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 2jc3_1_H DATA FIRST_RESID 1 DATA SEQUENCE MNTLEQTIGN TPLVKLQRIG PDNGSEIWVK LEGNNPAGSV KDRAALSMIV DATA SEQUENCE EAEKRGEIKP GDVLIEATSG NTGIALAMIA ALKGYRMKLL MPDNMSQERR DATA SEQUENCE AAMRAYGAEL ILVTKEQGME GARDLALAMS ERGEGKLLDQ FNNPDNPYAH DATA SEQUENCE YTTTGPEIWR QTSGRITHFV SSMGTTGTIT GVSRFLREQE KPVTIVGLQP DATA SEQUENCE EEGSSIPGIR RWPAEYMPGI FNASLVDEVL DIHQNDAENT MRELAVREGI DATA SEQUENCE FCGVSSGGAV AGALRVARAT PGAIVVAIIC DRGDRYLSTG VFGE 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 0.000 176.302 176.300 0.003 0.000 1.140 1 M CA 0.000 55.301 55.300 0.002 0.000 0.988 1 M CB 0.000 32.603 32.600 0.004 0.000 1.302 2 N N 0.227 118.930 118.700 0.005 0.000 2.416 2 N HA 0.227 4.967 4.740 -0.000 0.000 0.267 2 N C -0.743 174.773 175.510 0.009 0.000 1.294 2 N CA -0.014 53.039 53.050 0.006 0.000 0.891 2 N CB 0.496 38.986 38.487 0.006 0.000 1.238 2 N HN 0.628 nan 8.380 nan 0.000 0.508 3 T N -3.648 110.912 114.554 0.010 0.000 2.937 3 T HA 0.325 4.675 4.350 -0.000 0.000 0.283 3 T C 0.900 175.609 174.700 0.015 0.000 1.012 3 T CA -0.890 61.219 62.100 0.014 0.000 0.997 3 T CB 0.975 69.852 68.868 0.016 0.000 1.136 3 T HN -0.048 nan 8.240 nan 0.000 0.551 4 L N 0.703 121.939 121.223 0.021 0.000 2.189 4 L HA -0.043 4.297 4.340 -0.000 0.000 0.214 4 L C 2.635 179.514 176.870 0.015 0.000 1.097 4 L CA 2.205 57.059 54.840 0.023 0.000 0.764 4 L CB -1.013 41.067 42.059 0.035 0.000 0.900 4 L HN 0.984 nan 8.230 nan 0.000 0.436 5 E N -1.059 119.148 120.200 0.012 0.000 2.160 5 E HA -0.302 4.048 4.350 -0.000 0.000 0.195 5 E C 1.828 178.426 176.600 -0.003 0.000 0.991 5 E CA 1.254 57.656 56.400 0.003 0.000 0.810 5 E CB 0.005 29.709 29.700 0.006 0.000 0.742 5 E HN 0.555 nan 8.360 nan 0.000 0.466 6 Q N -0.571 119.229 119.800 -0.000 0.000 2.482 6 Q HA -0.018 4.322 4.340 -0.000 0.000 0.209 6 Q C 1.528 177.526 176.000 -0.003 0.000 0.961 6 Q CA 1.326 57.126 55.803 -0.005 0.000 0.945 6 Q CB 0.393 29.130 28.738 -0.003 0.000 1.012 6 Q HN 0.379 nan 8.270 nan 0.000 0.515 7 T N -3.292 111.263 114.554 0.002 0.000 3.122 7 T HA 0.286 4.636 4.350 -0.000 0.000 0.250 7 T C 0.515 175.218 174.700 0.005 0.000 1.067 7 T CA -0.187 61.918 62.100 0.007 0.000 0.966 7 T CB 0.000 68.878 68.868 0.017 0.000 1.002 7 T HN 0.004 nan 8.240 nan 0.000 0.542 8 I N 2.157 122.723 120.570 -0.006 0.000 2.396 8 I HA 0.552 4.722 4.170 -0.000 0.000 0.292 8 I C 1.236 177.341 176.117 -0.021 0.000 0.999 8 I CA 0.210 61.503 61.300 -0.012 0.000 1.310 8 I CB 0.772 38.757 38.000 -0.024 0.000 1.404 8 I HN 0.563 nan 8.210 nan 0.000 0.496 9 G N 5.028 113.819 108.800 -0.015 0.000 2.760 9 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.246 9 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.246 9 G C 0.027 174.920 174.900 -0.011 0.000 1.359 9 G CA -0.424 44.662 45.100 -0.023 0.000 0.861 9 G HN 0.783 nan 8.290 nan 0.000 0.541 10 N N -0.361 118.327 118.700 -0.020 0.000 2.727 10 N HA -0.199 4.540 4.740 -0.000 0.000 0.249 10 N C 0.866 176.383 175.510 0.012 0.000 1.048 10 N CA 2.138 55.181 53.050 -0.011 0.000 0.714 10 N CB -1.545 36.933 38.487 -0.015 0.000 0.959 10 N HN 1.752 nan 8.380 nan 0.000 0.544 11 T N -1.540 113.029 114.554 0.026 0.000 2.868 11 T HA 0.437 4.786 4.350 -0.000 0.000 0.292 11 T C -2.058 172.675 174.700 0.056 0.000 1.028 11 T CA -1.280 60.847 62.100 0.045 0.000 1.059 11 T CB 1.944 70.849 68.868 0.060 0.000 0.991 11 T HN -0.000 nan 8.240 nan 0.000 0.531 12 P HA 0.288 nan 4.420 nan 0.000 0.272 12 P C -1.020 176.348 177.300 0.114 0.000 1.223 12 P CA -0.640 62.510 63.100 0.082 0.000 0.784 12 P CB 0.625 32.373 31.700 0.080 0.000 0.923 13 L N 4.155 125.465 121.223 0.145 0.000 2.342 13 L HA 0.434 4.774 4.340 -0.000 0.000 0.276 13 L C -0.587 176.493 176.870 0.352 0.000 0.997 13 L CA -0.761 54.212 54.840 0.221 0.000 0.838 13 L CB 1.301 43.458 42.059 0.162 0.000 1.224 13 L HN 0.252 nan 8.230 nan 0.000 0.416 14 V N 1.930 122.037 119.914 0.321 0.000 2.864 14 V HA 0.625 4.745 4.120 -0.000 0.000 0.314 14 V C -0.502 175.602 176.094 0.018 0.000 1.073 14 V CA -0.986 61.449 62.300 0.225 0.000 0.956 14 V CB 1.758 33.632 31.823 0.086 0.000 1.023 14 V HN 0.812 nan 8.190 nan 0.000 0.435 15 K N 3.568 123.677 120.400 -0.485 0.000 2.258 15 K HA 0.524 4.844 4.320 -0.000 0.000 0.284 15 K C -0.478 175.848 176.600 -0.457 0.000 1.051 15 K CA -0.646 55.066 56.287 -0.959 0.000 0.923 15 K CB 0.866 32.390 32.500 -1.627 0.000 1.046 15 K HN 0.831 nan 8.250 nan 0.000 0.474 16 L N 4.758 125.778 121.223 -0.339 0.000 2.490 16 L HA -0.041 4.299 4.340 -0.000 0.000 0.274 16 L C 1.228 177.981 176.870 -0.195 0.000 1.201 16 L CA 0.367 55.094 54.840 -0.188 0.000 0.869 16 L CB 0.679 42.665 42.059 -0.123 0.000 1.123 16 L HN 0.806 nan 8.230 nan 0.000 0.484 17 Q N 1.917 121.639 119.800 -0.131 0.000 2.391 17 Q HA 0.094 4.434 4.340 -0.000 0.000 0.211 17 Q C 1.272 177.227 176.000 -0.076 0.000 0.908 17 Q CA 0.556 56.293 55.803 -0.109 0.000 0.920 17 Q CB 0.671 29.360 28.738 -0.082 0.000 1.056 17 Q HN 0.610 nan 8.270 nan 0.000 0.523 18 R N 0.034 120.497 120.500 -0.062 0.000 2.444 18 R HA 0.254 4.594 4.340 -0.000 0.000 0.201 18 R C 1.047 177.323 176.300 -0.039 0.000 0.861 18 R CA -0.013 56.061 56.100 -0.044 0.000 1.034 18 R CB 0.521 30.803 30.300 -0.031 0.000 1.347 18 R HN 0.113 nan 8.270 nan 0.000 0.659 19 I N 0.020 120.567 120.570 -0.038 0.000 2.945 19 I HA 0.594 4.764 4.170 -0.000 0.000 0.292 19 I C 0.395 176.490 176.117 -0.037 0.000 1.093 19 I CA -0.092 61.189 61.300 -0.032 0.000 1.336 19 I CB 0.587 38.572 38.000 -0.024 0.000 1.435 19 I HN 0.246 nan 8.210 nan 0.000 0.593 20 G N 3.196 111.978 108.800 -0.030 0.000 2.675 20 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.686 20 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.686 20 G C -2.705 172.179 174.900 -0.027 0.000 1.215 20 G CA -0.699 44.383 45.100 -0.030 0.000 0.777 20 G HN 0.848 nan 8.290 nan 0.000 0.638 21 P HA 0.328 nan 4.420 nan 0.000 0.272 21 P C -0.533 176.757 177.300 -0.017 0.000 1.223 21 P CA -0.032 63.057 63.100 -0.019 0.000 0.784 21 P CB 1.126 32.816 31.700 -0.017 0.000 0.923 22 D N 1.003 121.394 120.400 -0.014 0.000 3.110 22 D HA 0.036 4.676 4.640 -0.000 0.000 0.254 22 D C 0.382 176.679 176.300 -0.006 0.000 1.283 22 D CA -0.373 53.620 54.000 -0.012 0.000 0.944 22 D CB -1.372 39.421 40.800 -0.011 0.000 1.066 22 D HN 0.400 nan 8.370 nan 0.000 0.496 23 N N -0.096 118.601 118.700 -0.004 0.000 2.338 23 N HA 0.240 4.980 4.740 -0.000 0.000 0.251 23 N C 1.075 176.589 175.510 0.007 0.000 1.199 23 N CA -0.256 52.794 53.050 0.001 0.000 0.879 23 N CB 0.859 39.345 38.487 -0.002 0.000 1.159 23 N HN 0.168 nan 8.380 nan 0.000 0.514 24 G N 0.919 109.725 108.800 0.010 0.000 2.225 24 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.254 24 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.254 24 G C 0.155 175.075 174.900 0.033 0.000 0.988 24 G CA 0.419 45.532 45.100 0.021 0.000 0.625 24 G HN 0.694 nan 8.290 nan 0.000 0.527 25 S N 0.108 115.823 115.700 0.023 0.000 2.586 25 S HA 0.695 5.165 4.470 -0.000 0.000 0.274 25 S C -0.248 174.377 174.600 0.043 0.000 1.281 25 S CA -0.255 57.967 58.200 0.036 0.000 1.035 25 S CB 2.069 65.273 63.200 0.007 0.000 0.962 25 S HN 0.503 nan 8.310 nan 0.000 0.512 26 E N 1.136 121.394 120.200 0.097 0.000 2.227 26 E HA 0.538 4.888 4.350 -0.000 0.000 0.268 26 E C -1.021 175.657 176.600 0.130 0.000 0.907 26 E CA -0.674 55.782 56.400 0.093 0.000 0.786 26 E CB 1.852 31.705 29.700 0.254 0.000 1.191 26 E HN 0.578 nan 8.360 nan 0.000 0.411 27 I N 2.386 122.945 120.570 -0.018 0.000 2.382 27 I HA 0.298 4.467 4.170 -0.000 0.000 0.285 27 I C -1.176 174.921 176.117 -0.033 0.000 1.007 27 I CA -0.652 60.675 61.300 0.046 0.000 1.142 27 I CB 0.704 38.701 38.000 -0.004 0.000 1.289 27 I HN 0.387 nan 8.210 nan 0.000 0.453 28 W N 6.376 127.701 121.300 0.043 0.000 2.520 28 W HA 0.586 5.246 4.660 -0.000 0.000 0.323 28 W C -0.346 176.207 176.519 0.057 0.000 1.062 28 W CA -0.862 56.513 57.345 0.050 0.000 1.215 28 W CB 1.635 31.131 29.460 0.060 0.000 1.340 28 W HN 0.152 nan 8.180 nan 0.000 0.516 29 V N 1.108 121.179 119.914 0.262 0.000 2.459 29 V HA 0.588 4.708 4.120 -0.000 0.000 0.295 29 V C -0.532 175.678 176.094 0.192 0.000 1.029 29 V CA -1.530 60.878 62.300 0.180 0.000 0.874 29 V CB 1.474 33.356 31.823 0.099 0.000 0.985 29 V HN 0.401 nan 8.190 nan 0.000 0.438 30 K N 4.838 125.345 120.400 0.177 0.000 2.267 30 K HA 0.509 4.828 4.320 -0.000 0.000 0.282 30 K C -0.462 176.213 176.600 0.126 0.000 1.078 30 K CA -0.395 55.990 56.287 0.163 0.000 0.903 30 K CB 0.399 33.015 32.500 0.194 0.000 1.111 30 K HN 0.865 nan 8.250 nan 0.000 0.475 31 L N 5.420 126.709 121.223 0.110 0.000 2.384 31 L HA 0.157 4.497 4.340 -0.000 0.000 0.258 31 L C 0.834 177.754 176.870 0.084 0.000 1.266 31 L CA -0.283 54.611 54.840 0.090 0.000 1.162 31 L CB 0.280 42.389 42.059 0.084 0.000 1.375 31 L HN 0.617 nan 8.230 nan 0.000 0.420 32 E N 1.834 122.087 120.200 0.088 0.000 2.409 32 E HA -0.084 4.266 4.350 -0.000 0.000 0.198 32 E C 1.958 178.603 176.600 0.076 0.000 1.024 32 E CA 0.677 57.129 56.400 0.087 0.000 0.861 32 E CB 0.282 30.044 29.700 0.103 0.000 0.788 32 E HN 0.765 nan 8.360 nan 0.000 0.521 33 G N 1.031 109.874 108.800 0.071 0.000 2.559 33 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 33 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 33 G C 1.454 176.394 174.900 0.067 0.000 1.126 33 G CA 0.160 45.301 45.100 0.068 0.000 0.778 33 G HN 0.195 nan 8.290 nan 0.000 0.543 34 N N 0.350 119.088 118.700 0.064 0.000 2.457 34 N HA -0.002 4.737 4.740 -0.000 0.000 0.180 34 N C 0.703 176.243 175.510 0.051 0.000 1.050 34 N CA -0.109 52.976 53.050 0.058 0.000 0.906 34 N CB -0.140 38.380 38.487 0.056 0.000 0.968 34 N HN 0.390 nan 8.380 nan 0.000 0.445 35 N N 0.901 119.632 118.700 0.050 0.000 2.374 35 N HA -0.035 4.705 4.740 -0.000 0.000 0.241 35 N C -1.512 174.025 175.510 0.045 0.000 1.262 35 N CA -0.838 52.236 53.050 0.040 0.000 0.880 35 N CB 0.743 39.252 38.487 0.036 0.000 1.105 35 N HN 0.110 nan 8.380 nan 0.000 0.438 36 P HA -0.238 nan 4.420 nan 0.000 0.216 36 P C 0.071 177.419 177.300 0.079 0.000 1.154 36 P CA 1.652 64.785 63.100 0.054 0.000 0.865 36 P CB 0.078 31.803 31.700 0.041 0.000 0.789 37 A N -1.284 121.573 122.820 0.062 0.000 2.462 37 A HA 0.536 4.856 4.320 -0.000 0.000 0.261 37 A C 1.478 179.114 177.584 0.087 0.000 1.323 37 A CA 0.371 52.466 52.037 0.097 0.000 0.913 37 A CB -0.998 18.012 19.000 0.016 0.000 1.028 37 A HN 0.273 nan 8.150 nan 0.000 0.511 38 G N -0.540 108.305 108.800 0.075 0.000 2.148 38 G HA2 -0.144 3.815 3.960 -0.000 0.000 0.254 38 G HA3 -0.144 3.815 3.960 -0.000 0.000 0.254 38 G C 0.296 175.240 174.900 0.072 0.000 0.981 38 G CA 0.971 46.116 45.100 0.074 0.000 0.670 38 G HN 2.065 nan 8.290 nan 0.000 0.528 39 S N -2.690 113.049 115.700 0.065 0.000 2.596 39 S HA 0.601 5.071 4.470 -0.000 0.000 0.270 39 S C 0.760 175.403 174.600 0.072 0.000 1.155 39 S CA 0.506 58.749 58.200 0.072 0.000 0.827 39 S CB 1.478 64.722 63.200 0.073 0.000 1.130 39 S HN 1.423 nan 8.310 nan 0.000 0.467 40 V N 1.942 121.911 119.914 0.091 0.000 2.688 40 V HA -0.103 4.017 4.120 -0.000 0.000 0.256 40 V C 1.972 178.138 176.094 0.120 0.000 1.084 40 V CA 1.953 64.326 62.300 0.122 0.000 1.103 40 V CB -0.900 31.009 31.823 0.143 0.000 0.688 40 V HN 0.834 nan 8.190 nan 0.000 0.480 41 K N 0.122 120.570 120.400 0.080 0.000 2.280 41 K HA -0.134 4.186 4.320 -0.000 0.000 0.202 41 K C 1.651 178.260 176.600 0.014 0.000 1.047 41 K CA 1.366 57.684 56.287 0.052 0.000 0.942 41 K CB -0.673 31.842 32.500 0.026 0.000 0.739 41 K HN 0.546 nan 8.250 nan 0.000 0.457 42 D N 0.551 120.956 120.400 0.008 0.000 2.182 42 D HA -0.136 4.504 4.640 -0.000 0.000 0.201 42 D C 1.952 178.229 176.300 -0.038 0.000 0.986 42 D CA 0.886 54.872 54.000 -0.023 0.000 0.847 42 D CB 0.005 40.796 40.800 -0.015 0.000 0.942 42 D HN 0.216 nan 8.370 nan 0.000 0.467 43 R N 0.491 120.969 120.500 -0.036 0.000 2.062 43 R HA 0.014 4.354 4.340 -0.000 0.000 0.231 43 R C 2.284 178.505 176.300 -0.131 0.000 1.136 43 R CA 1.328 57.362 56.100 -0.111 0.000 0.948 43 R CB -0.340 29.845 30.300 -0.192 0.000 0.845 43 R HN 0.123 nan 8.270 nan 0.000 0.430 44 A N 1.244 124.015 122.820 -0.082 0.000 1.969 44 A HA -0.023 4.297 4.320 -0.000 0.000 0.218 44 A C 2.357 179.911 177.584 -0.050 0.000 1.169 44 A CA 1.433 53.440 52.037 -0.050 0.000 0.635 44 A CB -0.489 18.526 19.000 0.025 0.000 0.810 44 A HN 0.393 nan 8.150 nan 0.000 0.445 45 A N -0.234 122.555 122.820 -0.053 0.000 1.877 45 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 45 A C 2.148 179.687 177.584 -0.074 0.000 1.186 45 A CA 1.748 53.744 52.037 -0.068 0.000 0.620 45 A CB -0.656 18.299 19.000 -0.074 0.000 0.822 45 A HN 0.697 nan 8.150 nan 0.000 0.443 46 L N -0.345 120.837 121.223 -0.068 0.000 2.017 46 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 46 L C 2.617 179.456 176.870 -0.051 0.000 1.073 46 L CA 2.638 57.442 54.840 -0.060 0.000 0.745 46 L CB -0.736 41.289 42.059 -0.055 0.000 0.894 46 L HN 0.338 nan 8.230 nan 0.000 0.432 47 S N -0.987 114.683 115.700 -0.050 0.000 2.368 47 S HA -0.230 4.239 4.470 -0.000 0.000 0.225 47 S C 2.043 176.644 174.600 0.001 0.000 1.030 47 S CA 1.807 60.000 58.200 -0.012 0.000 0.999 47 S CB -0.273 62.922 63.200 -0.009 0.000 0.844 47 S HN 0.506 nan 8.310 nan 0.000 0.459 48 M N 0.293 119.878 119.600 -0.026 0.000 2.117 48 M HA -0.063 4.417 4.480 -0.000 0.000 0.262 48 M C 2.071 178.329 176.300 -0.070 0.000 1.065 48 M CA 1.550 56.827 55.300 -0.038 0.000 1.114 48 M CB -0.507 32.062 32.600 -0.053 0.000 1.361 48 M HN 0.371 nan 8.290 nan 0.000 0.408 49 I N -0.771 119.736 120.570 -0.104 0.000 2.286 49 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 49 I C 2.300 178.357 176.117 -0.100 0.000 1.104 49 I CA 0.773 61.972 61.300 -0.169 0.000 1.397 49 I CB -0.242 37.609 38.000 -0.248 0.000 1.072 49 I HN 0.035 nan 8.210 nan 0.000 0.417 50 V N 0.676 120.563 119.914 -0.045 0.000 2.343 50 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 50 V C 2.480 178.580 176.094 0.011 0.000 1.051 50 V CA 1.687 63.986 62.300 -0.001 0.000 1.036 50 V CB -0.573 31.257 31.823 0.011 0.000 0.654 50 V HN 0.387 nan 8.190 nan 0.000 0.451 51 E N 0.346 120.554 120.200 0.014 0.000 2.106 51 E HA -0.123 4.226 4.350 -0.000 0.000 0.192 51 E C 2.327 178.921 176.600 -0.010 0.000 0.984 51 E CA 1.401 57.810 56.400 0.015 0.000 0.806 51 E CB -0.551 29.161 29.700 0.021 0.000 0.750 51 E HN 0.572 nan 8.360 nan 0.000 0.458 52 A N 1.335 124.138 122.820 -0.028 0.000 1.969 52 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 52 A C 2.050 179.629 177.584 -0.008 0.000 1.169 52 A CA 1.356 53.373 52.037 -0.032 0.000 0.635 52 A CB -0.350 18.613 19.000 -0.062 0.000 0.810 52 A HN 0.200 nan 8.150 nan 0.000 0.445 53 E N -0.139 120.063 120.200 0.004 0.000 2.047 53 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 53 E C 1.997 178.616 176.600 0.032 0.000 0.987 53 E CA 1.260 57.687 56.400 0.044 0.000 0.799 53 E CB -0.159 29.584 29.700 0.073 0.000 0.752 53 E HN 0.552 nan 8.360 nan 0.000 0.449 54 K N 0.511 120.925 120.400 0.022 0.000 2.160 54 K HA -0.136 4.184 4.320 -0.000 0.000 0.206 54 K C 1.973 178.578 176.600 0.008 0.000 1.047 54 K CA 1.026 57.324 56.287 0.017 0.000 0.930 54 K CB -0.046 32.464 32.500 0.016 0.000 0.720 54 K HN 0.007 nan 8.250 nan 0.000 0.450 55 R N -0.616 119.885 120.500 0.001 0.000 2.313 55 R HA 0.014 4.354 4.340 -0.000 0.000 0.199 55 R C 1.072 177.374 176.300 0.003 0.000 0.958 55 R CA 0.590 56.687 56.100 -0.005 0.000 1.047 55 R CB 0.359 30.649 30.300 -0.016 0.000 0.955 55 R HN 0.407 nan 8.270 nan 0.000 0.481 56 G N 1.397 110.205 108.800 0.013 0.000 2.184 56 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.264 56 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.264 56 G C 0.636 175.550 174.900 0.022 0.000 0.975 56 G CA 0.617 45.729 45.100 0.019 0.000 0.642 56 G HN 0.455 nan 8.290 nan 0.000 0.536 57 E N -0.287 119.923 120.200 0.017 0.000 2.150 57 E HA 0.151 4.501 4.350 -0.000 0.000 0.193 57 E C 1.523 178.145 176.600 0.036 0.000 0.985 57 E CA 1.238 57.647 56.400 0.016 0.000 0.814 57 E CB 0.046 29.746 29.700 -0.000 0.000 0.752 57 E HN 0.920 nan 8.360 nan 0.000 0.466 58 I N -1.955 118.651 120.570 0.059 0.000 3.095 58 I HA 0.487 4.656 4.170 -0.000 0.000 0.310 58 I C -1.228 175.006 176.117 0.195 0.000 1.196 58 I CA -1.349 60.028 61.300 0.129 0.000 0.985 58 I CB 2.373 40.443 38.000 0.117 0.000 1.250 58 I HN -0.249 nan 8.210 nan 0.000 0.446 59 K N 1.710 122.259 120.400 0.248 0.000 2.536 59 K HA 0.631 4.951 4.320 -0.000 0.000 0.269 59 K C -3.276 173.281 176.600 -0.072 0.000 0.965 59 K CA -1.855 54.513 56.287 0.135 0.000 0.860 59 K CB 1.698 34.223 32.500 0.043 0.000 1.423 59 K HN 0.236 nan 8.250 nan 0.000 0.438 60 P HA -0.064 nan 4.420 nan 0.000 0.261 60 P C 0.580 177.640 177.300 -0.400 0.000 1.173 60 P CA 2.062 64.735 63.100 -0.712 0.000 0.760 60 P CB 0.364 31.821 31.700 -0.405 0.000 0.783 61 G N 2.074 110.624 108.800 -0.417 0.000 2.259 61 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.217 61 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.217 61 G C 0.086 174.956 174.900 -0.050 0.000 1.001 61 G CA -0.309 44.693 45.100 -0.163 0.000 0.627 61 G HN 0.492 nan 8.290 nan 0.000 0.501 62 D N 0.428 120.836 120.400 0.015 0.000 2.361 62 D HA 0.453 5.092 4.640 -0.000 0.000 0.239 62 D C 0.774 177.185 176.300 0.185 0.000 1.200 62 D CA 0.004 54.083 54.000 0.133 0.000 0.915 62 D CB 1.323 42.245 40.800 0.203 0.000 1.170 62 D HN 0.219 nan 8.370 nan 0.000 0.444 63 V N 1.673 121.660 119.914 0.123 0.000 2.509 63 V HA 0.229 4.349 4.120 -0.000 0.000 0.284 63 V C -0.073 176.070 176.094 0.082 0.000 1.047 63 V CA -0.596 61.763 62.300 0.098 0.000 0.952 63 V CB 1.230 33.088 31.823 0.059 0.000 0.988 63 V HN 0.247 nan 8.190 nan 0.000 0.469 64 L N 5.892 127.152 121.223 0.061 0.000 2.346 64 L HA 0.649 4.989 4.340 -0.000 0.000 0.274 64 L C -0.330 176.545 176.870 0.009 0.000 1.007 64 L CA -0.223 54.621 54.840 0.005 0.000 0.818 64 L CB 1.698 43.728 42.059 -0.049 0.000 1.284 64 L HN 0.459 nan 8.230 nan 0.000 0.424 65 I N 1.962 122.532 120.570 0.000 0.000 2.545 65 I HA 0.609 4.779 4.170 -0.000 0.000 0.292 65 I C -0.852 175.269 176.117 0.007 0.000 1.040 65 I CA -0.663 60.644 61.300 0.010 0.000 1.068 65 I CB 2.479 40.490 38.000 0.018 0.000 1.251 65 I HN 0.527 nan 8.210 nan 0.000 0.424 66 E N 3.863 124.072 120.200 0.015 0.000 2.381 66 E HA 0.638 4.988 4.350 -0.000 0.000 0.286 66 E C -1.641 174.982 176.600 0.038 0.000 0.960 66 E CA -0.573 55.840 56.400 0.022 0.000 0.793 66 E CB 1.960 31.661 29.700 0.001 0.000 1.225 66 E HN 0.661 nan 8.360 nan 0.000 0.420 67 A N 3.166 126.023 122.820 0.061 0.000 2.279 67 A HA 0.702 5.021 4.320 -0.000 0.000 0.306 67 A C -0.213 177.425 177.584 0.090 0.000 1.300 67 A CA 0.482 52.564 52.037 0.074 0.000 0.925 67 A CB 0.523 19.578 19.000 0.091 0.000 1.152 67 A HN 0.536 nan 8.150 nan 0.000 0.544 68 T N 0.169 114.764 114.554 0.068 0.000 2.717 68 T HA 0.449 4.799 4.350 -0.000 0.000 0.315 68 T C -0.041 174.687 174.700 0.047 0.000 1.746 68 T CA 0.347 62.488 62.100 0.069 0.000 1.001 68 T CB 0.573 69.469 68.868 0.047 0.000 1.673 68 T HN 1.626 nan 8.240 nan 0.000 0.498 69 S N -0.117 115.608 115.700 0.042 0.000 2.976 69 S HA 0.462 4.931 4.470 -0.000 0.000 0.252 69 S C 0.763 175.374 174.600 0.019 0.000 0.940 69 S CA 0.457 58.674 58.200 0.028 0.000 1.283 69 S CB 0.103 63.318 63.200 0.025 0.000 1.194 69 S HN 1.141 nan 8.310 nan 0.000 0.662 70 G N 2.274 111.087 108.800 0.021 0.000 3.134 70 G HA2 0.354 4.314 3.960 -0.000 0.000 0.158 70 G HA3 0.354 4.314 3.960 -0.000 0.000 0.158 70 G C 0.592 175.497 174.900 0.010 0.000 1.334 70 G CA -0.259 44.846 45.100 0.008 0.000 1.001 70 G HN 0.207 nan 8.290 nan 0.000 0.600 71 N N 0.132 118.841 118.700 0.015 0.000 2.149 71 N HA -0.106 4.633 4.740 -0.000 0.000 0.188 71 N C 2.290 177.805 175.510 0.008 0.000 1.019 71 N CA 1.679 54.740 53.050 0.020 0.000 0.857 71 N CB -0.549 37.962 38.487 0.040 0.000 0.997 71 N HN 0.353 nan 8.380 nan 0.000 0.426 72 T N -0.072 114.483 114.554 0.002 0.000 2.746 72 T HA -0.086 4.263 4.350 -0.000 0.000 0.267 72 T C 1.878 176.564 174.700 -0.023 0.000 1.039 72 T CA 1.460 63.548 62.100 -0.020 0.000 1.142 72 T CB -0.611 68.232 68.868 -0.041 0.000 0.866 72 T HN 0.409 nan 8.240 nan 0.000 0.444 73 G N 1.039 109.836 108.800 -0.005 0.000 2.402 73 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.216 73 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.216 73 G C 1.537 176.433 174.900 -0.006 0.000 1.162 73 G CA 0.353 45.453 45.100 -0.000 0.000 0.777 73 G HN 0.481 nan 8.290 nan 0.000 0.539 74 I N 1.382 121.956 120.570 0.007 0.000 2.179 74 I HA -0.177 3.993 4.170 -0.000 0.000 0.242 74 I C 3.286 179.334 176.117 -0.113 0.000 1.088 74 I CA 1.022 62.332 61.300 0.017 0.000 1.357 74 I CB -0.199 37.842 38.000 0.067 0.000 1.051 74 I HN 0.242 nan 8.210 nan 0.000 0.409 75 A N 0.785 123.553 122.820 -0.087 0.000 1.902 75 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 75 A C 2.295 179.784 177.584 -0.157 0.000 1.181 75 A CA 1.379 53.342 52.037 -0.124 0.000 0.623 75 A CB -0.757 18.205 19.000 -0.063 0.000 0.818 75 A HN 0.377 nan 8.150 nan 0.000 0.443 76 L N -0.961 120.193 121.223 -0.114 0.000 2.109 76 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 76 L C 3.089 179.887 176.870 -0.120 0.000 1.086 76 L CA 0.883 55.661 54.840 -0.104 0.000 0.760 76 L CB -0.494 41.523 42.059 -0.070 0.000 0.910 76 L HN 0.428 nan 8.230 nan 0.000 0.437 77 A N -0.265 122.477 122.820 -0.129 0.000 1.902 77 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 77 A C 2.339 179.743 177.584 -0.300 0.000 1.181 77 A CA 1.850 53.821 52.037 -0.110 0.000 0.623 77 A CB -0.525 18.477 19.000 0.003 0.000 0.818 77 A HN 0.365 nan 8.150 nan 0.000 0.443 78 M N -0.117 119.079 119.600 -0.673 0.000 2.099 78 M HA -0.091 4.389 4.480 -0.000 0.000 0.262 78 M C 1.819 177.935 176.300 -0.306 0.000 1.067 78 M CA 1.814 56.587 55.300 -0.879 0.000 1.124 78 M CB -0.663 31.367 32.600 -0.949 0.000 1.353 78 M HN 0.341 nan 8.290 nan 0.000 0.410 79 I N 0.968 121.419 120.570 -0.199 0.000 2.361 79 I HA -0.204 3.965 4.170 -0.000 0.000 0.251 79 I C 2.649 178.765 176.117 -0.002 0.000 1.133 79 I CA 1.383 62.633 61.300 -0.083 0.000 1.413 79 I CB -1.831 36.119 38.000 -0.083 0.000 1.073 79 I HN 0.289 nan 8.210 nan 0.000 0.424 80 A N 0.860 123.679 122.820 -0.002 0.000 1.898 80 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 80 A C 2.581 180.235 177.584 0.118 0.000 1.181 80 A CA 1.737 53.843 52.037 0.115 0.000 0.620 80 A CB -0.653 18.399 19.000 0.087 0.000 0.819 80 A HN 0.394 nan 8.150 nan 0.000 0.442 81 A N -0.541 122.317 122.820 0.064 0.000 1.930 81 A HA 0.026 4.346 4.320 -0.000 0.000 0.217 81 A C 2.125 179.754 177.584 0.076 0.000 1.175 81 A CA 1.648 53.740 52.037 0.092 0.000 0.627 81 A CB -0.581 18.515 19.000 0.161 0.000 0.815 81 A HN 0.648 nan 8.150 nan 0.000 0.443 82 L N -0.243 121.013 121.223 0.055 0.000 1.994 82 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 82 L C 1.891 178.796 176.870 0.057 0.000 1.071 82 L CA 2.233 57.103 54.840 0.050 0.000 0.745 82 L CB -0.366 41.709 42.059 0.027 0.000 0.892 82 L HN 0.298 nan 8.230 nan 0.000 0.431 83 K N -0.591 119.867 120.400 0.095 0.000 2.404 83 K HA 0.296 4.616 4.320 -0.000 0.000 0.194 83 K C 0.677 177.288 176.600 0.018 0.000 1.023 83 K CA 0.558 56.915 56.287 0.116 0.000 1.094 83 K CB 0.083 32.734 32.500 0.252 0.000 0.841 83 K HN 0.542 nan 8.250 nan 0.000 0.523 84 G N 1.354 110.158 108.800 0.005 0.000 2.248 84 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.252 84 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.252 84 G C -0.666 174.074 174.900 -0.266 0.000 1.085 84 G CA -0.279 44.749 45.100 -0.120 0.000 0.845 84 G HN 0.211 nan 8.290 nan 0.000 0.494 85 Y N -0.888 119.414 120.300 0.004 0.000 2.528 85 Y HA 0.700 5.250 4.550 -0.000 0.000 0.335 85 Y C 1.113 177.017 175.900 0.008 0.000 1.093 85 Y CA -1.062 57.040 58.100 0.003 0.000 1.134 85 Y CB 1.295 39.754 38.460 -0.003 0.000 1.253 85 Y HN 0.123 nan 8.280 nan 0.000 0.478 86 R N 2.008 122.609 120.500 0.169 0.000 2.204 86 R HA 0.355 4.695 4.340 -0.000 0.000 0.341 86 R C -0.987 175.373 176.300 0.100 0.000 1.035 86 R CA -0.631 55.530 56.100 0.101 0.000 0.887 86 R CB 0.730 31.071 30.300 0.069 0.000 1.114 86 R HN 0.490 nan 8.270 nan 0.000 0.473 87 M N 2.922 122.571 119.600 0.082 0.000 2.188 87 M HA 0.194 4.673 4.480 -0.000 0.000 0.357 87 M C -0.778 175.549 176.300 0.045 0.000 1.204 87 M CA 0.192 55.526 55.300 0.056 0.000 1.095 87 M CB 0.777 33.402 32.600 0.042 0.000 1.604 87 M HN 0.231 nan 8.290 nan 0.000 0.464 88 K N 6.094 126.515 120.400 0.035 0.000 2.394 88 K HA 0.559 4.879 4.320 -0.000 0.000 0.260 88 K C -1.558 175.059 176.600 0.028 0.000 0.967 88 K CA -0.431 55.875 56.287 0.033 0.000 0.855 88 K CB 1.267 33.786 32.500 0.032 0.000 1.101 88 K HN 0.667 nan 8.250 nan 0.000 0.433 89 L N 4.498 125.739 121.223 0.030 0.000 2.313 89 L HA 0.445 4.785 4.340 -0.000 0.000 0.283 89 L C -0.885 176.004 176.870 0.031 0.000 1.013 89 L CA -1.197 53.661 54.840 0.029 0.000 0.816 89 L CB 0.943 43.020 42.059 0.030 0.000 1.236 89 L HN 0.285 nan 8.230 nan 0.000 0.419 90 L N 5.433 126.677 121.223 0.034 0.000 2.309 90 L HA 0.698 5.038 4.340 -0.000 0.000 0.282 90 L C -0.025 176.868 176.870 0.038 0.000 1.036 90 L CA -0.000 54.861 54.840 0.035 0.000 0.806 90 L CB 1.587 43.669 42.059 0.037 0.000 1.220 90 L HN 0.622 nan 8.230 nan 0.000 0.429 91 M N 2.223 121.842 119.600 0.033 0.000 2.643 91 M HA 0.629 5.109 4.480 -0.000 0.000 0.276 91 M C -3.039 173.275 176.300 0.024 0.000 1.200 91 M CA -1.624 53.695 55.300 0.032 0.000 0.863 91 M CB 2.505 35.123 32.600 0.029 0.000 1.711 91 M HN 0.108 nan 8.290 nan 0.000 0.492 92 P HA 0.099 nan 4.420 nan 0.000 0.272 92 P C -0.873 176.434 177.300 0.013 0.000 1.223 92 P CA 0.206 63.315 63.100 0.015 0.000 0.784 92 P CB 0.404 32.112 31.700 0.012 0.000 0.923 93 D N 2.082 122.489 120.400 0.011 0.000 2.767 93 D HA -0.008 4.632 4.640 -0.000 0.000 0.231 93 D C -0.075 176.229 176.300 0.007 0.000 1.105 93 D CA 0.054 54.059 54.000 0.009 0.000 1.024 93 D CB -1.558 39.248 40.800 0.009 0.000 1.123 93 D HN 0.266 nan 8.370 nan 0.000 0.470 94 N N 0.878 119.581 118.700 0.006 0.000 2.453 94 N HA 0.064 4.804 4.740 -0.000 0.000 0.267 94 N C -0.793 174.719 175.510 0.003 0.000 1.482 94 N CA -0.514 52.538 53.050 0.004 0.000 0.841 94 N CB -0.021 38.467 38.487 0.002 0.000 1.408 94 N HN -0.015 nan 8.380 nan 0.000 0.490 95 M N 1.307 120.910 119.600 0.005 0.000 2.249 95 M HA 0.358 4.838 4.480 -0.000 0.000 0.351 95 M C 0.753 177.054 176.300 0.002 0.000 1.180 95 M CA -0.518 54.784 55.300 0.003 0.000 1.127 95 M CB 1.229 33.833 32.600 0.006 0.000 1.546 95 M HN 0.389 nan 8.290 nan 0.000 0.461 96 S N 2.607 118.306 115.700 -0.001 0.000 2.598 96 S HA 0.072 4.542 4.470 -0.000 0.000 0.256 96 S C 0.922 175.522 174.600 -0.000 0.000 1.350 96 S CA -0.316 57.884 58.200 -0.001 0.000 0.984 96 S CB 0.746 63.944 63.200 -0.004 0.000 0.930 96 S HN 0.628 nan 8.310 nan 0.000 0.577 97 Q N 0.675 120.475 119.800 0.000 0.000 2.123 97 Q HA -0.028 4.311 4.340 -0.000 0.000 0.199 97 Q C 2.123 178.122 176.000 -0.002 0.000 0.966 97 Q CA 1.567 57.370 55.803 0.001 0.000 0.845 97 Q CB -0.529 28.210 28.738 0.001 0.000 0.907 97 Q HN 0.858 nan 8.270 nan 0.000 0.439 98 E N 0.306 120.504 120.200 -0.004 0.000 2.150 98 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 98 E C 2.057 178.651 176.600 -0.011 0.000 0.985 98 E CA 0.456 56.851 56.400 -0.008 0.000 0.814 98 E CB -0.012 29.683 29.700 -0.009 0.000 0.752 98 E HN 0.159 nan 8.360 nan 0.000 0.466 99 R N 0.865 121.357 120.500 -0.012 0.000 2.092 99 R HA -0.071 4.269 4.340 -0.000 0.000 0.231 99 R C 2.220 178.521 176.300 0.002 0.000 1.119 99 R CA 1.104 57.195 56.100 -0.014 0.000 0.970 99 R CB 0.131 30.421 30.300 -0.017 0.000 0.864 99 R HN -0.003 nan 8.270 nan 0.000 0.440 100 R N -0.514 119.989 120.500 0.005 0.000 2.073 100 R HA 0.010 4.350 4.340 -0.000 0.000 0.229 100 R C 2.267 178.576 176.300 0.015 0.000 1.120 100 R CA 1.140 57.247 56.100 0.013 0.000 0.967 100 R CB -0.190 30.117 30.300 0.011 0.000 0.862 100 R HN 0.208 nan 8.270 nan 0.000 0.436 101 A N 1.223 124.047 122.820 0.005 0.000 1.933 101 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 101 A C 2.320 179.903 177.584 -0.002 0.000 1.175 101 A CA 1.689 53.725 52.037 -0.003 0.000 0.628 101 A CB -0.590 18.403 19.000 -0.012 0.000 0.814 101 A HN 0.396 nan 8.150 nan 0.000 0.444 102 A N -0.916 121.910 122.820 0.011 0.000 2.019 102 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 102 A C 2.186 179.835 177.584 0.109 0.000 1.164 102 A CA 1.828 53.886 52.037 0.035 0.000 0.644 102 A CB -0.436 18.586 19.000 0.036 0.000 0.805 102 A HN 0.564 nan 8.150 nan 0.000 0.449 103 M N -2.172 117.487 119.600 0.098 0.000 2.429 103 M HA 0.079 4.558 4.480 -0.000 0.000 0.265 103 M C 2.265 178.650 176.300 0.143 0.000 1.120 103 M CA 0.712 56.099 55.300 0.146 0.000 1.173 103 M CB -0.022 32.629 32.600 0.086 0.000 1.343 103 M HN 0.243 nan 8.290 nan 0.000 0.464 104 R N 0.496 121.040 120.500 0.074 0.000 2.148 104 R HA -0.003 4.337 4.340 -0.000 0.000 0.227 104 R C 2.239 178.556 176.300 0.029 0.000 1.103 104 R CA 1.148 57.279 56.100 0.052 0.000 0.983 104 R CB -0.370 29.945 30.300 0.026 0.000 0.874 104 R HN 0.345 nan 8.270 nan 0.000 0.451 105 A N 0.155 122.960 122.820 -0.026 0.000 1.978 105 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 105 A C 1.316 178.803 177.584 -0.162 0.000 1.170 105 A CA 1.210 53.160 52.037 -0.144 0.000 0.636 105 A CB -0.514 18.317 19.000 -0.282 0.000 0.810 105 A HN 0.395 nan 8.150 nan 0.000 0.448 106 Y N -0.956 119.352 120.300 0.013 0.000 2.471 106 Y HA 0.337 4.887 4.550 -0.000 0.000 0.286 106 Y C 1.782 177.693 175.900 0.019 0.000 1.188 106 Y CA 0.413 58.523 58.100 0.017 0.000 1.286 106 Y CB 0.066 38.537 38.460 0.020 0.000 1.072 106 Y HN 0.456 nan 8.280 nan 0.000 0.517 107 G N 0.058 108.937 108.800 0.132 0.000 2.141 107 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.242 107 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.242 107 G C 0.311 175.263 174.900 0.087 0.000 0.982 107 G CA -0.106 45.048 45.100 0.090 0.000 0.662 107 G HN 0.592 nan 8.290 nan 0.000 0.527 108 A N -0.159 122.722 122.820 0.103 0.000 2.407 108 A HA 0.608 4.927 4.320 -0.000 0.000 0.248 108 A C 0.509 178.127 177.584 0.058 0.000 1.082 108 A CA 0.512 52.596 52.037 0.079 0.000 0.785 108 A CB 0.478 19.527 19.000 0.082 0.000 1.020 108 A HN 0.616 nan 8.150 nan 0.000 0.489 109 E N 1.830 122.058 120.200 0.048 0.000 2.227 109 E HA 0.463 4.813 4.350 -0.000 0.000 0.282 109 E C -1.232 175.390 176.600 0.035 0.000 1.015 109 E CA -0.359 56.064 56.400 0.038 0.000 0.823 109 E CB 0.536 30.256 29.700 0.034 0.000 1.081 109 E HN 0.598 nan 8.360 nan 0.000 0.396 110 L N 6.201 127.443 121.223 0.031 0.000 2.272 110 L HA 0.445 4.785 4.340 -0.000 0.000 0.289 110 L C -0.145 176.740 176.870 0.025 0.000 1.032 110 L CA -0.655 54.203 54.840 0.029 0.000 0.810 110 L CB 1.020 43.096 42.059 0.027 0.000 1.205 110 L HN 0.520 nan 8.230 nan 0.000 0.422 111 I N 4.765 125.351 120.570 0.025 0.000 2.328 111 I HA 0.317 4.487 4.170 -0.000 0.000 0.287 111 I C -0.077 176.054 176.117 0.022 0.000 1.012 111 I CA -0.368 60.946 61.300 0.023 0.000 1.195 111 I CB 1.371 39.385 38.000 0.024 0.000 1.350 111 I HN 0.416 nan 8.210 nan 0.000 0.464 112 L N 7.005 128.240 121.223 0.019 0.000 2.399 112 L HA 0.596 4.935 4.340 -0.000 0.000 0.266 112 L C 0.092 176.972 176.870 0.017 0.000 1.114 112 L CA -0.809 54.042 54.840 0.018 0.000 0.804 112 L CB 1.314 43.382 42.059 0.015 0.000 1.146 112 L HN 0.383 nan 8.230 nan 0.000 0.451 113 V N -2.022 117.902 119.914 0.017 0.000 3.113 113 V HA 0.672 4.792 4.120 -0.000 0.000 0.316 113 V C 0.196 176.298 176.094 0.013 0.000 1.125 113 V CA -0.775 61.534 62.300 0.016 0.000 1.026 113 V CB 1.555 33.389 31.823 0.018 0.000 1.080 113 V HN 0.851 nan 8.190 nan 0.000 0.444 114 T N -0.932 113.629 114.554 0.011 0.000 2.828 114 T HA 0.325 4.675 4.350 -0.000 0.000 0.290 114 T C 0.833 175.537 174.700 0.007 0.000 1.019 114 T CA -0.019 62.086 62.100 0.008 0.000 1.031 114 T CB 0.713 69.585 68.868 0.007 0.000 1.001 114 T HN 0.790 nan 8.240 nan 0.000 0.531 115 K N 0.506 120.908 120.400 0.005 0.000 2.103 115 K HA -0.147 4.172 4.320 -0.000 0.000 0.207 115 K C 2.232 178.833 176.600 0.001 0.000 1.048 115 K CA 1.684 57.972 56.287 0.002 0.000 0.930 115 K CB -0.162 32.338 32.500 0.001 0.000 0.716 115 K HN 0.630 nan 8.250 nan 0.000 0.444 116 E N 0.998 121.199 120.200 0.001 0.000 2.118 116 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 116 E C 1.937 178.538 176.600 0.002 0.000 0.992 116 E CA 1.291 57.692 56.400 0.000 0.000 0.804 116 E CB -0.037 29.663 29.700 0.001 0.000 0.741 116 E HN 0.304 nan 8.360 nan 0.000 0.458 117 Q N -0.374 119.429 119.800 0.005 0.000 2.172 117 Q HA 0.079 4.419 4.340 -0.000 0.000 0.200 117 Q C 1.008 177.012 176.000 0.008 0.000 0.964 117 Q CA 0.559 56.366 55.803 0.008 0.000 0.855 117 Q CB -0.047 28.698 28.738 0.011 0.000 0.918 117 Q HN 0.301 nan 8.270 nan 0.000 0.444 118 G N 0.443 109.247 108.800 0.007 0.000 2.801 118 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.244 118 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.244 118 G C 0.412 175.320 174.900 0.014 0.000 1.385 118 G CA 0.160 45.264 45.100 0.006 0.000 0.894 118 G HN 0.254 nan 8.290 nan 0.000 0.562 119 M N -0.905 118.704 119.600 0.014 0.000 2.195 119 M HA -0.109 4.371 4.480 -0.000 0.000 0.260 119 M C 2.266 178.587 176.300 0.035 0.000 1.066 119 M CA 2.252 57.570 55.300 0.029 0.000 1.089 119 M CB -0.237 32.380 32.600 0.029 0.000 1.377 119 M HN 0.632 nan 8.290 nan 0.000 0.411 120 E N 0.120 120.333 120.200 0.021 0.000 2.152 120 E HA -0.045 4.305 4.350 -0.000 0.000 0.192 120 E C 1.908 178.525 176.600 0.029 0.000 0.983 120 E CA 1.343 57.758 56.400 0.025 0.000 0.818 120 E CB -0.437 29.271 29.700 0.013 0.000 0.758 120 E HN 0.439 nan 8.360 nan 0.000 0.467 121 G N 0.372 109.186 108.800 0.023 0.000 2.404 121 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.215 121 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.215 121 G C 1.707 176.625 174.900 0.030 0.000 1.174 121 G CA 1.007 46.121 45.100 0.023 0.000 0.780 121 G HN 0.410 nan 8.290 nan 0.000 0.537 122 A N 0.897 123.737 122.820 0.034 0.000 1.883 122 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 122 A C 2.490 180.104 177.584 0.050 0.000 1.186 122 A CA 1.694 53.756 52.037 0.041 0.000 0.624 122 A CB -0.380 18.647 19.000 0.045 0.000 0.822 122 A HN 0.236 nan 8.150 nan 0.000 0.444 123 R N 0.041 120.577 120.500 0.061 0.000 2.091 123 R HA -0.134 4.206 4.340 -0.000 0.000 0.238 123 R C 1.579 177.913 176.300 0.057 0.000 1.136 123 R CA 1.641 57.785 56.100 0.074 0.000 0.959 123 R CB -0.868 29.483 30.300 0.084 0.000 0.856 123 R HN 0.567 nan 8.270 nan 0.000 0.437 124 D N 0.831 121.258 120.400 0.044 0.000 2.097 124 D HA -0.142 4.498 4.640 -0.000 0.000 0.195 124 D C 1.971 178.290 176.300 0.032 0.000 0.989 124 D CA 0.683 54.704 54.000 0.036 0.000 0.827 124 D CB -0.308 40.510 40.800 0.029 0.000 0.966 124 D HN 0.043 nan 8.370 nan 0.000 0.456 125 L N 1.241 122.483 121.223 0.031 0.000 2.017 125 L HA -0.103 4.236 4.340 -0.000 0.000 0.208 125 L C 2.171 179.059 176.870 0.030 0.000 1.073 125 L CA 1.955 56.811 54.840 0.028 0.000 0.745 125 L CB -0.988 41.087 42.059 0.026 0.000 0.894 125 L HN -0.016 nan 8.230 nan 0.000 0.432 126 A N -0.540 122.301 122.820 0.035 0.000 1.892 126 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 126 A C 2.276 179.880 177.584 0.033 0.000 1.188 126 A CA 2.213 54.271 52.037 0.036 0.000 0.631 126 A CB -1.166 17.861 19.000 0.046 0.000 0.822 126 A HN 0.514 nan 8.150 nan 0.000 0.447 127 L N -0.389 120.856 121.223 0.036 0.000 2.046 127 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 127 L C 2.694 179.578 176.870 0.024 0.000 1.077 127 L CA 2.178 57.037 54.840 0.031 0.000 0.747 127 L CB -1.010 41.069 42.059 0.034 0.000 0.896 127 L HN 0.369 nan 8.230 nan 0.000 0.432 128 A N -0.597 122.237 122.820 0.024 0.000 1.865 128 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 128 A C 2.306 179.901 177.584 0.019 0.000 1.191 128 A CA 2.297 54.346 52.037 0.020 0.000 0.623 128 A CB -0.618 18.394 19.000 0.019 0.000 0.826 128 A HN 0.517 nan 8.150 nan 0.000 0.444 129 M N 0.546 120.158 119.600 0.020 0.000 2.106 129 M HA -0.194 4.285 4.480 -0.000 0.000 0.259 129 M C 2.455 178.766 176.300 0.019 0.000 1.068 129 M CA 2.065 57.376 55.300 0.020 0.000 1.100 129 M CB -0.478 32.135 32.600 0.022 0.000 1.351 129 M HN 0.671 nan 8.290 nan 0.000 0.404 130 S N -0.403 115.309 115.700 0.019 0.000 2.428 130 S HA -0.080 4.390 4.470 -0.000 0.000 0.230 130 S C 1.624 176.233 174.600 0.015 0.000 1.014 130 S CA 0.705 58.915 58.200 0.017 0.000 0.957 130 S CB -0.337 62.873 63.200 0.016 0.000 0.784 130 S HN 0.379 nan 8.310 nan 0.000 0.499 131 E N 2.488 122.697 120.200 0.015 0.000 2.017 131 E HA -0.092 4.258 4.350 -0.000 0.000 0.193 131 E C 2.111 178.718 176.600 0.012 0.000 0.997 131 E CA 1.161 57.568 56.400 0.013 0.000 0.804 131 E CB -0.458 29.250 29.700 0.013 0.000 0.757 131 E HN 0.660 nan 8.360 nan 0.000 0.448 132 R N 0.045 120.553 120.500 0.013 0.000 2.377 132 R HA 0.018 4.357 4.340 -0.000 0.000 0.207 132 R C 1.147 177.455 176.300 0.013 0.000 1.075 132 R CA 0.606 56.714 56.100 0.012 0.000 1.035 132 R CB -0.347 29.961 30.300 0.013 0.000 0.857 132 R HN 0.269 nan 8.270 nan 0.000 0.475 133 G N 1.523 110.331 108.800 0.014 0.000 2.198 133 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.257 133 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.257 133 G C 0.284 175.195 174.900 0.017 0.000 1.042 133 G CA 0.274 45.383 45.100 0.015 0.000 0.791 133 G HN 0.520 nan 8.290 nan 0.000 0.502 134 E N -0.449 119.762 120.200 0.018 0.000 2.489 134 E HA 0.410 4.759 4.350 -0.000 0.000 0.193 134 E C 1.307 177.922 176.600 0.025 0.000 1.057 134 E CA 0.451 56.864 56.400 0.021 0.000 0.866 134 E CB 0.489 30.201 29.700 0.020 0.000 0.916 134 E HN 1.117 nan 8.360 nan 0.000 0.500 135 G N 1.283 110.097 108.800 0.024 0.000 2.328 135 G HA2 0.140 4.100 3.960 -0.000 0.000 0.299 135 G HA3 0.140 4.100 3.960 -0.000 0.000 0.299 135 G C -1.811 173.100 174.900 0.020 0.000 1.435 135 G CA -1.147 43.970 45.100 0.028 0.000 0.865 135 G HN -0.051 nan 8.290 nan 0.000 0.601 136 K N 0.278 120.687 120.400 0.015 0.000 2.258 136 K HA 0.630 4.950 4.320 -0.000 0.000 0.284 136 K C -0.273 176.323 176.600 -0.007 0.000 1.051 136 K CA -0.610 55.678 56.287 0.001 0.000 0.923 136 K CB 1.122 33.616 32.500 -0.011 0.000 1.046 136 K HN 0.582 nan 8.250 nan 0.000 0.474 137 L N 5.971 127.193 121.223 -0.002 0.000 2.305 137 L HA 0.257 4.597 4.340 -0.000 0.000 0.281 137 L C 0.123 176.987 176.870 -0.010 0.000 1.085 137 L CA 0.273 55.114 54.840 0.002 0.000 0.813 137 L CB 0.681 42.749 42.059 0.015 0.000 1.157 137 L HN 0.924 nan 8.230 nan 0.000 0.436 138 L N 1.950 123.163 121.223 -0.017 0.000 2.168 138 L HA 0.126 4.466 4.340 -0.000 0.000 0.203 138 L C 0.255 177.115 176.870 -0.017 0.000 1.078 138 L CA 0.324 55.145 54.840 -0.031 0.000 0.780 138 L CB -0.157 41.871 42.059 -0.051 0.000 0.939 138 L HN 0.806 nan 8.230 nan 0.000 0.451 139 D N 0.848 121.250 120.400 0.003 0.000 3.133 139 D HA -0.212 4.427 4.640 -0.000 0.000 0.239 139 D C 1.291 177.585 176.300 -0.011 0.000 1.136 139 D CA 0.800 54.821 54.000 0.034 0.000 0.898 139 D CB -0.164 40.668 40.800 0.053 0.000 0.959 139 D HN 0.611 nan 8.370 nan 0.000 0.415 140 Q N -0.008 119.725 119.800 -0.113 0.000 2.248 140 Q HA -0.212 4.128 4.340 -0.000 0.000 0.208 140 Q C 1.617 177.451 176.000 -0.275 0.000 0.984 140 Q CA 1.534 57.192 55.803 -0.241 0.000 0.875 140 Q CB -0.389 28.107 28.738 -0.404 0.000 0.910 140 Q HN 0.539 nan 8.270 nan 0.000 0.433 141 F N 0.972 120.945 119.950 0.039 0.000 2.615 141 F HA 0.106 4.632 4.527 -0.000 0.000 0.297 141 F C 1.492 177.276 175.800 -0.026 0.000 1.124 141 F CA 0.522 58.524 58.000 0.004 0.000 1.451 141 F CB 0.175 39.170 39.000 -0.008 0.000 1.103 141 F HN 0.166 nan 8.300 nan 0.000 0.569 142 N N -1.189 117.587 118.700 0.126 0.000 2.166 142 N HA -0.010 4.730 4.740 -0.000 0.000 0.213 142 N C -0.119 175.407 175.510 0.026 0.000 1.222 142 N CA 0.078 53.166 53.050 0.063 0.000 0.900 142 N CB 0.056 38.575 38.487 0.053 0.000 1.055 142 N HN 0.032 nan 8.380 nan 0.000 0.515 143 N N 3.046 121.756 118.700 0.017 0.000 2.405 143 N HA 0.124 4.864 4.740 -0.000 0.000 0.260 143 N C -1.788 173.725 175.510 0.005 0.000 1.152 143 N CA -1.444 51.606 53.050 -0.000 0.000 0.948 143 N CB 1.558 40.038 38.487 -0.011 0.000 1.111 143 N HN -0.066 nan 8.380 nan 0.000 0.485 144 P HA -0.088 nan 4.420 nan 0.000 0.220 144 P C 0.285 177.599 177.300 0.024 0.000 1.144 144 P CA 0.995 64.087 63.100 -0.014 0.000 0.800 144 P CB 0.362 32.023 31.700 -0.065 0.000 0.772 145 D N -1.581 118.833 120.400 0.023 0.000 2.312 145 D HA -0.114 4.526 4.640 -0.000 0.000 0.211 145 D C 1.712 178.083 176.300 0.119 0.000 0.964 145 D CA 0.597 54.653 54.000 0.092 0.000 0.877 145 D CB -0.537 40.289 40.800 0.043 0.000 0.924 145 D HN 0.181 nan 8.370 nan 0.000 0.515 146 N N 1.402 120.151 118.700 0.081 0.000 2.051 146 N HA -0.076 4.663 4.740 -0.000 0.000 0.192 146 N C -1.082 174.531 175.510 0.172 0.000 1.049 146 N CA 1.123 54.226 53.050 0.089 0.000 0.845 146 N CB -0.937 37.589 38.487 0.066 0.000 1.031 146 N HN 0.046 nan 8.380 nan 0.000 0.425 147 P HA -0.135 nan 4.420 nan 0.000 0.220 147 P C 1.305 178.762 177.300 0.260 0.000 1.148 147 P CA 0.936 64.192 63.100 0.260 0.000 0.803 147 P CB -0.341 31.456 31.700 0.162 0.000 0.782 148 Y N 1.880 122.222 120.300 0.070 0.000 2.207 148 Y HA -0.159 4.391 4.550 -0.000 0.000 0.287 148 Y C 2.533 178.473 175.900 0.066 0.000 1.156 148 Y CA 1.262 59.413 58.100 0.084 0.000 1.182 148 Y CB -1.192 37.288 38.460 0.034 0.000 0.979 148 Y HN -0.048 nan 8.280 nan 0.000 0.521 149 A N -0.599 122.177 122.820 -0.072 0.000 1.902 149 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 149 A C 1.830 179.196 177.584 -0.362 0.000 1.181 149 A CA 2.109 53.965 52.037 -0.301 0.000 0.623 149 A CB -1.086 17.698 19.000 -0.360 0.000 0.818 149 A HN 0.709 nan 8.150 nan 0.000 0.443 150 H N -3.526 115.534 119.070 -0.017 0.000 2.470 150 H HA -0.008 4.548 4.556 -0.000 0.000 0.289 150 H C 1.791 177.100 175.328 -0.031 0.000 1.033 150 H CA 1.422 57.459 56.048 -0.020 0.000 1.331 150 H CB -0.167 29.620 29.762 0.042 0.000 1.414 150 H HN 0.657 nan 8.280 nan 0.000 0.545 151 Y N 1.592 121.870 120.300 -0.036 0.000 2.293 151 Y HA -0.191 4.359 4.550 -0.000 0.000 0.291 151 Y C 2.299 178.073 175.900 -0.210 0.000 1.137 151 Y CA 1.630 59.705 58.100 -0.042 0.000 1.202 151 Y CB -0.173 38.313 38.460 0.044 0.000 0.990 151 Y HN 0.243 nan 8.280 nan 0.000 0.537 152 T N -4.463 109.853 114.554 -0.396 0.000 3.037 152 T HA 0.077 4.427 4.350 -0.000 0.000 0.252 152 T C 1.442 175.876 174.700 -0.444 0.000 1.073 152 T CA 0.903 62.683 62.100 -0.533 0.000 1.091 152 T CB -0.432 68.096 68.868 -0.567 0.000 0.935 152 T HN 0.449 nan 8.240 nan 0.000 0.488 153 T N -0.783 113.559 114.554 -0.355 0.000 3.330 153 T HA 0.102 4.452 4.350 -0.000 0.000 0.240 153 T C 2.039 176.600 174.700 -0.231 0.000 0.988 153 T CA 0.849 62.783 62.100 -0.276 0.000 1.253 153 T CB -0.719 68.023 68.868 -0.210 0.000 1.163 153 T HN 0.143 nan 8.240 nan 0.000 0.382 154 T N 2.015 116.490 114.554 -0.133 0.000 2.597 154 T HA -0.036 4.314 4.350 -0.000 0.000 0.267 154 T C 2.177 176.806 174.700 -0.119 0.000 1.053 154 T CA 1.981 64.062 62.100 -0.032 0.000 1.165 154 T CB -1.342 67.638 68.868 0.186 0.000 0.863 154 T HN 0.618 nan 8.240 nan 0.000 0.427 155 G N 2.428 111.112 108.800 -0.194 0.000 2.459 155 G HA2 -0.155 3.804 3.960 -0.000 0.000 0.217 155 G HA3 -0.155 3.804 3.960 -0.000 0.000 0.217 155 G C -0.659 173.975 174.900 -0.443 0.000 1.183 155 G CA 0.774 45.729 45.100 -0.242 0.000 0.776 155 G HN 0.410 nan 8.290 nan 0.000 0.552 156 P HA -0.026 nan 4.420 nan 0.000 0.216 156 P C 1.629 178.779 177.300 -0.251 0.000 1.150 156 P CA 1.314 63.872 63.100 -0.903 0.000 0.837 156 P CB 0.021 31.164 31.700 -0.928 0.000 0.786 157 E N -0.715 119.365 120.200 -0.199 0.000 2.047 157 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 157 E C 2.007 178.591 176.600 -0.027 0.000 0.987 157 E CA 0.939 57.287 56.400 -0.087 0.000 0.799 157 E CB -0.574 29.085 29.700 -0.068 0.000 0.752 157 E HN 0.240 nan 8.360 nan 0.000 0.449 158 I N 0.626 121.194 120.570 -0.003 0.000 2.226 158 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 158 I C 2.352 178.521 176.117 0.087 0.000 1.100 158 I CA 0.963 62.286 61.300 0.039 0.000 1.374 158 I CB -0.295 37.738 38.000 0.055 0.000 1.057 158 I HN 0.382 nan 8.210 nan 0.000 0.413 159 W N 2.221 123.502 121.300 -0.033 0.000 2.358 159 W HA -0.209 4.451 4.660 -0.000 0.000 0.303 159 W C 2.613 179.117 176.519 -0.024 0.000 1.208 159 W CA 1.357 58.720 57.345 0.030 0.000 1.274 159 W CB -0.145 29.458 29.460 0.238 0.000 1.138 159 W HN 0.075 nan 8.180 nan 0.000 0.515 160 R N 0.025 120.539 120.500 0.023 0.000 2.066 160 R HA -0.176 4.164 4.340 -0.000 0.000 0.232 160 R C 2.400 178.597 176.300 -0.172 0.000 1.131 160 R CA 1.855 57.894 56.100 -0.101 0.000 0.955 160 R CB -0.759 29.520 30.300 -0.036 0.000 0.851 160 R HN 0.304 nan 8.270 nan 0.000 0.432 161 Q N -0.408 119.309 119.800 -0.138 0.000 2.181 161 Q HA -0.127 4.213 4.340 -0.000 0.000 0.205 161 Q C 1.591 177.397 176.000 -0.323 0.000 0.980 161 Q CA 1.902 57.598 55.803 -0.177 0.000 0.862 161 Q CB -0.010 28.659 28.738 -0.116 0.000 0.905 161 Q HN 0.426 nan 8.270 nan 0.000 0.429 162 T N -3.647 110.687 114.554 -0.366 0.000 3.122 162 T HA 0.183 4.532 4.350 -0.000 0.000 0.250 162 T C 0.564 174.995 174.700 -0.448 0.000 1.067 162 T CA 0.130 61.934 62.100 -0.492 0.000 0.966 162 T CB 0.310 68.918 68.868 -0.433 0.000 1.002 162 T HN 0.037 nan 8.240 nan 0.000 0.542 163 S N 0.710 116.157 115.700 -0.423 0.000 3.521 163 S HA -0.150 4.320 4.470 -0.000 0.000 0.362 163 S C 1.579 175.806 174.600 -0.622 0.000 1.044 163 S CA 1.020 58.963 58.200 -0.428 0.000 1.091 163 S CB -1.846 61.187 63.200 -0.278 0.000 0.908 163 S HN 1.805 nan 8.310 nan 0.000 0.473 164 G N 0.115 108.282 108.800 -1.054 0.000 2.184 164 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.264 164 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.264 164 G C 0.652 175.133 174.900 -0.700 0.000 0.975 164 G CA 0.767 44.934 45.100 -1.555 0.000 0.642 164 G HN 0.658 nan 8.290 nan 0.000 0.536 165 R N -0.362 119.882 120.500 -0.427 0.000 2.236 165 R HA 0.282 4.622 4.340 -0.000 0.000 0.208 165 R C 1.760 178.007 176.300 -0.087 0.000 1.036 165 R CA 0.385 56.364 56.100 -0.203 0.000 1.001 165 R CB 0.174 30.372 30.300 -0.170 0.000 0.896 165 R HN 0.624 nan 8.270 nan 0.000 0.464 166 I N 2.340 122.858 120.570 -0.086 0.000 2.906 166 I HA -0.196 3.974 4.170 -0.000 0.000 0.302 166 I C 1.074 177.279 176.117 0.148 0.000 1.220 166 I CA 1.066 62.406 61.300 0.068 0.000 1.441 166 I CB 0.877 38.961 38.000 0.139 0.000 1.336 166 I HN 0.233 nan 8.210 nan 0.000 0.565 167 T N 3.304 117.974 114.554 0.193 0.000 2.959 167 T HA 0.272 4.622 4.350 -0.000 0.000 0.254 167 T C 0.431 175.147 174.700 0.027 0.000 1.003 167 T CA -0.069 62.127 62.100 0.161 0.000 0.950 167 T CB -0.021 69.003 68.868 0.260 0.000 1.090 167 T HN 0.681 nan 8.240 nan 0.000 0.503 168 H N -0.358 118.808 119.070 0.160 0.000 2.865 168 H HA 0.511 5.066 4.556 -0.000 0.000 0.362 168 H C -2.127 173.349 175.328 0.247 0.000 1.114 168 H CA -0.842 55.308 56.048 0.170 0.000 1.208 168 H CB 2.229 32.062 29.762 0.119 0.000 1.727 168 H HN 0.190 nan 8.280 nan 0.000 0.534 169 F N 3.067 123.120 119.950 0.172 0.000 2.493 169 F HA 0.423 4.949 4.527 -0.000 0.000 0.329 169 F C -1.316 174.564 175.800 0.133 0.000 1.126 169 F CA -0.648 57.438 58.000 0.144 0.000 0.937 169 F CB 1.099 40.169 39.000 0.117 0.000 1.146 169 F HN 0.176 nan 8.300 nan 0.000 0.442 170 V N 4.929 124.478 119.914 -0.608 0.000 2.448 170 V HA 0.625 4.745 4.120 -0.000 0.000 0.295 170 V C -0.628 175.057 176.094 -0.682 0.000 1.025 170 V CA -0.573 61.454 62.300 -0.455 0.000 0.859 170 V CB 1.446 33.161 31.823 -0.179 0.000 0.988 170 V HN 0.801 nan 8.190 nan 0.000 0.431 171 S N 3.422 118.864 115.700 -0.430 0.000 2.619 171 S HA 0.514 4.984 4.470 -0.000 0.000 0.280 171 S C -0.406 174.150 174.600 -0.073 0.000 1.150 171 S CA -0.470 57.571 58.200 -0.265 0.000 0.978 171 S CB 1.761 64.852 63.200 -0.183 0.000 1.041 171 S HN 0.665 nan 8.310 nan 0.000 0.485 172 S N 5.087 120.763 115.700 -0.039 0.000 2.510 172 S HA 0.334 4.804 4.470 -0.000 0.000 0.279 172 S C 0.012 174.643 174.600 0.052 0.000 1.284 172 S CA -0.201 58.002 58.200 0.005 0.000 1.059 172 S CB 0.139 63.339 63.200 0.000 0.000 0.901 172 S HN 0.735 nan 8.310 nan 0.000 0.491 173 M N 3.420 123.072 119.600 0.086 0.000 2.108 173 M HA 0.349 4.829 4.480 -0.000 0.000 0.354 173 M C 1.153 177.583 176.300 0.217 0.000 1.229 173 M CA -0.392 55.002 55.300 0.156 0.000 1.081 173 M CB 1.156 33.862 32.600 0.176 0.000 1.606 173 M HN 0.838 nan 8.290 nan 0.000 0.467 174 G N 0.771 109.727 108.800 0.259 0.000 2.508 174 G HA2 0.008 3.968 3.960 -0.000 0.000 0.217 174 G HA3 0.008 3.968 3.960 -0.000 0.000 0.217 174 G C 1.165 176.415 174.900 0.582 0.000 2.004 174 G CA 0.499 45.808 45.100 0.348 0.000 0.750 174 G HN 0.628 nan 8.290 nan 0.000 0.730 175 T N -1.385 113.400 114.554 0.386 0.000 3.023 175 T HA 0.049 4.399 4.350 -0.000 0.000 0.266 175 T C 1.660 176.508 174.700 0.247 0.000 1.093 175 T CA 2.585 64.892 62.100 0.345 0.000 1.129 175 T CB -0.554 68.310 68.868 -0.007 0.000 0.899 175 T HN 1.689 nan 8.240 nan 0.000 0.491 176 T N -3.160 111.531 114.554 0.228 0.000 5.686 176 T HA -0.195 4.155 4.350 -0.000 0.000 0.270 176 T C 1.660 176.470 174.700 0.184 0.000 2.203 176 T CA 1.176 63.416 62.100 0.234 0.000 3.730 176 T CB -2.404 66.673 68.868 0.348 0.000 0.770 176 T HN 0.786 nan 8.240 nan 0.000 1.144 177 G N 1.159 110.040 108.800 0.135 0.000 2.446 177 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.217 177 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.217 177 G C 1.440 176.367 174.900 0.045 0.000 1.168 177 G CA 1.765 46.951 45.100 0.144 0.000 0.771 177 G HN 0.708 nan 8.290 nan 0.000 0.551 178 T N 0.904 115.301 114.554 -0.262 0.000 2.674 178 T HA -0.108 4.242 4.350 -0.000 0.000 0.265 178 T C 2.297 176.967 174.700 -0.049 0.000 1.039 178 T CA 1.126 62.852 62.100 -0.622 0.000 1.150 178 T CB -0.195 68.409 68.868 -0.440 0.000 0.864 178 T HN 0.228 nan 8.240 nan 0.000 0.427 179 I N 0.696 121.347 120.570 0.135 0.000 2.226 179 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 179 I C 2.385 178.613 176.117 0.186 0.000 1.100 179 I CA 1.252 62.726 61.300 0.290 0.000 1.374 179 I CB -0.235 37.937 38.000 0.286 0.000 1.057 179 I HN 0.250 nan 8.210 nan 0.000 0.413 180 T N 0.247 114.884 114.554 0.138 0.000 2.708 180 T HA -0.131 4.219 4.350 -0.000 0.000 0.266 180 T C 1.680 176.432 174.700 0.086 0.000 1.037 180 T CA 1.486 63.629 62.100 0.072 0.000 1.146 180 T CB -0.856 68.052 68.868 0.067 0.000 0.865 180 T HN 0.608 nan 8.240 nan 0.000 0.435 181 G N 0.778 109.665 108.800 0.146 0.000 2.402 181 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.216 181 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.216 181 G C 1.722 176.750 174.900 0.212 0.000 1.162 181 G CA 0.727 45.961 45.100 0.223 0.000 0.777 181 G HN 0.424 nan 8.290 nan 0.000 0.539 182 V N 0.866 120.839 119.914 0.098 0.000 2.343 182 V HA -0.176 3.944 4.120 -0.000 0.000 0.247 182 V C 3.044 179.113 176.094 -0.042 0.000 1.051 182 V CA 2.220 64.482 62.300 -0.063 0.000 1.036 182 V CB -0.366 31.185 31.823 -0.455 0.000 0.654 182 V HN 0.491 nan 8.190 nan 0.000 0.451 183 S N -0.309 115.388 115.700 -0.005 0.000 2.356 183 S HA -0.279 4.191 4.470 -0.000 0.000 0.223 183 S C 2.223 176.829 174.600 0.011 0.000 1.032 183 S CA 1.998 60.202 58.200 0.008 0.000 1.005 183 S CB -0.362 62.866 63.200 0.045 0.000 0.867 183 S HN 0.524 nan 8.310 nan 0.000 0.449 184 R N -0.851 119.686 120.500 0.061 0.000 2.103 184 R HA -0.135 4.205 4.340 -0.000 0.000 0.242 184 R C 2.158 178.563 176.300 0.176 0.000 1.142 184 R CA 2.036 58.179 56.100 0.072 0.000 0.960 184 R CB -0.541 29.783 30.300 0.041 0.000 0.858 184 R HN 0.596 nan 8.270 nan 0.000 0.439 185 F N 0.609 120.646 119.950 0.146 0.000 2.163 185 F HA -0.068 4.459 4.527 -0.000 0.000 0.297 185 F C 1.719 177.400 175.800 -0.198 0.000 1.094 185 F CA 1.183 59.179 58.000 -0.007 0.000 1.290 185 F CB -0.041 38.858 39.000 -0.167 0.000 1.017 185 F HN -0.038 nan 8.300 nan 0.000 0.483 186 L N 0.060 121.122 121.223 -0.267 0.000 2.131 186 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 186 L C 2.505 179.115 176.870 -0.433 0.000 1.092 186 L CA 0.733 55.316 54.840 -0.429 0.000 0.759 186 L CB -0.693 41.265 42.059 -0.168 0.000 0.903 186 L HN 0.043 nan 8.230 nan 0.000 0.435 187 R N 0.693 121.030 120.500 -0.272 0.000 2.152 187 R HA -0.142 4.198 4.340 -0.000 0.000 0.232 187 R C 1.766 177.900 176.300 -0.276 0.000 1.117 187 R CA 0.969 56.938 56.100 -0.217 0.000 0.981 187 R CB -0.513 29.706 30.300 -0.135 0.000 0.870 187 R HN 0.547 nan 8.270 nan 0.000 0.451 188 E N 0.645 120.613 120.200 -0.387 0.000 2.478 188 E HA -0.068 4.282 4.350 -0.000 0.000 0.198 188 E C 0.110 176.438 176.600 -0.452 0.000 1.046 188 E CA 0.253 56.425 56.400 -0.379 0.000 0.870 188 E CB 0.196 29.651 29.700 -0.409 0.000 0.818 188 E HN 0.236 nan 8.360 nan 0.000 0.527 189 Q N 0.465 119.916 119.800 -0.581 0.000 2.260 189 Q HA 0.100 4.440 4.340 -0.000 0.000 0.238 189 Q C 0.803 176.642 176.000 -0.267 0.000 0.948 189 Q CA 0.099 55.569 55.803 -0.555 0.000 0.895 189 Q CB 1.055 29.195 28.738 -0.996 0.000 1.218 189 Q HN 0.107 nan 8.270 nan 0.000 0.470 190 E N 1.104 121.220 120.200 -0.139 0.000 2.047 190 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 190 E C 0.166 176.752 176.600 -0.023 0.000 0.987 190 E CA 0.692 57.058 56.400 -0.057 0.000 0.799 190 E CB 0.263 29.959 29.700 -0.006 0.000 0.752 190 E HN 0.349 nan 8.360 nan 0.000 0.449 191 K N 1.929 122.354 120.400 0.042 0.000 2.401 191 K HA 0.069 4.389 4.320 -0.000 0.000 0.278 191 K C -2.502 174.116 176.600 0.030 0.000 1.018 191 K CA -1.404 54.932 56.287 0.082 0.000 0.981 191 K CB 0.651 33.280 32.500 0.214 0.000 0.933 191 K HN -0.190 nan 8.250 nan 0.000 0.477 192 P HA 0.113 nan 4.420 nan 0.000 0.274 192 P C -1.374 175.926 177.300 -0.002 0.000 1.231 192 P CA -0.549 62.543 63.100 -0.014 0.000 0.790 192 P CB 1.049 32.740 31.700 -0.016 0.000 0.951 193 V N 1.629 121.527 119.914 -0.026 0.000 2.686 193 V HA 0.299 4.418 4.120 -0.000 0.000 0.306 193 V C -0.137 175.924 176.094 -0.056 0.000 1.065 193 V CA -0.536 61.752 62.300 -0.019 0.000 0.894 193 V CB 2.157 34.008 31.823 0.047 0.000 1.004 193 V HN 0.438 nan 8.190 nan 0.000 0.424 194 T N 6.159 120.618 114.554 -0.160 0.000 2.749 194 T HA 0.481 4.831 4.350 -0.000 0.000 0.295 194 T C -0.099 174.618 174.700 0.029 0.000 0.936 194 T CA -0.119 61.907 62.100 -0.124 0.000 1.060 194 T CB 0.260 68.948 68.868 -0.301 0.000 0.904 194 T HN 0.314 nan 8.240 nan 0.000 0.500 195 I N 4.546 125.169 120.570 0.087 0.000 2.304 195 I HA 0.305 4.475 4.170 -0.000 0.000 0.291 195 I C -0.063 176.141 176.117 0.146 0.000 1.018 195 I CA -0.726 60.679 61.300 0.176 0.000 1.260 195 I CB 0.956 39.059 38.000 0.172 0.000 1.390 195 I HN 0.300 nan 8.210 nan 0.000 0.475 196 V N 5.969 125.964 119.914 0.135 0.000 2.378 196 V HA 0.622 4.741 4.120 -0.000 0.000 0.288 196 V C 0.660 176.788 176.094 0.057 0.000 1.016 196 V CA -0.578 61.778 62.300 0.092 0.000 0.840 196 V CB 1.478 33.352 31.823 0.084 0.000 0.994 196 V HN 0.899 nan 8.190 nan 0.000 0.431 197 G N 4.648 113.504 108.800 0.093 0.000 2.412 197 G HA2 0.748 4.708 3.960 -0.000 0.000 0.318 197 G HA3 0.748 4.708 3.960 -0.000 0.000 0.318 197 G C -0.978 173.956 174.900 0.058 0.000 1.146 197 G CA -0.603 44.551 45.100 0.091 0.000 0.882 197 G HN 0.581 nan 8.290 nan 0.000 0.501 198 L N 0.743 121.989 121.223 0.037 0.000 2.362 198 L HA 0.595 4.935 4.340 -0.000 0.000 0.271 198 L C -0.080 176.804 176.870 0.024 0.000 1.002 198 L CA -0.870 53.983 54.840 0.021 0.000 0.818 198 L CB 2.201 44.258 42.059 -0.003 0.000 1.298 198 L HN 0.744 nan 8.230 nan 0.000 0.420 199 Q N 2.390 122.197 119.800 0.011 0.000 2.451 199 Q HA 0.641 4.981 4.340 -0.000 0.000 0.281 199 Q C -2.932 173.048 176.000 -0.034 0.000 1.099 199 Q CA -2.168 53.631 55.803 -0.007 0.000 0.806 199 Q CB 2.865 31.604 28.738 0.002 0.000 1.419 199 Q HN 0.229 nan 8.270 nan 0.000 0.427 200 P HA 0.044 nan 4.420 nan 0.000 0.275 200 P C -0.680 176.570 177.300 -0.084 0.000 1.228 200 P CA 0.017 63.065 63.100 -0.087 0.000 0.786 200 P CB 0.945 32.576 31.700 -0.115 0.000 0.927 201 E N 1.342 121.489 120.200 -0.088 0.000 2.418 201 E HA -0.008 4.342 4.350 -0.000 0.000 0.261 201 E C 0.152 176.698 176.600 -0.090 0.000 1.070 201 E CA -0.096 56.264 56.400 -0.066 0.000 0.931 201 E CB 0.386 30.057 29.700 -0.049 0.000 0.954 201 E HN 0.393 nan 8.360 nan 0.000 0.439 202 E N 0.565 120.729 120.200 -0.060 0.000 2.465 202 E HA -0.007 4.343 4.350 -0.000 0.000 0.260 202 E C 0.739 177.292 176.600 -0.077 0.000 0.980 202 E CA 0.781 57.141 56.400 -0.066 0.000 0.927 202 E CB 0.528 30.202 29.700 -0.042 0.000 0.934 202 E HN 0.864 nan 8.360 nan 0.000 0.459 203 G N 2.928 111.674 108.800 -0.089 0.000 2.268 203 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.240 203 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.240 203 G C 0.500 175.320 174.900 -0.134 0.000 1.010 203 G CA 0.221 45.267 45.100 -0.090 0.000 0.618 203 G HN 0.494 nan 8.290 nan 0.000 0.516 204 S N 0.117 115.703 115.700 -0.190 0.000 2.565 204 S HA 0.592 5.062 4.470 -0.000 0.000 0.276 204 S C 0.278 174.775 174.600 -0.171 0.000 1.326 204 S CA 0.648 58.692 58.200 -0.259 0.000 1.045 204 S CB 1.564 64.549 63.200 -0.360 0.000 0.918 204 S HN 0.974 nan 8.310 nan 0.000 0.505 205 S N 3.325 118.937 115.700 -0.145 0.000 2.530 205 S HA 0.599 5.069 4.470 -0.000 0.000 0.322 205 S C -0.837 173.715 174.600 -0.080 0.000 1.085 205 S CA -0.724 57.416 58.200 -0.100 0.000 1.096 205 S CB -0.133 63.023 63.200 -0.073 0.000 0.988 205 S HN 0.596 nan 8.310 nan 0.000 0.466 206 I N 6.181 126.709 120.570 -0.070 0.000 2.448 206 I HA 0.336 4.506 4.170 -0.000 0.000 0.281 206 I C -2.401 173.713 176.117 -0.005 0.000 1.027 206 I CA -2.425 58.850 61.300 -0.042 0.000 1.111 206 I CB 2.074 40.039 38.000 -0.058 0.000 1.236 206 I HN 0.424 nan 8.210 nan 0.000 0.452 207 P HA 0.028 nan 4.420 nan 0.000 0.261 207 P C 0.942 178.300 177.300 0.098 0.000 1.173 207 P CA 0.965 64.120 63.100 0.092 0.000 0.760 207 P CB 0.566 32.393 31.700 0.211 0.000 0.783 208 G N 2.311 111.153 108.800 0.070 0.000 2.279 208 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.223 208 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.223 208 G C 0.160 175.101 174.900 0.068 0.000 1.015 208 G CA 0.225 45.373 45.100 0.080 0.000 0.621 208 G HN 0.669 nan 8.290 nan 0.000 0.506 209 I N -1.749 118.836 120.570 0.024 0.000 3.294 209 I HA 0.997 5.167 4.170 -0.000 0.000 0.311 209 I C -0.373 175.671 176.117 -0.122 0.000 1.111 209 I CA -1.504 59.793 61.300 -0.004 0.000 0.976 209 I CB 2.200 40.201 38.000 0.002 0.000 1.260 209 I HN 0.491 nan 8.210 nan 0.000 0.474 210 R N 1.267 121.609 120.500 -0.263 0.000 2.692 210 R HA 0.489 4.829 4.340 -0.000 0.000 0.269 210 R C -1.533 174.445 176.300 -0.536 0.000 1.030 210 R CA -1.009 54.827 56.100 -0.440 0.000 0.882 210 R CB 1.610 31.514 30.300 -0.660 0.000 1.250 210 R HN 0.783 nan 8.270 nan 0.000 0.465 211 R N 2.030 122.288 120.500 -0.405 0.000 2.242 211 R HA 0.164 4.504 4.340 -0.000 0.000 0.334 211 R C -1.057 175.041 176.300 -0.337 0.000 1.071 211 R CA -0.315 55.620 56.100 -0.276 0.000 0.922 211 R CB 0.473 30.675 30.300 -0.164 0.000 1.023 211 R HN 0.558 nan 8.270 nan 0.000 0.458 212 W N 5.945 127.197 121.300 -0.079 0.000 2.261 212 W HA 0.262 4.922 4.660 -0.000 0.000 0.323 212 W C -1.636 174.845 176.519 -0.064 0.000 1.243 212 W CA -1.981 55.314 57.345 -0.083 0.000 1.210 212 W CB 0.570 29.961 29.460 -0.115 0.000 1.149 212 W HN 0.469 nan 8.180 nan 0.000 0.562 213 P HA -0.002 nan 4.420 nan 0.000 0.267 213 P C 0.649 178.045 177.300 0.160 0.000 1.209 213 P CA 0.470 63.629 63.100 0.097 0.000 0.763 213 P CB 0.850 32.542 31.700 -0.013 0.000 0.816 214 A N 4.631 127.511 122.820 0.101 0.000 1.968 214 A HA -0.328 3.992 4.320 -0.000 0.000 0.227 214 A C 1.475 179.139 177.584 0.135 0.000 1.381 214 A CA 2.265 54.362 52.037 0.100 0.000 0.697 214 A CB -1.025 18.018 19.000 0.072 0.000 0.836 214 A HN 0.721 nan 8.150 nan 0.000 0.497 215 E N -3.092 117.244 120.200 0.226 0.000 2.498 215 E HA 0.136 4.486 4.350 -0.000 0.000 0.203 215 E C -0.556 176.176 176.600 0.221 0.000 1.013 215 E CA -0.140 56.395 56.400 0.225 0.000 0.927 215 E CB 0.322 30.162 29.700 0.234 0.000 1.012 215 E HN 0.721 nan 8.360 nan 0.000 0.482 216 Y N 0.860 121.162 120.300 0.004 0.000 2.724 216 Y HA 0.261 4.811 4.550 -0.000 0.000 0.370 216 Y C 0.237 176.060 175.900 -0.128 0.000 0.978 216 Y CA -0.735 57.351 58.100 -0.024 0.000 1.443 216 Y CB -0.037 38.441 38.460 0.031 0.000 1.386 216 Y HN -0.019 nan 8.280 nan 0.000 0.557 217 M N 2.410 121.927 119.600 -0.139 0.000 2.240 217 M HA 0.195 4.675 4.480 -0.000 0.000 0.333 217 M C -1.993 173.964 176.300 -0.572 0.000 1.110 217 M CA -2.119 52.893 55.300 -0.480 0.000 1.173 217 M CB -0.039 32.315 32.600 -0.411 0.000 1.458 217 M HN 0.145 nan 8.290 nan 0.000 0.458 218 P HA 0.018 nan 4.420 nan 0.000 0.267 218 P C 0.785 177.984 177.300 -0.168 0.000 1.201 218 P CA 0.128 62.915 63.100 -0.523 0.000 0.775 218 P CB 0.076 31.548 31.700 -0.381 0.000 0.854 219 G N 2.386 111.135 108.800 -0.084 0.000 2.469 219 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.220 219 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.220 219 G C 1.340 176.244 174.900 0.007 0.000 1.136 219 G CA 0.956 46.036 45.100 -0.033 0.000 0.759 219 G HN 0.702 nan 8.290 nan 0.000 0.562 220 I N -2.593 118.000 120.570 0.037 0.000 2.614 220 I HA 0.234 4.404 4.170 -0.000 0.000 0.258 220 I C 1.324 177.479 176.117 0.063 0.000 1.189 220 I CA -0.312 61.015 61.300 0.044 0.000 1.462 220 I CB -0.375 37.662 38.000 0.063 0.000 1.092 220 I HN 0.010 nan 8.210 nan 0.000 0.442 221 F N 4.030 123.940 119.950 -0.066 0.000 2.563 221 F HA 0.158 4.685 4.527 -0.000 0.000 0.363 221 F C 0.441 176.211 175.800 -0.050 0.000 1.123 221 F CA 0.163 58.128 58.000 -0.059 0.000 1.307 221 F CB 0.285 39.223 39.000 -0.103 0.000 1.115 221 F HN 0.096 nan 8.300 nan 0.000 0.592 222 N N 4.717 122.877 118.700 -0.900 0.000 2.576 222 N HA 0.280 5.019 4.740 -0.000 0.000 0.269 222 N C 0.267 175.233 175.510 -0.907 0.000 1.058 222 N CA 0.170 52.847 53.050 -0.622 0.000 0.860 222 N CB 1.439 39.715 38.487 -0.350 0.000 1.249 222 N HN 0.765 nan 8.380 nan 0.000 0.525 223 A N 2.404 124.855 122.820 -0.616 0.000 1.958 223 A HA -0.224 4.096 4.320 -0.000 0.000 0.221 223 A C 1.951 179.431 177.584 -0.173 0.000 1.178 223 A CA 2.467 54.356 52.037 -0.247 0.000 0.642 223 A CB -0.722 18.337 19.000 0.099 0.000 0.816 223 A HN 0.785 nan 8.150 nan 0.000 0.453 224 S N -0.618 114.984 115.700 -0.165 0.000 2.507 224 S HA 0.061 4.531 4.470 -0.000 0.000 0.235 224 S C 1.476 176.011 174.600 -0.110 0.000 0.988 224 S CA 1.136 59.275 58.200 -0.103 0.000 0.944 224 S CB -0.490 62.658 63.200 -0.087 0.000 0.762 224 S HN 0.479 nan 8.310 nan 0.000 0.526 225 L N 1.016 122.134 121.223 -0.175 0.000 2.509 225 L HA 0.279 4.619 4.340 -0.000 0.000 0.222 225 L C -0.156 176.684 176.870 -0.049 0.000 1.123 225 L CA -0.004 54.763 54.840 -0.122 0.000 0.856 225 L CB 0.222 42.185 42.059 -0.160 0.000 0.985 225 L HN 0.201 nan 8.230 nan 0.000 0.456 226 V N -0.071 119.822 119.914 -0.034 0.000 2.384 226 V HA 0.142 4.262 4.120 -0.000 0.000 0.287 226 V C 0.332 176.471 176.094 0.075 0.000 1.020 226 V CA -0.546 61.800 62.300 0.076 0.000 0.850 226 V CB 1.693 33.632 31.823 0.193 0.000 0.987 226 V HN 0.094 nan 8.190 nan 0.000 0.436 227 D N 2.787 123.232 120.400 0.074 0.000 2.162 227 D HA 0.044 4.684 4.640 -0.000 0.000 0.203 227 D C 0.500 176.845 176.300 0.074 0.000 0.967 227 D CA 1.086 55.122 54.000 0.060 0.000 0.840 227 D CB 0.831 41.658 40.800 0.045 0.000 0.972 227 D HN 0.666 nan 8.370 nan 0.000 0.482 228 E N -0.246 120.009 120.200 0.091 0.000 2.356 228 E HA 0.486 4.835 4.350 -0.000 0.000 0.275 228 E C -1.304 175.355 176.600 0.099 0.000 0.904 228 E CA -0.612 55.841 56.400 0.089 0.000 0.757 228 E CB 3.509 33.259 29.700 0.084 0.000 1.232 228 E HN -0.272 nan 8.360 nan 0.000 0.442 229 V N 3.084 123.051 119.914 0.088 0.000 2.483 229 V HA 0.337 4.457 4.120 -0.000 0.000 0.297 229 V C -1.047 175.082 176.094 0.058 0.000 1.027 229 V CA -0.721 61.629 62.300 0.083 0.000 0.855 229 V CB 1.201 33.078 31.823 0.090 0.000 0.995 229 V HN 0.440 nan 8.190 nan 0.000 0.424 230 L N 3.837 125.088 121.223 0.047 0.000 2.331 230 L HA 0.645 4.985 4.340 -0.000 0.000 0.275 230 L C -0.174 176.711 176.870 0.024 0.000 1.022 230 L CA -0.328 54.533 54.840 0.034 0.000 0.812 230 L CB 1.558 43.634 42.059 0.029 0.000 1.257 230 L HN 0.516 nan 8.230 nan 0.000 0.435 231 D N 1.906 122.318 120.400 0.020 0.000 2.177 231 D HA 0.538 5.178 4.640 -0.000 0.000 0.247 231 D C -0.476 175.832 176.300 0.013 0.000 1.063 231 D CA 0.002 54.008 54.000 0.011 0.000 0.867 231 D CB 1.384 42.192 40.800 0.013 0.000 1.168 231 D HN 0.081 nan 8.370 nan 0.000 0.445 232 I N 1.934 122.504 120.570 0.000 0.000 2.465 232 I HA 0.119 4.289 4.170 -0.000 0.000 0.291 232 I C -0.002 176.117 176.117 0.004 0.000 1.014 232 I CA -0.587 60.718 61.300 0.009 0.000 1.093 232 I CB 1.607 39.601 38.000 -0.009 0.000 1.267 232 I HN 0.394 nan 8.210 nan 0.000 0.431 233 H N 5.740 124.792 119.070 -0.031 0.000 2.610 233 H HA 0.108 4.664 4.556 -0.000 0.000 0.336 233 H C 0.901 176.205 175.328 -0.041 0.000 1.087 233 H CA 0.395 56.423 56.048 -0.034 0.000 1.405 233 H CB 1.588 31.332 29.762 -0.030 0.000 1.460 233 H HN 0.711 nan 8.280 nan 0.000 0.538 234 Q N 4.243 123.842 119.800 -0.336 0.000 2.082 234 Q HA -0.278 4.062 4.340 -0.000 0.000 0.211 234 Q C 1.603 177.628 176.000 0.042 0.000 1.002 234 Q CA 2.048 57.763 55.803 -0.147 0.000 0.868 234 Q CB -0.031 28.575 28.738 -0.220 0.000 0.931 234 Q HN 0.719 nan 8.270 nan 0.000 0.414 235 N N 0.082 118.961 118.700 0.299 0.000 2.166 235 N HA -0.192 4.547 4.740 -0.000 0.000 0.186 235 N C 1.427 176.988 175.510 0.085 0.000 1.019 235 N CA 1.674 54.840 53.050 0.193 0.000 0.856 235 N CB -0.231 38.367 38.487 0.185 0.000 0.993 235 N HN 0.333 nan 8.380 nan 0.000 0.426 236 D N 0.135 120.607 120.400 0.121 0.000 2.183 236 D HA 0.017 4.657 4.640 -0.000 0.000 0.203 236 D C 1.736 178.034 176.300 -0.003 0.000 0.969 236 D CA 1.039 55.058 54.000 0.033 0.000 0.842 236 D CB -0.057 40.770 40.800 0.044 0.000 0.957 236 D HN 0.318 nan 8.370 nan 0.000 0.484 237 A N 0.420 123.236 122.820 -0.008 0.000 1.872 237 A HA -0.093 4.227 4.320 -0.000 0.000 0.214 237 A C 2.124 179.651 177.584 -0.095 0.000 1.187 237 A CA 1.338 53.343 52.037 -0.053 0.000 0.614 237 A CB -0.559 18.405 19.000 -0.061 0.000 0.826 237 A HN 0.266 nan 8.150 nan 0.000 0.442 238 E N 0.187 120.329 120.200 -0.097 0.000 2.077 238 E HA -0.185 4.164 4.350 -0.000 0.000 0.193 238 E C 1.792 178.298 176.600 -0.157 0.000 0.989 238 E CA 1.196 57.501 56.400 -0.158 0.000 0.800 238 E CB -0.199 29.426 29.700 -0.126 0.000 0.746 238 E HN 0.512 nan 8.360 nan 0.000 0.452 239 N N 0.209 118.854 118.700 -0.092 0.000 2.084 239 N HA -0.105 4.634 4.740 -0.000 0.000 0.190 239 N C 1.892 177.360 175.510 -0.070 0.000 1.030 239 N CA 1.584 54.589 53.050 -0.074 0.000 0.849 239 N CB -0.503 37.957 38.487 -0.046 0.000 1.012 239 N HN 0.129 nan 8.380 nan 0.000 0.423 240 T N 1.725 116.240 114.554 -0.064 0.000 2.867 240 T HA -0.076 4.273 4.350 -0.000 0.000 0.268 240 T C 1.894 176.559 174.700 -0.058 0.000 1.057 240 T CA 0.737 62.808 62.100 -0.049 0.000 1.136 240 T CB -0.059 68.784 68.868 -0.042 0.000 0.874 240 T HN 0.268 nan 8.240 nan 0.000 0.466 241 M N 0.966 120.501 119.600 -0.109 0.000 2.086 241 M HA -0.111 4.369 4.480 -0.000 0.000 0.261 241 M C 2.359 178.608 176.300 -0.085 0.000 1.067 241 M CA 1.645 56.862 55.300 -0.137 0.000 1.116 241 M CB -0.107 32.318 32.600 -0.292 0.000 1.348 241 M HN 0.060 nan 8.290 nan 0.000 0.407 242 R N -0.113 120.298 120.500 -0.149 0.000 2.092 242 R HA -0.162 4.178 4.340 -0.000 0.000 0.231 242 R C 2.174 178.511 176.300 0.063 0.000 1.119 242 R CA 1.797 57.875 56.100 -0.035 0.000 0.970 242 R CB -0.394 29.854 30.300 -0.087 0.000 0.864 242 R HN 0.587 nan 8.270 nan 0.000 0.440 243 E N 0.983 121.193 120.200 0.018 0.000 2.150 243 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 243 E C 1.887 178.513 176.600 0.044 0.000 0.985 243 E CA 0.589 57.005 56.400 0.026 0.000 0.814 243 E CB 0.058 29.759 29.700 0.002 0.000 0.752 243 E HN 0.257 nan 8.360 nan 0.000 0.466 244 L N 0.353 121.607 121.223 0.052 0.000 2.046 244 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 244 L C 2.596 179.530 176.870 0.106 0.000 1.077 244 L CA 1.246 56.124 54.840 0.064 0.000 0.747 244 L CB -0.380 41.715 42.059 0.060 0.000 0.896 244 L HN 0.238 nan 8.230 nan 0.000 0.432 245 A N -0.680 122.249 122.820 0.182 0.000 1.873 245 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 245 A C 2.283 179.935 177.584 0.113 0.000 1.186 245 A CA 1.728 53.891 52.037 0.210 0.000 0.616 245 A CB -0.802 18.428 19.000 0.384 0.000 0.823 245 A HN 0.182 nan 8.150 nan 0.000 0.442 246 V N -0.070 119.905 119.914 0.102 0.000 2.307 246 V HA -0.217 3.903 4.120 -0.000 0.000 0.245 246 V C 2.513 178.627 176.094 0.033 0.000 1.045 246 V CA 2.264 64.599 62.300 0.057 0.000 1.024 246 V CB -0.747 31.108 31.823 0.053 0.000 0.651 246 V HN 0.542 nan 8.190 nan 0.000 0.449 247 R N -0.733 119.785 120.500 0.030 0.000 2.265 247 R HA 0.122 4.461 4.340 -0.000 0.000 0.194 247 R C 1.603 177.907 176.300 0.007 0.000 0.931 247 R CA 0.322 56.430 56.100 0.012 0.000 1.032 247 R CB 0.241 30.544 30.300 0.004 0.000 0.980 247 R HN 0.449 nan 8.270 nan 0.000 0.497 248 E N -0.578 119.632 120.200 0.018 0.000 2.485 248 E HA 0.122 4.472 4.350 -0.000 0.000 0.213 248 E C 0.771 177.383 176.600 0.021 0.000 0.923 248 E CA 0.539 56.944 56.400 0.009 0.000 1.054 248 E CB 1.401 31.105 29.700 0.007 0.000 1.077 248 E HN 0.352 nan 8.360 nan 0.000 0.509 249 G N 2.355 111.178 108.800 0.038 0.000 2.160 249 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.244 249 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.244 249 G C 0.185 175.129 174.900 0.074 0.000 1.022 249 G CA 0.275 45.400 45.100 0.041 0.000 0.741 249 G HN 0.228 nan 8.290 nan 0.000 0.508 250 I N 0.429 121.060 120.570 0.103 0.000 2.359 250 I HA 0.401 4.571 4.170 -0.000 0.000 0.284 250 I C -0.074 176.173 176.117 0.216 0.000 1.018 250 I CA -0.898 60.478 61.300 0.127 0.000 1.173 250 I CB 1.091 39.140 38.000 0.081 0.000 1.326 250 I HN 0.162 nan 8.210 nan 0.000 0.462 251 F N 8.396 128.368 119.950 0.037 0.000 2.350 251 F HA 0.474 5.001 4.527 -0.000 0.000 0.365 251 F C 0.378 176.219 175.800 0.068 0.000 1.122 251 F CA -0.514 57.508 58.000 0.037 0.000 1.139 251 F CB 0.280 39.245 39.000 -0.057 0.000 1.220 251 F HN 0.606 nan 8.300 nan 0.000 0.499 252 C N 2.885 122.112 119.300 -0.121 0.000 3.307 252 C HA 0.972 5.432 4.460 -0.000 0.000 0.350 252 C C 0.612 175.430 174.990 -0.286 0.000 1.549 252 C CA -0.496 58.410 59.018 -0.186 0.000 1.396 252 C CB 0.904 28.604 27.740 -0.067 0.000 1.970 252 C HN 0.919 nan 8.230 nan 0.000 0.441 253 G N 0.029 108.581 108.800 -0.414 0.000 2.537 253 G HA2 0.476 4.436 3.960 -0.000 0.000 0.297 253 G HA3 0.476 4.436 3.960 -0.000 0.000 0.297 253 G C 0.701 175.217 174.900 -0.640 0.000 1.310 253 G CA 0.057 44.546 45.100 -1.018 0.000 1.027 253 G HN 1.030 nan 8.290 nan 0.000 0.505 254 V N 0.806 120.291 119.914 -0.715 0.000 2.255 254 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 254 V C 3.274 179.257 176.094 -0.184 0.000 1.051 254 V CA 2.749 64.849 62.300 -0.333 0.000 1.018 254 V CB -0.960 30.744 31.823 -0.198 0.000 0.641 254 V HN 0.858 nan 8.190 nan 0.000 0.445 255 S N -0.121 115.507 115.700 -0.121 0.000 2.419 255 S HA -0.198 4.272 4.470 -0.000 0.000 0.235 255 S C 1.960 176.521 174.600 -0.066 0.000 1.019 255 S CA 1.710 59.874 58.200 -0.059 0.000 0.982 255 S CB -0.537 62.660 63.200 -0.004 0.000 0.789 255 S HN 0.529 nan 8.310 nan 0.000 0.490 256 S N 1.626 117.269 115.700 -0.094 0.000 2.387 256 S HA 0.126 4.595 4.470 -0.000 0.000 0.226 256 S C 2.126 176.684 174.600 -0.069 0.000 1.026 256 S CA 0.891 59.049 58.200 -0.069 0.000 0.972 256 S CB -0.983 62.172 63.200 -0.074 0.000 0.814 256 S HN 0.758 nan 8.310 nan 0.000 0.477 257 G N 1.276 110.015 108.800 -0.101 0.000 2.408 257 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.217 257 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.217 257 G C 1.415 176.276 174.900 -0.065 0.000 1.150 257 G CA 0.829 45.878 45.100 -0.085 0.000 0.776 257 G HN 0.549 nan 8.290 nan 0.000 0.542 258 G N 0.982 109.742 108.800 -0.068 0.000 2.422 258 G HA2 0.075 4.035 3.960 -0.000 0.000 0.218 258 G HA3 0.075 4.035 3.960 -0.000 0.000 0.218 258 G C 1.972 176.848 174.900 -0.040 0.000 1.146 258 G CA 1.439 46.510 45.100 -0.048 0.000 0.769 258 G HN 0.607 nan 8.290 nan 0.000 0.547 259 A N 0.025 122.818 122.820 -0.044 0.000 1.929 259 A HA 0.180 4.500 4.320 -0.000 0.000 0.216 259 A C 2.543 180.103 177.584 -0.040 0.000 1.176 259 A CA 1.544 53.552 52.037 -0.048 0.000 0.628 259 A CB -0.445 18.522 19.000 -0.053 0.000 0.816 259 A HN 0.221 nan 8.150 nan 0.000 0.444 260 V N -0.160 119.736 119.914 -0.031 0.000 2.453 260 V HA -0.182 3.938 4.120 -0.000 0.000 0.247 260 V C 3.015 179.095 176.094 -0.023 0.000 1.048 260 V CA 1.647 63.934 62.300 -0.021 0.000 1.049 260 V CB -0.993 30.820 31.823 -0.017 0.000 0.672 260 V HN 0.595 nan 8.190 nan 0.000 0.457 261 A N 0.575 123.380 122.820 -0.026 0.000 1.902 261 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 261 A C 2.405 179.979 177.584 -0.018 0.000 1.181 261 A CA 1.996 54.020 52.037 -0.021 0.000 0.623 261 A CB -1.147 17.840 19.000 -0.020 0.000 0.818 261 A HN 0.521 nan 8.150 nan 0.000 0.443 262 G N -0.671 108.117 108.800 -0.020 0.000 2.402 262 G HA2 0.042 4.002 3.960 -0.000 0.000 0.216 262 G HA3 0.042 4.002 3.960 -0.000 0.000 0.216 262 G C 1.720 176.609 174.900 -0.017 0.000 1.162 262 G CA 1.313 46.403 45.100 -0.016 0.000 0.777 262 G HN 0.798 nan 8.290 nan 0.000 0.539 263 A N 0.463 123.270 122.820 -0.020 0.000 1.972 263 A HA 0.126 4.446 4.320 -0.000 0.000 0.219 263 A C 2.415 179.986 177.584 -0.021 0.000 1.169 263 A CA 1.104 53.132 52.037 -0.014 0.000 0.635 263 A CB -0.331 18.668 19.000 -0.001 0.000 0.810 263 A HN 0.362 nan 8.150 nan 0.000 0.446 264 L N -0.984 120.227 121.223 -0.020 0.000 2.027 264 L HA -0.185 4.155 4.340 -0.000 0.000 0.206 264 L C 2.899 179.753 176.870 -0.025 0.000 1.074 264 L CA 1.249 56.075 54.840 -0.023 0.000 0.745 264 L CB -0.498 41.549 42.059 -0.021 0.000 0.898 264 L HN 0.356 nan 8.230 nan 0.000 0.433 265 R N -0.367 120.121 120.500 -0.021 0.000 2.083 265 R HA -0.143 4.197 4.340 -0.000 0.000 0.237 265 R C 2.206 178.489 176.300 -0.029 0.000 1.137 265 R CA 1.444 57.534 56.100 -0.018 0.000 0.951 265 R CB -0.818 29.478 30.300 -0.007 0.000 0.851 265 R HN 0.239 nan 8.270 nan 0.000 0.434 266 V N 1.284 121.174 119.914 -0.041 0.000 2.295 266 V HA -0.243 3.876 4.120 -0.000 0.000 0.246 266 V C 2.587 178.600 176.094 -0.134 0.000 1.049 266 V CA 1.955 64.203 62.300 -0.088 0.000 1.024 266 V CB -0.814 30.948 31.823 -0.103 0.000 0.648 266 V HN 0.389 nan 8.190 nan 0.000 0.447 267 A N -0.207 122.554 122.820 -0.098 0.000 1.902 267 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 267 A C 2.387 179.937 177.584 -0.057 0.000 1.181 267 A CA 1.795 53.784 52.037 -0.081 0.000 0.623 267 A CB -0.487 18.488 19.000 -0.043 0.000 0.818 267 A HN 0.500 nan 8.150 nan 0.000 0.443 268 R N -0.725 119.750 120.500 -0.042 0.000 2.075 268 R HA -0.054 4.286 4.340 -0.000 0.000 0.232 268 R C 2.320 178.605 176.300 -0.025 0.000 1.126 268 R CA 1.196 57.279 56.100 -0.027 0.000 0.963 268 R CB -0.400 29.887 30.300 -0.021 0.000 0.858 268 R HN 0.497 nan 8.270 nan 0.000 0.435 269 A N 0.267 123.069 122.820 -0.029 0.000 2.168 269 A HA -0.011 4.309 4.320 -0.000 0.000 0.215 269 A C 0.381 177.956 177.584 -0.016 0.000 1.152 269 A CA 0.869 52.896 52.037 -0.016 0.000 0.716 269 A CB 0.276 19.272 19.000 -0.007 0.000 0.794 269 A HN 0.181 nan 8.150 nan 0.000 0.465 270 T N 1.487 116.016 114.554 -0.041 0.000 3.077 270 T HA 0.405 4.755 4.350 -0.000 0.000 0.359 270 T C -3.066 171.621 174.700 -0.023 0.000 1.108 270 T CA -1.102 60.982 62.100 -0.027 0.000 1.170 270 T CB 1.509 70.342 68.868 -0.059 0.000 1.045 270 T HN -0.061 nan 8.240 nan 0.000 0.505 271 P HA 0.249 nan 4.420 nan 0.000 0.264 271 P C 1.208 178.520 177.300 0.022 0.000 1.183 271 P CA 1.165 64.269 63.100 0.007 0.000 0.763 271 P CB 0.356 32.063 31.700 0.012 0.000 0.807 272 G N 1.740 110.556 108.800 0.026 0.000 2.205 272 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.261 272 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.261 272 G C 0.482 175.421 174.900 0.066 0.000 0.980 272 G CA 0.012 45.140 45.100 0.046 0.000 0.632 272 G HN 0.854 nan 8.290 nan 0.000 0.533 273 A N 0.681 123.528 122.820 0.044 0.000 2.498 273 A HA 0.545 4.865 4.320 -0.000 0.000 0.239 273 A C 0.575 178.225 177.584 0.109 0.000 1.068 273 A CA 0.379 52.453 52.037 0.062 0.000 0.766 273 A CB 0.158 19.058 19.000 -0.168 0.000 1.003 273 A HN 0.690 nan 8.150 nan 0.000 0.497 274 I N 4.305 124.986 120.570 0.186 0.000 2.361 274 I HA 0.187 4.356 4.170 -0.000 0.000 0.282 274 I C -0.263 176.001 176.117 0.246 0.000 1.075 274 I CA -0.157 61.270 61.300 0.212 0.000 1.205 274 I CB 0.364 38.455 38.000 0.152 0.000 1.406 274 I HN 0.259 nan 8.210 nan 0.000 0.481 275 V N 6.784 126.843 119.914 0.242 0.000 2.465 275 V HA 0.405 4.525 4.120 -0.000 0.000 0.279 275 V C 0.343 176.605 176.094 0.280 0.000 1.045 275 V CA -0.662 61.778 62.300 0.233 0.000 0.938 275 V CB 2.225 34.118 31.823 0.117 0.000 0.986 275 V HN 0.338 nan 8.190 nan 0.000 0.467 276 V N 3.994 124.074 119.914 0.277 0.000 2.448 276 V HA 0.831 4.951 4.120 -0.000 0.000 0.295 276 V C 0.285 176.479 176.094 0.167 0.000 1.025 276 V CA -0.325 62.152 62.300 0.296 0.000 0.859 276 V CB 1.600 33.648 31.823 0.374 0.000 0.988 276 V HN 1.051 nan 8.190 nan 0.000 0.431 277 A N 5.741 128.629 122.820 0.113 0.000 2.374 277 A HA 0.848 5.168 4.320 -0.000 0.000 0.317 277 A C -0.761 176.840 177.584 0.030 0.000 1.094 277 A CA -0.676 51.342 52.037 -0.031 0.000 0.765 277 A CB 1.125 20.114 19.000 -0.019 0.000 1.268 277 A HN 0.610 nan 8.150 nan 0.000 0.438 278 I N 2.887 123.436 120.570 -0.036 0.000 2.371 278 I HA 0.176 4.345 4.170 -0.000 0.000 0.290 278 I C -0.311 175.829 176.117 0.038 0.000 1.028 278 I CA -0.231 61.104 61.300 0.058 0.000 1.345 278 I CB 0.835 38.875 38.000 0.067 0.000 1.407 278 I HN 0.366 nan 8.210 nan 0.000 0.501 279 I N 6.646 127.253 120.570 0.062 0.000 2.306 279 I HA 0.130 4.299 4.170 -0.000 0.000 0.288 279 I C 1.064 177.213 176.117 0.053 0.000 1.036 279 I CA -0.167 61.158 61.300 0.041 0.000 1.221 279 I CB 1.172 39.202 38.000 0.048 0.000 1.385 279 I HN 0.677 nan 8.210 nan 0.000 0.472 280 C N 3.900 123.226 119.300 0.044 0.000 2.450 280 C HA -0.043 4.417 4.460 -0.000 0.000 0.279 280 C C 0.862 175.899 174.990 0.078 0.000 1.335 280 C CA 0.299 59.356 59.018 0.065 0.000 1.749 280 C CB -1.196 26.583 27.740 0.065 0.000 1.963 280 C HN 0.892 nan 8.230 nan 0.000 0.501 281 D N -2.043 118.398 120.400 0.069 0.000 2.713 281 D HA 0.284 4.924 4.640 -0.000 0.000 0.306 281 D C -0.980 175.349 176.300 0.048 0.000 1.299 281 D CA -0.763 53.290 54.000 0.088 0.000 0.823 281 D CB 0.374 41.265 40.800 0.152 0.000 1.353 281 D HN 0.071 nan 8.370 nan 0.000 0.447 282 R N -1.201 119.328 120.500 0.047 0.000 2.546 282 R HA 0.632 4.972 4.340 -0.000 0.000 0.266 282 R C 1.337 177.542 176.300 -0.159 0.000 1.086 282 R CA -0.244 55.828 56.100 -0.048 0.000 1.160 282 R CB 0.656 30.968 30.300 0.021 0.000 1.138 282 R HN 0.622 nan 8.270 nan 0.000 0.567 283 G N -0.216 108.138 108.800 -0.743 0.000 2.777 283 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.211 283 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.211 283 G C 0.633 175.258 174.900 -0.458 0.000 1.149 283 G CA 0.051 44.542 45.100 -1.014 0.000 0.785 283 G HN 0.597 nan 8.290 nan 0.000 0.536 284 D N 1.435 121.737 120.400 -0.164 0.000 2.154 284 D HA -0.171 4.469 4.640 -0.000 0.000 0.190 284 D C 2.120 178.486 176.300 0.111 0.000 1.003 284 D CA 0.932 55.035 54.000 0.171 0.000 0.849 284 D CB -0.108 40.794 40.800 0.170 0.000 0.942 284 D HN 0.292 nan 8.370 nan 0.000 0.446 285 R N -0.425 120.097 120.500 0.037 0.000 2.346 285 R HA -0.045 4.295 4.340 -0.000 0.000 0.199 285 R C 1.169 177.340 176.300 -0.216 0.000 1.015 285 R CA 0.256 56.296 56.100 -0.101 0.000 1.058 285 R CB -0.000 30.186 30.300 -0.190 0.000 0.921 285 R HN 0.415 nan 8.270 nan 0.000 0.475 286 Y N -0.786 119.550 120.300 0.060 0.000 2.462 286 Y HA 0.112 4.662 4.550 -0.000 0.000 0.253 286 Y C 1.914 177.935 175.900 0.202 0.000 1.095 286 Y CA -0.162 58.016 58.100 0.129 0.000 1.283 286 Y CB 0.169 38.745 38.460 0.192 0.000 1.138 286 Y HN -0.082 nan 8.280 nan 0.000 0.522 287 L N -0.032 121.380 121.223 0.315 0.000 2.021 287 L HA -0.337 4.003 4.340 -0.000 0.000 0.215 287 L C 2.508 179.492 176.870 0.190 0.000 1.074 287 L CA 2.105 57.104 54.840 0.265 0.000 0.760 287 L CB -0.772 41.392 42.059 0.176 0.000 0.889 287 L HN 0.321 nan 8.230 nan 0.000 0.433 288 S N -1.638 114.136 115.700 0.123 0.000 2.500 288 S HA -0.143 4.327 4.470 -0.000 0.000 0.239 288 S C 1.778 176.430 174.600 0.087 0.000 0.989 288 S CA 1.217 59.467 58.200 0.083 0.000 0.951 288 S CB -0.780 62.447 63.200 0.045 0.000 0.759 288 S HN 0.622 nan 8.310 nan 0.000 0.523 289 T N -3.309 111.316 114.554 0.119 0.000 3.100 289 T HA 0.478 4.828 4.350 -0.000 0.000 0.253 289 T C 1.732 176.501 174.700 0.114 0.000 1.118 289 T CA 0.805 62.968 62.100 0.105 0.000 1.058 289 T CB -0.353 68.587 68.868 0.121 0.000 0.953 289 T HN 1.094 nan 8.240 nan 0.000 0.515 290 G N 1.208 110.097 108.800 0.148 0.000 2.284 290 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.247 290 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.247 290 G C 1.215 176.196 174.900 0.135 0.000 1.012 290 G CA 0.610 45.791 45.100 0.134 0.000 0.618 290 G HN 1.381 nan 8.290 nan 0.000 0.521 291 V N -2.279 117.705 119.914 0.118 0.000 2.764 291 V HA 0.023 4.143 4.120 -0.000 0.000 0.261 291 V C 1.935 177.969 176.094 -0.101 0.000 1.108 291 V CA 2.376 64.669 62.300 -0.013 0.000 1.129 291 V CB -0.792 30.983 31.823 -0.080 0.000 0.701 291 V HN 0.407 nan 8.190 nan 0.000 0.495 292 F N 1.324 121.332 119.950 0.097 0.000 2.480 292 F HA 0.671 5.198 4.527 -0.000 0.000 0.212 292 F C 2.005 177.850 175.800 0.076 0.000 1.113 292 F CA 0.334 58.398 58.000 0.107 0.000 0.970 292 F CB -1.076 38.036 39.000 0.186 0.000 1.177 292 F HN 0.122 nan 8.300 nan 0.000 0.663 293 G N 0.746 109.749 108.800 0.337 0.000 2.202 293 G HA2 0.406 4.366 3.960 -0.000 0.000 0.251 293 G HA3 0.406 4.366 3.960 -0.000 0.000 0.251 293 G C -0.547 174.426 174.900 0.122 0.000 1.219 293 G CA 0.879 46.084 45.100 0.174 0.000 0.943 293 G HN 0.733 nan 8.290 nan 0.000 0.465 294 E N 0.000 120.251 120.200 0.086 0.000 2.725 294 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 294 E CA 0.000 nan 56.400 nan 0.000 0.976 294 E CB 0.000 nan 29.700 nan 0.000 0.812 294 E HN 0.000 nan 8.360 nan 0.000 0.440