.494 119.914 120.400 0.014 0.000 2.097 210 K HA -0.166 4.155 4.320 0.001 0.000 0.206 210 K C 1.891 178.524 176.600 0.055 0.000 1.049 210 K CA 1.427 57.729 56.287 0.026 0.000 0.933 210 K CB -0.309 32.203 32.500 0.019 0.000 0.717 210 K HN 0.183 nan 8.250 nan 0.000 0.442 211 E N 0.958 121.208 120.200 0.083 0.000 2.338 211 E HA -0.056 4.295 4.350 0.001 0.000 0.197 211 E C 1.898 178.566 176.600 0.113 0.000 1.007 211 E CA 0.600 57.094 56.400 0.157 0.000 0.849 211 E CB -0.018 29.817 29.700 0.223 0.000 0.774 211 E HN 0.446 nan 8.360 nan 0.000 0.506 212 L N 0.405 121.660 121.223 0.052 0.000 2.056 212 L HA -0.150 4.191 4.340 0.001 0.000 0.207 212 L C 2.181 179.036 176.870 -0.026 0.000 1.078 212 L CA 1.127 55.998 54.840 0.053 0.000 0.749 212 L CB -0.285 41.814 42.059 0.067 0.000 0.901 212 L HN 0.066 nan 8.230 nan 0.000 0.433 213 E N 0.028 120.212 120.200 -0.027 0.000 2.216 213 E HA -0.131 4.220 4.350 0.001 0.000 0.192 213 E C 2.327 178.869 176.600 -0.096 0.000 0.988 213 E CA 0.616 56.979 56.400 -0.062 0.000 0.834 213 E CB 0.027 29.719 29.700 -0.013 0.000 0.772 213 E HN 0.461 nan 8.360 nan 0.000 0.479 214 L N 0.956 122.164 121.223 -0.026 0.000 1.961 214 L HA -0.161 4.179 4.340 0.001 0.000 0.210 214 L C 2.711 179.536 176.870 -0.076 0.000 1.072 214 L CA 1.415 56.277 54.840 0.037 0.000 0.749 214 L CB -0.637 41.540 42.059 0.198 0.000 0.889 214 L HN 0.149 nan 8.230 nan 0.000 0.432 215 V N -1.788 118.005 119.914 -0.203 0.000 3.241 215 V HA -0.218 3.903 4.120 0.001 0.000 0.269 215 V C 2.038 177.595 176.094 -0.895 0.000 1.151 215 V CA 1.545 63.535 62.300 -0.516 0.000 1.158 215 V CB -0.398 30.998 31.823 -0.711 0.000 0.764 215 V HN 0.600 nan 8.190 nan 0.000 0.508 216 Q N 1.352 120.619 119.800 -0.888 0.000 1.946 216 Q HA -0.208 4.133 4.340 0.001 0.000 0.199 216 Q C 2.110 177.548 176.000 -0.936 0.000 0.979 216 Q CA 2.358 57.328 55.803 -1.388 0.000 0.834 216 Q CB -0.279 28.070 28.738 -0.649 0.000 0.899 216 Q HN 0.671 nan 8.270 nan 0.000 0.431 217 N N 0.941 119.427 118.700 -0.357 0.000 2.111 217 N HA -0.275 4.466 4.740 0.001 0.000 0.197 217 N C 1.585 176.978 175.510 -0.195 0.000 1.011 217 N CA 1.968 54.928 53.050 -0.151 0.000 0.880 217 N CB -0.639 37.811 38.487 -0.061 0.000 1.031 217 N HN 0.465 nan 8.380 nan 0.000 0.444 218 A N 0.485 123.152 122.820 -0.254 0.000 1.898 218 A HA -0.081 4.240 4.320 0.001 0.000 0.216 218 A C 1.812 179.185 177.584 -0.351 0.000 1.181 218 A CA 1.516 53.435 52.037 -0.197 0.000 0.620 218 A CB -0.914 18.073 19.000 -0.022 0.000 0.819 218 A HN 0.466 nan 8.150 nan 0.000 0.442 219 F N -2.955 116.596 119.950 -0.665 0.000 2.743 219 F HA 0.295 4.823 4.527 0.002 0.000 0.297 219 F C 1.629 177.060 175.800 -0.615 0.000 1.131 219 F CA -0.375 57.035 58.000 -0.982 0.000 1.426 219 F CB -0.952 36.817 39.000 -2.052 0.000 1.116 219 F HN 0.149 nan 8.300 nan 0.000 0.583 220 F N 0.809 120.622 119.950 -0.230 0.000 2.163 220 F HA -0.097 4.430 4.527 0.001 0.000 0.297 220 F C 2.431 178.221 175.800 -0.017 0.000 1.094 220 F CA 1.164 59.127 58.000 -0.061 0.000 1.290 220 F CB -0.591 38.346 39.000 -0.106 0.000 1.017 220 F HN -0.054 nan 8.300 nan 0.000 0.483 221 T N -1.679 112.946 114.554 0.117 0.000 2.904 221 T HA -0.141 4.209 4.350 0.001 0.000 0.267 221 T C 0.006 174.767 174.700 0.101 0.000 1.059 221 T CA 1.231 63.387 62.100 0.094 0.000 1.137 221 T CB -0.249 68.653 68.868 0.056 0.000 0.879 221 T HN 0.044 nan 8.240 nan 0.000 0.467 222 D N -0.029 120.415 120.400 0.073 0.000 2.328 222 D HA 0.237 4.878 4.640 0.001 0.000 0.243 222 D C -2.214 174.154 176.300 0.113 0.000 1.324 222 D CA -1.901 52.164 54.000 0.109 0.000 0.966 222 D CB 1.464 42.330 40.800 0.109 0.000 1.324 222 D HN -0.102 nan 8.370 nan 0.000 0.549 223 P HA -0.064 nan 4.420 nan 0.000 0.218 223 P C 0.536 178.156 177.300 0.535 0.000 1.149 223 P CA 0.548 63.900 63.100 0.420 0.000 0.817 223 P CB 0.287 32.257 31.700 0.450 0.000 0.785 224 N N 0.996 119.898 118.700 0.338 0.000 2.802 224 N HA 0.039 4.780 4.740 0.001 0.000 0.288 224 N C -0.665 174.985 175.510 0.234 0.000 1.268 224 N CA 0.356 53.593 53.050 0.312 0.000 1.035 224 N CB -0.711 37.924 38.487 0.246 0.000 1.353 224 N HN 0.071 nan 8.380 nan 0.000 0.522 225 D N -0.398 120.109 120.400 0.180 0.000 2.756 225 D HA 0.163 4.804 4.640 0.001 0.000 0.226 225 D C 0.377 176.651 176.300 -0.044 0.000 1.186 225 D CA -0.246 53.784 54.000 0.049 0.000 0.845 225 D CB 1.353 42.125 40.800 -0.047 0.000 1.610 225 D HN 0.228 nan 8.370 nan 0.000 0.465 226 Q N 1.013 120.752 119.800 -0.101 0.000 2.369 226 Q HA 0.080 4.421 4.340 0.001 0.000 0.254 226 Q C 1.466 177.481 176.000 0.025 0.000 0.858 226 Q CA 0.172 55.803 55.803 -0.287 0.000 0.961 226 Q CB -0.049 28.389 28.738 -0.499 0.000 1.119 226 Q HN 0.321 nan 8.270 nan 0.000 0.538 227 S N 1.662 117.431 115.700 0.115 0.000 2.387 227 S HA -0.193 4.278 4.470 0.001 0.000 0.230 227 S C 2.106 176.668 174.600 -0.064 0.000 1.035 227 S CA 1.246 59.524 58.200 0.131 0.000 1.014 227 S CB -0.449 62.853 63.200 0.171 0.000 0.836 227 S HN 0.498 nan 8.310 nan 0.000 0.466 228 A N 0.744 123.455 122.820 -0.182 0.000 1.873 228 A HA 0.075 4.396 4.320 0.001 0.000 0.215 228 A C 1.942 179.408 177.584 -0.197 0.000 1.186 228 A CA 1.134 52.908 52.037 -0.437 0.000 0.616 228 A CB -1.329 17.431 19.000 -0.399 0.000 0.823 228 A HN 0.775 nan 8.150 nan 0.000 0.442 229 W N -1.392 119.796 121.300 -0.186 0.000 2.358 229 W HA -0.091 4.570 4.660 0.002 0.000 0.303 229 W C 2.039 178.493 176.519 -0.108 0.000 1.208 229 W CA 0.579 57.770 57.345 -0.258 0.000 1.274 229 W CB -0.538 28.661 29.460 -0.435 0.000 1.138 229 W HN 0.335 nan 8.180 nan 0.000 0.515 230 F N -1.245 118.773 119.950 0.113 0.000 2.095 230 F HA -0.289 4.239 4.527 0.001 0.000 0.298 230 F C 2.378 178.250 175.800 0.119 0.000 1.104 230 F CA 1.896 59.977 58.000 0.135 0.000 1.232 230 F CB -1.176 37.912 39.000 0.148 0.000 0.987 230 F HN -0.125 nan 8.300 nan 0.000 0.475 231 Y N -0.354 119.980 120.300 0.056 0.000 2.224 231 Y HA -0.294 4.257 4.550 0.002 0.000 0.289 231 Y C 2.683 178.634 175.900 0.086 0.000 1.146 231 Y CA 2.121 60.210 58.100 -0.019 0.000 1.182 231 Y CB -0.774 37.478 38.460 -0.347 0.000 0.983 231 Y HN 0.170 nan 8.280 nan 0.000 0.524 232 H N 0.064 119.148 119.070 0.024 0.000 2.421 232 H HA -0.121 4.436 4.556 0.002 0.000 0.298 232 H C 2.499 177.841 175.328 0.023 0.000 1.087 232 H CA 1.942 57.996 56.048 0.010 0.000 1.330 232 H CB -0.192 29.660 29.762 0.150 0.000 1.388 232 H HN 0.282 nan 8.280 nan 0.000 0.526 233 R N -0.868 119.674 120.500 0.069 0.000 2.096 233 R HA -0.188 4.153 4.340 0.001 0.000 0.235 233 R C 2.004 178.310 176.300 0.010 0.000 1.127 233 R CA 1.654 57.766 56.100 0.020 0.000 0.968 233 R CB -0.585 29.786 30.300 0.117 0.000 0.861 233 R HN 0.534 nan 8.270 nan 0.000 0.440 234 W N 1.175 122.393 121.300 -0.137 0.000 2.355 234 W HA -0.171 4.490 4.660 0.001 0.000 0.309 234 W C 1.482 177.863 176.519 -0.229 0.000 1.206 234 W CA 1.321 58.572 57.345 -0.157 0.000 1.284 234 W CB -0.427 28.934 29.460 -0.166 0.000 1.145 234 W HN 0.040 nan 8.180 nan 0.000 0.502 235 L N 0.347 121.292 121.223 -0.463 0.000 2.189 235 L HA -0.265 4.076 4.340 0.001 0.000 0.214 235 L C 2.136 178.740 176.870 -0.445 0.000 1.097 235 L CA 1.014 55.515 54.840 -0.566 0.000 0.764 235 L CB -0.833 40.970 42.059 -0.427 0.000 0.900 235 L HN 0.128 nan 8.230 nan 0.000 0.436 236 L N -1.101 119.889 121.223 -0.388 0.000 2.307 236 L HA 0.128 4.469 4.340 0.001 0.000 0.211 236 L C 1.532 178.277 176.870 -0.207 0.000 1.099 236 L CA 0.720 55.389 54.840 -0.284 0.000 0.816 236 L CB -0.822 41.084 42.059 -0.255 0.000 0.952 236 L HN 0.072 nan 8.230 nan 0.000 0.455 237 G N -1.151 107.515 108.800 -0.222 0.000 2.557 237 G HA2 0.322 4.283 3.960 0.001 0.000 0.292 237 G HA3 0.322 4.283 3.960 0.001 0.000 0.292 237 G C -0.293 174.510 174.900 -0.161 0.000 1.237 237 G CA -0.660 44.363 45.100 -0.129 0.000 0.978 237 G HN -0.021 nan 8.290 nan 0.000 0.498 238 R N 0.046 120.506 120.500 -0.066 0.000 2.298 238 R HA 0.398 4.739 4.340 0.001 0.000 0.310 238 R C 0.651 176.924 176.300 -0.045 0.000 1.068 238 R CA -0.202 55.871 56.100 -0.046 0.000 0.957 238 R CB 1.009 31.326 30.300 0.029 0.000 1.003 238 R HN 0.600 nan 8.270 nan 0.000 0.454 239 A N 3.534 126.313 122.820 -0.069 0.000 2.555 239 A HA -0.025 4.296 4.320 0.001 0.000 0.233 239 A C 0.121 177.724 177.584 0.033 0.000 1.060 239 A CA 0.025 52.054 52.037 -0.014 0.000 0.759 239 A CB 0.178 19.162 19.000 -0.026 0.000 0.995 239 A HN 0.760 nan 8.150 nan 0.000 0.506 240 E N 2.436 122.676 120.200 0.067 0.000 2.175 240 E HA 0.431 4.782 4.350 0.001 0.000 0.278 240 E C -2.290 174.371 176.600 0.100 0.000 0.969 240 E CA -1.765 54.690 56.400 0.093 0.000 0.796 240 E CB 0.802 30.571 29.700 0.116 0.000 1.104 240 E HN 0.411 nan 8.360 nan 0.000 0.395 241 P HA -0.148 nan 4.420 nan 0.000 0.211 241 P C 0.518 177.938 177.300 0.199 0.000 1.191 241 P CA 1.140 64.309 63.100 0.114 0.000 0.909 241 P CB 0.111 31.860 31.700 0.082 0.000 0.770 242 H N -0.652 118.461 119.070 0.071 0.000 4.699 242 H HA -0.167 4.390 4.556 0.001 0.000 0.079 242 H C -0.647 174.748 175.328 0.111 0.000 0.610 242 H CA 1.740 57.835 56.048 0.079 0.000 0.980 242 H CB -2.082 27.734 29.762 0.089 0.000 0.421 242 H HN 0.286 nan 8.280 nan 0.000 0.793 243 D N 3.052 123.676 120.400 0.374 0.000 2.750 243 D HA 0.397 5.038 4.640 0.001 0.000 0.225 243 D C -0.124 176.252 176.300 0.127 0.000 1.067 243 D CA 0.742 54.906 54.000 0.274 0.000 1.223 243 D CB 0.057 40.996 40.800 0.232 0.000 1.143 243 D HN 0.207 nan 8.370 nan 0.000 0.460 244 V N 1.942 121.877 119.914 0.034 0.000 2.777 244 V HA 0.045 4.166 4.120 0.001 0.000 0.267 244 V C -0.364 175.704 176.094 -0.043 0.000 1.031 244 V CA -0.709 61.594 62.300 0.005 0.000 0.921 244 V CB 1.394 33.227 31.823 0.017 0.000 1.055 244 V HN 0.408 nan 8.190 nan 0.000 0.485 245 L N 4.524 125.707 121.223 -0.066 0.000 2.534 245 L HA 0.077 4.418 4.340 0.001 0.000 0.271 245 L C 1.464 178.258 176.870 -0.127 0.000 1.178 245 L CA 0.392 55.096 54.840 -0.228 0.000 0.907 245 L CB 0.718 42.678 42.059 -0.165 0.000 1.164 245 L HN 0.991 nan 8.230 nan 0.000 0.482 246 C N 1.175 120.402 119.300 -0.122 0.000 3.019 246 C HA 0.357 4.818 4.460 0.001 0.000 0.295 246 C C 0.621 175.580 174.990 -0.052 0.000 1.256 246 C CA -0.876 58.107 59.018 -0.059 0.000 1.706 246 C CB -0.620 27.100 27.740 -0.032 0.000 2.153 246 C HN 0.786 nan 8.230 nan 0.000 0.618 247 C N 1.594 120.844 119.300 -0.083 0.000 2.985 247 C HA 0.815 5.276 4.460 0.001 0.000 0.314 247 C C -0.743 174.237 174.990 -0.016 0.000 1.215 247 C CA 0.020 59.023 59.018 -0.026 0.000 1.414 247 C CB 1.104 28.826 27.740 -0.030 0.000 1.842 247 C HN 0.843 nan 8.230 nan 0.000 0.477 248 V N 2.263 122.223 119.914 0.076 0.000 2.925 248 V HA 0.832 4.953 4.120 0.001 0.000 0.311 248 V C -1.095 175.128 176.094 0.215 0.000 1.104 248 V CA -0.388 61.974 62.300 0.104 0.000 0.954 248 V CB 1.687 33.561 31.823 0.085 0.000 1.022 248 V HN 1.147 nan 8.190 nan 0.000 0.427 249 H N 2.037 121.152 119.070 0.077 0.000 2.954 249 H HA 0.783 5.340 4.556 0.001 0.000 0.361 249 H C -1.341 173.989 175.328 0.004 0.000 1.122 249 H CA -0.072 56.037 56.048 0.101 0.000 1.217 249 H CB 2.134 31.938 29.762 0.070 0.000 1.776 249 H HN 1.214 nan 8.280 nan 0.000 0.533 250 V N 2.776 122.298 119.914 -0.653 0.000 2.680 250 V HA 0.732 4.853 4.120 0.001 0.000 0.309 250 V C -0.911 174.831 176.094 -0.588 0.000 1.052 250 V CA -0.269 61.699 62.300 -0.554 0.000 0.908 250 V CB 1.657 33.075 31.823 -0.675 0.000 1.001 250 V HN 0.785 nan 8.190 nan 0.000 0.431 251 S N 4.330 119.882 115.700 -0.247 0.000 2.530 251 S HA 0.443 4.914 4.470 0.001 0.000 0.322 251 S C 0.785 175.352 174.600 -0.055 0.000 1.085 251 S CA -0.495 57.661 58.200 -0.073 0.000 1.096 251 S CB 1.387 64.643 63.200 0.093 0.000 0.988 251 S HN 1.012 nan 8.310 nan 0.000 0.466 252 R N 3.140 123.621 120.500 -0.033 0.000 2.083 252 R HA -0.149 4.192 4.340 0.001 0.000 0.237 252 R C 2.005 178.314 176.300 0.015 0.000 1.137 252 R CA 2.249 58.350 56.100 0.003 0.000 0.951 252 R CB -0.351 29.965 30.300 0.027 0.000 0.851 252 R HN 0.906 nan 8.270 nan 0.000 0.434 253 E N -0.067 120.147 120.200 0.023 0.000 2.085 253 E HA -0.206 4.145 4.350 0.001 0.000 0.194 253 E C 1.341 177.953 176.600 0.020 0.000 0.994 253 E CA 1.393 57.808 56.400 0.025 0.000 0.801 253 E CB 0.128 29.847 29.700 0.031 0.000 0.743 253 E HN 0.336 nan 8.360 nan 0.000 0.453 254 E N -0.235 119.979 120.200 0.022 0.000 2.358 254 E HA 0.007 4.358 4.350 0.001 0.000 0.195 254 E C 0.693 177.298 176.600 0.008 0.000 1.010 254 E CA 0.755 57.166 56.400 0.019 0.000 0.856 254 E CB 0.133 29.852 29.700 0.032 0.000 0.795 254 E HN 0.373 nan 8.360 nan 0.000 0.504 255 A N 0.723 123.544 122.820 0.001 0.000 2.519 255 A HA -0.217 4.103 4.320 0.001 0.000 0.297 255 A C 0.261 177.834 177.584 -0.019 0.000 1.472 255 A CA 0.876 52.908 52.037 -0.008 0.000 0.739 255 A CB -2.510 16.490 19.000 -0.001 0.000 1.096 255 A HN 0.365 nan 8.150 nan 0.000 0.414 256 C N 1.431 120.714 119.300 -0.029 0.000 2.686 256 C HA 0.748 5.209 4.460 0.001 0.000 0.318 256 C C -0.583 174.384 174.990 -0.038 0.000 1.160 256 C CA -0.457 58.549 59.018 -0.019 0.000 1.396 256 C CB 1.170 28.921 27.740 0.019 0.000 1.924 256 C HN 1.773 nan 8.230 nan 0.000 0.471 257 L N 5.303 126.506 121.223 -0.033 0.000 2.295 257 L HA 0.813 5.154 4.340 0.001 0.000 0.285 257 L C -0.212 176.756 176.870 0.164 0.000 1.035 257 L CA 0.675 55.519 54.840 0.007 0.000 0.806 257 L CB 1.730 43.781 42.059 -0.014 0.000 1.214 257 L HN 0.765 nan 8.230 nan 0.000 0.426 258 S N 3.323 119.143 115.700 0.199 0.000 2.536 258 S HA 0.870 5.341 4.470 0.001 0.000 0.298 258 S C -0.919 173.797 174.600 0.193 0.000 1.083 258 S CA -0.574 57.763 58.200 0.227 0.000 0.995 258 S CB 2.013 65.316 63.200 0.173 0.000 1.058 258 S HN 0.556 nan 8.310 nan 0.000 0.488 259 V N 1.289 121.296 119.914 0.155 0.000 2.962 259 V HA 0.573 4.694 4.120 0.001 0.000 0.313 259 V C -0.926 175.097 176.094 -0.119 0.000 1.099 259 V CA -0.512 61.757 62.300 -0.053 0.000 0.971 259 V CB 2.025 33.740 31.823 -0.181 0.000 1.028 259 V HN 1.037 nan 8.190 nan 0.000 0.430 260 C N 3.455 122.621 119.300 -0.224 0.000 2.482 260 C HA 0.694 5.155 4.460 0.001 0.000 0.317 260 C C -0.471 174.364 174.990 -0.258 0.000 1.197 260 C CA -0.941 58.007 59.018 -0.117 0.000 1.432 260 C CB 0.935 28.657 27.740 -0.030 0.000 2.062 260 C HN 0.704 nan 8.230 nan 0.000 0.471 261 F N 1.099 121.053 119.950 0.008 0.000 2.440 261 F HA 0.312 4.840 4.527 0.001 0.000 0.328 261 F C 1.641 177.473 175.800 0.054 0.000 1.070 261 F CA -0.077 57.862 58.000 -0.101 0.000 1.011 261 F CB 1.311 40.152 39.000 -0.266 0.000 1.226 261 F HN 0.586 nan 8.300 nan 0.000 0.491 262 S N -0.010 115.801 115.700 0.184 0.000 2.382 262 S HA -0.092 4.379 4.470 0.001 0.000 0.228 262 S C 0.490 175.236 174.600 0.242 0.000 1.027 262 S CA 0.943 59.251 58.200 0.181 0.000 0.991 262 S CB -0.242 63.005 63.200 0.078 0.000 0.823 262 S HN 0.551 nan 8.310 nan 0.000 0.469 263 R N 0.894 121.425 120.500 0.051 0.000 2.854 263 R HA 0.518 4.859 4.340 0.001 0.000 0.271 263 R C -3.415 172.623 176.300 -0.438 0.000 0.994 263 R CA -2.385 53.629 56.100 -0.144 0.000 0.945 263 R CB 0.533 30.794 30.300 -0.064 0.000 1.194 263 R HN -0.135 nan 8.270 nan 0.000 0.476 264 P HA 0.072 nan 4.420 nan 0.000 0.267 264 P C -0.843 176.322 177.300 -0.224 0.000 1.205 264 P CA 0.166 62.998 63.100 -0.447 0.000 0.765 264 P CB 0.695 32.205 31.700 -0.316 0.000 0.828 265 L N 2.188 123.321 121.223 -0.150 0.000 2.415 265 L HA 0.423 4.764 4.340 0.001 0.000 0.256 265 L C 0.099 176.978 176.870 0.016 0.000 1.010 265 L CA -0.691 54.005 54.840 -0.239 0.000 0.826 265 L CB 2.557 44.132 42.059 -0.806 0.000 1.405 265 L HN 0.140 nan 8.230 nan 0.000 0.410 266 T N 1.401 115.935 114.554 -0.034 0.000 2.753 266 T HA 0.334 4.684 4.350 0.001 0.000 0.297 266 T C -0.116 174.370 174.700 -0.357 0.000 0.981 266 T CA -0.318 61.794 62.100 0.019 0.000 0.956 266 T CB 1.161 70.094 68.868 0.108 0.000 0.936 266 T HN 0.163 nan 8.240 nan 0.000 0.463 267 V N 3.457 122.713 119.914 -1.097 0.000 2.521 267 V HA 0.444 4.565 4.120 0.001 0.000 0.286 267 V C 1.400 177.281 176.094 -0.354 0.000 1.034 267 V CA 0.842 62.660 62.300 -0.803 0.000 1.045 267 V CB 0.538 31.586 31.823 -1.292 0.000 0.974 267 V HN 1.217 nan 8.190 nan 0.000 0.480 268 G N 3.567 112.269 108.800 -0.163 0.000 2.130 268 G HA2 -0.195 3.766 3.960 0.001 0.000 0.216 268 G HA3 -0.195 3.766 3.960 0.001 0.000 0.216 268 G C 0.206 175.072 174.900 -0.057 0.000 0.999 268 G CA 0.282 45.330 45.100 -0.088 0.000 0.686 268 G HN 1.207 nan 8.290 nan 0.000 0.515 269 S N -1.081 114.584 115.700 -0.058 0.000 2.713 269 S HA 0.760 5.231 4.470 0.001 0.000 0.296 269 S C 1.663 176.238 174.600 -0.041 0.000 1.114 269 S CA 0.299 58.485 58.200 -0.023 0.000 0.997 269 S CB 1.085 64.288 63.200 0.005 0.000 1.249 269 S HN 0.464 nan 8.310 nan 0.000 0.534 270 R N -0.455 120.033 120.500 -0.021 0.000 2.249 270 R HA -0.162 4.178 4.340 0.001 0.000 0.229 270 R C 0.872 177.135 176.300 -0.062 0.000 1.104 270 R CA 1.935 58.018 56.100 -0.028 0.000 0.876 270 R CB -0.662 29.633 30.300 -0.009 0.000 0.871 270 R HN 0.531 nan 8.270 nan 0.000 0.426 271 M N 0.625 120.193 119.600 -0.053 0.000 3.106 271 M HA 0.403 4.884 4.480 0.001 0.000 0.213 271 M C -1.044 175.125 176.300 -0.219 0.000 1.117 271 M CA -0.707 54.526 55.300 -0.111 0.000 0.900 271 M CB 1.089 33.648 32.600 -0.069 0.000 1.339 271 M HN 0.395 nan 8.290 nan 0.000 0.542 272 G N -0.391 108.182 108.800 -0.379 0.000 2.361 272 G HA2 0.456 4.417 3.960 0.001 0.000 0.299 272 G HA3 0.456 4.417 3.960 0.001 0.000 0.299 272 G C -1.602 172.839 174.900 -0.765 0.000 1.544 272 G CA -0.411 44.061 45.100 -1.047 0.000 0.860 272 G HN 0.333 nan 8.290 nan 0.000 0.610 273 T N -0.724 113.351 114.554 -0.798 0.000 2.787 273 T HA 0.693 5.044 4.350 0.001 0.000 0.297 273 T C -1.199 173.403 174.700 -0.163 0.000 1.221 273 T CA -0.559 61.362 62.100 -0.298 0.000 1.006 273 T CB 1.346 70.122 68.868 -0.154 0.000 1.328 273 T HN 0.583 nan 8.240 nan 0.000 0.509 274 L N 2.578 123.733 121.223 -0.114 0.000 2.295 274 L HA 0.606 4.947 4.340 0.001 0.000 0.285 274 L C -0.547 176.411 176.870 0.147 0.000 1.035 274 L CA -0.742 54.054 54.840 -0.075 0.000 0.806 274 L CB 1.211 42.845 42.059 -0.709 0.000 1.214 274 L HN 0.424 nan 8.230 nan 0.000 0.426 275 L N 3.864 125.186 121.223 0.166 0.000 2.331 275 L HA 0.514 4.855 4.340 0.001 0.000 0.275 275 L C -0.735 176.299 176.870 0.274 0.000 1.022 275 L CA -0.814 54.158 54.840 0.219 0.000 0.812 275 L CB 2.026 44.153 42.059 0.114 0.000 1.257 275 L HN 0.357 nan 8.230 nan 0.000 0.435 276 L N 3.820 125.211 121.223 0.279 0.000 2.313 276 L HA 0.554 4.895 4.340 0.001 0.000 0.283 276 L C -0.730 176.226 176.870 0.143 0.000 1.013 276 L CA -0.276 54.720 54.840 0.259 0.000 0.816 276 L CB 1.398 43.621 42.059 0.275 0.000 1.236 276 L HN 0.450 nan 8.230 nan 0.000 0.419 277 M N 6.344 126.014 119.600 0.116 0.000 2.085 277 M HA 0.422 4.902 4.480 0.001 0.000 0.309 277 M C -1.070 175.227 176.300 -0.004 0.000 0.947 277 M CA -0.451 54.878 55.300 0.049 0.000 0.918 277 M CB 1.519 34.144 32.600 0.043 0.000 1.504 277 M HN 0.228 nan 8.290 nan 0.000 0.420 278 V N 4.316 124.177 119.914 -0.089 0.000 2.304 278 V HA 0.303 4.424 4.120 0.001 0.000 0.278 278 V C -0.108 175.853 176.094 -0.222 0.000 1.018 278 V CA -0.348 61.784 62.300 -0.280 0.000 0.814 278 V CB 0.962 32.541 31.823 -0.408 0.000 1.021 278 V HN 0.914 nan 8.190 nan 0.000 0.440 279 D N 3.319 123.604 120.400 -0.191 0.000 2.873 279 D HA -0.137 4.504 4.640 0.001 0.000 0.228 279 D C 0.544 176.809 176.300 -0.058 0.000 1.122 279 D CA 0.911 54.855 54.000 -0.093 0.000 0.758 279 D CB -0.534 40.227 40.800 -0.064 0.000 1.094 279 D HN 0.831 nan 8.370 nan 0.000 0.434 280 E N -2.747 117.423 120.200 -0.049 0.000 2.340 280 E HA -0.149 4.201 4.350 0.001 0.000 0.240 280 E C -0.126 176.463 176.600 -0.018 0.000 1.154 280 E CA 1.365 57.753 56.400 -0.021 0.000 0.717 280 E CB -1.615 28.076 29.700 -0.015 0.000 1.250 280 E HN 0.832 nan 8.360 nan 0.000 0.386 281 A N -0.429 122.378 122.820 -0.023 0.000 2.583 281 A HA 0.615 4.936 4.320 0.001 0.000 0.298 281 A C -2.935 174.636 177.584 -0.022 0.000 1.055 281 A CA -1.057 50.968 52.037 -0.021 0.000 0.714 281 A CB 1.731 20.714 19.000 -0.029 0.000 1.277 281 A HN -0.045 nan 8.150 nan 0.000 0.406 282 P HA 0.627 nan 4.420 nan 0.000 0.286 282 P C -1.169 176.131 177.300 -0.001 0.000 1.261 282 P CA -0.371 62.733 63.100 0.008 0.000 0.821 282 P CB 1.598 33.308 31.700 0.016 0.000 1.013 283 L N 1.696 122.928 121.223 0.015 0.000 2.441 283 L HA 0.400 4.741 4.340 0.001 0.000 0.270 283 L C -0.279 176.601 176.870 0.016 0.000 0.973 283 L CA -0.426 54.415 54.840 0.002 0.000 0.842 283 L CB 1.783 43.836 42.059 -0.011 0.000 1.239 283 L HN 0.346 nan 8.230 nan 0.000 0.406 284 S N 4.922 120.622 115.700 0.000 0.000 2.474 284 S HA 0.731 5.202 4.470 0.001 0.000 0.276 284 S C -0.471 174.103 174.600 -0.042 0.000 1.227 284 S CA -0.124 58.078 58.200 0.004 0.000 1.050 284 S CB 0.164 63.368 63.200 0.007 0.000 0.939 284 S HN 0.813 nan 8.310 nan 0.000 0.490 285 V N 2.269 122.134 119.914 -0.082 0.000 3.049 285 V HA 0.652 4.772 4.120 0.001 0.000 0.309 285 V C -0.646 175.294 176.094 -0.257 0.000 1.148 285 V CA -1.096 61.066 62.300 -0.231 0.000 0.990 285 V CB 1.752 33.301 31.823 -0.456 0.000 1.039 285 V HN 0.853 nan 8.190 nan 0.000 0.430 286 E N 2.184 122.245 120.200 -0.231 0.000 2.046 286 E HA 0.354 4.704 4.350 0.001 0.000 0.279 286 E C -1.380 175.160 176.600 -0.100 0.000 0.989 286 E CA -0.586 55.760 56.400 -0.090 0.000 0.798 286 E CB 0.664 30.362 29.700 -0.004 0.000 1.086 286 E HN 0.715 nan 8.360 nan 0.000 0.399 287 W N 4.567 125.967 121.300 0.167 0.000 2.218 287 W HA 0.263 4.924 4.660 0.002 0.000 0.326 287 W C 0.740 177.507 176.519 0.414 0.000 1.276 287 W CA -0.336 57.172 57.345 0.272 0.000 1.210 287 W CB 0.631 30.241 29.460 0.249 0.000 1.143 287 W HN 0.481 nan 8.180 nan 0.000 0.563 288 R N 0.313 121.241 120.500 0.714 0.000 2.817 288 R HA 0.734 5.075 4.340 0.001 0.000 0.268 288 R C -0.975 175.440 176.300 0.192 0.000 1.027 288 R CA -1.016 55.368 56.100 0.472 0.000 0.928 288 R CB 1.496 31.925 30.300 0.214 0.000 1.228 288 R HN 0.256 nan 8.270 nan 0.000 0.469 289 T N 1.041 115.449 114.554 -0.244 0.000 2.922 289 T HA 0.270 4.621 4.350 0.001 0.000 0.285 289 T C -1.851 172.738 174.700 -0.184 0.000 1.005 289 T CA -2.195 59.621 62.100 -0.474 0.000 1.061 289 T CB 1.446 69.869 68.868 -0.741 0.000 1.007 289 T HN 0.442 nan 8.240 nan 0.000 0.502 290 P HA -0.134 nan 4.420 nan 0.000 0.217 290 P C 0.814 178.075 177.300 -0.066 0.000 1.151 290 P CA 1.034 64.089 63.100 -0.074 0.000 0.849 290 P CB 0.074 31.731 31.700 -0.071 0.000 0.787 291 D N -2.077 118.269 120.400 -0.089 0.000 2.328 291 D HA 0.079 4.719 4.640 0.001 0.000 0.226 291 D C 1.484 177.757 176.300 -0.046 0.000 1.066 291 D CA 0.500 54.463 54.000 -0.061 0.000 0.861 291 D CB -1.200 39.561 40.800 -0.064 0.000 0.912 291 D HN 0.200 nan 8.370 nan 0.000 0.521 292 G N 0.512 109.286 108.800 -0.043 0.000 2.216 292 G HA2 -0.398 3.563 3.960 0.001 0.000 0.269 292 G HA3 -0.398 3.563 3.960 0.001 0.000 0.269 292 G C 0.419 175.317 174.900 -0.004 0.000 0.981 292 G CA 0.511 45.606 45.100 -0.009 0.000 0.658 292 G HN 0.498 nan 8.290 nan 0.000 0.539 293 R N -0.250 120.231 120.500 -0.030 0.000 2.531 293 R HA 0.379 4.720 4.340 0.001 0.000 0.273 293 R C -0.201 176.094 176.300 -0.008 0.000 1.070 293 R CA -0.516 55.578 56.100 -0.010 0.000 1.112 293 R CB 0.290 30.578 30.300 -0.020 0.000 1.049 293 R HN 0.048 nan 8.270 nan 0.000 0.508 294 N N 2.335 121.065 118.700 0.050 0.000 2.761 294 N HA 0.066 4.806 4.740 0.001 0.000 0.317 294 N C -0.511 175.076 175.510 0.128 0.000 1.546 294 N CA -0.156 52.951 53.050 0.096 0.000 1.015 294 N CB 0.471 39.130 38.487 0.286 0.000 1.343 294 N HN 0.388 nan 8.380 nan 0.000 0.504 295 R N -0.300 120.207 120.500 0.012 0.000 2.652 295 R HA 0.436 4.777 4.340 0.001 0.000 0.271 295 R C -2.392 173.956 176.300 0.080 0.000 1.129 295 R CA -1.457 54.676 56.100 0.055 0.000 1.200 295 R CB -0.952 29.359 30.300 0.019 0.000 1.146 295 R HN -0.073 nan 8.270 nan 0.000 0.581 296 P HA -0.019 nan 4.420 nan 0.000 0.265 296 P C -0.704 176.626 177.300 0.050 0.000 1.187 296 P CA 0.566 63.747 63.100 0.135 0.000 0.766 296 P CB 0.751 32.485 31.700 0.058 0.000 0.820 297 S N 0.652 116.415 115.700 0.104 0.000 2.542 297 S HA 0.222 4.693 4.470 0.001 0.000 0.276 297 S C 0.470 175.147 174.600 0.127 0.000 1.148 297 S CA -0.521 57.664 58.200 -0.025 0.000 0.886 297 S CB 0.431 63.373 63.200 -0.430 0.000 1.109 297 S HN 0.443 nan 8.310 nan 0.000 0.458 298 H N 1.367 120.498 119.070 0.102 0.000 2.428 298 H HA 0.110 4.667 4.556 0.001 0.000 0.296 298 H C 0.827 176.321 175.328 0.276 0.000 1.062 298 H CA 1.597 57.760 56.048 0.191 0.000 1.350 298 H CB 0.415 30.234 29.762 0.094 0.000 1.403 298 H HN 0.277 nan 8.280 nan 0.000 0.533 299 V N 0.698 120.740 119.914 0.214 0.000 2.448 299 V HA 0.306 4.426 4.120 0.001 0.000 0.295 299 V C -1.628 174.468 176.094 0.003 0.000 1.025 299 V CA -0.539 61.840 62.300 0.133 0.000 0.859 299 V CB 1.282 33.125 31.823 0.033 0.000 0.988 299 V HN 0.178 nan 8.190 nan 0.000 0.431 300 W N 6.549 127.942 121.300 0.156 0.000 2.882 300 W HA 0.836 5.497 4.660 0.001 0.000 0.345 300 W C -0.564 176.140 176.519 0.307 0.000 1.125 300 W CA -0.642 56.844 57.345 0.235 0.000 1.167 300 W CB 2.030 31.650 29.460 0.267 0.000 1.431 300 W HN 0.626 nan 8.180 nan 0.000 0.543 301 L N 0.875 122.482 121.223 0.640 0.000 2.630 301 L HA 0.917 5.258 4.340 0.001 0.000 0.258 301 L C -0.820 176.263 176.870 0.356 0.000 1.072 301 L CA -1.234 53.904 54.840 0.496 0.000 0.885 301 L CB 1.019 43.222 42.059 0.240 0.000 1.502 301 L HN 0.779 nan 8.230 nan 0.000 0.406 302 C N -1.748 117.563 119.300 0.018 0.000 3.239 302 C HA 0.719 5.180 4.460 0.001 0.000 0.317 302 C C -0.878 174.023 174.990 -0.149 0.000 1.310 302 C CA -0.579 58.290 59.018 -0.247 0.000 1.371 302 C CB 1.812 29.010 27.740 -0.904 0.000 1.714 302 C HN 0.839 nan 8.230 nan 0.000 0.473 303 D N 1.660 121.983 120.400 -0.129 0.000 2.304 303 D HA 0.545 5.186 4.640 0.001 0.000 0.250 303 D C -0.359 175.886 176.300 -0.092 0.000 1.107 303 D CA 0.158 54.109 54.000 -0.081 0.000 0.885 303 D CB 1.381 42.149 40.800 -0.053 0.000 1.192 303 D HN 0.398 nan 8.370 nan 0.000 0.436 304 L N 3.809 125.002 121.223 -0.050 0.000 2.322 304 L HA 0.428 4.768 4.340 0.001 0.000 0.279 304 L C -1.893 174.968 176.870 -0.016 0.000 1.036 304 L CA -1.978 52.850 54.840 -0.020 0.000 0.807 304 L CB 0.820 42.894 42.059 0.025 0.000 1.226 304 L HN 0.197 nan 8.230 nan 0.000 0.433 305 P HA 0.237 nan 4.420 nan 0.000 0.276 305 P C 0.009 177.296 177.300 -0.021 0.000 1.252 305 P CA -0.516 62.569 63.100 -0.024 0.000 0.802 305 P CB 0.786 32.467 31.700 -0.032 0.000 1.035 306 A N 1.215 124.026 122.820 -0.015 0.000 2.019 306 A HA -0.072 4.249 4.320 0.001 0.000 0.219 306 A C 2.155 179.728 177.584 -0.019 0.000 1.164 306 A CA 1.949 53.983 52.037 -0.005 0.000 0.644 306 A CB -1.537 17.465 19.000 0.003 0.000 0.805 306 A HN 0.603 nan 8.150 nan 0.000 0.449 307 A N -0.683 122.113 122.820 -0.040 0.000 2.015 307 A HA -0.001 4.320 4.320 0.001 0.000 0.219 307 A C 2.291 179.763 177.584 -0.187 0.000 1.163 307 A CA 1.723 53.723 52.037 -0.063 0.000 0.646 307 A CB -0.594 18.376 19.000 -0.049 0.000 0.806 307 A HN 0.424 nan 8.150 nan 0.000 0.448 308 S N -0.592 114.971 115.700 -0.228 0.000 2.481 308 S HA 0.054 4.525 4.470 0.001 0.000 0.231 308 S C 1.201 175.421 174.600 -0.633 0.000 0.996 308 S CA 1.099 59.031 58.200 -0.447 0.000 0.942 308 S CB -0.179 62.945 63.200 -0.127 0.000 0.768 308 S HN 0.533 nan 8.310 nan 0.000 0.520 309 L N 1.079 122.174 121.223 -0.213 0.000 2.858 309 L HA 0.279 4.620 4.340 0.001 0.000 0.251 309 L C 0.547 177.577 176.870 0.267 0.000 1.149 309 L CA -0.463 54.418 54.840 0.068 0.000 0.955 309 L CB -0.403 41.726 42.059 0.117 0.000 1.289 309 L HN 0.170 nan 8.230 nan 0.000 0.542 310 N N 0.098 118.934 118.700 0.228 0.000 2.285 310 N HA -0.066 4.675 4.740 0.001 0.000 0.262 310 N C 0.188 175.829 175.510 0.217 0.000 1.299 310 N CA -0.030 53.129 53.050 0.182 0.000 0.930 310 N CB 0.146 38.691 38.487 0.096 0.000 1.157 310 N HN 0.110 nan 8.380 nan 0.000 0.532 311 D N -1.453 119.005 120.400 0.097 0.000 2.889 311 D HA 0.033 4.674 4.640 0.001 0.000 0.243 311 D C -0.016 176.291 176.300 0.012 0.000 1.270 311 D CA -0.173 53.846 54.000 0.032 0.000 0.838 311 D CB 0.196 41.008 40.800 0.019 0.000 1.040 311 D HN 0.398 nan 8.370 nan 0.000 0.480 312 Q N -0.249 119.570 119.800 0.033 0.000 2.349 312 Q HA 0.169 4.510 4.340 0.001 0.000 0.209 312 Q C 0.197 176.185 176.000 -0.020 0.000 0.920 312 Q CA 0.362 56.178 55.803 0.022 0.000 0.901 312 Q CB 0.762 29.532 28.738 0.052 0.000 1.021 312 Q HN 0.292 nan 8.270 nan 0.000 0.519 313 L N 1.132 122.303 121.223 -0.086 0.000 2.341 313 L HA 0.341 4.682 4.340 0.001 0.000 0.267 313 L C -1.691 175.035 176.870 -0.240 0.000 1.009 313 L CA -2.080 52.666 54.840 -0.157 0.000 0.819 313 L CB 1.019 42.972 42.059 -0.177 0.000 1.323 313 L HN -0.144 nan 8.230 nan 0.000 0.425 314 P HA -0.060 nan 4.420 nan 0.000 0.237 314 P C -0.707 176.479 177.300 -0.191 0.000 1.178 314 P CA 0.680 63.692 63.100 -0.148 0.000 0.766 314 P CB 0.511 32.156 31.700 -0.091 0.000 0.876 315 Q N -1.040 118.593 119.800 -0.279 0.000 2.377 315 Q HA 0.470 4.811 4.340 0.001 0.000 0.279 315 Q C -0.855 174.915 176.000 -0.383 0.000 1.049 315 Q CA -0.893 54.763 55.803 -0.245 0.000 0.825 315 Q CB 1.519 30.196 28.738 -0.102 0.000 1.401 315 Q HN 0.093 nan 8.270 nan 0.000 0.404 316 H N 0.187 119.259 119.070 0.003 0.000 2.731 316 H HA 0.699 5.256 4.556 0.001 0.000 0.368 316 H C -0.828 174.479 175.328 -0.036 0.000 1.168 316 H CA -0.669 55.326 56.048 -0.089 0.000 1.181 316 H CB 2.619 32.311 29.762 -0.116 0.000 1.743 316 H HN 0.637 nan 8.280 nan 0.000 0.547 317 T N 2.083 116.587 114.554 -0.084 0.000 3.071 317 T HA 0.415 4.765 4.350 0.001 0.000 0.311 317 T C -1.240 173.347 174.700 -0.189 0.000 1.042 317 T CA -0.526 61.576 62.100 0.003 0.000 1.028 317 T CB 0.489 69.357 68.868 0.001 0.000 1.068 317 T HN 0.274 nan 8.240 nan 0.000 0.451 318 F N 2.570 122.549 119.950 0.047 0.000 2.716 318 F HA 0.465 4.993 4.527 0.001 0.000 0.354 318 F C 0.513 176.350 175.800 0.062 0.000 1.168 318 F CA -0.893 57.139 58.000 0.053 0.000 1.045 318 F CB 1.281 40.312 39.000 0.051 0.000 1.311 318 F HN 0.102 nan 8.300 nan 0.000 0.477 319 R N 2.664 123.279 120.500 0.191 0.000 2.229 319 R HA 0.654 4.995 4.340 0.001 0.000 0.332 319 R C -1.146 175.260 176.300 0.177 0.000 0.989 319 R CA -0.633 55.558 56.100 0.152 0.000 0.842 319 R CB 1.926 32.283 30.300 0.096 0.000 1.119 319 R HN 0.345 nan 8.270 nan 0.000 0.456 320 V N 6.182 126.204 119.914 0.180 0.000 2.398 320 V HA 0.466 4.587 4.120 0.001 0.000 0.286 320 V C 0.168 176.350 176.094 0.145 0.000 1.026 320 V CA -0.657 61.758 62.300 0.192 0.000 0.868 320 V CB 1.747 33.673 31.823 0.173 0.000 0.982 320 V HN 0.613 nan 8.190 nan 0.000 0.443 321 I N 4.626 125.286 120.570 0.151 0.000 2.418 321 I HA 0.353 4.524 4.170 0.001 0.000 0.287 321 I C -0.599 175.627 176.117 0.180 0.000 1.008 321 I CA -0.265 61.119 61.300 0.140 0.000 1.104 321 I CB 1.627 39.683 38.000 0.094 0.000 1.264 321 I HN 0.725 nan 8.210 nan 0.000 0.438 322 W N 6.863 128.173 121.300 0.017 0.000 2.361 322 W HA 0.232 4.893 4.660 0.001 0.000 0.309 322 W C 0.306 176.839 176.519 0.022 0.000 1.122 322 W CA -0.639 56.717 57.345 0.019 0.000 1.208 322 W CB 1.830 31.353 29.460 0.106 0.000 1.246 322 W HN 0.719 nan 8.180 nan 0.000 0.490 323 T N 1.002 115.095 114.554 -0.768 0.000 3.057 323 T HA 0.065 4.416 4.350 0.001 0.000 0.254 323 T C 1.825 176.133 174.700 -0.654 0.000 1.094 323 T CA 0.801 62.584 62.100 -0.528 0.000 1.088 323 T CB 0.163 68.797 68.868 -0.389 0.000 0.934 323 T HN 0.508 nan 8.240 nan 0.000 0.497 324 G N 1.878 109.933 108.800 -1.242 0.000 2.545 324 G HA2 -0.086 3.875 3.960 0.001 0.000 0.217 324 G HA3 -0.086 3.875 3.960 0.001 0.000 0.217 324 G C 0.892 175.764 174.900 -0.046 0.000 1.218 324 G CA 0.698 45.481 45.100 -0.529 0.000 0.787 324 G HN 0.559 nan 8.290 nan 0.000 0.571 325 S N -0.421 115.429 115.700 0.249 0.000 2.738 325 S HA 0.413 4.884 4.470 0.001 0.000 0.284 325 S C -0.478 174.203 174.600 0.135 0.000 1.146 325 S CA -0.493 57.871 58.200 0.273 0.000 0.997 325 S CB 1.377 64.879 63.200 0.503 0.000 1.081 325 S HN 0.271 nan 8.310 nan 0.000 0.553 326 D N 2.062 122.529 120.400 0.113 0.000 2.863 326 D HA 0.197 4.838 4.640 0.001 0.000 0.323 326 D C -0.547 175.824 176.300 0.119 0.000 1.286 326 D CA 0.014 54.061 54.000 0.079 0.000 0.921 326 D CB 0.456 41.271 40.800 0.025 0.000 1.024 326 D HN 0.453 nan 8.370 nan 0.000 0.505 327 S N 0.469 116.283 115.700 0.191 0.000 2.554 327 S HA 0.440 4.911 4.470 0.001 0.000 0.278 327 S C -0.028 174.665 174.600 0.156 0.000 1.242 327 S CA -0.603 57.697 58.200 0.168 0.000 1.051 327 S CB 2.511 65.823 63.200 0.187 0.000 0.986 327 S HN 0.162 nan 8.310 nan 0.000 0.502 328 Q N 1.367 121.230 119.800 0.106 0.000 2.340 328 Q HA 0.481 4.822 4.340 0.001 0.000 0.268 328 Q C -1.161 174.883 176.000 0.074 0.000 1.031 328 Q CA -0.938 54.920 55.803 0.091 0.000 0.804 328 Q CB 1.773 30.557 28.738 0.078 0.000 1.286 328 Q HN 0.468 nan 8.270 nan 0.000 0.448 329 K N 2.488 122.934 120.400 0.077 0.000 2.535 329 K HA 0.280 4.601 4.320 0.001 0.000 0.253 329 K C -1.241 175.416 176.600 0.096 0.000 0.953 329 K CA -0.343 55.986 56.287 0.071 0.000 0.863 329 K CB 1.686 34.212 32.500 0.043 0.000 1.111 329 K HN 0.598 nan 8.250 nan 0.000 0.431 330 E N 2.793 123.048 120.200 0.091 0.000 2.109 330 E HA 0.265 4.616 4.350 0.001 0.000 0.278 330 E C -0.599 176.062 176.600 0.102 0.000 0.954 330 E CA -0.621 55.843 56.400 0.107 0.000 0.779 330 E CB 0.656 30.404 29.700 0.081 0.000 1.093 330 E HN 0.695 nan 8.360 nan 0.000 0.401 331 C N 2.201 121.579 119.300 0.130 0.000 2.454 331 C HA 0.779 5.240 4.460 0.001 0.000 0.336 331 C C -0.015 175.050 174.990 0.125 0.000 1.189 331 C CA -1.009 58.055 59.018 0.077 0.000 1.877 331 C CB 0.700 28.453 27.740 0.021 0.000 2.348 331 C HN 0.514 nan 8.230 nan 0.000 0.508 332 V N 3.761 123.704 119.914 0.047 0.000 2.409 332 V HA 0.684 4.805 4.120 0.001 0.000 0.291 332 V C -0.791 175.328 176.094 0.042 0.000 1.020 332 V CA -0.357 61.994 62.300 0.085 0.000 0.848 332 V CB 1.216 33.057 31.823 0.030 0.000 0.990 332 V HN 0.970 nan 8.190 nan 0.000 0.430 333 L N 8.224 129.530 121.223 0.139 0.000 2.295 333 L HA 0.630 4.971 4.340 0.001 0.000 0.281 333 L C -0.715 176.190 176.870 0.060 0.000 1.018 333 L CA -0.001 54.889 54.840 0.085 0.000 0.841 333 L CB 1.130 43.276 42.059 0.146 0.000 1.218 333 L HN 0.658 nan 8.230 nan 0.000 0.424 334 L N 3.731 124.949 121.223 -0.007 0.000 2.379 334 L HA 0.485 4.826 4.340 0.001 0.000 0.269 334 L C 0.366 177.226 176.870 -0.016 0.000 1.084 334 L CA -1.293 53.532 54.840 -0.025 0.000 0.802 334 L CB 0.502 42.536 42.059 -0.042 0.000 1.175 334 L HN 0.634 nan 8.230 nan 0.000 0.448 335 K N 0.960 121.340 120.400 -0.034 0.000 2.323 335 K HA -0.139 4.182 4.320 0.001 0.000 0.262 335 K C -0.616 175.976 176.600 -0.013 0.000 1.238 335 K CA 0.403 56.673 56.287 -0.029 0.000 1.249 335 K CB -0.404 32.069 32.500 -0.046 0.000 0.805 335 K HN 0.737 nan 8.250 nan 0.000 0.489 336 D N 0.082 120.483 120.400 0.002 0.000 2.839 336 D HA -0.123 4.518 4.640 0.001 0.000 0.194 336 D C -0.655 175.652 176.300 0.012 0.000 0.988 336 D CA 0.903 54.908 54.000 0.009 0.000 1.009 336 D CB -0.445 40.358 40.800 0.005 0.000 1.067 336 D HN 0.633 nan 8.370 nan 0.000 0.444 337 R N 1.224 121.728 120.500 0.006 0.000 2.491 337 R HA 0.227 4.568 4.340 0.001 0.000 0.283 337 R C -1.221 175.090 176.300 0.019 0.000 1.072 337 R CA -1.073 55.029 56.100 0.003 0.000 1.048 337 R CB -0.055 30.228 30.300 -0.028 0.000 0.983 337 R HN 0.120 nan 8.270 nan 0.000 0.450 338 P HA -0.020 nan 4.420 nan 0.000 0.227 338 P C -0.539 176.784 177.300 0.039 0.000 1.161 338 P CA 0.979 64.106 63.100 0.046 0.000 0.788 338 P CB 0.778 32.518 31.700 0.066 0.000 0.822 339 E N -1.504 118.721 120.200 0.041 0.000 2.449 339 E HA 0.533 4.884 4.350 0.001 0.000 0.278 339 E C -0.948 175.614 176.600 -0.063 0.000 0.992 339 E CA -0.938 55.470 56.400 0.015 0.000 0.807 339 E CB 2.102 31.965 29.700 0.270 0.000 1.350 339 E HN 0.130 nan 8.360 nan 0.000 0.462 340 C N -0.455 118.765 119.300 -0.134 0.000 3.292 340 C HA 0.914 5.375 4.460 0.001 0.000 0.338 340 C C -2.116 172.841 174.990 -0.054 0.000 1.323 340 C CA -0.585 58.271 59.018 -0.269 0.000 1.232 340 C CB 0.015 27.613 27.740 -0.236 0.000 1.517 340 C HN 1.060 nan 8.230 nan 0.000 0.470 341 W N -0.128 121.145 121.300 -0.044 0.000 2.929 341 W HA 0.667 5.327 4.660 0.001 0.000 0.363 341 W C -1.773 174.761 176.519 0.026 0.000 1.168 341 W CA -0.745 56.607 57.345 0.013 0.000 1.163 341 W CB 0.369 29.908 29.460 0.131 0.000 1.455 341 W HN 1.298 nan 8.180 nan 0.000 0.568 342 C N 2.996 122.548 119.300 0.420 0.000 2.705 342 C HA 0.780 5.240 4.460 0.001 0.000 0.369 342 C C -0.923 174.231 174.990 0.273 0.000 1.069 342 C CA -0.463 58.738 59.018 0.305 0.000 1.260 342 C CB 0.495 28.317 27.740 0.136 0.000 1.764 342 C HN 0.860 nan 8.230 nan 0.000 0.469 343 R N 3.750 124.415 120.500 0.276 0.000 2.686 343 R HA 0.453 4.794 4.340 0.001 0.000 0.283 343 R C -1.131 175.210 176.300 0.069 0.000 0.978 343 R CA -0.428 55.746 56.100 0.125 0.000 0.897 343 R CB 1.238 31.568 30.300 0.050 0.000 1.192 343 R HN 0.713 nan 8.270 nan 0.000 0.457 344 D N 2.327 122.737 120.400 0.016 0.000 2.349 344 D HA 0.030 4.671 4.640 0.001 0.000 0.266 344 D C -0.138 176.133 176.300 -0.050 0.000 1.293 344 D CA 0.610 54.599 54.000 -0.019 0.000 0.926 344 D CB 0.925 41.702 40.800 -0.039 0.000 1.090 344 D HN 0.451 nan 8.370 nan 0.000 0.502 345 S N 0.804 116.479 115.700 -0.042 0.000 2.580 345 S HA 0.398 4.869 4.470 0.001 0.000 0.274 345 S C 1.433 175.934 174.600 -0.166 0.000 1.329 345 S CA -0.549 57.612 58.200 -0.065 0.000 1.036 345 S CB 1.845 65.041 63.200 -0.007 0.000 0.919 345 S HN 0.410 nan 8.310 nan 0.000 0.515 346 A N 2.520 125.196 122.820 -0.240 0.000 1.940 346 A HA -0.067 4.254 4.320 0.001 0.000 0.219 346 A C 2.242 179.644 177.584 -0.304 0.000 1.176 346 A CA 2.120 53.852 52.037 -0.510 0.000 0.631 346 A CB -1.732 16.997 19.000 -0.451 0.000 0.814 346 A HN 0.847 nan 8.150 nan 0.000 0.446 347 T N -0.410 114.103 114.554 -0.068 0.000 2.652 347 T HA -0.127 4.224 4.350 0.001 0.000 0.267 347 T C 1.382 176.078 174.700 -0.006 0.000 1.039 347 T CA 1.790 63.924 62.100 0.057 0.000 1.153 347 T CB -0.228 68.731 68.868 0.152 0.000 0.863 347 T HN 0.556 nan 8.240 nan 0.000 0.428 348 D N -0.387 119.994 120.400 -0.033 0.000 2.531 348 D HA 0.078 4.719 4.640 0.001 0.000 0.263 348 D C 1.142 177.415 176.300 -0.046 0.000 1.057 348 D CA 0.301 54.282 54.000 -0.033 0.000 0.909 348 D CB 0.020 40.807 40.800 -0.022 0.000 1.236 348 D HN 0.199 nan 8.370 nan 0.000 0.494 349 E N 1.520 121.682 120.200 -0.063 0.000 2.320 349 E HA 0.096 4.447 4.350 0.001 0.000 0.189 349 E C -0.394 176.146 176.600 -0.099 0.000 1.100 349 E CA -0.083 56.279 56.400 -0.065 0.000 1.009 349 E CB -0.494 29.175 29.700 -0.052 0.000 1.145 349 E HN 0.169 nan 8.360 nan 0.000 0.454 350 Q N 0.464 120.197 119.800 -0.112 0.000 2.413 350 Q HA -0.233 4.107 4.340 0.001 0.000 0.364 350 Q C 0.751 176.643 176.000 -0.180 0.000 1.359 350 Q CA -0.063 55.663 55.803 -0.128 0.000 1.097 350 Q CB -0.534 28.164 28.738 -0.067 0.000 1.286 350 Q HN 0.303 nan 8.270 nan 0.000 0.358 351 L N -0.344 120.666 121.223 -0.354 0.000 2.156 351 L HA -0.091 4.250 4.340 0.001 0.000 0.208 351 L C 1.282 177.896 176.870 -0.427 0.000 1.095 351 L CA 2.163 56.723 54.840 -0.465 0.000 0.770 351 L CB -0.270 41.313 42.059 -0.793 0.000 0.914 351 L HN 0.717 nan 8.230 nan 0.000 0.439 352 F N -3.005 116.901 119.950 -0.073 0.000 3.142 352 F HA 0.352 4.880 4.527 0.001 0.000 0.376 352 F C 0.555 176.329 175.800 -0.043 0.000 1.161 352 F CA -0.933 57.032 58.000 -0.058 0.000 0.988 352 F CB -0.397 38.533 39.000 -0.116 0.000 1.457 352 F HN -0.256 nan 8.300 nan 0.000 0.516 353 R N 1.830 122.407 120.500 0.127 0.000 2.409 353 R HA 0.447 4.788 4.340 0.001 0.000 0.313 353 R C -1.038 175.269 176.300 0.011 0.000 0.953 353 R CA -0.296 55.854 56.100 0.082 0.000 0.849 353 R CB 1.338 31.698 30.300 0.100 0.000 1.171 353 R HN 0.331 nan 8.270 nan 0.000 0.458 354 C N 4.423 123.722 119.300 -0.002 0.000 2.590 354 C HA 0.044 4.505 4.460 0.001 0.000 0.411 354 C C 0.316 175.296 174.990 -0.016 0.000 1.420 354 C CA 0.250 59.256 59.018 -0.021 0.000 1.643 354 C CB -0.605 27.112 27.740 -0.040 0.000 2.528 354 C HN 0.712 nan 8.230 nan 0.000 0.606 355 E N 4.477 124.665 120.200 -0.019 0.000 2.313 355 E HA 0.379 4.730 4.350 0.001 0.000 0.276 355 E C -0.757 175.834 176.600 -0.013 0.000 1.031 355 E CA -0.019 56.373 56.400 -0.013 0.000 0.857 355 E CB 0.649 30.340 29.700 -0.014 0.000 1.040 355 E HN 0.563 nan 8.360 nan 0.000 0.408 356 L N 2.166 123.386 121.223 -0.006 0.000 2.295 356 L HA 0.323 4.664 4.340 0.001 0.000 0.285 356 L C 0.520 177.388 176.870 -0.004 0.000 1.035 356 L CA -0.902 53.936 54.840 -0.005 0.000 0.806 356 L CB 1.342 43.404 42.059 0.006 0.000 1.214 356 L HN 0.528 nan 8.230 nan 0.000 0.426 357 S N 1.467 117.163 115.700 -0.006 0.000 2.608 357 S HA 0.186 4.657 4.470 0.001 0.000 0.261 357 S C 1.214 175.815 174.600 0.000 0.000 1.314 357 S CA -0.799 57.399 58.200 -0.004 0.000 0.992 357 S CB 1.452 64.648 63.200 -0.007 0.000 0.935 357 S HN 0.350 nan 8.310 nan 0.000 0.564 358 V N 1.727 121.641 119.914 0.001 0.000 2.324 358 V HA -0.184 3.937 4.120 0.001 0.000 0.250 358 V C 2.595 178.693 176.094 0.007 0.000 1.060 358 V CA 2.485 64.788 62.300 0.005 0.000 1.042 358 V CB -1.325 30.500 31.823 0.003 0.000 0.650 358 V HN 0.869 nan 8.190 nan 0.000 0.450 359 E N 0.013 120.215 120.200 0.003 0.000 2.072 359 E HA -0.210 4.140 4.350 0.001 0.000 0.191 359 E C 2.165 178.769 176.600 0.007 0.000 0.985 359 E CA 1.404 57.807 56.400 0.004 0.000 0.801 359 E CB -0.320 29.380 29.700 -0.000 0.000 0.750 359 E HN 0.598 nan 8.360 nan 0.000 0.452 360 K N 0.119 120.521 120.400 0.004 0.000 2.062 360 K HA -0.004 4.317 4.320 0.001 0.000 0.205 360 K C 2.210 178.819 176.600 0.015 0.000 1.051 360 K CA 1.259 57.548 56.287 0.004 0.000 0.941 360 K CB -0.076 32.420 32.500 -0.008 0.000 0.719 360 K HN -0.038 nan 8.250 nan 0.000 0.440 361 S N 0.128 115.838 115.700 0.017 0.000 2.370 361 S HA -0.126 4.344 4.470 0.001 0.000 0.226 361 S C 1.772 176.394 174.600 0.037 0.000 1.033 361 S CA 1.837 60.055 58.200 0.030 0.000 1.011 361 S CB -0.359 62.858 63.200 0.030 0.000 0.852 361 S HN 0.477 nan 8.310 nan 0.000 0.457 362 T N 1.321 115.893 114.554 0.030 0.000 2.708 362 T HA -0.079 4.272 4.350 0.001 0.000 0.266 362 T C 1.913 176.636 174.700 0.039 0.000 1.037 362 T CA 1.338 63.458 62.100 0.033 0.000 1.146 362 T CB -0.557 68.325 68.868 0.023 0.000 0.865 362 T HN 0.300 nan 8.240 nan 0.000 0.435 363 V N 1.944 121.879 119.914 0.035 0.000 2.358 363 V HA -0.106 4.015 4.120 0.001 0.000 0.246 363 V C 2.105 178.238 176.094 0.065 0.000 1.047 363 V CA 1.464 63.792 62.300 0.046 0.000 1.035 363 V CB -0.639 31.207 31.823 0.038 0.000 0.658 363 V HN 0.286 nan 8.190 nan 0.000 0.452 364 L N 0.325 121.583 121.223 0.059 0.000 2.083 364 L HA -0.132 4.209 4.340 0.001 0.000 0.209 364 L C 2.542 179.457 176.870 0.074 0.000 1.083 364 L CA 2.376 57.260 54.840 0.074 0.000 0.752 364 L CB -1.992 40.098 42.059 0.052 0.000 0.899 364 L HN 0.498 nan 8.230 nan 0.000 0.433 365 Q N -0.750 119.093 119.800 0.070 0.000 2.172 365 Q HA -0.117 4.224 4.340 0.001 0.000 0.200 365 Q C 2.565 178.610 176.000 0.076 0.000 0.964 365 Q CA 1.604 57.455 55.803 0.080 0.000 0.855 365 Q CB -0.103 28.689 28.738 0.089 0.000 0.918 365 Q HN 0.382 nan 8.270 nan 0.000 0.444 366 S N -0.027 115.715 115.700 0.070 0.000 2.368 366 S HA -0.174 4.297 4.470 0.001 0.000 0.224 366 S C 1.380 176.039 174.600 0.098 0.000 1.029 366 S CA 1.453 59.694 58.200 0.069 0.000 0.988 366 S CB -0.189 63.045 63.200 0.056 0.000 0.838 366 S HN 0.590 nan 8.310 nan 0.000 0.462 367 E N 0.687 120.962 120.200 0.125 0.000 2.418 367 E HA -0.022 4.328 4.350 0.001 0.000 0.197 367 E C 1.819 178.513 176.600 0.156 0.000 1.026 367 E CA 0.400 56.919 56.400 0.197 0.000 0.862 367 E CB -0.197 29.650 29.700 0.246 0.000 0.799 367 E HN 0.338 nan 8.360 nan 0.000 0.518 368 L N 1.422 122.694 121.223 0.081 0.000 2.046 368 L HA -0.176 4.165 4.340 0.001 0.000 0.208 368 L C 1.891 178.788 176.870 0.046 0.000 1.077 368 L CA 1.716 56.567 54.840 0.019 0.000 0.747 368 L CB -0.083 41.954 42.059 -0.036 0.000 0.896 368 L HN -0.018 nan 8.230 nan 0.000 0.432 369 E N -1.078 119.162 120.200 0.067 0.000 2.418 369 E HA -0.064 4.287 4.350 0.001 0.000 0.197 369 E C 2.124 178.757 176.600 0.054 0.000 1.026 369 E CA 0.788 57.221 56.400 0.056 0.000 0.862 369 E CB 0.021 29.750 29.700 0.048 0.000 0.799 369 E HN 0.477 nan 8.360 nan 0.000 0.518 370 S N -0.214 115.540 115.700 0.091 0.000 2.444 370 S HA -0.038 4.433 4.470 0.001 0.000 0.223 370 S C 2.082 176.811 174.600 0.215 0.000 1.054 370 S CA 0.234 58.489 58.200 0.092 0.000 0.947 370 S CB -0.160 63.158 63.200 0.197 0.000 0.850 370 S HN 0.334 nan 8.310 nan 0.000 0.527 371 C N 2.433 121.922 119.300 0.315 0.000 2.413 371 C HA -0.071 4.390 4.460 0.001 0.000 0.276 371 C C 2.567 177.642 174.990 0.143 0.000 1.236 371 C CA 0.860 60.040 59.018 0.270 0.000 1.735 371 C CB -1.057 26.776 27.740 0.154 0.000 2.031 371 C HN 0.576 nan 8.230 nan 0.000 0.474 372 K N 0.756 121.204 120.400 0.080 0.000 2.015 372 K HA -0.226 4.095 4.320 0.001 0.000 0.216 372 K C 1.941 178.600 176.600 0.098 0.000 1.052 372 K CA 1.919 58.263 56.287 0.095 0.000 0.937 372 K CB -0.303 32.247 32.500 0.084 0.000 0.719 372 K HN 0.621 nan 8.250 nan 0.000 0.446 373 E N 0.919 121.164 120.200 0.075 0.000 2.033 373 E HA -0.234 4.117 4.350 0.001 0.000 0.199 373 E C 2.131 178.771 176.600 0.066 0.000 1.011 373 E CA 1.101 57.529 56.400 0.046 0.000 0.815 373 E CB -0.287 29.410 29.700 -0.005 0.000 0.755 373 E HN 0.239 nan 8.360 nan 0.000 0.451 374 L N 1.240 122.523 121.223 0.100 0.000 2.054 374 L HA -0.366 3.975 4.340 0.001 0.000 0.220 374 L C 2.844 179.808 176.870 0.156 0.000 1.081 374 L CA 1.895 56.840 54.840 0.175 0.000 0.780 374 L CB -0.416 41.855 42.059 0.353 0.000 0.893 374 L HN 0.343 nan 8.230 nan 0.000 0.438 375 Q N -0.269 119.617 119.800 0.143 0.000 2.135 375 Q HA -0.269 4.072 4.340 0.001 0.000 0.204 375 Q C 1.864 177.919 176.000 0.091 0.000 0.981 375 Q CA 2.041 57.913 55.803 0.116 0.000 0.856 375 Q CB -0.047 28.771 28.738 0.133 0.000 0.902 375 Q HN 0.629 nan 8.270 nan 0.000 0.425 376 E N 0.106 120.355 120.200 0.082 0.000 2.150 376 E HA -0.153 4.198 4.350 0.001 0.000 0.193 376 E C 2.151 178.786 176.600 0.059 0.000 0.985 376 E CA 0.931 57.367 56.400 0.060 0.000 0.814 376 E CB -0.038 29.692 29.700 0.050 0.000 0.752 376 E HN 0.409 nan 8.360 nan 0.000 0.466 377 L N 0.564 121.829 121.223 0.071 0.000 2.093 377 L HA -0.101 4.239 4.340 0.001 0.000 0.208 377 L C 1.093 178.012 176.870 0.083 0.000 1.085 377 L CA 1.097 55.981 54.840 0.074 0.000 0.755 377 L CB -0.016 42.094 42.059 0.084 0.000 0.904 377 L HN -0.021 nan 8.230 nan 0.000 0.435 378 E N -0.433 119.825 120.200 0.097 0.000 3.651 378 E HA 0.136 4.487 4.350 0.001 0.000 0.220 378 E C -1.811 174.833 176.600 0.072 0.000 1.222 378 E CA -1.261 55.198 56.400 0.097 0.000 1.114 378 E CB 0.967 30.750 29.700 0.139 0.000 1.278 378 E HN 0.114 nan 8.360 nan 0.000 0.412 379 P HA -0.157 nan 4.420 nan 0.000 0.221 379 P C 0.455 177.762 177.300 0.011 0.000 1.145 379 P CA 1.127 64.246 63.100 0.031 0.000 0.795 379 P CB 0.322 32.034 31.700 0.021 0.000 0.775 380 E N -1.019 119.189 120.200 0.012 0.000 2.465 380 E HA 0.043 4.394 4.350 0.001 0.000 0.195 380 E C 0.534 177.118 176.600 -0.027 0.000 1.028 380 E CA -0.327 56.066 56.400 -0.012 0.000 0.899 380 E CB -0.239 29.459 29.700 -0.002 0.000 1.032 380 E HN 0.127 nan 8.360 nan 0.000 0.468 381 N N 2.676 121.373 118.700 -0.006 0.000 2.400 381 N HA -0.055 4.686 4.740 0.001 0.000 0.267 381 N C 0.985 176.392 175.510 -0.171 0.000 1.208 381 N CA 0.254 53.294 53.050 -0.017 0.000 0.951 381 N CB 0.625 39.159 38.487 0.079 0.000 1.227 381 N HN 0.226 nan 8.380 nan 0.000 0.488 382 K N 2.988 123.201 120.400 -0.310 0.000 2.148 382 K HA -0.095 4.226 4.320 0.001 0.000 0.204 382 K C 1.161 177.364 176.600 -0.662 0.000 1.050 382 K CA 0.833 56.829 56.287 -0.485 0.000 0.942 382 K CB -0.158 32.000 32.500 -0.571 0.000 0.724 382 K HN 0.446 nan 8.250 nan 0.000 0.446 383 W N 1.473 122.422 121.300 -0.585 0.000 2.381 383 W HA -0.122 4.538 4.660 0.002 0.000 0.301 383 W C 2.687 178.336 176.519 -1.450 0.000 1.205 383 W CA 0.530 57.224 57.345 -1.084 0.000 1.285 383 W CB -0.987 27.413 29.460 -1.767 0.000 1.133 383 W HN 0.233 nan 8.180 nan 0.000 0.521 384 C N 0.683 119.332 119.300 -1.084 0.000 2.413 384 C HA -0.200 4.261 4.460 0.001 0.000 0.276 384 C C 2.612 177.352 174.990 -0.416 0.000 1.248 384 C CA 1.260 59.837 59.018 -0.734 0.000 1.742 384 C CB -1.319 26.304 27.740 -0.196 0.000 2.017 384 C HN 0.347 nan 8.230 nan 0.000 0.481 385 L N 0.110 121.147 121.223 -0.310 0.000 2.027 385 L HA -0.099 4.242 4.340 0.001 0.000 0.206 385 L C 2.539 179.238 176.870 -0.284 0.000 1.074 385 L CA 1.213 55.937 54.840 -0.194 0.000 0.745 385 L CB -0.829 41.164 42.059 -0.111 0.000 0.898 385 L HN 0.354 nan 8.230 nan 0.000 0.433 386 L N -0.384 120.640 121.223 -0.332 0.000 2.042 386 L HA -0.210 4.131 4.340 0.001 0.000 0.210 386 L C 2.395 179.111 176.870 -0.256 0.000 1.076 386 L CA 2.090 56.755 54.840 -0.290 0.000 0.749 386 L CB -0.800 41.105 42.059 -0.257 0.000 0.893 386 L HN 0.163 nan 8.230 nan 0.000 0.432 387 T N -0.435 113.938 114.554 -0.301 0.000 2.962 387 T HA -0.065 4.286 4.350 0.001 0.000 0.270 387 T C 1.964 176.553 174.700 -0.184 0.000 1.088 387 T CA 1.443 63.437 62.100 -0.177 0.000 1.127 387 T CB -0.271 68.487 68.868 -0.183 0.000 0.883 387 T HN 0.305 nan 8.240 nan 0.000 0.493 388 I N 0.678 121.070 120.570 -0.298 0.000 2.179 388 I HA -0.138 4.032 4.170 0.001 0.000 0.242 388 I C 2.181 178.034 176.117 -0.440 0.000 1.088 388 I CA 1.267 62.319 61.300 -0.412 0.000 1.357 388 I CB -0.301 37.278 38.000 -0.703 0.000 1.051 388 I HN 0.227 nan 8.210 nan 0.000 0.409 389 I N 0.407 120.730 120.570 -0.413 0.000 2.127 389 I HA -0.335 3.836 4.170 0.001 0.000 0.241 389 I C 2.396 178.372 176.117 -0.236 0.000 1.075 389 I CA 1.675 62.775 61.300 -0.333 0.000 1.334 389 I CB -0.383 37.368 38.000 -0.415 0.000 1.040 389 I HN 0.210 nan 8.210 nan 0.000 0.405 390 L N -0.023 121.102 121.223 -0.163 0.000 2.141 390 L HA -0.197 4.144 4.340 0.001 0.000 0.209 390 L C 2.484 179.272 176.870 -0.136 0.000 1.094 390 L CA 1.023 55.795 54.840 -0.114 0.000 0.763 390 L CB -0.444 41.602 42.059 -0.023 0.000 0.908 390 L HN 0.298 nan 8.230 nan 0.000 0.437 391 L N -0.991 120.149 121.223 -0.138 0.000 2.109 391 L HA -0.178 4.162 4.340 0.001 0.000 0.207 391 L C 2.652 179.380 176.870 -0.237 0.000 1.086 391 L CA 1.150 55.910 54.840 -0.134 0.000 0.760 391 L CB -0.229 41.776 42.059 -0.089 0.000 0.910 391 L HN 0.311 nan 8.230 nan 0.000 0.437 392 M N -1.125 118.249 119.600 -0.377 0.000 2.080 392 M HA -0.215 4.266 4.480 0.001 0.000 0.260 392 M C 2.430 178.624 176.300 -0.178 0.000 1.068 392 M CA 1.635 56.647 55.300 -0.480 0.000 1.109 392 M CB -0.400 31.883 32.600 -0.529 0.000 1.342 392 M HN 0.169 nan 8.290 nan 0.000 0.405 393 R N 0.401 120.772 120.500 -0.216 0.000 2.092 393 R HA -0.076 4.265 4.340 0.001 0.000 0.226 393 R C 2.328 178.558 176.300 -0.116 0.000 1.140 393 R CA 1.662 57.624 56.100 -0.230 0.000 0.910 393 R CB -1.324 28.676 30.300 -0.500 0.000 0.822 393 R HN 0.420 nan 8.270 nan 0.000 0.433 394 A N 1.434 124.192 122.820 -0.104 0.000 1.997 394 A HA -0.262 4.059 4.320 0.001 0.000 0.226 394 A C 2.286 179.869 177.584 -0.001 0.000 1.327 394 A CA 2.058 54.065 52.037 -0.049 0.000 0.693 394 A CB -0.892 18.078 19.000 -0.051 0.000 0.832 394 A HN 0.334 nan 8.150 nan 0.000 0.497 395 L N -2.760 118.478 121.223 0.025 0.000 2.121 395 L HA 0.092 4.433 4.340 0.001 0.000 0.200 395 L C 0.187 177.157 176.870 0.167 0.000 1.077 395 L CA 1.191 56.099 54.840 0.114 0.000 0.766 395 L CB 0.243 42.413 42.059 0.185 0.000 0.931 395 L HN 0.422 nan 8.230 nan 0.000 0.452 396 D N -2.342 118.201 120.400 0.238 0.000 2.362 396 D HA 0.115 4.756 4.640 0.001 0.000 0.228 396 D C -2.181 174.227 176.300 0.180 0.000 1.326 396 D CA -0.938 53.163 54.000 0.169 0.000 0.927 396 D CB 1.417 42.255 40.800 0.062 0.000 1.501 396 D HN -0.158 nan 8.370 nan 0.000 0.519 397 P HA -0.059 nan 4.420 nan 0.000 0.214 397 P C 2.066 179.422 177.300 0.093 0.000 1.162 397 P CA 0.543 63.688 63.100 0.074 0.000 0.879 397 P CB 0.685 32.404 31.700 0.033 0.000 0.786 398 L N -1.397 119.864 121.223 0.063 0.000 1.963 398 L HA -0.228 4.113 4.340 0.001 0.000 0.220 398 L C 2.427 179.320 176.870 0.038 0.000 1.076 398 L CA 1.644 56.508 54.840 0.041 0.000 0.772 398 L CB -1.121 40.965 42.059 0.046 0.000 0.892 398 L HN 0.019 nan 8.230 nan 0.000 0.435 399 L N -1.456 119.765 121.223 -0.003 0.000 2.179 399 L HA -0.162 4.179 4.340 0.001 0.000 0.208 399 L C 1.647 178.489 176.870 -0.046 0.000 1.096 399 L CA 1.566 56.363 54.840 -0.072 0.000 0.779 399 L CB -0.461 41.471 42.059 -0.212 0.000 0.922 399 L HN 0.169 nan 8.230 nan 0.000 0.443 400 Y N -0.602 119.717 120.300 0.031 0.000 2.495 400 Y HA 0.145 4.696 4.550 0.002 0.000 0.293 400 Y C 2.122 178.055 175.900 0.054 0.000 1.186 400 Y CA 0.161 58.284 58.100 0.039 0.000 1.266 400 Y CB -0.351 38.121 38.460 0.020 0.000 1.101 400 Y HN 0.331 nan 8.280 nan 0.000 0.517 401 E N 1.604 121.910 120.200 0.176 0.000 2.097 401 E HA -0.317 4.034 4.350 0.001 0.000 0.196 401 E C 2.110 178.795 176.600 0.143 0.000 1.000 401 E CA 1.631 58.117 56.400 0.144 0.000 0.804 401 E CB 0.133 29.889 29.700 0.093 0.000 0.740 401 E HN 0.447 nan 8.360 nan 0.000 0.454 402 K N 0.672 121.145 120.400 0.121 0.000 2.057 402 K HA -0.180 4.141 4.320 0.001 0.000 0.207 402 K C 1.936 178.621 176.600 0.141 0.000 1.049 402 K CA 1.761 58.113 56.287 0.109 0.000 0.931 402 K CB 0.029 32.575 32.500 0.076 0.000 0.714 402 K HN 0.090 nan 8.250 nan 0.000 0.440 403 E N -0.575 119.738 120.200 0.189 0.000 2.072 403 E HA -0.117 4.234 4.350 0.001 0.000 0.191 403 E C 1.809 178.583 176.600 0.290 0.000 0.985 403 E CA 1.590 58.136 56.400 0.244 0.000 0.801 403 E CB 0.042 29.929 29.700 0.313 0.000 0.750 403 E HN 0.338 nan 8.360 nan 0.000 0.452 404 T N 1.309 116.008 114.554 0.242 0.000 2.665 404 T HA -0.193 4.158 4.350 0.001 0.000 0.268 404 T C 1.632 176.535 174.700 0.339 0.000 1.035 404 T CA 0.951 63.199 62.100 0.246 0.000 1.151 404 T CB -0.188 68.825 68.868 0.242 0.000 0.862 404 T HN 0.013 nan 8.240 nan 0.000 0.438 405 L N 0.998 122.391 121.223 0.282 0.000 2.093 405 L HA -0.021 4.319 4.340 0.001 0.000 0.208 405 L C 2.592 179.576 176.870 0.190 0.000 1.085 405 L CA 1.588 56.581 54.840 0.256 0.000 0.755 405 L CB -0.928 41.219 42.059 0.147 0.000 0.904 405 L HN 0.200 nan 8.230 nan 0.000 0.435 406 Q N -1.753 118.117 119.800 0.116 0.000 2.083 406 Q HA -0.146 4.195 4.340 0.001 0.000 0.198 406 Q C 2.315 178.262 176.000 -0.088 0.000 0.969 406 Q CA 1.419 57.219 55.803 -0.005 0.000 0.838 406 Q CB -0.556 28.138 28.738 -0.073 0.000 0.900 406 Q HN 0.461 nan 8.270 nan 0.000 0.436 407 Y N -0.136 120.162 120.300 -0.004 0.000 2.151 407 Y HA -0.229 4.322 4.550 0.001 0.000 0.284 407 Y C 2.127 177.962 175.900 -0.108 0.000 1.166 407 Y CA 1.292 59.338 58.100 -0.090 0.000 1.163 407 Y CB -0.495 37.861 38.460 -0.174 0.000 0.974 407 Y HN 0.049 nan 8.280 nan 0.000 0.511 408 F N -1.242 118.766 119.950 0.098 0.000 2.171 408 F HA -0.254 4.274 4.527 0.002 0.000 0.300 408 F C 2.742 178.532 175.800 -0.017 0.000 1.090 408 F CA 1.641 59.657 58.000 0.028 0.000 1.293 408 F CB -0.522 38.478 39.000 -0.000 0.000 1.013 408 F HN -0.018 nan 8.300 nan 0.000 0.486 409 S N -0.999 114.787 115.700 0.143 0.000 2.406 409 S HA -0.146 4.325 4.470 0.001 0.000 0.228 409 S C 2.073 176.675 174.600 0.003 0.000 1.020 409 S CA 1.835 60.069 58.200 0.057 0.000 0.965 409 S CB -0.462 62.752 63.200 0.023 0.000 0.798 409 S HN 0.325 nan 8.310 nan 0.000 0.488 410 T N 2.674 117.204 114.554 -0.041 0.000 2.737 410 T HA -0.014 4.337 4.350 0.001 0.000 0.265 410 T C 1.666 176.337 174.700 -0.049 0.000 1.038 410 T CA 1.417 63.472 62.100 -0.074 0.000 1.144 410 T CB -0.479 68.296 68.868 -0.154 0.000 0.866 410 T HN 0.345 nan 8.240 nan 0.000 0.434 411 L N 1.369 122.570 121.223 -0.036 0.000 2.093 411 L HA 0.105 4.445 4.340 0.001 0.000 0.208 411 L C 2.242 179.090 176.870 -0.037 0.000 1.085 411 L CA 1.829 56.634 54.840 -0.059 0.000 0.755 411 L CB -0.552 41.452 42.059 -0.092 0.000 0.904 411 L HN 0.066 nan 8.230 nan 0.000 0.435 412 K N -0.728 119.680 120.400 0.013 0.000 2.097 412 K HA -0.114 4.207 4.320 0.001 0.000 0.206 412 K C 1.978 178.570 176.600 -0.013 0.000 1.049 412 K CA 1.219 57.513 56.287 0.012 0.000 0.933 412 K CB -0.182 32.338 32.500 0.034 0.000 0.717 412 K HN 0.462 nan 8.250 nan 0.000 0.442 413 A N 0.225 123.033 122.820 -0.020 0.000 1.968 413 A HA -0.061 4.259 4.320 0.001 0.000 0.217 413 A C 2.118 179.681 177.584 -0.035 0.000 1.169 413 A CA 1.233 53.255 52.037 -0.025 0.000 0.638 413 A CB -0.292 18.692 19.000 -0.027 0.000 0.812 413 A HN 0.159 nan 8.150 nan 0.000 0.446 414 V N -0.053 119.832 119.914 -0.048 0.000 2.591 414 V HA -0.071 4.050 4.120 0.001 0.000 0.249 414 V C 0.782 176.829 176.094 -0.078 0.000 1.053 414 V CA 1.913 64.176 62.300 -0.062 0.000 1.068 414 V CB -0.364 31.411 31.823 -0.080 0.000 0.689 414 V HN 0.579 nan 8.190 nan 0.000 0.462 415 D N -0.598 119.752 120.400 -0.083 0.000 2.502 415 D HA 0.226 4.867 4.640 0.001 0.000 0.301 415 D C -1.559 174.709 176.300 -0.054 0.000 1.202 415 D CA -1.870 52.073 54.000 -0.095 0.000 0.878 415 D CB 1.183 41.886 40.800 -0.162 0.000 1.062 415 D HN 0.169 nan 8.370 nan 0.000 0.499 416 P HA -0.124 nan 4.420 nan 0.000 0.223 416 P C 1.634 178.926 177.300 -0.014 0.000 1.151 416 P CA 0.671 63.759 63.100 -0.020 0.000 0.787 416 P CB 0.189 31.879 31.700 -0.017 0.000 0.788 417 M N -1.186 118.403 119.600 -0.018 0.000 2.279 417 M HA -0.102 4.379 4.480 0.001 0.000 0.264 417 M C 1.408 177.708 176.300 0.001 0.000 1.062 417 M CA 1.453 56.747 55.300 -0.010 0.000 1.099 417 M CB -0.389 32.204 32.600 -0.012 0.000 1.394 417 M HN -0.207 nan 8.290 nan 0.000 0.426 418 R N 0.093 120.595 120.500 0.004 0.000 2.721 418 R HA 0.269 4.610 4.340 0.001 0.000 0.296 418 R C 1.407 177.751 176.300 0.073 0.000 1.174 418 R CA 0.047 56.180 56.100 0.056 0.000 1.129 418 R CB -0.607 29.727 30.300 0.057 0.000 1.316 418 R HN 0.241 nan 8.270 nan 0.000 0.571 419 A N 0.120 122.957 122.820 0.029 0.000 1.898 419 A HA -0.073 4.247 4.320 0.001 0.000 0.216 419 A C 2.162 179.742 177.584 -0.007 0.000 1.181 419 A CA 1.587 53.630 52.037 0.010 0.000 0.620 419 A CB -0.428 18.568 19.000 -0.007 0.000 0.819 419 A HN 0.389 nan 8.150 nan 0.000 0.442 420 A N -1.435 121.388 122.820 0.004 0.000 1.930 420 A HA -0.090 4.231 4.320 0.001 0.000 0.217 420 A C 2.119 179.695 177.584 -0.014 0.000 1.175 420 A CA 1.616 53.643 52.037 -0.016 0.000 0.627 420 A CB -0.778 18.222 19.000 -0.001 0.000 0.815 420 A HN 0.758 nan 8.150 nan 0.000 0.443 421 Y N 0.472 120.737 120.300 -0.059 0.000 2.181 421 Y HA -0.128 4.423 4.550 0.001 0.000 0.288 421 Y C 1.839 177.690 175.900 -0.081 0.000 1.146 421 Y CA 1.852 59.914 58.100 -0.064 0.000 1.164 421 Y CB -0.289 38.147 38.460 -0.040 0.000 0.982 421 Y HN 0.204 nan 8.280 nan 0.000 0.515 422 L N -0.210 120.911 121.223 -0.170 0.000 2.109 422 L HA -0.172 4.169 4.340 0.001 0.000 0.207 422 L C 2.127 178.768 176.870 -0.383 0.000 1.086 422 L CA 1.254 55.966 54.840 -0.212 0.000 0.760 422 L CB -0.565 41.546 42.059 0.087 0.000 0.910 422 L HN 0.152 nan 8.230 nan 0.000 0.437 423 D N 0.172 120.397 120.400 -0.292 0.000 2.117 423 D HA -0.190 4.451 4.640 0.001 0.000 0.197 423 D C 1.733 177.780 176.300 -0.421 0.000 0.987 423 D CA 1.305 55.099 54.000 -0.342 0.000 0.829 423 D CB -0.171 40.505 40.800 -0.208 0.000 0.961 423 D HN 0.266 nan 8.370 nan 0.000 0.460 424 D N 0.023 120.196 120.400 -0.378 0.000 2.144 424 D HA -0.113 4.528 4.640 0.001 0.000 0.199 424 D C 2.074 178.054 176.300 -0.534 0.000 0.984 424 D CA 0.266 54.038 54.000 -0.379 0.000 0.834 424 D CB -0.222 40.412 40.800 -0.277 0.000 0.955 424 D HN 0.138 nan 8.370 nan 0.000 0.465 425 L N 0.605 121.386 121.223 -0.737 0.000 2.109 425 L HA -0.012 4.329 4.340 0.001 0.000 0.207 425 L C 2.185 178.401 176.870 -1.088 0.000 1.086 425 L CA 1.459 55.764 54.840 -0.891 0.000 0.760 425 L CB -0.291 41.248 42.059 -0.866 0.000 0.910 425 L HN -0.154 nan 8.230 nan 0.000 0.437 426 R N -1.073 118.734 120.500 -1.155 0.000 2.075 426 R HA -0.119 4.222 4.340 0.001 0.000 0.232 426 R C 2.142 178.069 176.300 -0.622 0.000 1.126 426 R CA 1.572 56.904 56.100 -1.280 0.000 0.963 426 R CB -0.222 29.099 30.300 -1.632 0.000 0.858 426 R HN 0.424 nan 8.270 nan 0.000 0.435 427 S N 1.075 116.468 115.700 -0.510 0.000 2.370 427 S HA -0.188 4.283 4.470 0.001 0.000 0.226 427 S C 1.709 176.152 174.600 -0.262 0.000 1.033 427 S CA 1.615 59.625 58.200 -0.316 0.000 1.011 427 S CB -0.262 62.779 63.200 -0.264 0.000 0.852 427 S HN 0.405 nan 8.310 nan 0.000 0.457 428 K N 0.848 121.036 120.400 -0.354 0.000 2.044 428 K HA -0.118 4.203 4.320 0.001 0.000 0.210 428 K C 1.783 178.350 176.600 -0.055 0.000 1.049 428 K CA 1.573 57.700 56.287 -0.267 0.000 0.927 428 K CB -0.354 31.921 32.500 -0.375 0.000 0.713 428 K HN 0.440 nan 8.250 nan 0.000 0.443 429 F N 0.238 120.105 119.950 -0.139 0.000 2.234 429 F HA -0.173 4.355 4.527 0.001 0.000 0.299 429 F C 2.113 177.859 175.800 -0.089 0.000 1.087 429 F CA -0.357 57.587 58.000 -0.095 0.000 1.340 429 F CB -0.010 38.997 39.000 0.011 0.000 1.031 429 F HN 0.063 nan 8.300 nan 0.000 0.500 430 L N 0.151 121.427 121.223 0.088 0.000 2.093 430 L HA -0.181 4.160 4.340 0.001 0.000 0.208 430 L C 2.206 179.080 176.870 0.006 0.000 1.085 430 L CA 1.386 56.244 54.840 0.029 0.000 0.755 430 L CB -1.093 40.952 42.059 -0.024 0.000 0.904 430 L HN 0.164 nan 8.230 nan 0.000 0.435 431 L N -0.923 120.292 121.223 -0.013 0.000 2.056 431 L HA -0.205 4.136 4.340 0.001 0.000 0.207 431 L C 2.399 179.269 176.870 0.001 0.000 1.078 431 L CA 1.207 56.044 54.840 -0.005 0.000 0.749 431 L CB -0.168 41.881 42.059 -0.016 0.000 0.901 431 L HN 0.302 nan 8.230 nan 0.000 0.433 432 E N -0.024 120.136 120.200 -0.066 0.000 2.097 432 E HA -0.252 4.099 4.350 0.001 0.000 0.196 432 E C 1.828 178.431 176.600 0.004 0.000 1.000 432 E CA 1.557 57.830 56.400 -0.213 0.000 0.804 432 E CB -0.205 29.124 29.700 -0.618 0.000 0.740 432 E HN 0.549 nan 8.360 nan 0.000 0.454 433 N N 0.304 119.005 118.700 0.002 0.000 2.120 433 N HA -0.092 4.649 4.740 0.001 0.000 0.188 433 N C 1.861 177.352 175.510 -0.031 0.000 1.024 433 N CA 0.969 54.017 53.050 -0.004 0.000 0.852 433 N CB -0.356 38.137 38.487 0.010 0.000 1.003 433 N HN -0.029 nan 8.380 nan 0.000 0.424 434 S N 0.210 115.909 115.700 -0.003 0.000 2.382 434 S HA -0.040 4.431 4.470 0.001 0.000 0.228 434 S C 2.193 176.791 174.600 -0.003 0.000 1.027 434 S CA 0.558 58.760 58.200 0.003 0.000 0.991 434 S CB -0.206 63.009 63.200 0.025 0.000 0.823 434 S HN 0.084 nan 8.310 nan 0.000 0.469 435 V N 2.532 122.462 119.914 0.026 0.000 2.343 435 V HA -0.182 3.939 4.120 0.001 0.000 0.247 435 V C 2.108 178.186 176.094 -0.027 0.000 1.051 435 V CA 1.592 63.916 62.300 0.040 0.000 1.036 435 V CB -0.828 31.084 31.823 0.148 0.000 0.654 435 V HN 0.454 nan 8.190 nan 0.000 0.451 436 L N -0.445 120.719 121.223 -0.097 0.000 2.042 436 L HA -0.223 4.118 4.340 0.001 0.000 0.210 436 L C 2.448 178.999 176.870 -0.531 0.000 1.076 436 L CA 1.831 56.411 54.840 -0.433 0.000 0.749 436 L CB -0.903 40.827 42.059 -0.549 0.000 0.893 436 L HN 0.241 nan 8.230 nan 0.000 0.432 437 K N -0.051 120.184 120.400 -0.274 0.000 2.209 437 K HA -0.162 4.159 4.320 0.001 0.000 0.204 437 K C 2.146 178.739 176.600 -0.012 0.000 1.048 437 K CA 1.546 57.745 56.287 -0.146 0.000 0.940 437 K CB -0.181 32.281 32.500 -0.063 0.000 0.729 437 K HN 0.351 nan 8.250 nan 0.000 0.451 438 M N 0.735 120.335 119.600 -0.001 0.000 2.193 438 M HA -0.123 4.358 4.480 0.001 0.000 0.265 438 M C 1.459 177.798 176.300 0.065 0.000 1.071 438 M CA 1.696 57.020 55.300 0.040 0.000 1.140 438 M CB 0.211 32.818 32.600 0.011 0.000 1.369 438 M HN 0.023 nan 8.290 nan 0.000 0.423 439 E N -0.479 119.765 120.200 0.074 0.000 2.112 439 E HA -0.144 4.207 4.350 0.001 0.000 0.190 439 E C 1.807 178.562 176.600 0.259 0.000 0.979 439 E CA 0.935 57.415 56.400 0.134 0.000 0.814 439 E CB -0.060 29.722 29.700 0.137 0.000 0.762 439 E HN 0.520 nan 8.360 nan 0.000 0.460 440 Y N 0.630 120.946 120.300 0.026 0.000 2.128 440 Y HA -0.122 4.429 4.550 0.001 0.000 0.284 440 Y C 2.246 178.163 175.900 0.028 0.000 1.154 440 Y CA 0.901 59.015 58.100 0.024 0.000 1.149 440 Y CB -0.854 37.621 38.460 0.024 0.000 0.976 440 Y HN 0.005 nan 8.280 nan 0.000 0.505 441 A N -0.413 122.531 122.820 0.207 0.000 2.252 441 A HA 0.004 4.325 4.320 0.001 0.000 0.207 441 A C 0.796 178.441 177.584 0.100 0.000 1.194 441 A CA 0.931 53.044 52.037 0.127 0.000 0.809 441 A CB -0.705 18.360 19.000 0.109 0.000 0.814 441 A HN 0.433 nan 8.150 nan 0.000 0.482 442 D N -0.926 119.538 120.400 0.107 0.000 2.811 442 D HA -0.152 4.489 4.640 0.001 0.000 0.231 442 D C 0.317 176.664 176.300 0.079 0.000 1.157 442 D CA 1.180 55.236 54.000 0.094 0.000 0.716 442 D CB -1.804 39.049 40.800 0.089 0.000 1.077 442 D HN 0.760 nan 8.370 nan 0.000 0.428 443 V N -3.073 116.876 119.914 0.059 0.000 3.369 443 V HA 0.680 4.801 4.120 0.001 0.000 0.301 443 V C 1.246 177.335 176.094 -0.009 0.000 1.184 443 V CA -0.558 61.763 62.300 0.034 0.000 1.013 443 V CB 1.467 33.309 31.823 0.032 0.000 1.230 443 V HN -0.023 nan 8.190 nan 0.000 0.464 444 R N -0.214 120.269 120.500 -0.029 0.000 2.629 444 R HA 0.428 4.769 4.340 0.001 0.000 0.386 444 R C -0.496 175.771 176.300 -0.054 0.000 1.071 444 R CA 0.105 56.163 56.100 -0.069 0.000 1.104 444 R CB 1.200 31.448 30.300 -0.087 0.000 1.370 444 R HN 0.747 nan 8.270 nan 0.000 0.574 445 V N -0.629 119.237 119.914 -0.080 0.000 2.398 445 V HA 0.543 4.664 4.120 0.001 0.000 0.286 445 V C -0.631 175.311 176.094 -0.253 0.000 1.026 445 V CA -1.137 61.062 62.300 -0.169 0.000 0.868 445 V CB 1.573 33.233 31.823 -0.271 0.000 0.982 445 V HN -0.035 nan 8.190 nan 0.000 0.443 446 L N 5.092 126.175 121.223 -0.234 0.000 2.313 446 L HA 0.663 5.004 4.340 0.001 0.000 0.283 446 L C -0.588 176.177 176.870 -0.175 0.000 1.013 446 L CA -0.200 54.546 54.840 -0.157 0.000 0.816 446 L CB 1.325 43.338 42.059 -0.076 0.000 1.236 446 L HN 0.815 nan 8.230 nan 0.000 0.419 447 H N 5.987 125.062 119.070 0.008 0.000 2.638 447 H HA 0.502 5.059 4.556 0.001 0.000 0.303 447 H C -0.164 175.172 175.328 0.013 0.000 1.034 447 H CA -0.222 55.835 56.048 0.016 0.000 1.225 447 H CB 1.076 30.849 29.762 0.018 0.000 1.394 447 H HN 0.544 nan 8.280 nan 0.000 0.477 448 L N 2.401 123.693 121.223 0.115 0.000 3.347 448 L HA 0.417 4.758 4.340 0.001 0.000 0.306 448 L C 0.500 177.400 176.870 0.050 0.000 1.301 448 L CA -0.343 54.532 54.840 0.059 0.000 0.985 448 L CB 0.471 42.538 42.059 0.014 0.000 1.400 448 L HN 0.572 nan 8.230 nan 0.000 0.601 449 A N -1.137 121.741 122.820 0.096 0.000 2.386 449 A HA 0.272 4.593 4.320 0.001 0.000 0.248 449 A C 0.620 178.272 177.584 0.113 0.000 1.082 449 A CA 0.087 52.173 52.037 0.081 0.000 0.789 449 A CB -0.089 19.021 19.000 0.184 0.000 1.025 449 A HN 0.583 nan 8.150 nan 0.000 0.490 450 H N 0.047 119.159 119.070 0.070 0.000 2.713 450 H HA -0.101 4.456 4.556 0.001 0.000 0.311 450 H C 0.099 175.429 175.328 0.003 0.000 1.175 450 H CA 1.157 57.222 56.048 0.029 0.000 1.143 450 H CB -0.669 29.083 29.762 -0.018 0.000 1.434 450 H HN 0.649 nan 8.280 nan 0.000 0.418 451 K N 0.497 120.924 120.400 0.045 0.000 2.373 451 K HA 0.023 4.344 4.320 0.001 0.000 0.202 451 K C 0.505 177.089 176.600 -0.026 0.000 1.025 451 K CA 0.245 56.541 56.287 0.015 0.000 1.115 451 K CB 0.487 32.987 32.500 -0.001 0.000 0.858 451 K HN 0.332 nan 8.250 nan 0.000 0.525 452 D N 1.367 121.753 120.400 -0.024 0.000 2.686 452 D HA -0.188 4.453 4.640 0.001 0.000 0.235 452 D C -0.721 175.523 176.300 -0.093 0.000 1.160 452 D CA 0.314 54.282 54.000 -0.053 0.000 0.645 452 D CB -1.169 39.599 40.800 -0.052 0.000 1.039 452 D HN 0.195 nan 8.370 nan 0.000 0.423 453 L N 0.120 121.288 121.223 -0.091 0.000 2.455 453 L HA 0.186 4.526 4.340 0.001 0.000 0.272 453 L C 2.025 178.826 176.870 -0.115 0.000 1.174 453 L CA 0.872 55.643 54.840 -0.116 0.000 0.869 453 L CB 0.642 42.643 42.059 -0.097 0.000 1.130 453 L HN 0.326 nan 8.230 nan 0.000 0.474 454 T N -0.895 113.576 114.554 -0.139 0.000 2.975 454 T HA 0.259 4.610 4.350 0.001 0.000 0.257 454 T C 0.164 174.792 174.700 -0.120 0.000 1.003 454 T CA -0.214 61.813 62.100 -0.122 0.000 0.932 454 T CB 0.623 69.413 68.868 -0.130 0.000 1.087 454 T HN 0.311 nan 8.240 nan 0.000 0.512 455 V N 0.754 120.585 119.914 -0.139 0.000 3.178 455 V HA 0.567 4.688 4.120 0.001 0.000 0.302 455 V C -1.820 174.194 176.094 -0.133 0.000 1.262 455 V CA -1.451 60.772 62.300 -0.128 0.000 1.030 455 V CB 2.399 34.140 31.823 -0.137 0.000 1.074 455 V HN 0.391 nan 8.190 nan 0.000 0.438 456 L N 3.554 124.707 121.223 -0.118 0.000 2.322 456 L HA 0.703 5.044 4.340 0.001 0.000 0.279 456 L C -0.523 176.259 176.870 -0.147 0.000 1.036 456 L CA -0.304 54.465 54.840 -0.119 0.000 0.807 456 L CB 1.580 43.584 42.059 -0.092 0.000 1.226 456 L HN 0.639 nan 8.230 nan 0.000 0.433 457 C N -0.184 119.007 119.300 -0.181 0.000 3.108 457 C HA 0.456 4.917 4.460 0.001 0.000 0.321 457 C C 0.345 175.192 174.990 -0.240 0.000 1.357 457 C CA -0.512 58.328 59.018 -0.297 0.000 1.562 457 C CB 1.369 28.802 27.740 -0.512 0.000 2.003 457 C HN 0.967 nan 8.230 nan 0.000 0.460 458 H N -0.356 118.672 119.070 -0.071 0.000 2.822 458 H HA -0.140 4.416 4.556 0.001 0.000 0.295 458 H C 0.906 176.181 175.328 -0.087 0.000 1.151 458 H CA 0.880 56.897 56.048 -0.052 0.000 1.151 458 H CB -1.648 28.122 29.762 0.013 0.000 1.343 458 H HN 0.578 nan 8.280 nan 0.000 0.382 459 L N 0.679 121.869 121.223 -0.056 0.000 2.362 459 L HA -0.129 4.211 4.340 0.001 0.000 0.219 459 L C 2.545 179.355 176.870 -0.100 0.000 1.134 459 L CA 1.609 56.407 54.840 -0.071 0.000 0.807 459 L CB -0.153 41.853 42.059 -0.087 0.000 0.927 459 L HN 0.319 nan 8.230 nan 0.000 0.447 460 E N -0.108 119.983 120.200 -0.181 0.000 2.478 460 E HA -0.196 4.155 4.350 0.001 0.000 0.198 460 E C 1.257 177.804 176.600 -0.089 0.000 1.046 460 E CA 0.690 56.982 56.400 -0.180 0.000 0.870 460 E CB -0.086 29.395 29.700 -0.366 0.000 0.818 460 E HN 0.522 nan 8.360 nan 0.000 0.527 461 Q N 0.432 120.209 119.800 -0.038 0.000 2.403 461 Q HA 0.192 4.533 4.340 0.001 0.000 0.203 461 Q C 1.426 177.396 176.000 -0.050 0.000 0.932 461 Q CA 0.255 56.046 55.803 -0.020 0.000 0.945 461 Q CB 0.354 29.120 28.738 0.046 0.000 1.045 461 Q HN 0.393 nan 8.270 nan 0.000 0.511 462 L N 0.800 121.983 121.223 -0.066 0.000 2.848 462 L HA 0.131 4.472 4.340 0.001 0.000 0.240 462 L C 1.458 178.243 176.870 -0.141 0.000 1.232 462 L CA -0.159 54.624 54.840 -0.095 0.000 1.031 462 L CB -0.187 41.826 42.059 -0.077 0.000 1.338 462 L HN 0.080 nan 8.230 nan 0.000 0.509 463 L N 0.413 121.544 121.223 -0.154 0.000 2.191 463 L HA -0.130 4.211 4.340 0.001 0.000 0.212 463 L C 1.829 178.514 176.870 -0.309 0.000 1.103 463 L CA 1.921 56.641 54.840 -0.199 0.000 0.769 463 L CB -0.097 41.861 42.059 -0.168 0.000 0.908 463 L HN 0.343 nan 8.230 nan 0.000 0.438 464 L N -1.433 119.584 121.223 -0.343 0.000 2.640 464 L HA 0.176 4.517 4.340 0.001 0.000 0.230 464 L C 0.467 177.135 176.870 -0.337 0.000 1.123 464 L CA -0.550 54.009 54.840 -0.469 0.000 0.900 464 L CB 0.054 41.712 42.059 -0.669 0.000 1.146 464 L HN -0.153 nan 8.230 nan 0.000 0.484 465 V N 1.021 120.792 119.914 -0.238 0.000 2.655 465 V HA -0.040 4.080 4.120 0.001 0.000 0.300 465 V C 1.554 177.556 176.094 -0.155 0.000 1.044 465 V CA 1.056 63.255 62.300 -0.169 0.000 1.095 465 V CB 1.174 32.920 31.823 -0.129 0.000 0.952 465 V HN 0.467 nan 8.190 nan 0.000 0.485 466 T N 0.257 114.754 114.554 -0.096 0.000 2.969 466 T HA 0.205 4.556 4.350 0.001 0.000 0.250 466 T C 0.481 175.006 174.700 -0.291 0.000 1.021 466 T CA 0.182 62.205 62.100 -0.129 0.000 1.003 466 T CB 0.134 69.011 68.868 0.015 0.000 1.040 466 T HN 0.670 nan 8.240 nan 0.000 0.492 467 H N 0.110 119.112 119.070 -0.113 0.000 2.759 467 H HA 0.615 5.172 4.556 0.001 0.000 0.354 467 H C -1.872 173.373 175.328 -0.138 0.000 1.074 467 H CA -0.890 55.091 56.048 -0.111 0.000 1.226 467 H CB 2.468 32.162 29.762 -0.113 0.000 1.648 467 H HN 0.089 nan 8.280 nan 0.000 0.529 468 L N 3.615 124.817 121.223 -0.035 0.000 2.404 468 L HA 0.286 4.627 4.340 0.001 0.000 0.272 468 L C -0.863 175.986 176.870 -0.035 0.000 0.980 468 L CA -0.452 54.353 54.840 -0.058 0.000 0.836 468 L CB 1.483 43.499 42.059 -0.071 0.000 1.238 468 L HN 0.517 nan 8.230 nan 0.000 0.408 469 D N 4.837 125.222 120.400 -0.026 0.000 2.329 469 D HA 0.313 4.954 4.640 0.001 0.000 0.232 469 D C 0.037 176.339 176.300 0.004 0.000 1.088 469 D CA 0.009 54.017 54.000 0.014 0.000 0.835 469 D CB 1.023 41.872 40.800 0.082 0.000 1.078 469 D HN 0.662 nan 8.370 nan 0.000 0.495 470 L N 2.719 123.926 121.223 -0.026 0.000 3.066 470 L HA 0.142 4.483 4.340 0.001 0.000 0.265 470 L C 0.764 177.589 176.870 -0.076 0.000 1.232 470 L CA -0.316 54.496 54.840 -0.046 0.000 1.031 470 L CB 0.136 42.158 42.059 -0.062 0.000 1.379 470 L HN 0.281 nan 8.230 nan 0.000 0.563 471 S N -1.392 114.265 115.700 -0.072 0.000 2.603 471 S HA 0.194 4.665 4.470 0.001 0.000 0.268 471 S C 0.459 174.922 174.600 -0.228 0.000 1.317 471 S CA -0.228 57.864 58.200 -0.180 0.000 1.012 471 S CB 0.421 63.528 63.200 -0.155 0.000 0.926 471 S HN 0.446 nan 8.310 nan 0.000 0.539 472 H N 0.599 119.533 119.070 -0.226 0.000 2.827 472 H HA -0.101 4.455 4.556 0.001 0.000 0.330 472 H C -0.310 174.868 175.328 -0.249 0.000 1.236 472 H CA 0.744 56.596 56.048 -0.326 0.000 1.165 472 H CB -2.056 27.219 29.762 -0.812 0.000 1.532 472 H HN 0.710 nan 8.280 nan 0.000 0.434 473 N N 0.142 118.780 118.700 -0.104 0.000 3.439 473 N HA 0.363 5.103 4.740 0.001 0.000 0.343 473 N C 0.562 176.030 175.510 -0.069 0.000 1.597 473 N CA -0.773 52.232 53.050 -0.076 0.000 0.733 473 N CB 1.103 39.541 38.487 -0.081 0.000 1.973 473 N HN 0.200 nan 8.380 nan 0.000 0.646 474 R N 0.613 121.071 120.500 -0.070 0.000 2.816 474 R HA 0.431 4.772 4.340 0.001 0.000 0.382 474 R C -0.401 175.856 176.300 -0.072 0.000 1.140 474 R CA -0.224 55.837 56.100 -0.066 0.000 1.050 474 R CB 0.076 30.340 30.300 -0.060 0.000 1.396 474 R HN 0.316 nan 8.270 nan 0.000 0.583 475 L N 0.716 121.893 121.223 -0.076 0.000 2.417 475 L HA 0.240 4.581 4.340 0.001 0.000 0.268 475 L C 1.525 178.356 176.870 -0.066 0.000 1.158 475 L CA 0.009 54.804 54.840 -0.075 0.000 0.819 475 L CB 0.756 42.768 42.059 -0.078 0.000 1.112 475 L HN 0.194 nan 8.230 nan 0.000 0.458 476 R N 1.656 122.120 120.500 -0.061 0.000 2.316 476 R HA 0.394 4.735 4.340 0.001 0.000 0.201 476 R C -0.205 176.065 176.300 -0.049 0.000 0.888 476 R CA 0.146 56.215 56.100 -0.052 0.000 1.041 476 R CB 1.017 31.289 30.300 -0.047 0.000 1.115 476 R HN 0.688 nan 8.270 nan 0.000 0.559 477 A N 0.997 123.786 122.820 -0.053 0.000 2.572 477 A HA 0.567 4.888 4.320 0.001 0.000 0.295 477 A C -1.216 176.335 177.584 -0.054 0.000 1.072 477 A CA -0.660 51.347 52.037 -0.049 0.000 0.691 477 A CB 1.326 20.300 19.000 -0.043 0.000 1.291 477 A HN 0.085 nan 8.150 nan 0.000 0.404 478 L N 3.232 124.424 121.223 -0.052 0.000 2.270 478 L HA 0.372 4.713 4.340 0.001 0.000 0.286 478 L C -2.008 174.832 176.870 -0.050 0.000 1.059 478 L CA -1.635 53.172 54.840 -0.055 0.000 0.839 478 L CB 1.017 43.043 42.059 -0.055 0.000 1.221 478 L HN 0.517 nan 8.230 nan 0.000 0.431 479 P HA 0.260 nan 4.420 nan 0.000 0.276 479 P C -2.381 174.895 177.300 -0.041 0.000 1.261 479 P CA -1.766 61.308 63.100 -0.043 0.000 0.800 479 P CB 0.677 32.351 31.700 -0.044 0.000 1.066 480 P HA -0.051 nan 4.420 nan 0.000 0.223 480 P C 1.312 178.592 177.300 -0.034 0.000 1.151 480 P CA 1.433 64.513 63.100 -0.034 0.000 0.787 480 P CB -0.461 31.221 31.700 -0.029 0.000 0.788 481 A N -0.673 122.131 122.820 -0.027 0.000 2.172 481 A HA -0.113 4.208 4.320 0.001 0.000 0.216 481 A C 1.881 179.437 177.584 -0.047 0.000 1.154 481 A CA 0.731 52.754 52.037 -0.023 0.000 0.701 481 A CB -1.486 17.503 19.000 -0.018 0.000 0.789 481 A HN 0.147 nan 8.150 nan 0.000 0.465 482 L N -0.727 120.464 121.223 -0.053 0.000 2.450 482 L HA -0.037 4.304 4.340 0.001 0.000 0.224 482 L C 2.477 179.310 176.870 -0.062 0.000 1.149 482 L CA 1.311 56.115 54.840 -0.061 0.000 0.816 482 L CB -0.419 41.604 42.059 -0.061 0.000 0.932 482 L HN 0.370 nan 8.230 nan 0.000 0.449 483 A N -0.761 122.025 122.820 -0.056 0.000 2.070 483 A HA -0.068 4.253 4.320 0.001 0.000 0.220 483 A C 2.435 179.984 177.584 -0.058 0.000 1.159 483 A CA 1.217 53.219 52.037 -0.058 0.000 0.656 483 A CB -0.751 18.213 19.000 -0.060 0.000 0.800 483 A HN 0.480 nan 8.150 nan 0.000 0.453 484 A N -0.713 122.074 122.820 -0.056 0.000 2.070 484 A HA 0.070 4.391 4.320 0.001 0.000 0.220 484 A C 1.001 178.536 177.584 -0.081 0.000 1.159 484 A CA 0.724 52.727 52.037 -0.058 0.000 0.656 484 A CB -0.444 18.518 19.000 -0.063 0.000 0.800 484 A HN 0.370 nan 8.150 nan 0.000 0.453 485 L N 1.100 122.269 121.223 -0.090 0.000 2.376 485 L HA 0.140 4.481 4.340 0.001 0.000 0.250 485 L C 1.564 178.362 176.870 -0.120 0.000 1.335 485 L CA 0.208 54.981 54.840 -0.112 0.000 1.214 485 L CB -0.216 41.780 42.059 -0.105 0.000 1.395 485 L HN 0.247 nan 8.230 nan 0.000 0.424 486 R N -0.114 120.304 120.500 -0.137 0.000 2.235 486 R HA -0.019 4.322 4.340 0.001 0.000 0.213 486 R C 1.185 177.384 176.300 -0.168 0.000 1.059 486 R CA 0.765 56.786 56.100 -0.132 0.000 0.997 486 R CB -0.147 30.080 30.300 -0.122 0.000 0.884 486 R HN 0.552 nan 8.270 nan 0.000 0.462 487 C N 0.570 119.736 119.300 -0.224 0.000 2.906 487 C HA 0.232 4.693 4.460 0.001 0.000 0.274 487 C C 0.697 175.591 174.990 -0.161 0.000 1.257 487 C CA -0.965 57.933 59.018 -0.200 0.000 1.695 487 C CB -1.072 26.503 27.740 -0.275 0.000 1.958 487 C HN 0.219 nan 8.230 nan 0.000 0.619 488 L N 2.231 123.360 121.223 -0.156 0.000 2.477 488 L HA 0.119 4.460 4.340 0.001 0.000 0.272 488 L C 1.004 177.766 176.870 -0.179 0.000 1.157 488 L CA 1.137 55.875 54.840 -0.170 0.000 0.889 488 L CB 0.122 42.097 42.059 -0.141 0.000 1.158 488 L HN 0.296 nan 8.230 nan 0.000 0.473 489 E N 3.290 123.332 120.200 -0.263 0.000 2.244 489 E HA 0.145 4.496 4.350 0.001 0.000 0.196 489 E C -0.523 175.925 176.600 -0.253 0.000 0.939 489 E CA 0.281 56.530 56.400 -0.253 0.000 0.884 489 E CB 0.580 30.102 29.700 -0.296 0.000 0.850 489 E HN 0.430 nan 8.360 nan 0.000 0.481 490 V N 2.543 122.245 119.914 -0.354 0.000 2.443 490 V HA 0.254 4.375 4.120 0.001 0.000 0.293 490 V C -1.163 174.847 176.094 -0.140 0.000 1.021 490 V CA -0.769 61.401 62.300 -0.216 0.000 0.848 490 V CB 1.895 33.616 31.823 -0.171 0.000 0.998 490 V HN 0.077 nan 8.190 nan 0.000 0.424 491 L N 4.918 126.086 121.223 -0.092 0.000 2.318 491 L HA 0.642 4.983 4.340 0.001 0.000 0.277 491 L C -0.233 176.607 176.870 -0.050 0.000 1.008 491 L CA -0.390 54.408 54.840 -0.071 0.000 0.846 491 L CB 1.596 43.610 42.059 -0.075 0.000 1.220 491 L HN 0.753 nan 8.230 nan 0.000 0.423 492 Q N 4.549 124.328 119.800 -0.036 0.000 2.421 492 Q HA 0.637 4.978 4.340 0.001 0.000 0.242 492 Q C -0.311 175.655 176.000 -0.056 0.000 1.024 492 Q CA 0.419 56.202 55.803 -0.033 0.000 0.891 492 Q CB 1.220 29.957 28.738 -0.002 0.000 1.222 492 Q HN 0.693 nan 8.270 nan 0.000 0.483 493 A N 3.263 126.039 122.820 -0.073 0.000 2.610 493 A HA 0.384 4.705 4.320 0.001 0.000 0.291 493 A C 0.004 177.516 177.584 -0.120 0.000 1.116 493 A CA -0.442 51.540 52.037 -0.092 0.000 0.963 493 A CB 0.384 19.337 19.000 -0.078 0.000 1.220 493 A HN 0.580 nan 8.150 nan 0.000 0.530 494 S N 1.421 117.038 115.700 -0.138 0.000 2.576 494 S HA 0.273 4.744 4.470 0.001 0.000 0.272 494 S C -0.055 174.378 174.600 -0.279 0.000 1.352 494 S CA 0.134 58.231 58.200 -0.172 0.000 1.021 494 S CB 0.135 63.239 63.200 -0.159 0.000 0.887 494 S HN 0.559 nan 8.310 nan 0.000 0.542 495 D N 1.473 121.723 120.400 -0.251 0.000 2.760 495 D HA -0.131 4.510 4.640 0.001 0.000 0.244 495 D C -0.244 175.921 176.300 -0.226 0.000 1.123 495 D CA 0.700 54.524 54.000 -0.293 0.000 0.719 495 D CB -1.109 39.313 40.800 -0.631 0.000 1.045 495 D HN 0.482 nan 8.370 nan 0.000 0.426 496 N N -0.640 117.973 118.700 -0.146 0.000 3.513 496 N HA 0.615 5.356 4.740 0.001 0.000 0.351 496 N C -0.268 175.195 175.510 -0.078 0.000 1.624 496 N CA -0.257 52.729 53.050 -0.107 0.000 0.712 496 N CB 0.928 39.352 38.487 -0.105 0.000 2.106 496 N HN 0.053 nan 8.380 nan 0.000 0.649 497 A N 0.834 123.615 122.820 -0.066 0.000 2.793 497 A HA 0.398 4.719 4.320 0.001 0.000 0.301 497 A C -0.115 177.438 177.584 -0.051 0.000 1.172 497 A CA -0.313 51.693 52.037 -0.053 0.000 0.973 497 A CB -0.599 18.373 19.000 -0.047 0.000 1.164 497 A HN 0.387 nan 8.150 nan 0.000 0.542 498 L N 1.054 122.243 121.223 -0.057 0.000 2.455 498 L HA 0.119 4.460 4.340 0.001 0.000 0.272 498 L C 1.350 178.194 176.870 -0.044 0.000 1.174 498 L CA 0.190 54.999 54.840 -0.052 0.000 0.869 498 L CB 0.665 42.690 42.059 -0.057 0.000 1.130 498 L HN 0.734 nan 8.230 nan 0.000 0.474 499 E N 1.494 121.670 120.200 -0.039 0.000 2.630 499 E HA 0.139 4.490 4.350 0.001 0.000 0.218 499 E C -0.203 176.378 176.600 -0.032 0.000 0.977 499 E CA -0.371 56.009 56.400 -0.034 0.000 1.038 499 E CB 0.651 30.333 29.700 -0.030 0.000 1.051 499 E HN 0.538 nan 8.360 nan 0.000 0.487 500 N N 0.953 119.631 118.700 -0.035 0.000 2.406 500 N HA 0.104 4.845 4.740 0.001 0.000 0.283 500 N C -0.819 174.668 175.510 -0.038 0.000 1.074 500 N CA -0.494 52.536 53.050 -0.033 0.000 0.916 500 N CB 2.566 41.034 38.487 -0.031 0.000 1.639 500 N HN 0.047 nan 8.380 nan 0.000 0.485 501 V N -0.043 119.850 119.914 -0.036 0.000 2.841 501 V HA 0.441 4.562 4.120 0.001 0.000 0.363 501 V C 0.243 176.315 176.094 -0.038 0.000 1.330 501 V CA -0.369 61.907 62.300 -0.039 0.000 1.207 501 V CB 0.507 32.306 31.823 -0.040 0.000 1.318 501 V HN 0.368 nan 8.190 nan 0.000 0.603 502 D N 2.918 123.297 120.400 -0.035 0.000 2.144 502 D HA -0.024 4.617 4.640 0.001 0.000 0.200 502 D C 2.176 178.454 176.300 -0.037 0.000 0.978 502 D CA 1.975 55.955 54.000 -0.033 0.000 0.833 502 D CB -0.112 40.670 40.800 -0.030 0.000 0.961 502 D HN 0.627 nan 8.370 nan 0.000 0.470 503 G N 0.244 109.020 108.800 -0.040 0.000 2.776 503 G HA2 -0.062 3.899 3.960 0.001 0.000 0.209 503 G HA3 -0.062 3.899 3.960 0.001 0.000 0.209 503 G C 1.522 176.394 174.900 -0.048 0.000 1.145 503 G CA -0.047 45.026 45.100 -0.044 0.000 0.791 503 G HN 0.186 nan 8.290 nan 0.000 0.530 504 V N 0.695 120.581 119.914 -0.047 0.000 3.041 504 V HA 0.200 4.321 4.120 0.001 0.000 0.260 504 V C 2.074 178.141 176.094 -0.045 0.000 1.105 504 V CA 0.650 62.921 62.300 -0.049 0.000 1.125 504 V CB -0.495 31.300 31.823 -0.047 0.000 0.730 504 V HN 0.491 nan 8.190 nan 0.000 0.479 505 A N 0.461 123.256 122.820 -0.041 0.000 2.466 505 A HA 0.218 4.539 4.320 0.001 0.000 0.238 505 A C 1.150 178.710 177.584 -0.040 0.000 1.074 505 A CA 0.272 52.287 52.037 -0.037 0.000 0.774 505 A CB -0.156 18.824 19.000 -0.033 0.000 1.015 505 A HN 0.637 nan 8.150 nan 0.000 0.498 506 N N -1.299 117.379 118.700 -0.036 0.000 2.713 506 N HA -0.154 4.587 4.740 0.001 0.000 0.251 506 N C -0.539 174.948 175.510 -0.039 0.000 1.117 506 N CA 1.056 54.085 53.050 -0.035 0.000 0.770 506 N CB -1.456 37.007 38.487 -0.039 0.000 1.137 506 N HN 0.639 nan 8.380 nan 0.000 0.566 507 L N 2.238 123.435 121.223 -0.043 0.000 2.385 507 L HA 0.111 4.452 4.340 0.001 0.000 0.281 507 L C -0.502 176.342 176.870 -0.043 0.000 1.106 507 L CA -1.079 53.732 54.840 -0.050 0.000 0.856 507 L CB 0.780 42.803 42.059 -0.059 0.000 1.186 507 L HN -0.095 nan 8.230 nan 0.000 0.453 508 P HA -0.071 nan 4.420 nan 0.000 0.225 508 P C 0.707 177.990 177.300 -0.030 0.000 1.156 508 P CA 0.931 64.015 63.100 -0.026 0.000 0.787 508 P CB 0.350 32.042 31.700 -0.014 0.000 0.802 509 R N -0.965 119.508 120.500 -0.045 0.000 2.476 509 R HA 0.231 4.572 4.340 0.001 0.000 0.276 509 R C 0.559 176.820 176.300 -0.065 0.000 0.941 509 R CA -0.666 55.405 56.100 -0.047 0.000 1.088 509 R CB -0.447 29.820 30.300 -0.054 0.000 1.216 509 R HN 0.161 nan 8.270 nan 0.000 0.533 510 L N 2.666 123.847 121.223 -0.069 0.000 2.597 510 L HA -0.006 4.335 4.340 0.001 0.000 0.271 510 L C 1.059 177.893 176.870 -0.061 0.000 1.157 510 L CA 0.824 55.618 54.840 -0.078 0.000 0.928 510 L CB 0.570 42.587 42.059 -0.070 0.000 1.216 510 L HN 0.083 nan 8.230 nan 0.000 0.481 511 Q N 2.941 122.701 119.800 -0.066 0.000 2.387 511 Q HA 0.187 4.528 4.340 0.001 0.000 0.212 511 Q C -0.302 175.673 176.000 -0.042 0.000 0.925 511 Q CA 0.556 56.331 55.803 -0.047 0.000 0.901 511 Q CB 0.549 29.261 28.738 -0.043 0.000 1.020 511 Q HN 0.675 nan 8.270 nan 0.000 0.545 512 E N 1.212 121.380 120.200 -0.054 0.000 2.155 512 E HA 0.308 4.659 4.350 0.001 0.000 0.264 512 E C -1.535 175.037 176.600 -0.047 0.000 0.886 512 E CA -0.436 55.940 56.400 -0.041 0.000 0.752 512 E CB 1.799 31.480 29.700 -0.031 0.000 1.133 512 E HN -0.073 nan 8.360 nan 0.000 0.414 513 L N 5.385 126.584 121.223 -0.040 0.000 2.337 513 L HA 0.331 4.671 4.340 0.001 0.000 0.269 513 L C -1.433 175.414 176.870 -0.038 0.000 1.018 513 L CA -0.415 54.399 54.840 -0.043 0.000 0.876 513 L CB 0.576 42.609 42.059 -0.043 0.000 1.236 513 L HN 0.475 nan 8.230 nan 0.000 0.436 514 L N 6.231 127.431 121.223 -0.039 0.000 2.255 514 L HA 0.385 4.726 4.340 0.001 0.000 0.289 514 L C 0.054 176.892 176.870 -0.053 0.000 1.046 514 L CA -0.189 54.627 54.840 -0.039 0.000 0.816 514 L CB 0.707 42.747 42.059 -0.031 0.000 1.197 514 L HN 0.544 nan 8.230 nan 0.000 0.427 515 L N 2.974 124.166 121.223 -0.051 0.000 3.168 515 L HA 0.305 4.646 4.340 0.001 0.000 0.277 515 L C -0.197 176.638 176.870 -0.058 0.000 1.308 515 L CA -0.311 54.494 54.840 -0.058 0.000 0.976 515 L CB 0.542 42.571 42.059 -0.050 0.000 1.383 515 L HN 0.635 nan 8.230 nan 0.000 0.572 516 C N 0.542 119.805 119.300 -0.063 0.000 2.652 516 C HA 0.115 4.576 4.460 0.001 0.000 0.412 516 C C 1.132 176.080 174.990 -0.070 0.000 1.294 516 C CA -0.269 58.715 59.018 -0.057 0.000 2.127 516 C CB -0.593 27.117 27.740 -0.051 0.000 2.691 516 C HN 0.836 nan 8.230 nan 0.000 0.615 517 N N 2.374 121.042 118.700 -0.054 0.000 2.648 517 N HA -0.181 4.560 4.740 0.001 0.000 0.265 517 N C -0.929 174.541 175.510 -0.067 0.000 1.100 517 N CA 0.321 53.338 53.050 -0.055 0.000 0.715 517 N CB -1.055 37.397 38.487 -0.058 0.000 0.881 517 N HN 0.828 nan 8.380 nan 0.000 0.548 518 N N -0.357 118.310 118.700 -0.055 0.000 3.387 518 N HA 0.477 5.218 4.740 0.001 0.000 0.322 518 N C -0.626 174.858 175.510 -0.043 0.000 1.588 518 N CA -0.864 52.152 53.050 -0.056 0.000 0.778 518 N CB 1.095 39.546 38.487 -0.060 0.000 1.883 518 N HN 0.131 nan 8.380 nan 0.000 0.628 519 R N 0.739 121.215 120.500 -0.040 0.000 2.903 519 R HA 0.347 4.688 4.340 0.001 0.000 0.363 519 R C -1.012 175.270 176.300 -0.030 0.000 1.161 519 R CA -0.489 55.592 56.100 -0.033 0.000 1.109 519 R CB 0.206 30.488 30.300 -0.031 0.000 1.399 519 R HN 0.180 nan 8.270 nan 0.000 0.587 520 L N 1.961 123.166 121.223 -0.031 0.000 2.363 520 L HA 0.118 4.459 4.340 0.001 0.000 0.286 520 L C 1.396 178.252 176.870 -0.023 0.000 1.106 520 L CA 0.797 55.621 54.840 -0.028 0.000 0.859 520 L CB 0.705 42.746 42.059 -0.030 0.000 1.223 520 L HN 0.382 nan 8.230 nan 0.000 0.446 521 Q N 2.032 121.820 119.800 -0.021 0.000 2.036 521 Q HA 0.001 4.342 4.340 0.001 0.000 0.195 521 Q C 0.321 176.312 176.000 -0.016 0.000 0.971 521 Q CA 1.071 56.864 55.803 -0.018 0.000 0.826 521 Q CB 0.458 29.186 28.738 -0.017 0.000 0.896 521 Q HN 0.614 nan 8.270 nan 0.000 0.449 522 Q N 0.081 119.871 119.800 -0.016 0.000 2.263 522 Q HA 0.168 4.509 4.340 0.001 0.000 0.337 522 Q C -0.282 175.710 176.000 -0.014 0.000 0.906 522 Q CA -0.203 55.591 55.803 -0.014 0.000 1.124 522 Q CB 1.051 29.781 28.738 -0.013 0.000 1.255 522 Q HN 0.296 nan 8.270 nan 0.000 0.435 523 S N 0.578 116.269 115.700 -0.015 0.000 3.736 523 S HA -0.457 4.014 4.470 0.001 0.000 0.627 523 S C 1.296 175.887 174.600 -0.016 0.000 2.426 523 S CA 2.473 60.664 58.200 -0.015 0.000 4.022 523 S CB -1.225 61.967 63.200 -0.013 0.000 0.237 523 S HN 1.132 nan 8.310 nan 0.000 0.967 524 A N -0.686 122.125 122.820 -0.015 0.000 2.088 524 A HA -0.334 3.987 4.320 0.001 0.000 0.227 524 A C 2.391 179.965 177.584 -0.016 0.000 0.384 524 A CA 3.807 55.835 52.037 -0.014 0.000 1.099 524 A CB -2.511 16.481 19.000 -0.013 0.000 1.442 524 A HN 2.428 nan 8.150 nan 0.000 0.703 525 A N -1.292 121.517 122.820 -0.018 0.000 2.178 525 A HA 0.201 4.522 4.320 0.001 0.000 0.218 525 A C 1.660 179.230 177.584 -0.023 0.000 1.157 525 A CA 1.675 53.699 52.037 -0.021 0.000 0.689 525 A CB -0.504 18.483 19.000 -0.023 0.000 0.787 525 A HN 0.831 nan 8.150 nan 0.000 0.465 526 I N -0.851 119.706 120.570 -0.021 0.000 3.603 526 I HA -0.054 4.117 4.170 0.001 0.000 0.297 526 I C 2.204 178.309 176.117 -0.020 0.000 1.269 526 I CA 0.774 62.060 61.300 -0.022 0.000 1.361 526 I CB -1.097 36.891 38.000 -0.020 0.000 1.063 526 I HN 0.332 nan 8.210 nan 0.000 0.448 527 Q N 2.496 122.285 119.800 -0.018 0.000 2.077 527 Q HA -0.161 4.180 4.340 0.001 0.000 0.206 527 Q C -0.698 175.291 176.000 -0.018 0.000 0.989 527 Q CA 2.354 58.147 55.803 -0.017 0.000 0.853 527 Q CB -1.462 27.267 28.738 -0.015 0.000 0.907 527 Q HN 0.242 nan 8.270 nan 0.000 0.418 528 P HA -0.117 nan 4.420 nan 0.000 0.221 528 P C 0.464 177.749 177.300 -0.024 0.000 1.145 528 P CA 0.966 64.053 63.100 -0.022 0.000 0.795 528 P CB -0.128 31.557 31.700 -0.025 0.000 0.775 529 L N -1.415 119.793 121.223 -0.024 0.000 2.633 529 L HA -0.054 4.287 4.340 0.001 0.000 0.235 529 L C 2.196 179.052 176.870 -0.022 0.000 1.163 529 L CA 0.450 55.275 54.840 -0.025 0.000 0.859 529 L CB -0.798 41.246 42.059 -0.026 0.000 0.973 529 L HN -0.054 nan 8.230 nan 0.000 0.451 530 V N 0.206 120.108 119.914 -0.019 0.000 2.594 530 V HA -0.213 3.908 4.120 0.001 0.000 0.253 530 V C 2.297 178.381 176.094 -0.016 0.000 1.069 530 V CA 2.094 64.384 62.300 -0.016 0.000 1.082 530 V CB 0.004 31.819 31.823 -0.014 0.000 0.680 530 V HN 0.677 nan 8.190 nan 0.000 0.469 531 S N -2.117 113.572 115.700 -0.019 0.000 2.605 531 S HA 0.095 4.566 4.470 0.001 0.000 0.217 531 S C 0.609 175.196 174.600 -0.021 0.000 0.958 531 S CA -0.052 58.137 58.200 -0.019 0.000 0.919 531 S CB -0.881 62.307 63.200 -0.020 0.000 0.780 531 S HN 0.526 nan 8.310 nan 0.000 0.507 532 C N 4.606 123.893 119.300 -0.023 0.000 2.158 532 C HA 0.423 4.884 4.460 0.001 0.000 0.350 532 C C -0.840 174.137 174.990 -0.022 0.000 1.064 532 C CA -1.409 57.594 59.018 -0.026 0.000 1.507 532 C CB -0.012 27.710 27.740 -0.029 0.000 1.934 532 C HN 0.480 nan 8.230 nan 0.000 0.479 533 P HA -0.106 nan 4.420 nan 0.000 0.219 533 P C 1.183 178.474 177.300 -0.015 0.000 1.146 533 P CA 1.257 64.348 63.100 -0.015 0.000 0.808 533 P CB 0.254 31.946 31.700 -0.012 0.000 0.779 534 R N -1.888 118.600 120.500 -0.019 0.000 2.437 534 R HA 0.251 4.592 4.340 0.001 0.000 0.257 534 R C 0.223 176.510 176.300 -0.022 0.000 0.927 534 R CA -0.911 55.177 56.100 -0.019 0.000 1.078 534 R CB -1.082 29.205 30.300 -0.022 0.000 1.161 534 R HN 0.125 nan 8.270 nan 0.000 0.529 535 L N 0.364 121.573 121.223 -0.024 0.000 2.499 535 L HA 0.043 4.384 4.340 0.001 0.000 0.273 535 L C 0.786 177.643 176.870 -0.020 0.000 1.195 535 L CA 0.644 55.468 54.840 -0.026 0.000 0.882 535 L CB 1.085 43.128 42.059 -0.027 0.000 1.133 535 L HN -0.013 nan 8.230 nan 0.000 0.483 536 V N 5.364 125.267 119.914 -0.020 0.000 3.480 536 V HA 0.273 4.393 4.120 0.001 0.000 0.263 536 V C -0.408 175.678 176.094 -0.013 0.000 1.442 536 V CA -0.022 62.270 62.300 -0.014 0.000 1.053 536 V CB 0.975 32.791 31.823 -0.011 0.000 0.846 536 V HN 0.638 nan 8.190 nan 0.000 0.440 537 L N 1.288 122.501 121.223 -0.016 0.000 2.504 537 L HA 0.635 4.976 4.340 0.001 0.000 0.265 537 L C -1.382 175.476 176.870 -0.019 0.000 0.975 537 L CA -0.440 54.392 54.840 -0.015 0.000 0.864 537 L CB 1.650 43.703 42.059 -0.011 0.000 1.212 537 L HN 0.080 nan 8.230 nan 0.000 0.416 538 L N 4.954 126.166 121.223 -0.019 0.000 2.277 538 L HA 0.527 4.868 4.340 0.001 0.000 0.284 538 L C -0.694 176.164 176.870 -0.020 0.000 1.028 538 L CA 0.130 54.957 54.840 -0.022 0.000 0.835 538 L CB 1.049 43.095 42.059 -0.022 0.000 1.215 538 L HN 0.742 nan 8.230 nan 0.000 0.425 539 N N 4.719 123.405 118.700 -0.023 0.000 2.485 539 N HA 0.314 5.055 4.740 0.001 0.000 0.243 539 N C 0.038 175.532 175.510 -0.026 0.000 0.987 539 N CA -0.370 52.667 53.050 -0.022 0.000 0.940 539 N CB 0.689 39.164 38.487 -0.020 0.000 1.122 539 N HN 0.754 nan 8.380 nan 0.000 0.509 540 L N 2.370 123.579 121.223 -0.024 0.000 2.818 540 L HA 0.199 4.539 4.340 0.001 0.000 0.243 540 L C 0.352 177.207 176.870 -0.024 0.000 1.185 540 L CA -0.096 54.729 54.840 -0.026 0.000 0.988 540 L CB 0.163 42.208 42.059 -0.023 0.000 1.292 540 L HN 0.512 nan 8.230 nan 0.000 0.519 541 Q N 0.317 120.103 119.800 -0.022 0.000 2.311 541 Q HA 0.289 4.630 4.340 0.001 0.000 0.272 541 Q C 1.132 177.118 176.000 -0.023 0.000 1.012 541 Q CA 0.875 56.666 55.803 -0.019 0.000 0.891 541 Q CB 0.816 29.545 28.738 -0.015 0.000 1.201 541 Q HN 0.392 nan 8.270 nan 0.000 0.391 542 G N 2.692 111.480 108.800 -0.019 0.000 2.176 542 G HA2 -0.226 3.734 3.960 0.001 0.000 0.232 542 G HA3 -0.226 3.734 3.960 0.001 0.000 0.232 542 G C -0.255 174.631 174.900 -0.023 0.000 0.986 542 G CA -0.228 44.860 45.100 -0.021 0.000 0.643 542 G HN 0.617 nan 8.290 nan 0.000 0.522 543 N N 0.159 118.845 118.700 -0.024 0.000 2.492 543 N HA 0.518 5.258 4.740 0.001 0.000 0.289 543 N C 1.172 176.670 175.510 -0.019 0.000 1.133 543 N CA 0.235 53.271 53.050 -0.024 0.000 0.961 543 N CB 1.480 39.951 38.487 -0.027 0.000 1.186 543 N HN 0.243 nan 8.380 nan 0.000 0.493 544 S N 0.956 116.645 115.700 -0.019 0.000 2.607 544 S HA -0.023 4.447 4.470 0.001 0.000 0.224 544 S C 1.338 175.929 174.600 -0.015 0.000 0.969 544 S CA 0.002 58.193 58.200 -0.015 0.000 0.927 544 S CB -0.650 62.541 63.200 -0.015 0.000 0.772 544 S HN 0.619 nan 8.310 nan 0.000 0.533 545 L N -1.189 120.024 121.223 -0.016 0.000 2.395 545 L HA 0.176 4.517 4.340 0.001 0.000 0.218 545 L C 1.859 178.721 176.870 -0.014 0.000 1.130 545 L CA 0.607 55.438 54.840 -0.015 0.000 0.826 545 L CB -1.531 40.518 42.059 -0.017 0.000 0.941 545 L HN 0.319 nan 8.230 nan 0.000 0.451 546 C N 0.897 120.189 119.300 -0.014 0.000 2.432 546 C HA -0.019 4.442 4.460 0.001 0.000 0.282 546 C C 2.325 177.309 174.990 -0.010 0.000 1.388 546 C CA 0.208 59.218 59.018 -0.012 0.000 1.777 546 C CB -0.710 27.023 27.740 -0.013 0.000 1.882 546 C HN 0.636 nan 8.230 nan 0.000 0.520 547 Q N 0.879 120.673 119.800 -0.010 0.000 2.280 547 Q HA 0.133 4.474 4.340 0.001 0.000 0.202 547 Q C 1.119 177.114 176.000 -0.008 0.000 0.903 547 Q CA 0.138 55.936 55.803 -0.009 0.000 0.948 547 Q CB 0.009 28.742 28.738 -0.008 0.000 1.058 547 Q HN 0.750 nan 8.270 nan 0.000 0.493 548 E N 1.551 121.746 120.200 -0.009 0.000 4.034 548 E HA -0.080 4.271 4.350 0.001 0.000 0.567 548 E C 0.398 176.993 176.600 -0.008 0.000 0.339 548 E CA 0.218 56.613 56.400 -0.009 0.000 3.626 548 E CB 0.471 30.165 29.700 -0.010 0.000 2.218 548 E HN 0.234 nan 8.360 nan 0.000 0.331 549 E N -0.978 119.217 120.200 -0.007 0.000 3.994 549 E HA 0.110 4.461 4.350 0.001 0.000 0.569 549 E C 0.973 177.569 176.600 -0.006 0.000 0.320 549 E CA 0.188 56.584 56.400 -0.006 0.000 3.540 549 E CB -0.200 29.496 29.700 -0.006 0.000 2.366 549 E HN 0.471 nan 8.360 nan 0.000 0.353 550 G N 0.444 109.240 108.800 -0.006 0.000 3.374 550 G HA2 -0.001 3.960 3.960 0.001 0.000 0.252 550 G HA3 -0.001 3.960 3.960 0.001 0.000 0.252 550 G C 0.941 175.837 174.900 -0.006 0.000 1.326 550 G CA -0.090 45.006 45.100 -0.006 0.000 1.133 550 G HN 0.365 nan 8.290 nan 0.000 0.528 551 I N 0.103 120.669 120.570 -0.007 0.000 2.811 551 I HA -0.424 3.747 4.170 0.001 0.000 0.229 551 I C 2.058 178.170 176.117 -0.008 0.000 0.854 551 I CA 2.244 63.539 61.300 -0.008 0.000 1.230 551 I CB 0.001 37.995 38.000 -0.009 0.000 0.953 551 I HN 0.424 nan 8.210 nan 0.000 0.389 552 Q N 0.128 119.924 119.800 -0.008 0.000 2.536 552 Q HA -0.175 4.166 4.340 0.001 0.000 0.207 552 Q C 1.238 177.234 176.000 -0.007 0.000 0.940 552 Q CA 1.147 56.946 55.803 -0.007 0.000 1.020 552 Q CB -0.207 28.527 28.738 -0.007 0.000 1.019 552 Q HN 0.845 nan 8.270 nan 0.000 0.554 553 E N -1.921 118.274 120.200 -0.007 0.000 2.629 553 E HA -0.063 4.288 4.350 0.001 0.000 0.196 553 E C 1.282 177.878 176.600 -0.007 0.000 0.977 553 E CA -0.241 56.156 56.400 -0.006 0.000 1.663 553 E CB -0.526 29.171 29.700 -0.005 0.000 2.258 553 E HN 0.204 nan 8.360 nan 0.000 1.079 554 R N 1.178 121.673 120.500 -0.007 0.000 2.081 554 R HA 0.090 4.431 4.340 0.001 0.000 0.235 554 R C 2.461 178.756 176.300 -0.008 0.000 1.131 554 R CA 1.531 57.627 56.100 -0.008 0.000 0.960 554 R CB -0.155 30.140 30.300 -0.008 0.000 0.856 554 R HN 0.200 nan 8.270 nan 0.000 0.436 555 L N -0.314 120.903 121.223 -0.009 0.000 2.217 555 L HA -0.022 4.319 4.340 0.001 0.000 0.211 555 L C 2.428 179.292 176.870 -0.010 0.000 1.107 555 L CA 0.833 55.667 54.840 -0.010 0.000 0.783 555 L CB -0.305 41.748 42.059 -0.012 0.000 0.919 555 L HN 0.309 nan 8.230 nan 0.000 0.442 556 A N -0.384 122.431 122.820 -0.008 0.000 2.014 556 A HA -0.120 4.201 4.320 0.001 0.000 0.218 556 A C 2.069 179.649 177.584 -0.007 0.000 1.163 556 A CA 1.006 53.039 52.037 -0.008 0.000 0.652 556 A CB -0.148 18.848 19.000 -0.006 0.000 0.808 556 A HN 0.404 nan 8.150 nan 0.000 0.449 557 E N -1.130 119.065 120.200 -0.007 0.000 2.400 557 E HA 0.044 4.395 4.350 0.001 0.000 0.195 557 E C 1.808 178.404 176.600 -0.007 0.000 1.012 557 E CA 0.315 56.711 56.400 -0.007 0.000 0.875 557 E CB -0.070 29.627 29.700 -0.006 0.000 0.859 557 E HN 0.696 nan 8.360 nan 0.000 0.498 558 M N 0.319 119.914 119.600 -0.009 0.000 2.288 558 M HA 0.006 4.487 4.480 0.001 0.000 0.266 558 M C 0.565 176.859 176.300 -0.010 0.000 1.072 558 M CA 1.197 56.491 55.300 -0.010 0.000 1.132 558 M CB 0.537 33.130 32.600 -0.011 0.000 1.386 558 M HN -0.022 nan 8.290 nan 0.000 0.432 559 L N 0.465 121.682 121.223 -0.010 0.000 2.861 559 L HA 0.247 4.588 4.340 0.001 0.000 0.290 559 L C -1.930 174.934 176.870 -0.010 0.000 1.346 559 L CA -0.966 53.868 54.840 -0.011 0.000 0.779 559 L CB 0.317 42.368 42.059 -0.013 0.000 1.143 559 L HN 0.010 nan 8.230 nan 0.000 0.548 560 P HA -0.123 nan 4.420 nan 0.000 0.218 560 P C 1.286 178.582 177.300 -0.007 0.000 1.148 560 P CA 1.245 64.341 63.100 -0.007 0.000 0.822 560 P CB 0.394 32.091 31.700 -0.006 0.000 0.784 561 S N -0.823 114.872 115.700 -0.008 0.000 2.522 561 S HA 0.039 4.510 4.470 0.001 0.000 0.227 561 S C 0.970 175.565 174.600 -0.009 0.000 0.986 561 S CA 0.140 58.336 58.200 -0.008 0.000 0.929 561 S CB -0.415 62.780 63.200 -0.008 0.000 0.769 561 S HN -0.031 nan 8.310 nan 0.000 0.529 562 V N 2.403 122.311 119.914 -0.010 0.000 2.408 562 V HA 0.195 4.315 4.120 0.001 0.000 0.267 562 V C 0.959 177.048 176.094 -0.009 0.000 1.047 562 V CA -0.122 62.172 62.300 -0.011 0.000 0.937 562 V CB 1.262 33.077 31.823 -0.014 0.000 0.999 562 V HN 0.241 nan 8.190 nan 0.000 0.472 563 S N 2.824 118.519 115.700 -0.008 0.000 2.387 563 S HA -0.057 4.414 4.470 0.001 0.000 0.226 563 S C 0.990 175.587 174.600 -0.006 0.000 1.026 563 S CA 1.170 59.367 58.200 -0.006 0.000 0.972 563 S CB 0.106 63.303 63.200 -0.005 0.000 0.814 563 S HN 0.765 nan 8.310 nan 0.000 0.477 564 S N 0.725 116.421 115.700 -0.007 0.000 2.779 564 S HA 0.542 5.012 4.470 0.001 0.000 0.293 564 S C -1.015 173.580 174.600 -0.010 0.000 1.150 564 S CA -0.745 57.451 58.200 -0.007 0.000 1.057 564 S CB 0.214 63.411 63.200 -0.006 0.000 1.021 564 S HN 0.234 nan 8.310 nan 0.000 0.485 565 I N 5.958 126.522 120.570 -0.010 0.000 2.359 565 I HA 0.337 4.507 4.170 0.001 0.000 0.284 565 I C -0.700 175.410 176.117 -0.011 0.000 1.018 565 I CA -0.620 60.673 61.300 -0.012 0.000 1.173 565 I CB 1.256 39.249 38.000 -0.012 0.000 1.326 565 I HN 0.481 nan 8.210 nan 0.000 0.462 566 L N 6.922 128.138 121.223 -0.012 0.000 2.255 566 L HA 0.407 4.748 4.340 0.001 0.000 0.289 566 L C 0.680 177.543 176.870 -0.012 0.000 1.046 566 L CA -0.254 54.580 54.840 -0.011 0.000 0.816 566 L CB 0.907 42.961 42.059 -0.009 0.000 1.197 566 L HN 0.611 nan 8.230 nan 0.000 0.427 567 T N 0.000 114.547 114.554 -0.011 0.000 3.816 567 T HA 0.000 4.351 4.350 0.001 0.000 0.228 567 T CA 0.000 62.093 62.100 -0.012 0.000 1.349 567 T CB 0.000 68.861 68.868 -0.012 0.000 0.612 567 T HN 0.000 nan 8.240 nan 0.000 0.658