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 2bht_1_C DATA FIRST_RESID 1 DATA SEQUENCE MSTLEQTIGN TPLVKLQRMG PDNGSEVWLK LEGNNPAGSV XDRAALSMIV DATA SEQUENCE EAEKRGRIKP GDVLIEATSG NTGIALAMIA ALKGYRMKLL MPDNMSQERR DATA SEQUENCE AAMRAYGAEL ILVTKEQGME GARDLALEMA NRGEGKLLDQ FNNPDNPKAH DATA SEQUENCE YTTTGPEIWQ QTGGRITHFV SSMGTTGTIT GVSEFMREQS KPVTIVGLQP DATA SEQUENCE EEGSSIPGIR RWPTEYLPGI FNASLVDEVL DIHQRDAENT MRELAVREGI DATA SEQUENCE FCGVSSGGAV AGALRVAKAN PDAVVVAIIC DRGDRYLSTG VF 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.305 176.300 0.009 0.000 1.140 1 M CA 0.000 55.305 55.300 0.009 0.000 0.988 1 M CB 0.000 32.605 32.600 0.008 0.000 1.302 2 S N -0.182 115.524 115.700 0.009 0.000 2.752 2 S HA 0.298 4.768 4.470 -0.000 0.000 0.242 2 S C -0.964 173.642 174.600 0.010 0.000 0.914 2 S CA 0.101 58.306 58.200 0.009 0.000 1.427 2 S CB 0.534 63.738 63.200 0.007 0.000 1.244 2 S HN 0.593 nan 8.310 nan 0.000 0.655 3 T N 1.722 116.283 114.554 0.011 0.000 2.956 3 T HA 0.396 4.746 4.350 -0.000 0.000 0.312 3 T C 0.301 175.010 174.700 0.016 0.000 1.151 3 T CA -0.476 61.632 62.100 0.013 0.000 1.024 3 T CB 1.643 70.517 68.868 0.010 0.000 1.140 3 T HN 0.043 nan 8.240 nan 0.000 0.473 4 L N 2.522 123.758 121.223 0.021 0.000 2.083 4 L HA 0.026 4.366 4.340 -0.000 0.000 0.209 4 L C 2.165 179.045 176.870 0.017 0.000 1.083 4 L CA 2.018 56.873 54.840 0.026 0.000 0.752 4 L CB -0.666 41.415 42.059 0.037 0.000 0.899 4 L HN 0.739 nan 8.230 nan 0.000 0.433 5 E N -0.742 119.465 120.200 0.012 0.000 2.065 5 E HA -0.306 4.044 4.350 -0.000 0.000 0.201 5 E C 2.184 178.784 176.600 0.001 0.000 1.016 5 E CA 1.853 58.255 56.400 0.004 0.000 0.818 5 E CB -0.263 29.439 29.700 0.003 0.000 0.749 5 E HN 0.573 nan 8.360 nan 0.000 0.453 6 Q N -0.489 119.314 119.800 0.004 0.000 2.437 6 Q HA -0.048 4.292 4.340 -0.000 0.000 0.210 6 Q C 1.090 177.092 176.000 0.003 0.000 0.972 6 Q CA 1.127 56.931 55.803 0.001 0.000 0.903 6 Q CB 0.251 28.991 28.738 0.002 0.000 0.967 6 Q HN 0.248 nan 8.270 nan 0.000 0.486 7 T N 0.028 114.587 114.554 0.009 0.000 3.129 7 T HA 0.184 4.534 4.350 -0.000 0.000 0.251 7 T C 0.625 175.332 174.700 0.013 0.000 1.117 7 T CA 0.044 62.152 62.100 0.013 0.000 1.034 7 T CB 0.217 69.098 68.868 0.021 0.000 0.968 7 T HN 0.106 nan 8.240 nan 0.000 0.526 8 I N 1.894 122.467 120.570 0.005 0.000 2.575 8 I HA 0.432 4.602 4.170 -0.000 0.000 0.285 8 I C 1.292 177.407 176.117 -0.003 0.000 1.085 8 I CA 0.216 61.518 61.300 0.002 0.000 1.403 8 I CB 0.330 38.324 38.000 -0.010 0.000 1.409 8 I HN 0.403 nan 8.210 nan 0.000 0.557 9 G N 5.098 113.901 108.800 0.005 0.000 2.796 9 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.226 9 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.226 9 G C 0.079 174.983 174.900 0.006 0.000 1.381 9 G CA -0.219 44.882 45.100 0.002 0.000 0.867 9 G HN 0.866 nan 8.290 nan 0.000 0.552 10 N N -0.882 117.820 118.700 0.002 0.000 2.783 10 N HA -0.180 4.560 4.740 -0.000 0.000 0.247 10 N C 0.598 176.122 175.510 0.025 0.000 1.089 10 N CA 2.045 55.099 53.050 0.006 0.000 0.690 10 N CB -1.589 36.899 38.487 0.001 0.000 0.991 10 N HN 1.804 nan 8.380 nan 0.000 0.552 11 T N -2.209 112.368 114.554 0.038 0.000 2.909 11 T HA 0.531 4.881 4.350 -0.000 0.000 0.286 11 T C -2.576 172.165 174.700 0.067 0.000 1.002 11 T CA -1.689 60.443 62.100 0.054 0.000 1.074 11 T CB 2.146 71.053 68.868 0.066 0.000 0.984 11 T HN -0.172 nan 8.240 nan 0.000 0.495 12 P HA 0.109 nan 4.420 nan 0.000 0.263 12 P C -0.845 176.529 177.300 0.123 0.000 1.175 12 P CA -0.216 62.938 63.100 0.090 0.000 0.761 12 P CB 0.195 31.945 31.700 0.083 0.000 0.794 13 L N 5.603 126.920 121.223 0.157 0.000 2.295 13 L HA 0.424 4.764 4.340 -0.000 0.000 0.281 13 L C -1.021 176.067 176.870 0.364 0.000 1.018 13 L CA -0.335 54.658 54.840 0.255 0.000 0.841 13 L CB 1.186 43.374 42.059 0.216 0.000 1.218 13 L HN 0.034 nan 8.230 nan 0.000 0.424 14 V N 5.886 125.971 119.914 0.286 0.000 2.487 14 V HA 0.423 4.543 4.120 -0.000 0.000 0.298 14 V C -0.165 175.899 176.094 -0.049 0.000 1.028 14 V CA -0.897 61.482 62.300 0.131 0.000 0.860 14 V CB 1.969 33.826 31.823 0.056 0.000 0.991 14 V HN 0.755 nan 8.190 nan 0.000 0.427 15 K N 5.438 125.534 120.400 -0.508 0.000 2.219 15 K HA 0.418 4.738 4.320 -0.000 0.000 0.258 15 K C -0.398 175.949 176.600 -0.421 0.000 1.008 15 K CA -0.502 55.238 56.287 -0.912 0.000 0.928 15 K CB 1.182 32.726 32.500 -1.593 0.000 0.983 15 K HN 0.433 nan 8.250 nan 0.000 0.484 16 L N 1.472 122.487 121.223 -0.348 0.000 2.436 16 L HA -0.008 4.332 4.340 -0.000 0.000 0.265 16 L C 1.422 178.180 176.870 -0.187 0.000 1.168 16 L CA -0.006 54.720 54.840 -0.190 0.000 0.815 16 L CB 0.931 42.917 42.059 -0.122 0.000 1.109 16 L HN 0.758 nan 8.230 nan 0.000 0.462 17 Q N 1.042 120.770 119.800 -0.119 0.000 2.519 17 Q HA 0.141 4.481 4.340 -0.000 0.000 0.248 17 Q C 1.625 177.586 176.000 -0.065 0.000 0.804 17 Q CA -0.067 55.677 55.803 -0.099 0.000 0.979 17 Q CB 0.798 29.484 28.738 -0.087 0.000 1.282 17 Q HN 0.611 nan 8.270 nan 0.000 0.558 18 R N 0.914 121.384 120.500 -0.050 0.000 2.023 18 R HA 0.270 4.610 4.340 -0.000 0.000 0.217 18 R C 1.501 177.782 176.300 -0.031 0.000 1.255 18 R CA 0.410 56.490 56.100 -0.034 0.000 0.981 18 R CB -0.673 29.613 30.300 -0.023 0.000 0.853 18 R HN 0.169 nan 8.270 nan 0.000 0.463 19 M N 0.257 119.841 119.600 -0.027 0.000 2.228 19 M HA 0.281 4.761 4.480 -0.000 0.000 0.303 19 M C 0.790 177.072 176.300 -0.030 0.000 1.099 19 M CA 0.919 56.206 55.300 -0.023 0.000 1.171 19 M CB 0.180 32.771 32.600 -0.016 0.000 1.412 19 M HN 0.534 nan 8.290 nan 0.000 0.447 20 G N 0.521 109.307 108.800 -0.023 0.000 2.334 20 G HA2 0.111 4.071 3.960 -0.000 0.000 0.315 20 G HA3 0.111 4.071 3.960 -0.000 0.000 0.315 20 G C -3.241 171.648 174.900 -0.019 0.000 1.284 20 G CA -1.173 43.913 45.100 -0.024 0.000 0.985 20 G HN 0.613 nan 8.290 nan 0.000 0.504 21 P HA 0.336 nan 4.420 nan 0.000 0.281 21 P C -0.662 176.633 177.300 -0.009 0.000 1.286 21 P CA -0.008 63.085 63.100 -0.012 0.000 0.772 21 P CB 0.521 32.216 31.700 -0.008 0.000 0.862 22 D N 2.256 122.651 120.400 -0.008 0.000 2.885 22 D HA 0.028 4.668 4.640 -0.000 0.000 0.234 22 D C 0.534 176.833 176.300 -0.001 0.000 1.129 22 D CA -0.342 53.655 54.000 -0.005 0.000 0.991 22 D CB -0.576 40.220 40.800 -0.006 0.000 1.137 22 D HN 0.332 nan 8.370 nan 0.000 0.459 23 N N -0.636 118.066 118.700 0.002 0.000 2.868 23 N HA 0.297 5.037 4.740 -0.000 0.000 0.185 23 N C 0.926 176.443 175.510 0.012 0.000 1.654 23 N CA -0.442 52.612 53.050 0.007 0.000 1.278 23 N CB 0.289 38.781 38.487 0.009 0.000 0.898 23 N HN 0.074 nan 8.380 nan 0.000 0.692 24 G N -0.404 108.408 108.800 0.019 0.000 5.284 24 G HA2 0.308 4.268 3.960 -0.000 0.000 0.236 24 G HA3 0.308 4.268 3.960 -0.000 0.000 0.236 24 G C -0.677 174.249 174.900 0.044 0.000 0.870 24 G CA 0.187 45.304 45.100 0.029 0.000 0.724 24 G HN 0.658 nan 8.290 nan 0.000 0.336 25 S N -0.348 115.376 115.700 0.041 0.000 2.690 25 S HA 0.764 5.234 4.470 -0.000 0.000 0.291 25 S C -0.538 174.107 174.600 0.075 0.000 1.138 25 S CA -0.720 57.518 58.200 0.064 0.000 1.013 25 S CB 2.289 65.513 63.200 0.039 0.000 1.053 25 S HN 0.203 nan 8.310 nan 0.000 0.539 26 E N 0.514 120.799 120.200 0.142 0.000 2.183 26 E HA 0.543 4.893 4.350 -0.000 0.000 0.271 26 E C -1.355 175.362 176.600 0.194 0.000 0.919 26 E CA -1.049 55.449 56.400 0.163 0.000 0.781 26 E CB 1.971 31.913 29.700 0.403 0.000 1.140 26 E HN 0.403 nan 8.360 nan 0.000 0.402 27 V N 2.983 122.934 119.914 0.061 0.000 2.347 27 V HA 0.269 4.389 4.120 -0.000 0.000 0.280 27 V C -1.040 175.081 176.094 0.044 0.000 1.021 27 V CA -0.771 61.592 62.300 0.106 0.000 0.847 27 V CB 0.043 31.888 31.823 0.037 0.000 0.990 27 V HN 0.606 nan 8.190 nan 0.000 0.444 28 W N 5.038 126.372 121.300 0.058 0.000 2.573 28 W HA 0.741 5.401 4.660 -0.000 0.000 0.326 28 W C -0.434 176.127 176.519 0.071 0.000 1.049 28 W CA -0.613 56.770 57.345 0.063 0.000 1.220 28 W CB 1.327 30.833 29.460 0.076 0.000 1.373 28 W HN 0.326 nan 8.180 nan 0.000 0.507 29 L N 3.142 124.519 121.223 0.256 0.000 2.317 29 L HA 0.536 4.876 4.340 -0.000 0.000 0.281 29 L C -0.113 176.880 176.870 0.204 0.000 1.024 29 L CA -1.268 53.684 54.840 0.186 0.000 0.810 29 L CB 1.438 43.559 42.059 0.103 0.000 1.240 29 L HN 0.239 nan 8.230 nan 0.000 0.427 30 K N 3.123 123.633 120.400 0.184 0.000 2.367 30 K HA 0.417 4.737 4.320 -0.000 0.000 0.263 30 K C -1.142 175.535 176.600 0.128 0.000 1.000 30 K CA -0.407 55.980 56.287 0.166 0.000 0.891 30 K CB 0.927 33.537 32.500 0.183 0.000 1.117 30 K HN 0.354 nan 8.250 nan 0.000 0.443 31 L N 5.059 126.347 121.223 0.109 0.000 2.422 31 L HA 0.235 4.575 4.340 -0.000 0.000 0.256 31 L C 0.376 177.294 176.870 0.081 0.000 1.202 31 L CA 0.441 55.334 54.840 0.088 0.000 1.119 31 L CB 0.543 42.650 42.059 0.081 0.000 1.383 31 L HN 0.726 nan 8.230 nan 0.000 0.411 32 E N 0.845 121.095 120.200 0.084 0.000 2.416 32 E HA 0.087 4.437 4.350 -0.000 0.000 0.189 32 E C 1.615 178.260 176.600 0.076 0.000 1.091 32 E CA 0.247 56.697 56.400 0.085 0.000 0.889 32 E CB 0.477 30.238 29.700 0.102 0.000 1.015 32 E HN 0.689 nan 8.360 nan 0.000 0.479 33 G N 1.168 110.010 108.800 0.069 0.000 2.572 33 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.216 33 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.216 33 G C 1.340 176.282 174.900 0.070 0.000 1.133 33 G CA -0.100 45.041 45.100 0.069 0.000 0.791 33 G HN 0.159 nan 8.290 nan 0.000 0.538 34 N N 1.095 119.835 118.700 0.066 0.000 2.521 34 N HA 0.020 4.760 4.740 -0.000 0.000 0.188 34 N C 0.505 176.049 175.510 0.057 0.000 1.146 34 N CA -0.068 53.018 53.050 0.061 0.000 0.893 34 N CB -0.033 38.489 38.487 0.058 0.000 0.975 34 N HN 0.221 nan 8.380 nan 0.000 0.451 35 N N 0.599 119.335 118.700 0.059 0.000 2.444 35 N HA 0.041 4.781 4.740 -0.000 0.000 0.255 35 N C -1.548 173.995 175.510 0.055 0.000 1.255 35 N CA -0.943 52.138 53.050 0.052 0.000 0.933 35 N CB 0.596 39.114 38.487 0.052 0.000 1.143 35 N HN -0.038 nan 8.380 nan 0.000 0.453 36 P HA -0.123 nan 4.420 nan 0.000 0.216 36 P C 0.437 177.787 177.300 0.084 0.000 1.153 36 P CA 1.764 64.898 63.100 0.058 0.000 0.858 36 P CB 0.222 31.946 31.700 0.041 0.000 0.789 37 A N -2.093 120.769 122.820 0.071 0.000 2.348 37 A HA 0.541 4.861 4.320 -0.000 0.000 0.224 37 A C 1.385 179.032 177.584 0.105 0.000 1.227 37 A CA 0.571 52.672 52.037 0.107 0.000 0.885 37 A CB -0.658 18.358 19.000 0.027 0.000 0.933 37 A HN 0.236 nan 8.150 nan 0.000 0.506 38 G N -0.765 108.086 108.800 0.085 0.000 2.135 38 G HA2 0.041 4.001 3.960 -0.000 0.000 0.183 38 G HA3 0.041 4.001 3.960 -0.000 0.000 0.183 38 G C 0.110 175.060 174.900 0.083 0.000 1.004 38 G CA 0.609 45.762 45.100 0.088 0.000 0.677 38 G HN 1.939 nan 8.290 nan 0.000 0.512 39 S N -2.076 113.668 115.700 0.073 0.000 2.615 39 S HA 0.814 5.284 4.470 -0.000 0.000 0.269 39 S C 0.263 174.908 174.600 0.076 0.000 1.161 39 S CA 0.379 58.624 58.200 0.076 0.000 0.817 39 S CB 1.699 64.944 63.200 0.075 0.000 1.131 39 S HN 1.888 nan 8.310 nan 0.000 0.467 43 R N 0.846 121.334 120.500 -0.019 0.000 2.075 43 R HA 0.257 4.597 4.340 -0.000 0.000 0.226 43 R C 1.977 178.189 176.300 -0.146 0.000 1.114 43 R CA 1.494 57.533 56.100 -0.102 0.000 0.972 43 R CB -0.005 30.197 30.300 -0.164 0.000 0.869 43 R HN 0.116 nan 8.270 nan 0.000 0.437 44 A N 0.831 123.595 122.820 -0.093 0.000 1.935 44 A HA 0.118 4.438 4.320 -0.000 0.000 0.214 44 A C 2.272 179.813 177.584 -0.072 0.000 1.178 44 A CA 1.001 52.989 52.037 -0.081 0.000 0.640 44 A CB -0.366 18.626 19.000 -0.013 0.000 0.825 44 A HN 0.333 nan 8.150 nan 0.000 0.447 45 A N -0.058 122.725 122.820 -0.062 0.000 1.917 45 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 45 A C 2.138 179.678 177.584 -0.075 0.000 1.182 45 A CA 1.873 53.867 52.037 -0.072 0.000 0.633 45 A CB -0.616 18.342 19.000 -0.070 0.000 0.819 45 A HN 0.727 nan 8.150 nan 0.000 0.448 46 L N -0.860 120.323 121.223 -0.066 0.000 2.072 46 L HA -0.019 4.321 4.340 -0.000 0.000 0.205 46 L C 2.563 179.397 176.870 -0.059 0.000 1.079 46 L CA 2.383 57.189 54.840 -0.057 0.000 0.752 46 L CB -0.599 41.431 42.059 -0.048 0.000 0.906 46 L HN 0.314 nan 8.230 nan 0.000 0.436 47 S N -0.789 114.868 115.700 -0.073 0.000 2.338 47 S HA -0.211 4.259 4.470 -0.000 0.000 0.218 47 S C 2.067 176.630 174.600 -0.061 0.000 1.032 47 S CA 1.783 59.942 58.200 -0.068 0.000 0.999 47 S CB -0.273 62.875 63.200 -0.087 0.000 0.905 47 S HN 0.491 nan 8.310 nan 0.000 0.439 48 M N 0.317 119.876 119.600 -0.069 0.000 2.108 48 M HA -0.157 4.323 4.480 -0.000 0.000 0.257 48 M C 2.055 178.303 176.300 -0.086 0.000 1.071 48 M CA 1.661 56.918 55.300 -0.072 0.000 1.093 48 M CB -0.466 32.086 32.600 -0.081 0.000 1.345 48 M HN 0.385 nan 8.290 nan 0.000 0.403 49 I N -1.005 119.506 120.570 -0.099 0.000 2.286 49 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 49 I C 2.140 178.217 176.117 -0.066 0.000 1.104 49 I CA 0.820 62.043 61.300 -0.129 0.000 1.397 49 I CB 0.015 37.932 38.000 -0.139 0.000 1.072 49 I HN 0.020 nan 8.210 nan 0.000 0.417 50 V N 0.548 120.441 119.914 -0.035 0.000 2.453 50 V HA -0.179 3.941 4.120 -0.000 0.000 0.247 50 V C 2.343 178.434 176.094 -0.006 0.000 1.048 50 V CA 1.468 63.765 62.300 -0.005 0.000 1.049 50 V CB -0.565 31.254 31.823 -0.007 0.000 0.672 50 V HN 0.390 nan 8.190 nan 0.000 0.457 51 E N 0.667 120.856 120.200 -0.019 0.000 2.150 51 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 51 E C 2.297 178.889 176.600 -0.013 0.000 0.985 51 E CA 1.397 57.788 56.400 -0.014 0.000 0.814 51 E CB -0.449 29.240 29.700 -0.019 0.000 0.752 51 E HN 0.577 nan 8.360 nan 0.000 0.466 52 A N 1.397 124.202 122.820 -0.025 0.000 1.929 52 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 52 A C 2.091 179.677 177.584 0.003 0.000 1.176 52 A CA 1.269 53.292 52.037 -0.024 0.000 0.628 52 A CB -0.354 18.611 19.000 -0.058 0.000 0.816 52 A HN 0.179 nan 8.150 nan 0.000 0.444 53 E N 0.023 120.236 120.200 0.022 0.000 2.031 53 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 53 E C 1.996 178.618 176.600 0.036 0.000 0.994 53 E CA 1.508 57.944 56.400 0.060 0.000 0.800 53 E CB -0.109 29.646 29.700 0.091 0.000 0.752 53 E HN 0.596 nan 8.360 nan 0.000 0.447 54 K N 0.212 120.625 120.400 0.022 0.000 2.103 54 K HA -0.135 4.185 4.320 -0.000 0.000 0.207 54 K C 2.133 178.740 176.600 0.011 0.000 1.048 54 K CA 1.043 57.339 56.287 0.014 0.000 0.930 54 K CB -0.072 32.433 32.500 0.008 0.000 0.716 54 K HN 0.042 nan 8.250 nan 0.000 0.444 55 R N -0.713 119.792 120.500 0.009 0.000 2.153 55 R HA -0.006 4.334 4.340 -0.000 0.000 0.218 55 R C 1.361 177.667 176.300 0.010 0.000 1.072 55 R CA 0.995 57.098 56.100 0.006 0.000 0.990 55 R CB 0.247 30.547 30.300 0.000 0.000 0.889 55 R HN 0.479 nan 8.270 nan 0.000 0.452 56 G N 1.041 109.851 108.800 0.017 0.000 2.184 56 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.206 56 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.206 56 G C 0.863 175.777 174.900 0.024 0.000 0.995 56 G CA 0.314 45.427 45.100 0.021 0.000 0.651 56 G HN 0.342 nan 8.290 nan 0.000 0.511 57 R N 0.884 121.395 120.500 0.018 0.000 2.092 57 R HA 0.255 4.595 4.340 -0.000 0.000 0.231 57 R C 1.383 177.700 176.300 0.028 0.000 1.119 57 R CA 1.802 57.910 56.100 0.014 0.000 0.970 57 R CB -0.234 30.065 30.300 -0.003 0.000 0.864 57 R HN 0.897 nan 8.270 nan 0.000 0.440 58 I N -2.665 117.935 120.570 0.050 0.000 2.828 58 I HA 0.562 4.732 4.170 -0.000 0.000 0.302 58 I C -1.385 174.845 176.117 0.187 0.000 1.101 58 I CA -1.377 59.992 61.300 0.115 0.000 1.031 58 I CB 2.536 40.573 38.000 0.062 0.000 1.231 58 I HN -0.174 nan 8.210 nan 0.000 0.427 59 K N 3.502 124.044 120.400 0.235 0.000 2.469 59 K HA 0.565 4.885 4.320 -0.000 0.000 0.254 59 K C -2.807 173.786 176.600 -0.012 0.000 0.939 59 K CA -1.724 54.641 56.287 0.129 0.000 0.812 59 K CB 2.506 35.033 32.500 0.045 0.000 1.301 59 K HN 0.343 nan 8.250 nan 0.000 0.433 60 P HA -0.034 nan 4.420 nan 0.000 0.262 60 P C 0.397 177.495 177.300 -0.336 0.000 1.182 60 P CA 1.089 63.764 63.100 -0.709 0.000 0.761 60 P CB 0.551 31.988 31.700 -0.439 0.000 0.795 61 G N 2.066 110.683 108.800 -0.305 0.000 2.253 61 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.209 61 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.209 61 G C -0.097 174.813 174.900 0.016 0.000 0.997 61 G CA -0.442 44.600 45.100 -0.096 0.000 0.640 61 G HN 0.488 nan 8.290 nan 0.000 0.496 62 D N 0.973 121.447 120.400 0.123 0.000 2.382 62 D HA 0.411 5.051 4.640 -0.000 0.000 0.245 62 D C 0.761 177.199 176.300 0.230 0.000 1.120 62 D CA 0.026 54.160 54.000 0.223 0.000 0.890 62 D CB 1.821 42.817 40.800 0.326 0.000 1.201 62 D HN 0.129 nan 8.370 nan 0.000 0.433 63 V N 3.973 123.963 119.914 0.126 0.000 2.470 63 V HA 0.093 4.213 4.120 -0.000 0.000 0.276 63 V C 0.461 176.595 176.094 0.066 0.000 1.040 63 V CA -0.200 62.156 62.300 0.094 0.000 1.008 63 V CB 0.131 31.989 31.823 0.058 0.000 0.990 63 V HN 0.229 nan 8.190 nan 0.000 0.477 64 L N 6.824 128.074 121.223 0.044 0.000 2.317 64 L HA 0.674 5.014 4.340 -0.000 0.000 0.281 64 L C -0.235 176.634 176.870 -0.002 0.000 1.024 64 L CA -0.493 54.337 54.840 -0.017 0.000 0.810 64 L CB 1.424 43.420 42.059 -0.104 0.000 1.240 64 L HN 0.453 nan 8.230 nan 0.000 0.427 65 I N 0.703 121.271 120.570 -0.003 0.000 2.863 65 I HA 0.681 4.851 4.170 -0.000 0.000 0.311 65 I C -0.302 175.823 176.117 0.013 0.000 1.026 65 I CA -0.746 60.562 61.300 0.013 0.000 1.077 65 I CB 2.082 40.095 38.000 0.023 0.000 1.262 65 I HN 0.575 nan 8.210 nan 0.000 0.461 66 E N 1.194 121.414 120.200 0.033 0.000 2.405 66 E HA 0.444 4.794 4.350 -0.000 0.000 0.283 66 E C -1.768 174.886 176.600 0.089 0.000 1.140 66 E CA -0.616 55.818 56.400 0.056 0.000 0.904 66 E CB 2.322 32.037 29.700 0.025 0.000 1.209 66 E HN 0.753 nan 8.360 nan 0.000 0.428 67 A N 1.019 123.932 122.820 0.156 0.000 2.304 67 A HA 0.796 5.116 4.320 -0.000 0.000 0.301 67 A C -0.134 177.600 177.584 0.248 0.000 1.132 67 A CA 0.046 52.201 52.037 0.196 0.000 0.819 67 A CB 1.508 20.639 19.000 0.217 0.000 1.094 67 A HN 0.392 nan 8.150 nan 0.000 0.492 68 T N -0.569 114.103 114.554 0.196 0.000 2.886 68 T HA 0.425 4.775 4.350 -0.000 0.000 0.330 68 T C 0.112 174.892 174.700 0.134 0.000 1.488 68 T CA 0.172 62.373 62.100 0.168 0.000 1.054 68 T CB 0.816 69.735 68.868 0.085 0.000 1.348 68 T HN 0.811 nan 8.240 nan 0.000 0.489 69 S N 1.228 117.002 115.700 0.123 0.000 2.554 69 S HA 0.533 5.003 4.470 -0.000 0.000 0.226 69 S C 1.370 175.986 174.600 0.027 0.000 0.980 69 S CA 0.246 58.488 58.200 0.069 0.000 0.939 69 S CB 0.705 63.947 63.200 0.071 0.000 0.832 69 S HN 1.419 nan 8.310 nan 0.000 0.486 70 G N 2.501 111.320 108.800 0.031 0.000 4.241 70 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.193 70 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.193 70 G C 0.650 175.563 174.900 0.021 0.000 1.789 70 G CA -0.092 45.014 45.100 0.009 0.000 1.025 70 G HN 0.279 nan 8.290 nan 0.000 0.346 71 N N 1.056 119.773 118.700 0.027 0.000 2.250 71 N HA 0.017 4.757 4.740 -0.000 0.000 0.181 71 N C 2.125 177.645 175.510 0.016 0.000 1.017 71 N CA 1.864 54.933 53.050 0.032 0.000 0.866 71 N CB -0.468 38.048 38.487 0.048 0.000 0.985 71 N HN 0.437 nan 8.380 nan 0.000 0.429 72 T N -0.012 114.548 114.554 0.009 0.000 2.867 72 T HA -0.024 4.326 4.350 -0.000 0.000 0.268 72 T C 1.887 176.573 174.700 -0.024 0.000 1.057 72 T CA 1.197 63.287 62.100 -0.017 0.000 1.136 72 T CB -0.480 68.364 68.868 -0.040 0.000 0.874 72 T HN 0.340 nan 8.240 nan 0.000 0.466 73 G N 1.763 110.562 108.800 -0.002 0.000 2.453 73 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.215 73 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.215 73 G C 1.488 176.376 174.900 -0.021 0.000 1.201 73 G CA 0.525 45.625 45.100 0.000 0.000 0.784 73 G HN 0.465 nan 8.290 nan 0.000 0.545 74 I N 1.641 122.213 120.570 0.003 0.000 2.113 74 I HA -0.344 3.826 4.170 -0.000 0.000 0.242 74 I C 3.329 179.330 176.117 -0.194 0.000 1.057 74 I CA 1.450 62.742 61.300 -0.015 0.000 1.314 74 I CB -0.344 37.703 38.000 0.078 0.000 1.022 74 I HN 0.271 nan 8.210 nan 0.000 0.408 75 A N 0.442 123.190 122.820 -0.121 0.000 1.940 75 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 75 A C 2.283 179.756 177.584 -0.185 0.000 1.176 75 A CA 1.602 53.550 52.037 -0.148 0.000 0.631 75 A CB -0.744 18.213 19.000 -0.071 0.000 0.814 75 A HN 0.423 nan 8.150 nan 0.000 0.446 76 L N -1.190 119.949 121.223 -0.140 0.000 2.095 76 L HA -0.069 4.271 4.340 -0.000 0.000 0.204 76 L C 3.102 179.894 176.870 -0.130 0.000 1.080 76 L CA 0.785 55.555 54.840 -0.116 0.000 0.759 76 L CB -0.560 41.451 42.059 -0.079 0.000 0.914 76 L HN 0.406 nan 8.230 nan 0.000 0.439 77 A N 0.233 122.964 122.820 -0.148 0.000 1.915 77 A HA -0.342 3.978 4.320 -0.000 0.000 0.220 77 A C 2.363 179.770 177.584 -0.294 0.000 1.198 77 A CA 2.612 54.563 52.037 -0.142 0.000 0.647 77 A CB -0.723 18.242 19.000 -0.058 0.000 0.825 77 A HN 0.503 nan 8.150 nan 0.000 0.456 78 M N -0.437 118.747 119.600 -0.693 0.000 2.077 78 M HA -0.100 4.380 4.480 -0.000 0.000 0.261 78 M C 1.882 178.064 176.300 -0.195 0.000 1.070 78 M CA 2.035 56.949 55.300 -0.642 0.000 1.125 78 M CB -0.384 31.755 32.600 -0.768 0.000 1.339 78 M HN 0.390 nan 8.290 nan 0.000 0.409 79 I N 1.104 121.583 120.570 -0.151 0.000 2.361 79 I HA -0.207 3.963 4.170 -0.000 0.000 0.251 79 I C 2.686 178.822 176.117 0.031 0.000 1.133 79 I CA 1.345 62.619 61.300 -0.043 0.000 1.413 79 I CB -1.292 36.681 38.000 -0.044 0.000 1.073 79 I HN 0.422 nan 8.210 nan 0.000 0.424 80 A N 0.911 123.744 122.820 0.022 0.000 1.929 80 A HA 0.019 4.339 4.320 -0.000 0.000 0.216 80 A C 2.585 180.224 177.584 0.090 0.000 1.176 80 A CA 1.463 53.568 52.037 0.113 0.000 0.628 80 A CB -0.484 18.567 19.000 0.085 0.000 0.816 80 A HN 0.399 nan 8.150 nan 0.000 0.444 81 A N -0.185 122.669 122.820 0.057 0.000 1.930 81 A HA 0.025 4.345 4.320 -0.000 0.000 0.217 81 A C 2.112 179.735 177.584 0.064 0.000 1.175 81 A CA 1.259 53.347 52.037 0.084 0.000 0.627 81 A CB -0.555 18.541 19.000 0.160 0.000 0.815 81 A HN 0.447 nan 8.150 nan 0.000 0.443 82 L N -1.631 119.623 121.223 0.051 0.000 2.079 82 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 82 L C 2.506 179.397 176.870 0.035 0.000 1.081 82 L CA 1.968 56.833 54.840 0.042 0.000 0.752 82 L CB -0.221 41.856 42.059 0.031 0.000 0.896 82 L HN 0.379 nan 8.230 nan 0.000 0.433 83 K N -1.904 118.524 120.400 0.046 0.000 2.403 83 K HA 0.230 4.550 4.320 -0.000 0.000 0.199 83 K C 0.616 177.164 176.600 -0.086 0.000 1.199 83 K CA 0.631 56.932 56.287 0.024 0.000 0.924 83 K CB 1.213 33.795 32.500 0.136 0.000 1.137 83 K HN 0.214 nan 8.250 nan 0.000 0.510 84 G N 0.884 109.636 108.800 -0.080 0.000 2.468 84 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.143 84 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.143 84 G C -1.034 173.670 174.900 -0.327 0.000 1.065 84 G CA -0.695 44.303 45.100 -0.171 0.000 0.776 84 G HN 0.059 nan 8.290 nan 0.000 0.486 85 Y N -0.977 119.324 120.300 0.002 0.000 2.528 85 Y HA 0.806 5.356 4.550 -0.000 0.000 0.335 85 Y C 0.635 176.539 175.900 0.007 0.000 1.093 85 Y CA -1.402 56.700 58.100 0.002 0.000 1.134 85 Y CB 1.439 39.896 38.460 -0.004 0.000 1.253 85 Y HN 0.128 nan 8.280 nan 0.000 0.478 86 R N 2.147 122.758 120.500 0.185 0.000 2.204 86 R HA 0.345 4.685 4.340 -0.000 0.000 0.341 86 R C -1.280 175.076 176.300 0.094 0.000 1.035 86 R CA -0.645 55.520 56.100 0.108 0.000 0.887 86 R CB -0.073 30.273 30.300 0.076 0.000 1.114 86 R HN 0.522 nan 8.270 nan 0.000 0.473 87 M N 3.427 123.073 119.600 0.077 0.000 2.146 87 M HA 0.289 4.769 4.480 -0.000 0.000 0.352 87 M C -0.574 175.752 176.300 0.044 0.000 1.343 87 M CA -0.038 55.292 55.300 0.051 0.000 1.115 87 M CB 0.646 33.271 32.600 0.042 0.000 1.657 87 M HN 0.285 nan 8.290 nan 0.000 0.471 88 K N 3.856 124.277 120.400 0.035 0.000 2.394 88 K HA 0.572 4.892 4.320 -0.000 0.000 0.260 88 K C -1.779 174.840 176.600 0.032 0.000 0.967 88 K CA -0.692 55.616 56.287 0.034 0.000 0.855 88 K CB 1.174 33.694 32.500 0.033 0.000 1.101 88 K HN 0.450 nan 8.250 nan 0.000 0.433 89 L N 4.439 125.684 121.223 0.036 0.000 2.365 89 L HA 0.517 4.857 4.340 -0.000 0.000 0.273 89 L C -1.187 175.708 176.870 0.042 0.000 1.000 89 L CA -0.690 54.173 54.840 0.039 0.000 0.819 89 L CB 1.705 43.787 42.059 0.039 0.000 1.284 89 L HN 0.523 nan 8.230 nan 0.000 0.418 90 L N 4.655 125.908 121.223 0.052 0.000 2.333 90 L HA 0.762 5.102 4.340 -0.000 0.000 0.280 90 L C -0.435 176.472 176.870 0.061 0.000 1.004 90 L CA 0.067 54.939 54.840 0.053 0.000 0.820 90 L CB 1.471 43.565 42.059 0.058 0.000 1.247 90 L HN 0.680 nan 8.230 nan 0.000 0.416 91 M N 5.629 125.256 119.600 0.046 0.000 2.421 91 M HA 0.622 5.102 4.480 -0.000 0.000 0.287 91 M C -2.833 173.481 176.300 0.023 0.000 1.183 91 M CA -1.461 53.864 55.300 0.043 0.000 0.916 91 M CB 2.877 35.499 32.600 0.037 0.000 1.701 91 M HN 0.160 nan 8.290 nan 0.000 0.470 92 P HA 0.136 nan 4.420 nan 0.000 0.272 92 P C -0.478 176.816 177.300 -0.009 0.000 1.223 92 P CA 0.061 63.159 63.100 -0.003 0.000 0.784 92 P CB 0.428 32.118 31.700 -0.017 0.000 0.923 93 D N 1.181 121.575 120.400 -0.011 0.000 2.264 93 D HA -0.181 4.459 4.640 -0.000 0.000 0.208 93 D C 0.554 176.844 176.300 -0.018 0.000 0.966 93 D CA 1.360 55.354 54.000 -0.011 0.000 0.864 93 D CB -1.281 39.514 40.800 -0.009 0.000 0.933 93 D HN 0.523 nan 8.370 nan 0.000 0.499 94 N N -1.093 117.592 118.700 -0.024 0.000 2.362 94 N HA 0.050 4.790 4.740 -0.000 0.000 0.204 94 N C -0.054 175.433 175.510 -0.037 0.000 1.166 94 N CA -0.285 52.747 53.050 -0.030 0.000 0.831 94 N CB -0.030 38.436 38.487 -0.035 0.000 1.008 94 N HN -0.047 nan 8.380 nan 0.000 0.472 95 M N 1.085 120.664 119.600 -0.035 0.000 2.288 95 M HA 0.191 4.671 4.480 -0.000 0.000 0.334 95 M C 0.641 176.910 176.300 -0.052 0.000 1.150 95 M CA -1.583 53.689 55.300 -0.047 0.000 1.118 95 M CB 1.270 33.850 32.600 -0.034 0.000 1.501 95 M HN 0.253 nan 8.290 nan 0.000 0.462 96 S N 1.790 117.441 115.700 -0.082 0.000 2.566 96 S HA 0.004 4.474 4.470 -0.000 0.000 0.280 96 S C 0.899 175.471 174.600 -0.047 0.000 1.343 96 S CA 0.122 58.274 58.200 -0.080 0.000 1.036 96 S CB 0.368 63.484 63.200 -0.140 0.000 0.866 96 S HN 0.711 nan 8.310 nan 0.000 0.526 97 Q N 1.726 121.509 119.800 -0.030 0.000 2.084 97 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 97 Q C 1.883 177.878 176.000 -0.010 0.000 0.978 97 Q CA 1.654 57.449 55.803 -0.014 0.000 0.844 97 Q CB -0.520 28.215 28.738 -0.005 0.000 0.898 97 Q HN 0.950 nan 8.270 nan 0.000 0.426 98 E N 1.218 121.410 120.200 -0.013 0.000 2.152 98 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 98 E C 2.022 178.621 176.600 -0.003 0.000 0.983 98 E CA 0.713 57.112 56.400 -0.003 0.000 0.818 98 E CB -0.224 29.480 29.700 0.005 0.000 0.758 98 E HN 0.332 nan 8.360 nan 0.000 0.467 99 R N 0.985 121.471 120.500 -0.023 0.000 2.094 99 R HA -0.094 4.246 4.340 -0.000 0.000 0.239 99 R C 2.727 179.035 176.300 0.012 0.000 1.137 99 R CA 2.323 58.415 56.100 -0.013 0.000 0.943 99 R CB -0.161 30.113 30.300 -0.044 0.000 0.850 99 R HN 0.165 nan 8.270 nan 0.000 0.433 100 R N -0.384 120.119 120.500 0.004 0.000 2.097 100 R HA -0.163 4.177 4.340 -0.000 0.000 0.236 100 R C 2.318 178.632 176.300 0.023 0.000 1.135 100 R CA 1.668 57.777 56.100 0.015 0.000 0.934 100 R CB -0.646 29.659 30.300 0.007 0.000 0.846 100 R HN 0.262 nan 8.270 nan 0.000 0.431 101 A N 1.288 124.117 122.820 0.015 0.000 1.972 101 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 101 A C 2.396 179.988 177.584 0.014 0.000 1.169 101 A CA 1.589 53.632 52.037 0.011 0.000 0.635 101 A CB -0.513 18.488 19.000 0.003 0.000 0.810 101 A HN 0.441 nan 8.150 nan 0.000 0.446 102 A N -0.495 122.344 122.820 0.031 0.000 1.858 102 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 102 A C 2.252 179.920 177.584 0.141 0.000 1.190 102 A CA 1.837 53.911 52.037 0.060 0.000 0.617 102 A CB -0.525 18.529 19.000 0.090 0.000 0.827 102 A HN 0.505 nan 8.150 nan 0.000 0.443 103 M N -0.517 119.167 119.600 0.139 0.000 2.086 103 M HA -0.168 4.312 4.480 -0.000 0.000 0.261 103 M C 2.291 178.687 176.300 0.160 0.000 1.067 103 M CA 1.658 57.063 55.300 0.174 0.000 1.116 103 M CB -0.295 32.364 32.600 0.098 0.000 1.348 103 M HN 0.376 nan 8.290 nan 0.000 0.407 104 R N 0.109 120.662 120.500 0.088 0.000 2.189 104 R HA 0.030 4.370 4.340 -0.000 0.000 0.223 104 R C 2.132 178.458 176.300 0.043 0.000 1.092 104 R CA 1.261 57.399 56.100 0.063 0.000 0.989 104 R CB -0.842 29.480 30.300 0.037 0.000 0.876 104 R HN 0.360 nan 8.270 nan 0.000 0.457 105 A N 1.083 123.906 122.820 0.005 0.000 1.972 105 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 105 A C 1.350 178.857 177.584 -0.129 0.000 1.169 105 A CA 1.034 53.016 52.037 -0.090 0.000 0.635 105 A CB -0.549 18.347 19.000 -0.174 0.000 0.810 105 A HN 0.314 nan 8.150 nan 0.000 0.446 106 Y N -0.749 119.562 120.300 0.019 0.000 2.529 106 Y HA 0.315 4.865 4.550 0.000 0.000 0.290 106 Y C 1.785 177.698 175.900 0.022 0.000 1.177 106 Y CA 0.337 58.450 58.100 0.021 0.000 1.305 106 Y CB -0.116 38.358 38.460 0.024 0.000 1.047 106 Y HN 0.455 nan 8.280 nan 0.000 0.522 107 G N -0.055 108.827 108.800 0.137 0.000 2.142 107 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.225 107 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.225 107 G C 0.146 175.100 174.900 0.090 0.000 1.015 107 G CA -0.090 45.064 45.100 0.091 0.000 0.716 107 G HN 0.603 nan 8.290 nan 0.000 0.508 108 A N -0.146 122.736 122.820 0.103 0.000 2.316 108 A HA 0.674 4.994 4.320 -0.000 0.000 0.284 108 A C 0.538 178.158 177.584 0.060 0.000 1.115 108 A CA -0.301 51.783 52.037 0.080 0.000 0.812 108 A CB 0.518 19.567 19.000 0.082 0.000 1.064 108 A HN 0.442 nan 8.150 nan 0.000 0.489 109 E N 0.869 121.098 120.200 0.049 0.000 2.354 109 E HA 0.276 4.626 4.350 -0.000 0.000 0.269 109 E C -1.108 175.515 176.600 0.038 0.000 1.036 109 E CA -0.160 56.264 56.400 0.040 0.000 0.876 109 E CB 1.211 30.932 29.700 0.035 0.000 1.009 109 E HN 0.486 nan 8.360 nan 0.000 0.416 110 L N 4.751 125.994 121.223 0.034 0.000 2.372 110 L HA 0.414 4.754 4.340 -0.000 0.000 0.273 110 L C -1.184 175.702 176.870 0.026 0.000 0.989 110 L CA -0.650 54.209 54.840 0.032 0.000 0.841 110 L CB 0.955 43.033 42.059 0.031 0.000 1.225 110 L HN 0.500 nan 8.230 nan 0.000 0.414 111 I N 5.142 125.728 120.570 0.027 0.000 2.321 111 I HA 0.256 4.426 4.170 -0.000 0.000 0.291 111 I C -0.507 175.623 176.117 0.022 0.000 0.998 111 I CA -0.454 60.860 61.300 0.023 0.000 1.227 111 I CB 1.607 39.622 38.000 0.024 0.000 1.368 111 I HN 0.328 nan 8.210 nan 0.000 0.466 112 L N 8.207 129.440 121.223 0.017 0.000 2.275 112 L HA 0.483 4.823 4.340 -0.000 0.000 0.288 112 L C 0.018 176.894 176.870 0.010 0.000 1.046 112 L CA -0.391 54.456 54.840 0.013 0.000 0.805 112 L CB 1.576 43.640 42.059 0.009 0.000 1.193 112 L HN 0.418 nan 8.230 nan 0.000 0.426 113 V N 1.378 121.297 119.914 0.008 0.000 2.716 113 V HA 0.736 4.856 4.120 -0.000 0.000 0.304 113 V C 0.605 176.697 176.094 -0.003 0.000 1.053 113 V CA -0.398 61.904 62.300 0.004 0.000 0.984 113 V CB 1.203 33.029 31.823 0.004 0.000 1.021 113 V HN 0.917 nan 8.190 nan 0.000 0.467 114 T N 0.571 115.122 114.554 -0.006 0.000 2.680 114 T HA 0.097 4.447 4.350 -0.000 0.000 0.314 114 T C 0.926 175.615 174.700 -0.017 0.000 1.045 114 T CA 0.730 62.825 62.100 -0.010 0.000 1.025 114 T CB 0.313 69.176 68.868 -0.009 0.000 1.000 114 T HN 0.987 nan 8.240 nan 0.000 0.535 115 K N 0.100 120.488 120.400 -0.020 0.000 2.288 115 K HA -0.086 4.234 4.320 -0.000 0.000 0.201 115 K C 2.241 178.820 176.600 -0.035 0.000 1.048 115 K CA 1.373 57.642 56.287 -0.029 0.000 0.956 115 K CB -0.077 32.405 32.500 -0.028 0.000 0.746 115 K HN 0.884 nan 8.250 nan 0.000 0.461 116 E N -0.430 119.752 120.200 -0.029 0.000 2.230 116 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 116 E C 1.721 178.300 176.600 -0.036 0.000 0.987 116 E CA 0.384 56.765 56.400 -0.032 0.000 0.841 116 E CB 0.018 29.705 29.700 -0.022 0.000 0.783 116 E HN 0.306 nan 8.360 nan 0.000 0.481 117 Q N 1.099 120.881 119.800 -0.030 0.000 2.079 117 Q HA 0.053 4.393 4.340 -0.000 0.000 0.200 117 Q C 1.156 177.121 176.000 -0.058 0.000 0.974 117 Q CA 0.847 56.630 55.803 -0.033 0.000 0.840 117 Q CB -0.234 28.494 28.738 -0.017 0.000 0.898 117 Q HN 0.402 nan 8.270 nan 0.000 0.430 118 G N 0.720 109.487 108.800 -0.055 0.000 2.641 118 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.254 118 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.254 118 G C 0.318 175.180 174.900 -0.062 0.000 1.315 118 G CA 0.117 45.175 45.100 -0.070 0.000 0.907 118 G HN 0.227 nan 8.290 nan 0.000 0.572 119 M N 0.415 119.976 119.600 -0.065 0.000 2.682 119 M HA 0.091 4.571 4.480 -0.000 0.000 0.235 119 M C 1.769 178.026 176.300 -0.071 0.000 1.114 119 M CA 1.352 56.648 55.300 -0.006 0.000 1.053 119 M CB -0.506 32.144 32.600 0.083 0.000 1.599 119 M HN 0.621 nan 8.290 nan 0.000 0.520 120 E N -0.217 119.857 120.200 -0.210 0.000 2.290 120 E HA 0.111 4.461 4.350 -0.000 0.000 0.199 120 E C 2.126 178.632 176.600 -0.157 0.000 0.912 120 E CA 0.681 56.796 56.400 -0.476 0.000 0.924 120 E CB -0.323 28.815 29.700 -0.937 0.000 0.901 120 E HN 0.463 nan 8.360 nan 0.000 0.487 121 G N 1.209 109.955 108.800 -0.091 0.000 2.421 121 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 121 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 121 G C 1.690 176.589 174.900 -0.002 0.000 1.171 121 G CA 0.958 46.047 45.100 -0.019 0.000 0.775 121 G HN 0.348 nan 8.290 nan 0.000 0.543 122 A N 0.727 123.541 122.820 -0.010 0.000 1.883 122 A HA -0.063 4.257 4.320 -0.000 0.000 0.217 122 A C 2.427 180.029 177.584 0.031 0.000 1.186 122 A CA 1.714 53.762 52.037 0.019 0.000 0.624 122 A CB -0.451 18.571 19.000 0.036 0.000 0.822 122 A HN 0.318 nan 8.150 nan 0.000 0.444 123 R N -0.582 119.919 120.500 0.002 0.000 2.096 123 R HA -0.122 4.218 4.340 -0.000 0.000 0.235 123 R C 1.341 177.667 176.300 0.044 0.000 1.127 123 R CA 1.565 57.668 56.100 0.005 0.000 0.968 123 R CB -0.324 29.912 30.300 -0.105 0.000 0.861 123 R HN 0.559 nan 8.270 nan 0.000 0.440 124 D N 0.388 120.824 120.400 0.060 0.000 2.213 124 D HA -0.102 4.538 4.640 -0.000 0.000 0.205 124 D C 1.834 178.159 176.300 0.041 0.000 0.961 124 D CA 0.568 54.606 54.000 0.064 0.000 0.853 124 D CB -0.039 40.816 40.800 0.091 0.000 0.967 124 D HN 0.108 nan 8.370 nan 0.000 0.496 125 L N 0.830 122.075 121.223 0.037 0.000 2.217 125 L HA 0.072 4.412 4.340 -0.000 0.000 0.211 125 L C 2.090 178.979 176.870 0.032 0.000 1.107 125 L CA 1.107 55.965 54.840 0.030 0.000 0.783 125 L CB -0.258 41.816 42.059 0.027 0.000 0.919 125 L HN -0.090 nan 8.230 nan 0.000 0.442 126 A N -0.359 122.485 122.820 0.039 0.000 1.933 126 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 126 A C 2.184 179.789 177.584 0.035 0.000 1.175 126 A CA 1.931 53.993 52.037 0.043 0.000 0.628 126 A CB -0.826 18.210 19.000 0.061 0.000 0.814 126 A HN 0.494 nan 8.150 nan 0.000 0.444 127 L N -0.281 120.962 121.223 0.033 0.000 2.209 127 L HA 0.024 4.364 4.340 -0.000 0.000 0.207 127 L C 2.155 179.036 176.870 0.017 0.000 1.094 127 L CA 2.235 57.089 54.840 0.023 0.000 0.790 127 L CB -0.381 41.689 42.059 0.018 0.000 0.932 127 L HN 0.581 nan 8.230 nan 0.000 0.447 128 E N -0.399 119.812 120.200 0.019 0.000 2.072 128 E HA -0.241 4.109 4.350 -0.000 0.000 0.191 128 E C 2.079 178.688 176.600 0.016 0.000 0.985 128 E CA 1.561 57.971 56.400 0.016 0.000 0.801 128 E CB -0.163 29.547 29.700 0.017 0.000 0.750 128 E HN 0.570 nan 8.360 nan 0.000 0.452 129 M N 0.513 120.124 119.600 0.019 0.000 2.117 129 M HA -0.137 4.343 4.480 -0.000 0.000 0.262 129 M C 2.514 178.825 176.300 0.018 0.000 1.065 129 M CA 1.585 56.897 55.300 0.019 0.000 1.114 129 M CB -0.258 32.355 32.600 0.022 0.000 1.361 129 M HN 0.208 nan 8.290 nan 0.000 0.408 130 A N 0.632 123.463 122.820 0.018 0.000 1.898 130 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 130 A C 1.890 179.482 177.584 0.012 0.000 1.181 130 A CA 1.700 53.746 52.037 0.015 0.000 0.620 130 A CB -0.716 18.293 19.000 0.015 0.000 0.819 130 A HN 0.442 nan 8.150 nan 0.000 0.442 131 N N -0.254 118.453 118.700 0.011 0.000 2.309 131 N HA -0.074 4.666 4.740 -0.000 0.000 0.182 131 N C 1.461 176.976 175.510 0.008 0.000 1.018 131 N CA 0.852 53.907 53.050 0.008 0.000 0.876 131 N CB -0.290 38.200 38.487 0.006 0.000 0.972 131 N HN 0.491 nan 8.380 nan 0.000 0.434 132 R N -0.265 120.241 120.500 0.010 0.000 2.334 132 R HA 0.149 4.489 4.340 -0.000 0.000 0.220 132 R C 0.621 176.928 176.300 0.012 0.000 0.917 132 R CA 0.282 56.388 56.100 0.010 0.000 1.073 132 R CB 0.112 30.418 30.300 0.011 0.000 1.056 132 R HN 0.122 nan 8.270 nan 0.000 0.506 133 G N 1.589 110.397 108.800 0.012 0.000 2.221 133 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.265 133 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.265 133 G C 0.201 175.111 174.900 0.017 0.000 1.041 133 G CA 0.268 45.377 45.100 0.014 0.000 0.807 133 G HN 0.488 nan 8.290 nan 0.000 0.502 134 E N 0.038 120.249 120.200 0.018 0.000 2.320 134 E HA 0.448 4.798 4.350 -0.000 0.000 0.189 134 E C 1.215 177.829 176.600 0.023 0.000 1.100 134 E CA 0.628 57.040 56.400 0.020 0.000 1.009 134 E CB -0.369 29.343 29.700 0.020 0.000 1.145 134 E HN 1.394 nan 8.360 nan 0.000 0.454 135 G N 0.617 109.431 108.800 0.023 0.000 2.359 135 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.303 135 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.303 135 G C -1.476 173.435 174.900 0.018 0.000 1.293 135 G CA -1.070 44.045 45.100 0.026 0.000 0.964 135 G HN 0.056 nan 8.290 nan 0.000 0.531 136 K N -0.251 120.156 120.400 0.013 0.000 2.244 136 K HA 0.621 4.941 4.320 -0.000 0.000 0.260 136 K C -0.618 175.973 176.600 -0.015 0.000 0.951 136 K CA -0.734 55.553 56.287 -0.001 0.000 0.826 136 K CB 2.553 35.050 32.500 -0.004 0.000 1.108 136 K HN 0.595 nan 8.250 nan 0.000 0.433 137 L N 4.109 125.326 121.223 -0.010 0.000 2.282 137 L HA 0.265 4.605 4.340 -0.000 0.000 0.288 137 L C 0.227 177.086 176.870 -0.018 0.000 1.033 137 L CA -0.104 54.733 54.840 -0.005 0.000 0.807 137 L CB 0.669 42.737 42.059 0.015 0.000 1.209 137 L HN 0.753 nan 8.230 nan 0.000 0.423 138 L N 1.868 123.073 121.223 -0.031 0.000 2.240 138 L HA 0.084 4.424 4.340 -0.000 0.000 0.211 138 L C 0.217 177.072 176.870 -0.025 0.000 1.106 138 L CA 0.222 55.033 54.840 -0.047 0.000 0.793 138 L CB -0.331 41.683 42.059 -0.075 0.000 0.927 138 L HN 0.863 nan 8.230 nan 0.000 0.446 139 D N 1.384 121.788 120.400 0.007 0.000 3.400 139 D HA -0.221 4.419 4.640 -0.000 0.000 0.226 139 D C 1.239 177.536 176.300 -0.005 0.000 1.152 139 D CA 0.705 54.736 54.000 0.051 0.000 1.008 139 D CB 0.039 40.872 40.800 0.055 0.000 0.866 139 D HN 0.612 nan 8.370 nan 0.000 0.402 140 Q N 0.716 120.444 119.800 -0.119 0.000 2.437 140 Q HA -0.105 4.235 4.340 -0.000 0.000 0.210 140 Q C 1.543 177.353 176.000 -0.318 0.000 0.972 140 Q CA 0.973 56.613 55.803 -0.272 0.000 0.903 140 Q CB -0.188 28.295 28.738 -0.425 0.000 0.967 140 Q HN 0.532 nan 8.270 nan 0.000 0.486 141 F N 0.796 120.730 119.950 -0.027 0.000 2.743 141 F HA 0.173 4.700 4.527 -0.000 0.000 0.297 141 F C 1.146 176.904 175.800 -0.069 0.000 1.131 141 F CA 0.232 58.187 58.000 -0.074 0.000 1.426 141 F CB 0.375 39.267 39.000 -0.180 0.000 1.116 141 F HN 0.142 nan 8.300 nan 0.000 0.583 142 N N -1.117 117.634 118.700 0.084 0.000 2.082 142 N HA -0.000 4.740 4.740 -0.000 0.000 0.228 142 N C -0.465 175.055 175.510 0.016 0.000 1.341 142 N CA 0.087 53.163 53.050 0.042 0.000 0.873 142 N CB 0.190 38.695 38.487 0.029 0.000 1.137 142 N HN 0.003 nan 8.380 nan 0.000 0.505 143 N N 2.346 121.047 118.700 0.002 0.000 2.419 143 N HA 0.227 4.967 4.740 -0.000 0.000 0.264 143 N C -1.884 173.620 175.510 -0.009 0.000 1.031 143 N CA -1.603 51.439 53.050 -0.012 0.000 0.951 143 N CB 1.960 40.429 38.487 -0.030 0.000 1.101 143 N HN -0.097 nan 8.380 nan 0.000 0.488 144 P HA 0.008 nan 4.420 nan 0.000 0.221 144 P C 0.235 177.531 177.300 -0.007 0.000 1.150 144 P CA 0.818 63.914 63.100 -0.008 0.000 0.800 144 P CB 0.447 32.136 31.700 -0.018 0.000 0.787 145 D N -1.268 119.122 120.400 -0.016 0.000 2.348 145 D HA -0.105 4.535 4.640 -0.000 0.000 0.216 145 D C 1.672 177.957 176.300 -0.025 0.000 0.970 145 D CA 0.468 54.456 54.000 -0.021 0.000 0.889 145 D CB -0.581 40.200 40.800 -0.032 0.000 0.912 145 D HN 0.107 nan 8.370 nan 0.000 0.524 146 N N 1.462 120.154 118.700 -0.013 0.000 2.006 146 N HA -0.110 4.630 4.740 -0.000 0.000 0.196 146 N C -1.174 174.380 175.510 0.074 0.000 1.070 146 N CA 1.471 54.529 53.050 0.012 0.000 0.859 146 N CB -0.976 37.514 38.487 0.006 0.000 1.060 146 N HN 0.062 nan 8.380 nan 0.000 0.424 147 P HA -0.058 nan 4.420 nan 0.000 0.229 147 P C 0.902 178.302 177.300 0.166 0.000 1.160 147 P CA 1.300 64.525 63.100 0.209 0.000 0.777 147 P CB -0.057 31.726 31.700 0.137 0.000 0.814 148 K N 0.880 121.328 120.400 0.080 0.000 2.362 148 K HA 0.026 4.346 4.320 -0.000 0.000 0.200 148 K C 1.901 178.529 176.600 0.046 0.000 1.046 148 K CA 1.148 57.486 56.287 0.084 0.000 0.952 148 K CB -0.971 31.551 32.500 0.036 0.000 0.753 148 K HN -0.061 nan 8.250 nan 0.000 0.466 149 A N 0.627 123.403 122.820 -0.074 0.000 1.898 149 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 149 A C 1.711 179.144 177.584 -0.252 0.000 1.181 149 A CA 1.482 53.377 52.037 -0.236 0.000 0.620 149 A CB -0.758 17.975 19.000 -0.444 0.000 0.819 149 A HN 0.516 nan 8.150 nan 0.000 0.442 150 H N -3.160 115.935 119.070 0.041 0.000 2.512 150 H HA -0.012 4.544 4.556 -0.000 0.000 0.279 150 H C 1.820 177.154 175.328 0.010 0.000 0.999 150 H CA 1.363 57.425 56.048 0.024 0.000 1.283 150 H CB -0.261 29.542 29.762 0.069 0.000 1.421 150 H HN 0.695 nan 8.280 nan 0.000 0.554 151 Y N 2.401 122.720 120.300 0.031 0.000 2.242 151 Y HA -0.194 4.356 4.550 -0.000 0.000 0.291 151 Y C 2.567 178.389 175.900 -0.131 0.000 1.137 151 Y CA 1.907 59.996 58.100 -0.019 0.000 1.181 151 Y CB -0.046 38.426 38.460 0.020 0.000 0.989 151 Y HN 0.176 nan 8.280 nan 0.000 0.527 152 T N -4.264 110.189 114.554 -0.168 0.000 3.051 152 T HA 0.059 4.409 4.350 -0.000 0.000 0.255 152 T C 1.403 175.943 174.700 -0.265 0.000 1.085 152 T CA 1.099 63.037 62.100 -0.270 0.000 1.109 152 T CB -0.436 68.367 68.868 -0.108 0.000 0.921 152 T HN 0.475 nan 8.240 nan 0.000 0.488 153 T N -1.620 112.803 114.554 -0.219 0.000 3.361 153 T HA 0.130 4.480 4.350 -0.000 0.000 0.241 153 T C 2.018 176.618 174.700 -0.167 0.000 0.998 153 T CA 0.774 62.764 62.100 -0.183 0.000 1.215 153 T CB -0.553 68.237 68.868 -0.130 0.000 1.196 153 T HN 0.119 nan 8.240 nan 0.000 0.376 154 T N 1.911 116.425 114.554 -0.067 0.000 2.652 154 T HA 0.040 4.390 4.350 -0.000 0.000 0.267 154 T C 2.122 176.750 174.700 -0.120 0.000 1.039 154 T CA 1.911 64.020 62.100 0.015 0.000 1.153 154 T CB -1.238 67.793 68.868 0.271 0.000 0.863 154 T HN 0.622 nan 8.240 nan 0.000 0.428 155 G N 2.521 111.188 108.800 -0.223 0.000 2.587 155 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.217 155 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.217 155 G C -0.702 173.772 174.900 -0.710 0.000 1.240 155 G CA 0.913 45.781 45.100 -0.386 0.000 0.794 155 G HN 0.382 nan 8.290 nan 0.000 0.580 156 P HA -0.136 nan 4.420 nan 0.000 0.214 156 P C 1.664 178.844 177.300 -0.200 0.000 1.172 156 P CA 1.800 64.413 63.100 -0.812 0.000 0.925 156 P CB -0.182 31.164 31.700 -0.591 0.000 0.793 157 E N -0.680 119.419 120.200 -0.168 0.000 2.095 157 E HA -0.236 4.114 4.350 -0.000 0.000 0.212 157 E C 1.960 178.553 176.600 -0.012 0.000 1.044 157 E CA 1.684 58.044 56.400 -0.066 0.000 0.857 157 E CB -0.734 28.934 29.700 -0.054 0.000 0.764 157 E HN 0.288 nan 8.360 nan 0.000 0.462 158 I N -0.307 120.268 120.570 0.008 0.000 2.315 158 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 158 I C 2.436 178.623 176.117 0.116 0.000 1.117 158 I CA 0.830 62.154 61.300 0.041 0.000 1.404 158 I CB -0.723 37.302 38.000 0.041 0.000 1.071 158 I HN 0.367 nan 8.210 nan 0.000 0.419 159 W N 2.713 124.017 121.300 0.007 0.000 2.311 159 W HA -0.298 4.362 4.660 -0.000 0.000 0.326 159 W C 2.676 179.193 176.519 -0.003 0.000 1.239 159 W CA 1.609 59.003 57.345 0.081 0.000 1.258 159 W CB -0.339 29.337 29.460 0.360 0.000 1.165 159 W HN 0.212 nan 8.180 nan 0.000 0.466 160 Q N 0.424 120.257 119.800 0.055 0.000 2.182 160 Q HA -0.321 4.019 4.340 -0.000 0.000 0.213 160 Q C 1.973 177.886 176.000 -0.145 0.000 1.000 160 Q CA 2.328 58.079 55.803 -0.088 0.000 0.889 160 Q CB -0.749 27.973 28.738 -0.025 0.000 0.932 160 Q HN 0.564 nan 8.270 nan 0.000 0.415 161 Q N -1.078 118.655 119.800 -0.111 0.000 2.444 161 Q HA -0.021 4.319 4.340 -0.000 0.000 0.206 161 Q C 1.085 176.911 176.000 -0.290 0.000 0.948 161 Q CA 1.141 56.856 55.803 -0.146 0.000 0.946 161 Q CB 0.461 29.149 28.738 -0.083 0.000 1.027 161 Q HN 0.460 nan 8.270 nan 0.000 0.513 162 T N -4.914 109.447 114.554 -0.323 0.000 3.044 162 T HA 0.270 4.620 4.350 -0.000 0.000 0.260 162 T C 1.250 175.724 174.700 -0.377 0.000 1.019 162 T CA 0.249 62.086 62.100 -0.437 0.000 0.921 162 T CB 0.850 69.504 68.868 -0.356 0.000 1.053 162 T HN 0.274 nan 8.240 nan 0.000 0.533 163 G N 1.711 110.302 108.800 -0.349 0.000 2.179 163 G HA2 0.075 4.035 3.960 -0.000 0.000 0.257 163 G HA3 0.075 4.035 3.960 -0.000 0.000 0.257 163 G C 0.942 175.533 174.900 -0.515 0.000 1.010 163 G CA 0.132 45.025 45.100 -0.344 0.000 0.736 163 G HN 1.720 nan 8.290 nan 0.000 0.513 164 G N -0.865 107.452 108.800 -0.806 0.000 2.333 164 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.296 164 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.296 164 G C 0.609 175.112 174.900 -0.662 0.000 1.059 164 G CA 0.937 45.200 45.100 -1.395 0.000 1.050 164 G HN 1.318 nan 8.290 nan 0.000 0.508 165 R N -0.772 119.518 120.500 -0.349 0.000 2.549 165 R HA 0.299 4.639 4.340 -0.000 0.000 0.344 165 R C 1.329 177.621 176.300 -0.014 0.000 0.979 165 R CA -0.409 55.609 56.100 -0.136 0.000 1.140 165 R CB 0.859 31.082 30.300 -0.127 0.000 1.377 165 R HN 0.569 nan 8.270 nan 0.000 0.541 166 I N 2.563 123.154 120.570 0.036 0.000 2.845 166 I HA -0.166 4.004 4.170 -0.000 0.000 0.296 166 I C 1.012 177.232 176.117 0.171 0.000 1.216 166 I CA 1.149 62.535 61.300 0.142 0.000 1.438 166 I CB 1.013 39.149 38.000 0.227 0.000 1.342 166 I HN 0.243 nan 8.210 nan 0.000 0.577 167 T N 1.948 116.617 114.554 0.192 0.000 2.955 167 T HA 0.283 4.633 4.350 -0.000 0.000 0.251 167 T C 0.077 174.704 174.700 -0.122 0.000 1.002 167 T CA -0.133 62.025 62.100 0.097 0.000 0.970 167 T CB -0.065 68.934 68.868 0.218 0.000 1.091 167 T HN 0.705 nan 8.240 nan 0.000 0.495 168 H N -0.104 119.055 119.070 0.150 0.000 2.771 168 H HA 0.639 5.195 4.556 -0.000 0.000 0.361 168 H C -2.035 173.445 175.328 0.254 0.000 1.108 168 H CA -1.177 54.968 56.048 0.161 0.000 1.201 168 H CB 1.497 31.329 29.762 0.117 0.000 1.681 168 H HN 0.168 nan 8.280 nan 0.000 0.534 169 F N 3.398 123.443 119.950 0.157 0.000 2.426 169 F HA 0.597 5.124 4.527 -0.000 0.000 0.348 169 F C -1.134 174.738 175.800 0.120 0.000 1.124 169 F CA -0.875 57.203 58.000 0.131 0.000 1.008 169 F CB 0.826 39.887 39.000 0.101 0.000 1.139 169 F HN 0.307 nan 8.300 nan 0.000 0.452 170 V N 4.004 123.611 119.914 -0.511 0.000 2.769 170 V HA 0.765 4.885 4.120 -0.000 0.000 0.312 170 V C -0.625 175.006 176.094 -0.772 0.000 1.058 170 V CA -0.738 61.287 62.300 -0.458 0.000 0.952 170 V CB 1.840 33.560 31.823 -0.171 0.000 1.019 170 V HN 0.770 nan 8.190 nan 0.000 0.445 171 S N 2.013 117.448 115.700 -0.441 0.000 2.388 171 S HA 0.231 4.701 4.470 -0.000 0.000 0.279 171 S C -0.631 173.886 174.600 -0.138 0.000 0.987 171 S CA -0.479 57.519 58.200 -0.336 0.000 0.993 171 S CB 1.011 63.966 63.200 -0.409 0.000 1.207 171 S HN 0.727 nan 8.310 nan 0.000 0.425 172 S N 4.593 120.239 115.700 -0.090 0.000 2.549 172 S HA 0.369 4.839 4.470 -0.000 0.000 0.286 172 S C 0.030 174.623 174.600 -0.013 0.000 1.314 172 S CA 0.249 58.422 58.200 -0.045 0.000 1.062 172 S CB 0.161 63.338 63.200 -0.038 0.000 0.865 172 S HN 0.712 nan 8.310 nan 0.000 0.498 173 M N 2.772 122.374 119.600 0.004 0.000 2.243 173 M HA 0.434 4.914 4.480 -0.000 0.000 0.324 173 M C 0.955 177.298 176.300 0.073 0.000 1.031 173 M CA -0.385 54.945 55.300 0.049 0.000 0.949 173 M CB 1.893 34.525 32.600 0.053 0.000 1.615 173 M HN 0.820 nan 8.290 nan 0.000 0.430 174 G N 0.148 109.037 108.800 0.147 0.000 2.446 174 G HA2 0.005 3.965 3.960 -0.000 0.000 0.200 174 G HA3 0.005 3.965 3.960 -0.000 0.000 0.200 174 G C 1.132 176.347 174.900 0.526 0.000 1.707 174 G CA 0.569 45.818 45.100 0.248 0.000 0.697 174 G HN 0.620 nan 8.290 nan 0.000 0.675 175 T N -1.391 113.389 114.554 0.376 0.000 3.085 175 T HA 0.111 4.461 4.350 -0.000 0.000 0.263 175 T C 1.406 176.253 174.700 0.245 0.000 1.127 175 T CA 1.953 64.236 62.100 0.305 0.000 1.103 175 T CB -0.511 68.344 68.868 -0.022 0.000 0.921 175 T HN 0.711 nan 8.240 nan 0.000 0.510 176 T N -0.474 114.212 114.554 0.220 0.000 6.386 176 T HA -0.214 4.136 4.350 -0.000 0.000 0.278 176 T C 1.472 176.279 174.700 0.179 0.000 2.163 176 T CA 0.925 63.156 62.100 0.217 0.000 3.541 176 T CB -2.138 66.928 68.868 0.330 0.000 1.383 176 T HN 0.737 nan 8.240 nan 0.000 1.186 177 G N 1.216 110.094 108.800 0.130 0.000 2.480 177 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 177 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 177 G C 1.452 176.410 174.900 0.097 0.000 1.200 177 G CA 1.811 46.993 45.100 0.137 0.000 0.782 177 G HN 0.601 nan 8.290 nan 0.000 0.554 178 T N 1.072 115.548 114.554 -0.130 0.000 2.570 178 T HA -0.236 4.114 4.350 -0.000 0.000 0.266 178 T C 2.310 177.012 174.700 0.003 0.000 1.071 178 T CA 1.510 63.334 62.100 -0.460 0.000 1.172 178 T CB -0.268 68.379 68.868 -0.368 0.000 0.864 178 T HN 0.226 nan 8.240 nan 0.000 0.421 179 I N 0.618 121.267 120.570 0.132 0.000 2.676 179 I HA -0.108 4.062 4.170 -0.000 0.000 0.259 179 I C 2.198 178.447 176.117 0.219 0.000 1.194 179 I CA 1.089 62.550 61.300 0.269 0.000 1.473 179 I CB -0.181 37.930 38.000 0.186 0.000 1.096 179 I HN 0.179 nan 8.210 nan 0.000 0.443 180 T N 0.080 114.736 114.554 0.171 0.000 2.821 180 T HA -0.056 4.294 4.350 -0.000 0.000 0.267 180 T C 1.671 176.445 174.700 0.123 0.000 1.046 180 T CA 1.322 63.494 62.100 0.120 0.000 1.139 180 T CB -0.555 68.378 68.868 0.109 0.000 0.871 180 T HN 0.598 nan 8.240 nan 0.000 0.454 181 G N 0.437 109.342 108.800 0.174 0.000 2.408 181 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.215 181 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.215 181 G C 1.537 176.574 174.900 0.229 0.000 1.156 181 G CA 0.480 45.719 45.100 0.232 0.000 0.793 181 G HN 0.457 nan 8.290 nan 0.000 0.535 182 V N 0.407 120.416 119.914 0.158 0.000 3.174 182 V HA -0.004 4.116 4.120 -0.000 0.000 0.254 182 V C 2.796 178.917 176.094 0.046 0.000 1.120 182 V CA 1.504 63.819 62.300 0.025 0.000 1.114 182 V CB 0.440 31.990 31.823 -0.456 0.000 0.756 182 V HN 0.407 nan 8.190 nan 0.000 0.467 183 S N 0.068 115.839 115.700 0.118 0.000 2.345 183 S HA -0.251 4.219 4.470 -0.000 0.000 0.220 183 S C 2.081 176.692 174.600 0.017 0.000 1.031 183 S CA 1.956 60.197 58.200 0.068 0.000 0.996 183 S CB -0.223 63.026 63.200 0.082 0.000 0.882 183 S HN 0.676 nan 8.310 nan 0.000 0.445 184 E N -0.756 119.479 120.200 0.057 0.000 2.097 184 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 184 E C 1.843 178.523 176.600 0.133 0.000 1.000 184 E CA 1.606 58.029 56.400 0.038 0.000 0.804 184 E CB -0.261 29.433 29.700 -0.010 0.000 0.740 184 E HN 0.674 nan 8.360 nan 0.000 0.454 185 F N 0.400 120.419 119.950 0.116 0.000 2.149 185 F HA -0.098 4.429 4.527 0.000 0.000 0.294 185 F C 2.137 177.813 175.800 -0.207 0.000 1.095 185 F CA 0.912 58.933 58.000 0.036 0.000 1.276 185 F CB -0.249 38.708 39.000 -0.071 0.000 1.023 185 F HN -0.032 nan 8.300 nan 0.000 0.480 186 M N 0.779 120.047 119.600 -0.554 0.000 2.202 186 M HA -0.147 4.333 4.480 -0.000 0.000 0.262 186 M C 2.022 177.978 176.300 -0.573 0.000 1.063 186 M CA 1.482 56.336 55.300 -0.744 0.000 1.097 186 M CB -1.250 31.150 32.600 -0.333 0.000 1.382 186 M HN 0.215 nan 8.290 nan 0.000 0.413 187 R N -0.552 119.745 120.500 -0.338 0.000 2.299 187 R HA -0.018 4.322 4.340 -0.000 0.000 0.197 187 R C 0.882 177.037 176.300 -0.241 0.000 0.971 187 R CA 0.322 56.283 56.100 -0.233 0.000 1.030 187 R CB -0.028 30.192 30.300 -0.132 0.000 0.932 187 R HN 0.418 nan 8.270 nan 0.000 0.477 188 E N 0.562 120.570 120.200 -0.319 0.000 2.368 188 E HA 0.011 4.361 4.350 -0.000 0.000 0.188 188 E C -0.271 176.121 176.600 -0.347 0.000 1.061 188 E CA 0.049 56.296 56.400 -0.255 0.000 0.933 188 E CB 0.380 29.993 29.700 -0.145 0.000 1.091 188 E HN 0.089 nan 8.360 nan 0.000 0.458 189 Q N -0.634 118.910 119.800 -0.426 0.000 2.297 189 Q HA 0.377 4.717 4.340 -0.000 0.000 0.269 189 Q C -0.322 175.553 176.000 -0.207 0.000 1.051 189 Q CA -0.611 54.929 55.803 -0.438 0.000 0.869 189 Q CB 1.780 30.031 28.738 -0.812 0.000 1.346 189 Q HN -0.079 nan 8.270 nan 0.000 0.457 190 S N 1.770 117.415 115.700 -0.091 0.000 2.580 190 S HA 0.294 4.764 4.470 -0.000 0.000 0.274 190 S C -0.962 173.649 174.600 0.019 0.000 1.329 190 S CA -0.181 58.009 58.200 -0.017 0.000 1.036 190 S CB 0.219 63.438 63.200 0.032 0.000 0.919 190 S HN 0.398 nan 8.310 nan 0.000 0.515 191 K N 1.409 121.814 120.400 0.009 0.000 6.595 191 K HA -0.078 4.242 4.320 -0.000 0.000 0.817 191 K C -2.820 173.768 176.600 -0.019 0.000 2.257 191 K CA -0.224 56.075 56.287 0.021 0.000 1.680 191 K CB -1.839 30.711 32.500 0.082 0.000 2.220 191 K HN 0.449 nan 8.250 nan 0.000 0.275 192 P HA 0.124 nan 4.420 nan 0.000 0.265 192 P C -0.196 177.063 177.300 -0.068 0.000 1.187 192 P CA -0.334 62.728 63.100 -0.063 0.000 0.766 192 P CB 0.785 32.453 31.700 -0.053 0.000 0.820 193 V N 1.944 121.804 119.914 -0.090 0.000 2.638 193 V HA 0.389 4.508 4.120 -0.000 0.000 0.306 193 V C -0.526 175.511 176.094 -0.096 0.000 1.052 193 V CA -0.350 61.895 62.300 -0.092 0.000 0.885 193 V CB 2.147 33.951 31.823 -0.031 0.000 0.999 193 V HN 0.489 nan 8.190 nan 0.000 0.424 194 T N 8.696 123.134 114.554 -0.194 0.000 2.723 194 T HA 0.453 4.803 4.350 -0.000 0.000 0.297 194 T C 0.001 174.735 174.700 0.056 0.000 0.925 194 T CA -0.111 61.926 62.100 -0.105 0.000 1.030 194 T CB -0.076 68.681 68.868 -0.184 0.000 0.905 194 T HN 0.537 nan 8.240 nan 0.000 0.502 195 I N 4.893 125.513 120.570 0.084 0.000 2.379 195 I HA 0.309 4.479 4.170 -0.000 0.000 0.290 195 I C 0.313 176.492 176.117 0.105 0.000 1.063 195 I CA -0.580 60.804 61.300 0.140 0.000 1.351 195 I CB 0.169 38.252 38.000 0.138 0.000 1.410 195 I HN 0.266 nan 8.210 nan 0.000 0.505 196 V N 6.246 126.207 119.914 0.078 0.000 2.686 196 V HA 0.936 5.056 4.120 -0.000 0.000 0.306 196 V C -0.051 176.038 176.094 -0.008 0.000 1.065 196 V CA -0.137 62.193 62.300 0.049 0.000 0.894 196 V CB 1.679 33.541 31.823 0.065 0.000 1.004 196 V HN 0.852 nan 8.190 nan 0.000 0.424 197 G N 5.245 114.056 108.800 0.017 0.000 2.552 197 G HA2 0.798 4.758 3.960 -0.000 0.000 0.324 197 G HA3 0.798 4.758 3.960 -0.000 0.000 0.324 197 G C -1.339 173.555 174.900 -0.011 0.000 1.217 197 G CA -0.920 44.178 45.100 -0.004 0.000 0.989 197 G HN 0.926 nan 8.290 nan 0.000 0.490 198 L N -0.885 120.324 121.223 -0.023 0.000 2.393 198 L HA 0.673 5.013 4.340 -0.000 0.000 0.260 198 L C -0.644 176.206 176.870 -0.032 0.000 1.002 198 L CA -0.773 54.051 54.840 -0.026 0.000 0.818 198 L CB 2.551 44.588 42.059 -0.035 0.000 1.369 198 L HN 0.469 nan 8.230 nan 0.000 0.412 199 Q N 1.782 121.559 119.800 -0.040 0.000 2.327 199 Q HA 0.321 4.661 4.340 -0.000 0.000 0.265 199 Q C -2.725 173.233 176.000 -0.069 0.000 0.993 199 Q CA -1.646 54.120 55.803 -0.063 0.000 0.885 199 Q CB 3.493 32.189 28.738 -0.069 0.000 1.379 199 Q HN 0.267 nan 8.270 nan 0.000 0.408 200 P HA -0.105 nan 4.420 nan 0.000 0.263 200 P C -0.834 176.418 177.300 -0.079 0.000 1.195 200 P CA 0.405 63.445 63.100 -0.099 0.000 0.762 200 P CB 0.398 32.016 31.700 -0.136 0.000 0.799 201 E N 2.052 122.226 120.200 -0.043 0.000 2.459 201 E HA -0.114 4.236 4.350 -0.000 0.000 0.264 201 E C 0.899 177.482 176.600 -0.028 0.000 1.055 201 E CA -0.111 56.284 56.400 -0.008 0.000 0.957 201 E CB 0.273 30.011 29.700 0.063 0.000 0.952 201 E HN 0.390 nan 8.360 nan 0.000 0.448 202 E N 1.546 121.737 120.200 -0.016 0.000 2.209 202 E HA -0.122 4.228 4.350 -0.000 0.000 0.196 202 E C 1.893 178.469 176.600 -0.041 0.000 0.993 202 E CA 1.367 57.746 56.400 -0.035 0.000 0.819 202 E CB -0.379 29.308 29.700 -0.021 0.000 0.745 202 E HN 0.713 nan 8.360 nan 0.000 0.477 203 G N -0.607 108.183 108.800 -0.018 0.000 2.394 203 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.215 203 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.215 203 G C 0.801 175.642 174.900 -0.099 0.000 1.165 203 G CA 0.343 45.427 45.100 -0.026 0.000 0.784 203 G HN 0.169 nan 8.290 nan 0.000 0.535 204 S N -0.110 115.484 115.700 -0.176 0.000 2.572 204 S HA 0.433 4.903 4.470 -0.000 0.000 0.279 204 S C 0.015 174.492 174.600 -0.206 0.000 1.341 204 S CA -0.100 57.912 58.200 -0.313 0.000 1.043 204 S CB 1.421 64.358 63.200 -0.438 0.000 0.887 204 S HN 0.124 nan 8.310 nan 0.000 0.516 205 S N 1.531 117.115 115.700 -0.193 0.000 2.596 205 S HA 0.655 5.125 4.470 -0.000 0.000 0.318 205 S C -0.947 173.581 174.600 -0.120 0.000 1.097 205 S CA -0.541 57.574 58.200 -0.141 0.000 1.080 205 S CB -0.027 63.107 63.200 -0.111 0.000 0.991 205 S HN 0.486 nan 8.310 nan 0.000 0.471 206 I N 5.093 125.598 120.570 -0.108 0.000 2.656 206 I HA 0.403 4.573 4.170 -0.000 0.000 0.292 206 I C -2.492 173.600 176.117 -0.041 0.000 1.144 206 I CA -2.004 59.256 61.300 -0.067 0.000 1.038 206 I CB 2.180 40.132 38.000 -0.081 0.000 1.244 206 I HN 0.347 nan 8.210 nan 0.000 0.420 207 P HA 0.278 nan 4.420 nan 0.000 0.271 207 P C 0.812 178.135 177.300 0.037 0.000 1.226 207 P CA 0.306 63.425 63.100 0.033 0.000 0.765 207 P CB 0.649 32.410 31.700 0.102 0.000 0.835 208 G N 2.493 111.303 108.800 0.016 0.000 2.179 208 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.260 208 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.260 208 G C 0.123 175.037 174.900 0.024 0.000 0.977 208 G CA 0.383 45.508 45.100 0.043 0.000 0.641 208 G HN 0.696 nan 8.290 nan 0.000 0.533 209 I N -3.702 116.847 120.570 -0.035 0.000 2.785 209 I HA 0.976 5.146 4.170 -0.000 0.000 0.302 209 I C -0.439 175.567 176.117 -0.185 0.000 1.069 209 I CA -1.698 59.561 61.300 -0.069 0.000 1.045 209 I CB 2.276 40.245 38.000 -0.053 0.000 1.236 209 I HN 0.047 nan 8.210 nan 0.000 0.429 210 R N 2.611 122.963 120.500 -0.248 0.000 2.633 210 R HA 0.329 4.669 4.340 -0.000 0.000 0.255 210 R C -1.394 174.659 176.300 -0.412 0.000 1.106 210 R CA -0.808 55.004 56.100 -0.481 0.000 0.959 210 R CB 2.135 31.830 30.300 -1.009 0.000 1.259 210 R HN 0.679 nan 8.270 nan 0.000 0.453 211 R N 3.274 123.576 120.500 -0.330 0.000 2.202 211 R HA 0.169 4.509 4.340 -0.000 0.000 0.334 211 R C -1.043 175.126 176.300 -0.220 0.000 1.036 211 R CA -0.158 55.818 56.100 -0.207 0.000 0.878 211 R CB 0.494 30.724 30.300 -0.116 0.000 1.067 211 R HN 0.463 nan 8.270 nan 0.000 0.457 212 W N 5.486 126.750 121.300 -0.060 0.000 2.251 212 W HA 0.284 4.944 4.660 -0.000 0.000 0.329 212 W C -1.524 174.996 176.519 0.001 0.000 1.234 212 W CA -1.840 55.484 57.345 -0.034 0.000 1.228 212 W CB 0.256 29.713 29.460 -0.005 0.000 1.135 212 W HN 0.466 nan 8.180 nan 0.000 0.576 213 P HA -0.037 nan 4.420 nan 0.000 0.262 213 P C 0.868 178.340 177.300 0.286 0.000 1.182 213 P CA 0.599 63.857 63.100 0.263 0.000 0.761 213 P CB 0.537 32.424 31.700 0.311 0.000 0.795 214 T N 1.696 116.344 114.554 0.156 0.000 2.680 214 T HA -0.235 4.115 4.350 -0.000 0.000 0.268 214 T C 1.295 176.016 174.700 0.034 0.000 1.033 214 T CA 1.791 63.943 62.100 0.087 0.000 1.152 214 T CB -0.414 68.483 68.868 0.049 0.000 0.859 214 T HN 0.624 nan 8.240 nan 0.000 0.452 215 E N 0.094 120.285 120.200 -0.014 0.000 2.511 215 E HA -0.077 4.273 4.350 -0.000 0.000 0.196 215 E C 0.647 177.005 176.600 -0.403 0.000 1.066 215 E CA 0.769 57.041 56.400 -0.213 0.000 0.871 215 E CB -0.264 29.255 29.700 -0.302 0.000 0.863 215 E HN 0.634 nan 8.360 nan 0.000 0.520 216 Y N 1.239 121.497 120.300 -0.070 0.000 2.500 216 Y HA 0.204 4.754 4.550 0.000 0.000 0.246 216 Y C 0.998 176.636 175.900 -0.436 0.000 1.146 216 Y CA -0.638 57.325 58.100 -0.228 0.000 1.230 216 Y CB 0.552 38.961 38.460 -0.085 0.000 1.214 216 Y HN -0.032 nan 8.280 nan 0.000 0.526 217 L N 0.788 121.950 121.223 -0.102 0.000 2.513 217 L HA 0.286 4.626 4.340 -0.000 0.000 0.272 217 L C -2.637 174.108 176.870 -0.209 0.000 1.187 217 L CA -1.802 52.938 54.840 -0.167 0.000 0.895 217 L CB -0.434 41.614 42.059 -0.017 0.000 1.147 217 L HN -0.078 nan 8.230 nan 0.000 0.483 218 P HA 0.014 nan 4.420 nan 0.000 0.260 218 P C 1.196 178.524 177.300 0.047 0.000 1.172 218 P CA 0.505 63.559 63.100 -0.077 0.000 0.760 218 P CB 0.705 32.443 31.700 0.064 0.000 0.773 219 G N 3.836 112.650 108.800 0.022 0.000 2.485 219 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.221 219 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.221 219 G C 1.194 176.135 174.900 0.068 0.000 1.115 219 G CA 0.757 45.880 45.100 0.037 0.000 0.751 219 G HN 0.667 nan 8.290 nan 0.000 0.567 220 I N -2.514 118.109 120.570 0.088 0.000 2.394 220 I HA 0.183 4.353 4.170 -0.000 0.000 0.251 220 I C 1.363 177.544 176.117 0.107 0.000 1.136 220 I CA -0.177 61.172 61.300 0.082 0.000 1.425 220 I CB -0.421 37.631 38.000 0.087 0.000 1.079 220 I HN 0.000 nan 8.210 nan 0.000 0.425 221 F N 4.360 124.326 119.950 0.026 0.000 2.578 221 F HA 0.217 4.744 4.527 -0.000 0.000 0.381 221 F C 0.224 176.038 175.800 0.024 0.000 1.069 221 F CA -0.278 57.745 58.000 0.039 0.000 1.231 221 F CB 0.044 39.078 39.000 0.058 0.000 1.086 221 F HN 0.134 nan 8.300 nan 0.000 0.564 222 N N 4.691 122.931 118.700 -0.766 0.000 2.354 222 N HA 0.436 5.176 4.740 -0.000 0.000 0.287 222 N C 0.044 174.890 175.510 -1.107 0.000 1.016 222 N CA -0.150 52.479 53.050 -0.700 0.000 0.871 222 N CB 1.821 40.111 38.487 -0.328 0.000 1.299 222 N HN 0.658 nan 8.380 nan 0.000 0.482 223 A N 2.389 124.760 122.820 -0.749 0.000 2.066 223 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 223 A C 1.983 179.454 177.584 -0.188 0.000 1.157 223 A CA 1.522 53.340 52.037 -0.364 0.000 0.670 223 A CB -0.793 18.244 19.000 0.062 0.000 0.804 223 A HN 0.819 nan 8.150 nan 0.000 0.453 224 S N -0.150 115.437 115.700 -0.189 0.000 2.419 224 S HA -0.060 4.410 4.470 -0.000 0.000 0.233 224 S C 1.538 176.078 174.600 -0.099 0.000 1.016 224 S CA 1.379 59.513 58.200 -0.110 0.000 0.974 224 S CB -0.488 62.651 63.200 -0.102 0.000 0.786 224 S HN 0.465 nan 8.310 nan 0.000 0.492 225 L N 1.260 122.398 121.223 -0.141 0.000 2.592 225 L HA 0.357 4.697 4.340 -0.000 0.000 0.227 225 L C -0.564 176.290 176.870 -0.026 0.000 1.127 225 L CA -0.207 54.580 54.840 -0.087 0.000 0.884 225 L CB 0.556 42.553 42.059 -0.103 0.000 1.065 225 L HN 0.187 nan 8.230 nan 0.000 0.457 226 V N -1.092 118.813 119.914 -0.015 0.000 2.531 226 V HA 0.243 4.363 4.120 -0.000 0.000 0.301 226 V C -0.198 175.938 176.094 0.070 0.000 1.034 226 V CA -0.573 61.768 62.300 0.068 0.000 0.865 226 V CB 2.087 34.007 31.823 0.163 0.000 0.995 226 V HN -0.033 nan 8.190 nan 0.000 0.424 227 D N 2.150 122.592 120.400 0.070 0.000 2.380 227 D HA 0.109 4.749 4.640 -0.000 0.000 0.212 227 D C 0.552 176.890 176.300 0.063 0.000 1.021 227 D CA 0.689 54.722 54.000 0.054 0.000 0.884 227 D CB 0.839 41.664 40.800 0.042 0.000 1.001 227 D HN 0.860 nan 8.370 nan 0.000 0.506 228 E N -0.113 120.131 120.200 0.074 0.000 2.335 228 E HA 0.448 4.798 4.350 -0.000 0.000 0.280 228 E C -1.261 175.381 176.600 0.070 0.000 0.918 228 E CA -0.742 55.699 56.400 0.068 0.000 0.765 228 E CB 2.273 32.009 29.700 0.060 0.000 1.218 228 E HN -0.311 nan 8.360 nan 0.000 0.425 229 V N 3.250 123.204 119.914 0.067 0.000 2.427 229 V HA 0.340 4.460 4.120 -0.000 0.000 0.286 229 V C -0.542 175.570 176.094 0.030 0.000 1.034 229 V CA -0.660 61.671 62.300 0.052 0.000 0.893 229 V CB 1.164 33.020 31.823 0.054 0.000 0.982 229 V HN 0.576 nan 8.190 nan 0.000 0.452 230 L N 4.000 125.233 121.223 0.018 0.000 2.334 230 L HA 0.563 4.903 4.340 -0.000 0.000 0.276 230 L C 0.144 177.014 176.870 -0.000 0.000 1.014 230 L CA -0.093 54.753 54.840 0.010 0.000 0.815 230 L CB 1.683 43.746 42.059 0.008 0.000 1.268 230 L HN 0.536 nan 8.230 nan 0.000 0.428 231 D N 1.842 122.243 120.400 0.002 0.000 2.344 231 D HA 0.369 5.010 4.640 -0.000 0.000 0.244 231 D C -0.828 175.474 176.300 0.003 0.000 1.134 231 D CA 0.131 54.130 54.000 -0.001 0.000 0.930 231 D CB 1.622 42.426 40.800 0.008 0.000 1.175 231 D HN 0.096 nan 8.370 nan 0.000 0.437 232 I N 2.079 122.649 120.570 -0.001 0.000 2.627 232 I HA 0.052 4.222 4.170 -0.000 0.000 0.288 232 I C -1.095 175.030 176.117 0.013 0.000 1.202 232 I CA -0.419 60.885 61.300 0.007 0.000 1.050 232 I CB 1.631 39.620 38.000 -0.018 0.000 1.264 232 I HN 0.404 nan 8.210 nan 0.000 0.429 233 H N 6.594 125.641 119.070 -0.038 0.000 2.562 233 H HA 0.192 4.748 4.556 -0.000 0.000 0.314 233 H C 0.890 176.192 175.328 -0.044 0.000 1.079 233 H CA 0.346 56.370 56.048 -0.040 0.000 1.349 233 H CB 1.572 31.314 29.762 -0.034 0.000 1.432 233 H HN 0.725 nan 8.280 nan 0.000 0.479 234 Q N 4.378 123.955 119.800 -0.373 0.000 2.028 234 Q HA -0.374 3.966 4.340 -0.000 0.000 0.215 234 Q C 2.200 178.170 176.000 -0.050 0.000 1.041 234 Q CA 2.886 58.548 55.803 -0.236 0.000 0.897 234 Q CB -0.040 28.495 28.738 -0.337 0.000 1.017 234 Q HN 0.780 nan 8.270 nan 0.000 0.418 235 R N -0.168 120.394 120.500 0.103 0.000 2.136 235 R HA -0.246 4.094 4.340 -0.000 0.000 0.242 235 R C 1.698 178.038 176.300 0.066 0.000 1.131 235 R CA 2.450 58.630 56.100 0.134 0.000 0.937 235 R CB -0.438 30.003 30.300 0.234 0.000 0.863 235 R HN 0.389 nan 8.270 nan 0.000 0.435 236 D N -1.183 119.273 120.400 0.093 0.000 2.333 236 D HA 0.120 4.760 4.640 -0.000 0.000 0.208 236 D C 1.502 177.806 176.300 0.006 0.000 0.984 236 D CA 0.791 54.810 54.000 0.032 0.000 0.873 236 D CB 0.294 41.110 40.800 0.025 0.000 0.935 236 D HN 0.439 nan 8.370 nan 0.000 0.521 237 A N 0.471 123.292 122.820 0.001 0.000 1.898 237 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 237 A C 2.002 179.546 177.584 -0.065 0.000 1.181 237 A CA 1.285 53.300 52.037 -0.036 0.000 0.620 237 A CB -0.465 18.504 19.000 -0.051 0.000 0.819 237 A HN 0.253 nan 8.150 nan 0.000 0.442 238 E N 0.046 120.203 120.200 -0.073 0.000 2.077 238 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 238 E C 1.760 178.307 176.600 -0.088 0.000 0.989 238 E CA 1.099 57.432 56.400 -0.112 0.000 0.800 238 E CB -0.207 29.429 29.700 -0.107 0.000 0.746 238 E HN 0.534 nan 8.360 nan 0.000 0.452 239 N N 0.287 118.960 118.700 -0.044 0.000 2.084 239 N HA -0.103 4.637 4.740 -0.000 0.000 0.190 239 N C 1.830 177.332 175.510 -0.015 0.000 1.030 239 N CA 1.369 54.405 53.050 -0.024 0.000 0.849 239 N CB -0.448 38.033 38.487 -0.010 0.000 1.012 239 N HN 0.081 nan 8.380 nan 0.000 0.423 240 T N 1.536 116.079 114.554 -0.018 0.000 2.995 240 T HA 0.026 4.376 4.350 -0.000 0.000 0.269 240 T C 1.842 176.537 174.700 -0.009 0.000 1.091 240 T CA 0.352 62.445 62.100 -0.011 0.000 1.128 240 T CB 0.077 68.936 68.868 -0.016 0.000 0.891 240 T HN 0.214 nan 8.240 nan 0.000 0.492 241 M N 0.660 120.241 119.600 -0.032 0.000 2.064 241 M HA -0.059 4.421 4.480 -0.000 0.000 0.260 241 M C 2.402 178.755 176.300 0.089 0.000 1.073 241 M CA 1.654 56.941 55.300 -0.022 0.000 1.124 241 M CB -0.098 32.420 32.600 -0.136 0.000 1.326 241 M HN 0.027 nan 8.290 nan 0.000 0.410 242 R N -0.232 120.308 120.500 0.067 0.000 2.148 242 R HA -0.182 4.158 4.340 -0.000 0.000 0.227 242 R C 2.061 178.444 176.300 0.139 0.000 1.103 242 R CA 1.714 57.917 56.100 0.172 0.000 0.983 242 R CB -0.218 30.133 30.300 0.085 0.000 0.874 242 R HN 0.548 nan 8.270 nan 0.000 0.451 243 E N 0.698 120.943 120.200 0.075 0.000 2.107 243 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 243 E C 1.777 178.411 176.600 0.056 0.000 0.982 243 E CA 0.634 57.066 56.400 0.054 0.000 0.809 243 E CB 0.019 29.735 29.700 0.027 0.000 0.756 243 E HN 0.214 nan 8.360 nan 0.000 0.459 244 L N 0.857 122.118 121.223 0.062 0.000 1.990 244 L HA -0.264 4.076 4.340 -0.000 0.000 0.213 244 L C 2.672 179.591 176.870 0.083 0.000 1.072 244 L CA 1.733 56.609 54.840 0.060 0.000 0.755 244 L CB -0.582 41.511 42.059 0.057 0.000 0.889 244 L HN 0.273 nan 8.230 nan 0.000 0.432 245 A N -0.330 122.574 122.820 0.140 0.000 1.873 245 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 245 A C 2.258 179.884 177.584 0.070 0.000 1.193 245 A CA 2.694 54.815 52.037 0.140 0.000 0.629 245 A CB -1.201 17.930 19.000 0.218 0.000 0.826 245 A HN 0.318 nan 8.150 nan 0.000 0.447 246 V N -1.010 118.946 119.914 0.070 0.000 2.216 246 V HA -0.267 3.853 4.120 -0.000 0.000 0.242 246 V C 2.360 178.467 176.094 0.021 0.000 1.042 246 V CA 1.846 64.168 62.300 0.037 0.000 0.991 246 V CB -1.440 30.407 31.823 0.041 0.000 0.633 246 V HN 0.574 nan 8.190 nan 0.000 0.449 247 R N 0.712 121.225 120.500 0.021 0.000 2.081 247 R HA -0.075 4.265 4.340 -0.000 0.000 0.235 247 R C 2.109 178.410 176.300 0.001 0.000 1.131 247 R CA 1.730 57.835 56.100 0.008 0.000 0.960 247 R CB -0.485 29.819 30.300 0.005 0.000 0.856 247 R HN 0.633 nan 8.270 nan 0.000 0.436 248 E N -0.951 119.254 120.200 0.008 0.000 2.447 248 E HA 0.101 4.451 4.350 -0.000 0.000 0.204 248 E C 1.067 177.671 176.600 0.007 0.000 0.977 248 E CA 0.607 57.007 56.400 0.000 0.000 0.950 248 E CB 1.009 30.708 29.700 -0.002 0.000 0.975 248 E HN 0.523 nan 8.360 nan 0.000 0.496 249 G N 2.044 110.855 108.800 0.019 0.000 2.148 249 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.254 249 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.254 249 G C 0.242 175.171 174.900 0.049 0.000 0.981 249 G CA -0.015 45.096 45.100 0.019 0.000 0.670 249 G HN 0.165 nan 8.290 nan 0.000 0.528 250 I N 1.004 121.611 120.570 0.062 0.000 2.347 250 I HA 0.331 4.501 4.170 -0.000 0.000 0.294 250 I C 0.083 176.283 176.117 0.139 0.000 1.090 250 I CA -1.268 60.081 61.300 0.081 0.000 1.314 250 I CB -0.041 37.989 38.000 0.050 0.000 1.423 250 I HN 0.112 nan 8.210 nan 0.000 0.503 251 F N 8.851 128.777 119.950 -0.039 0.000 2.329 251 F HA 0.391 4.918 4.527 0.000 0.000 0.362 251 F C 0.387 176.167 175.800 -0.033 0.000 1.113 251 F CA -1.008 56.942 58.000 -0.083 0.000 1.212 251 F CB 0.147 39.052 39.000 -0.158 0.000 1.509 251 F HN 0.553 nan 8.300 nan 0.000 0.546 252 C N 1.840 120.977 119.300 -0.271 0.000 2.973 252 C HA 0.998 5.458 4.460 -0.000 0.000 0.329 252 C C 0.859 175.609 174.990 -0.400 0.000 1.327 252 C CA -0.469 58.368 59.018 -0.302 0.000 1.632 252 C CB 0.982 28.643 27.740 -0.130 0.000 2.098 252 C HN 0.863 nan 8.230 nan 0.000 0.469 253 G N 0.109 108.596 108.800 -0.522 0.000 2.535 253 G HA2 0.450 4.410 3.960 -0.000 0.000 0.282 253 G HA3 0.450 4.410 3.960 -0.000 0.000 0.282 253 G C 0.687 175.197 174.900 -0.651 0.000 1.350 253 G CA 0.077 44.505 45.100 -1.121 0.000 1.039 253 G HN 0.940 nan 8.290 nan 0.000 0.509 254 V N 0.668 120.198 119.914 -0.639 0.000 2.323 254 V HA -0.153 3.967 4.120 -0.000 0.000 0.244 254 V C 3.233 179.236 176.094 -0.152 0.000 1.041 254 V CA 2.426 64.558 62.300 -0.280 0.000 1.025 254 V CB -0.639 31.100 31.823 -0.140 0.000 0.656 254 V HN 0.830 nan 8.190 nan 0.000 0.451 255 S N -0.005 115.639 115.700 -0.093 0.000 2.442 255 S HA -0.173 4.297 4.470 -0.000 0.000 0.236 255 S C 1.950 176.514 174.600 -0.060 0.000 1.007 255 S CA 1.668 59.836 58.200 -0.053 0.000 0.965 255 S CB -0.442 62.752 63.200 -0.011 0.000 0.773 255 S HN 0.514 nan 8.310 nan 0.000 0.504 256 S N 1.548 117.197 115.700 -0.085 0.000 2.371 256 S HA 0.138 4.608 4.470 -0.000 0.000 0.224 256 S C 2.164 176.728 174.600 -0.059 0.000 1.029 256 S CA 0.837 58.998 58.200 -0.064 0.000 0.978 256 S CB -1.111 62.045 63.200 -0.073 0.000 0.833 256 S HN 0.749 nan 8.310 nan 0.000 0.466 257 G N 1.633 110.385 108.800 -0.081 0.000 2.446 257 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.217 257 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.217 257 G C 1.472 176.344 174.900 -0.046 0.000 1.168 257 G CA 1.054 46.119 45.100 -0.059 0.000 0.771 257 G HN 0.555 nan 8.290 nan 0.000 0.551 258 G N 1.182 109.949 108.800 -0.054 0.000 2.446 258 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.217 258 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.217 258 G C 2.103 176.979 174.900 -0.039 0.000 1.168 258 G CA 1.674 46.749 45.100 -0.043 0.000 0.771 258 G HN 0.711 nan 8.290 nan 0.000 0.551 259 A N -0.196 122.598 122.820 -0.044 0.000 1.917 259 A HA -0.014 4.306 4.320 -0.000 0.000 0.219 259 A C 2.627 180.191 177.584 -0.033 0.000 1.182 259 A CA 2.188 54.197 52.037 -0.047 0.000 0.633 259 A CB -0.702 18.270 19.000 -0.046 0.000 0.819 259 A HN 0.310 nan 8.150 nan 0.000 0.448 260 V N -0.845 119.055 119.914 -0.023 0.000 2.331 260 V HA -0.066 4.054 4.120 -0.000 0.000 0.242 260 V C 3.031 179.117 176.094 -0.013 0.000 1.034 260 V CA 1.543 63.837 62.300 -0.012 0.000 1.027 260 V CB -0.978 30.841 31.823 -0.007 0.000 0.667 260 V HN 0.629 nan 8.190 nan 0.000 0.457 261 A N 0.597 123.407 122.820 -0.016 0.000 1.903 261 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 261 A C 2.404 179.980 177.584 -0.014 0.000 1.191 261 A CA 2.361 54.389 52.037 -0.014 0.000 0.638 261 A CB -1.483 17.509 19.000 -0.013 0.000 0.823 261 A HN 0.577 nan 8.150 nan 0.000 0.451 262 G N -0.955 107.834 108.800 -0.018 0.000 2.505 262 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.220 262 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.220 262 G C 1.501 176.391 174.900 -0.018 0.000 1.145 262 G CA 1.645 46.734 45.100 -0.019 0.000 0.761 262 G HN 1.119 nan 8.290 nan 0.000 0.571 263 A N -0.594 122.216 122.820 -0.017 0.000 2.303 263 A HA 0.485 4.805 4.320 -0.000 0.000 0.217 263 A C 2.024 179.599 177.584 -0.015 0.000 1.205 263 A CA 0.091 52.120 52.037 -0.014 0.000 0.875 263 A CB 0.095 19.095 19.000 -0.001 0.000 0.910 263 A HN 0.229 nan 8.150 nan 0.000 0.501 264 L N -0.411 120.804 121.223 -0.013 0.000 2.217 264 L HA 0.066 4.406 4.340 -0.000 0.000 0.211 264 L C 2.237 179.095 176.870 -0.020 0.000 1.107 264 L CA 1.421 56.252 54.840 -0.016 0.000 0.783 264 L CB -1.353 40.698 42.059 -0.013 0.000 0.919 264 L HN 0.370 nan 8.230 nan 0.000 0.442 265 R N -0.722 119.767 120.500 -0.018 0.000 2.293 265 R HA -0.060 4.280 4.340 -0.000 0.000 0.219 265 R C 1.459 177.745 176.300 -0.024 0.000 1.091 265 R CA 0.647 56.737 56.100 -0.016 0.000 1.004 265 R CB 0.180 30.474 30.300 -0.011 0.000 0.865 265 R HN 0.265 nan 8.270 nan 0.000 0.469 266 V N -2.616 117.275 119.914 -0.040 0.000 3.398 266 V HA 0.314 4.434 4.120 -0.000 0.000 0.298 266 V C 1.191 177.205 176.094 -0.134 0.000 1.496 266 V CA 0.524 62.779 62.300 -0.074 0.000 1.044 266 V CB 0.901 32.685 31.823 -0.065 0.000 0.880 266 V HN 0.212 nan 8.190 nan 0.000 0.443 267 A N 0.891 123.661 122.820 -0.084 0.000 1.943 267 A HA 0.053 4.373 4.320 -0.000 0.000 0.213 267 A C 2.140 179.691 177.584 -0.054 0.000 1.181 267 A CA 1.046 53.037 52.037 -0.077 0.000 0.653 267 A CB -0.152 18.827 19.000 -0.034 0.000 0.833 267 A HN 0.430 nan 8.150 nan 0.000 0.451 268 K N 0.197 120.575 120.400 -0.037 0.000 2.211 268 K HA 0.025 4.345 4.320 -0.000 0.000 0.203 268 K C 1.669 178.257 176.600 -0.020 0.000 1.050 268 K CA 1.028 57.302 56.287 -0.022 0.000 0.945 268 K CB -0.194 32.296 32.500 -0.016 0.000 0.732 268 K HN 0.391 nan 8.250 nan 0.000 0.451 269 A N 0.955 123.756 122.820 -0.030 0.000 2.278 269 A HA 0.057 4.377 4.320 -0.000 0.000 0.212 269 A C 0.206 177.784 177.584 -0.009 0.000 1.213 269 A CA 0.158 52.186 52.037 -0.015 0.000 0.840 269 A CB 0.097 19.090 19.000 -0.012 0.000 0.866 269 A HN 0.210 nan 8.150 nan 0.000 0.489 270 N N 0.394 119.080 118.700 -0.024 0.000 2.805 270 N HA 0.145 4.885 4.740 -0.000 0.000 0.216 270 N C -3.295 172.219 175.510 0.007 0.000 1.447 270 N CA -0.655 52.396 53.050 0.000 0.000 0.785 270 N CB 1.079 39.559 38.487 -0.012 0.000 1.458 270 N HN -0.029 nan 8.380 nan 0.000 0.547 271 P HA -0.010 nan 4.420 nan 0.000 0.261 271 P C -0.475 176.848 177.300 0.038 0.000 1.165 271 P CA 0.947 64.059 63.100 0.021 0.000 0.759 271 P CB 0.235 31.947 31.700 0.020 0.000 0.772 272 D N 0.110 120.535 120.400 0.043 0.000 2.800 272 D HA -0.028 4.612 4.640 -0.000 0.000 0.248 272 D C -0.523 175.827 176.300 0.083 0.000 1.091 272 D CA 1.327 55.362 54.000 0.059 0.000 0.746 272 D CB -1.306 39.525 40.800 0.052 0.000 1.062 272 D HN 0.479 nan 8.370 nan 0.000 0.431 273 A N -0.329 122.545 122.820 0.091 0.000 2.515 273 A HA 0.773 5.093 4.320 -0.000 0.000 0.296 273 A C -0.389 177.291 177.584 0.160 0.000 1.094 273 A CA -0.676 51.444 52.037 0.139 0.000 0.718 273 A CB 1.824 20.900 19.000 0.127 0.000 1.307 273 A HN 0.289 nan 8.150 nan 0.000 0.408 274 V N 2.399 122.435 119.914 0.204 0.000 2.259 274 V HA 0.289 4.409 4.120 -0.000 0.000 0.267 274 V C 0.035 176.282 176.094 0.256 0.000 1.051 274 V CA -0.510 61.925 62.300 0.224 0.000 0.830 274 V CB 0.273 32.173 31.823 0.128 0.000 1.080 274 V HN 0.607 nan 8.190 nan 0.000 0.467 275 V N 4.155 124.227 119.914 0.264 0.000 2.715 275 V HA 0.344 4.464 4.120 -0.000 0.000 0.299 275 V C 0.230 176.511 176.094 0.311 0.000 1.054 275 V CA -0.348 62.102 62.300 0.250 0.000 1.077 275 V CB 1.372 33.283 31.823 0.146 0.000 0.972 275 V HN 0.493 nan 8.190 nan 0.000 0.484 276 V N 3.458 123.556 119.914 0.307 0.000 2.443 276 V HA 0.745 4.865 4.120 -0.000 0.000 0.293 276 V C 0.306 176.571 176.094 0.285 0.000 1.021 276 V CA -0.318 62.187 62.300 0.341 0.000 0.848 276 V CB 1.339 33.390 31.823 0.381 0.000 0.998 276 V HN 1.129 nan 8.190 nan 0.000 0.424 277 A N 5.530 128.470 122.820 0.200 0.000 2.294 277 A HA 0.905 5.225 4.320 -0.000 0.000 0.330 277 A C -0.749 176.915 177.584 0.132 0.000 1.133 277 A CA -0.583 51.499 52.037 0.076 0.000 0.836 277 A CB 0.863 19.885 19.000 0.037 0.000 1.190 277 A HN 0.578 nan 8.150 nan 0.000 0.492 278 I N 1.985 122.588 120.570 0.055 0.000 2.331 278 I HA 0.248 4.418 4.170 -0.000 0.000 0.292 278 I C -0.312 175.842 176.117 0.063 0.000 0.998 278 I CA -1.144 60.223 61.300 0.112 0.000 1.267 278 I CB 1.116 39.186 38.000 0.117 0.000 1.386 278 I HN 0.302 nan 8.210 nan 0.000 0.476 279 I N 6.625 127.243 120.570 0.080 0.000 2.307 279 I HA 0.154 4.324 4.170 -0.000 0.000 0.287 279 I C 0.985 177.131 176.117 0.048 0.000 1.054 279 I CA -0.150 61.179 61.300 0.049 0.000 1.218 279 I CB 0.744 38.775 38.000 0.051 0.000 1.398 279 I HN 0.650 nan 8.210 nan 0.000 0.475 280 C N 3.913 123.233 119.300 0.032 0.000 2.476 280 C HA -0.050 4.410 4.460 -0.000 0.000 0.278 280 C C 0.881 175.907 174.990 0.060 0.000 1.274 280 C CA 0.453 59.501 59.018 0.049 0.000 1.713 280 C CB -0.891 26.875 27.740 0.043 0.000 2.039 280 C HN 0.863 nan 8.230 nan 0.000 0.484 281 D N -1.931 118.495 120.400 0.044 0.000 2.626 281 D HA 0.389 5.029 4.640 -0.000 0.000 0.278 281 D C -0.925 175.380 176.300 0.008 0.000 1.211 281 D CA -0.768 53.268 54.000 0.060 0.000 0.903 281 D CB 0.387 41.261 40.800 0.124 0.000 1.408 281 D HN 0.110 nan 8.370 nan 0.000 0.454 282 R N -0.844 119.670 120.500 0.024 0.000 2.560 282 R HA 0.560 4.900 4.340 -0.000 0.000 0.270 282 R C 1.501 177.692 176.300 -0.182 0.000 1.074 282 R CA -0.308 55.764 56.100 -0.046 0.000 1.140 282 R CB 0.696 31.033 30.300 0.061 0.000 1.073 282 R HN 0.658 nan 8.270 nan 0.000 0.527 283 G N 0.826 109.195 108.800 -0.718 0.000 2.501 283 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.220 283 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.220 283 G C 0.596 175.345 174.900 -0.252 0.000 1.114 283 G CA 0.512 44.905 45.100 -1.179 0.000 0.757 283 G HN 0.608 nan 8.290 nan 0.000 0.559 284 D N 0.487 120.937 120.400 0.083 0.000 2.182 284 D HA -0.094 4.546 4.640 -0.000 0.000 0.201 284 D C 2.313 178.766 176.300 0.255 0.000 0.986 284 D CA 0.781 54.977 54.000 0.326 0.000 0.847 284 D CB -0.075 40.876 40.800 0.252 0.000 0.942 284 D HN 0.259 nan 8.370 nan 0.000 0.467 285 R N -0.844 119.790 120.500 0.224 0.000 2.310 285 R HA 0.052 4.392 4.340 -0.000 0.000 0.202 285 R C 1.026 177.324 176.300 -0.004 0.000 0.933 285 R CA 0.072 56.225 56.100 0.089 0.000 1.054 285 R CB 0.087 30.387 30.300 -0.001 0.000 0.985 285 R HN 0.205 nan 8.270 nan 0.000 0.489 286 Y N -0.979 119.385 120.300 0.107 0.000 2.497 286 Y HA 0.097 4.647 4.550 -0.000 0.000 0.265 286 Y C 1.417 177.428 175.900 0.185 0.000 1.111 286 Y CA 0.140 58.313 58.100 0.121 0.000 1.288 286 Y CB 0.153 38.685 38.460 0.120 0.000 1.082 286 Y HN -0.037 nan 8.280 nan 0.000 0.536 287 L N -0.237 121.214 121.223 0.379 0.000 2.261 287 L HA -0.249 4.091 4.340 -0.000 0.000 0.216 287 L C 2.382 179.384 176.870 0.221 0.000 1.114 287 L CA 1.768 56.827 54.840 0.366 0.000 0.777 287 L CB -0.518 41.718 42.059 0.295 0.000 0.910 287 L HN 0.277 nan 8.230 nan 0.000 0.440 288 S N -1.900 113.887 115.700 0.143 0.000 2.561 288 S HA -0.091 4.379 4.470 -0.000 0.000 0.225 288 S C 1.817 176.458 174.600 0.069 0.000 0.977 288 S CA 0.810 59.061 58.200 0.085 0.000 0.926 288 S CB -0.488 62.739 63.200 0.046 0.000 0.769 288 S HN 0.553 nan 8.310 nan 0.000 0.533 289 T N -2.791 111.817 114.554 0.090 0.000 3.065 289 T HA 0.415 4.765 4.350 -0.000 0.000 0.252 289 T C 1.520 176.251 174.700 0.052 0.000 1.099 289 T CA 0.518 62.652 62.100 0.057 0.000 1.063 289 T CB -0.547 68.357 68.868 0.059 0.000 0.948 289 T HN 1.213 nan 8.240 nan 0.000 0.506 290 G N 1.388 110.246 108.800 0.096 0.000 2.246 290 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.273 290 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.273 290 G C 0.531 175.440 174.900 0.015 0.000 1.055 290 G CA 0.084 45.237 45.100 0.089 0.000 0.851 290 G HN 1.039 nan 8.290 nan 0.000 0.500 291 V N -2.988 116.867 119.914 -0.098 0.000 3.636 291 V HA 0.546 4.666 4.120 -0.000 0.000 0.279 291 V C 0.918 176.683 176.094 -0.549 0.000 1.263 291 V CA 0.398 62.448 62.300 -0.416 0.000 1.182 291 V CB -1.159 30.234 31.823 -0.717 0.000 0.955 291 V HN 0.304 nan 8.190 nan 0.000 0.443 292 F N 0.000 120.001 119.950 0.084 0.000 2.286 292 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 292 F CA 0.000 58.059 58.000 0.098 0.000 1.383 292 F CB 0.000 39.104 39.000 0.173 0.000 1.145 292 F HN 0.000 nan 8.300 nan 0.000 0.574