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 2d0p_1_C DATA FIRST_RESID 1 DATA SEQUENCE MRYIAGIDIG NSSTEVALAT LDEAGALTIT HSALAETTGI KGTLRNVFGI DATA SEQUENCE QEALALVARG AGIAVSDISL IRINEATPVI GDVAMETITE TIITESTMIG DATA SEQUENCE HNPKTPGGAG LGTGITITPQ ELLTRPADAP YILVVSSAFD FADIASVINA DATA SEQUENCE SLRAGYQITG VILQRDDGVL VSNRLEKPLP IVDEVLYIDR IPLGMLAAIE DATA SEQUENCE VAVPGKVIET LSNPYGIATV FNLSPEETKN IVPMARALIG NRSAVVVKTP DATA SEQUENCE SGDVKARAIP AGNLELLAQG RSVRVDVAAG AEAIMKAVDG CGRLDNVTGE DATA SEQUENCE SGTNIGGMLE HVRQTMAELT NKPSSEIFIQ DLLAVDTSVP VSVTGGLAGE DATA SEQUENCE FSLEQAVGIA SMVKSDRLQM AMIAREIEQK LNIDVQIGGA EAEAAILGAL DATA SEQUENCE TTPGTTRPLA ILDLGAGSTD ASIINPKGDI IATHLAGAGD MVTMIIAREL DATA SEQUENCE GLEDRYLAEE IKKYPLAKVE SLFHLRHEDG SVQFFSTPLP PAVFARVCVV DATA SEQUENCE KADELVPLPG DLALEKVRAI RRSAKERVFV TNALRALRQV SPTGNIRDIP DATA SEQUENCE FVVLVGGSSL DFEVPQLVTD ALAHYRLVAG RGNIRGSEGP RNAVATGLIL DATA SEQUENCE SWHKE 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 0.000 176.151 176.300 -0.248 0.000 1.140 1 M CA 0.000 55.203 55.300 -0.162 0.000 0.988 1 M CB 0.000 32.505 32.600 -0.159 0.000 1.302 2 R N 2.115 122.451 120.500 -0.275 0.000 2.808 2 R HA 0.800 5.140 4.340 0.000 0.000 0.272 2 R C -1.695 174.414 176.300 -0.318 0.000 0.995 2 R CA -0.886 55.049 56.100 -0.276 0.000 0.917 2 R CB 1.564 31.808 30.300 -0.093 0.000 1.217 2 R HN 0.456 nan 8.270 nan 0.000 0.471 3 Y N 1.576 121.851 120.300 -0.041 0.000 2.341 3 Y HA 0.446 4.996 4.550 0.000 0.000 0.337 3 Y C 0.093 175.917 175.900 -0.126 0.000 1.014 3 Y CA -1.143 56.917 58.100 -0.066 0.000 1.111 3 Y CB 1.702 40.123 38.460 -0.065 0.000 1.194 3 Y HN 0.374 nan 8.280 nan 0.000 0.462 4 I N 2.228 122.802 120.570 0.007 0.000 2.441 4 I HA 0.724 4.894 4.170 0.000 0.000 0.295 4 I C -0.206 175.824 176.117 -0.145 0.000 0.994 4 I CA -1.503 59.672 61.300 -0.207 0.000 1.144 4 I CB 1.074 38.783 38.000 -0.485 0.000 1.314 4 I HN 0.623 nan 8.210 nan 0.000 0.445 5 A N 3.977 126.693 122.820 -0.173 0.000 2.318 5 A HA 0.814 5.134 4.320 0.000 0.000 0.324 5 A C 0.195 177.700 177.584 -0.131 0.000 1.170 5 A CA -0.492 51.471 52.037 -0.122 0.000 0.810 5 A CB 1.200 20.139 19.000 -0.103 0.000 1.198 5 A HN 0.940 nan 8.150 nan 0.000 0.484 6 G N 1.482 110.231 108.800 -0.086 0.000 2.332 6 G HA2 0.561 4.522 3.960 0.000 0.000 0.310 6 G HA3 0.561 4.522 3.960 0.000 0.000 0.310 6 G C -0.691 174.182 174.900 -0.044 0.000 1.123 6 G CA -0.265 44.796 45.100 -0.064 0.000 0.873 6 G HN 0.519 nan 8.290 nan 0.000 0.460 7 I N 2.365 122.912 120.570 -0.038 0.000 2.478 7 I HA 0.299 4.469 4.170 0.000 0.000 0.287 7 I C -1.532 174.578 176.117 -0.012 0.000 1.042 7 I CA -0.701 60.583 61.300 -0.026 0.000 1.067 7 I CB 2.113 40.093 38.000 -0.033 0.000 1.233 7 I HN 0.464 nan 8.210 nan 0.000 0.431 8 D N 7.537 127.935 120.400 -0.003 0.000 2.549 8 D HA 0.437 5.077 4.640 0.000 0.000 0.251 8 D C -0.740 175.566 176.300 0.010 0.000 1.153 8 D CA -0.254 53.749 54.000 0.005 0.000 0.861 8 D CB 1.262 42.066 40.800 0.007 0.000 1.207 8 D HN 0.336 nan 8.370 nan 0.000 0.543 9 I N 3.783 124.362 120.570 0.014 0.000 2.313 9 I HA 0.386 4.556 4.170 0.000 0.000 0.286 9 I C 1.257 177.387 176.117 0.021 0.000 1.091 9 I CA -0.693 60.618 61.300 0.018 0.000 1.216 9 I CB 1.064 39.076 38.000 0.019 0.000 1.434 9 I HN 0.331 nan 8.210 nan 0.000 0.487 10 G N 3.252 112.063 108.800 0.020 0.000 2.616 10 G HA2 0.035 3.995 3.960 0.000 0.000 0.268 10 G HA3 0.035 3.995 3.960 0.000 0.000 0.268 10 G C 0.717 175.631 174.900 0.023 0.000 1.213 10 G CA -0.380 44.733 45.100 0.021 0.000 0.926 10 G HN 0.515 nan 8.290 nan 0.000 0.523 11 N N -0.806 117.909 118.700 0.024 0.000 2.331 11 N HA -0.115 4.625 4.740 0.000 0.000 0.180 11 N C 2.377 177.899 175.510 0.020 0.000 1.019 11 N CA 1.504 54.568 53.050 0.024 0.000 0.881 11 N CB 0.200 38.703 38.487 0.027 0.000 0.972 11 N HN 0.504 nan 8.380 nan 0.000 0.435 12 S N -1.103 114.608 115.700 0.019 0.000 2.620 12 S HA 0.112 4.582 4.470 0.000 0.000 0.234 12 S C 0.839 175.449 174.600 0.017 0.000 1.064 12 S CA -0.323 57.886 58.200 0.016 0.000 0.920 12 S CB -0.108 63.100 63.200 0.014 0.000 0.826 12 S HN 0.169 nan 8.310 nan 0.000 0.557 13 S N 1.398 117.108 115.700 0.017 0.000 2.475 13 S HA 0.646 5.117 4.470 0.000 0.000 0.298 13 S C -0.761 173.850 174.600 0.019 0.000 1.119 13 S CA -0.596 57.615 58.200 0.018 0.000 1.085 13 S CB 1.408 64.616 63.200 0.014 0.000 1.028 13 S HN 0.212 nan 8.310 nan 0.000 0.489 14 T N 3.422 117.990 114.554 0.022 0.000 2.753 14 T HA 0.329 4.679 4.350 0.000 0.000 0.297 14 T C -0.386 174.321 174.700 0.012 0.000 0.981 14 T CA -0.466 61.645 62.100 0.019 0.000 0.956 14 T CB 0.284 69.169 68.868 0.027 0.000 0.936 14 T HN 0.653 nan 8.240 nan 0.000 0.463 15 E N 1.807 122.011 120.200 0.007 0.000 2.204 15 E HA 0.606 4.956 4.350 0.000 0.000 0.276 15 E C -0.920 175.678 176.600 -0.003 0.000 0.974 15 E CA -0.817 55.585 56.400 0.003 0.000 0.815 15 E CB 2.699 32.402 29.700 0.004 0.000 1.119 15 E HN 0.284 nan 8.360 nan 0.000 0.393 16 V N 1.015 120.926 119.914 -0.006 0.000 2.789 16 V HA 0.746 4.866 4.120 0.000 0.000 0.311 16 V C -1.487 174.602 176.094 -0.009 0.000 1.073 16 V CA -0.475 61.816 62.300 -0.016 0.000 0.921 16 V CB 1.756 33.562 31.823 -0.028 0.000 1.009 16 V HN 0.769 nan 8.190 nan 0.000 0.426 17 A N 6.070 128.882 122.820 -0.013 0.000 2.330 17 A HA 0.835 5.155 4.320 0.000 0.000 0.313 17 A C -1.332 176.247 177.584 -0.008 0.000 1.124 17 A CA -0.531 51.506 52.037 -0.000 0.000 0.774 17 A CB 1.394 20.397 19.000 0.005 0.000 1.198 17 A HN 1.158 nan 8.150 nan 0.000 0.465 18 L N 2.470 123.703 121.223 0.017 0.000 2.317 18 L HA 0.906 5.246 4.340 0.000 0.000 0.281 18 L C -0.004 176.910 176.870 0.073 0.000 1.024 18 L CA -0.029 54.816 54.840 0.008 0.000 0.810 18 L CB 1.455 43.487 42.059 -0.044 0.000 1.240 18 L HN 1.037 nan 8.230 nan 0.000 0.427 19 A N 2.006 124.882 122.820 0.093 0.000 2.556 19 A HA 0.826 5.146 4.320 0.000 0.000 0.294 19 A C -0.780 176.935 177.584 0.219 0.000 1.091 19 A CA -0.080 52.037 52.037 0.133 0.000 0.704 19 A CB 1.608 20.654 19.000 0.077 0.000 1.300 19 A HN 0.774 nan 8.150 nan 0.000 0.406 20 T N -0.255 114.407 114.554 0.179 0.000 2.797 20 T HA 0.589 4.939 4.350 0.000 0.000 0.279 20 T C -0.685 174.036 174.700 0.034 0.000 0.991 20 T CA -0.600 61.561 62.100 0.101 0.000 0.979 20 T CB 1.120 70.045 68.868 0.096 0.000 0.943 20 T HN 0.702 nan 8.240 nan 0.000 0.444 21 L N 4.876 126.085 121.223 -0.023 0.000 2.283 21 L HA 0.382 4.722 4.340 0.000 0.000 0.281 21 L C -0.284 176.563 176.870 -0.038 0.000 1.033 21 L CA -0.381 54.464 54.840 0.008 0.000 0.848 21 L CB 0.185 42.286 42.059 0.069 0.000 1.226 21 L HN 0.970 nan 8.230 nan 0.000 0.429 22 D N 3.688 124.077 120.400 -0.018 0.000 2.384 22 D HA -0.010 4.630 4.640 0.000 0.000 0.244 22 D C 1.057 177.348 176.300 -0.016 0.000 1.251 22 D CA -0.247 53.735 54.000 -0.029 0.000 0.961 22 D CB 0.697 41.492 40.800 -0.007 0.000 1.116 22 D HN 0.490 nan 8.370 nan 0.000 0.484 23 E N 0.287 120.475 120.200 -0.020 0.000 2.160 23 E HA -0.233 4.117 4.350 0.000 0.000 0.195 23 E C 1.850 178.450 176.600 0.000 0.000 0.991 23 E CA 1.509 57.902 56.400 -0.012 0.000 0.810 23 E CB -0.967 28.725 29.700 -0.014 0.000 0.742 23 E HN 0.572 nan 8.360 nan 0.000 0.466 24 A N 0.984 123.807 122.820 0.005 0.000 1.969 24 A HA 0.173 4.493 4.320 0.000 0.000 0.218 24 A C 2.037 179.635 177.584 0.022 0.000 1.169 24 A CA 2.100 54.144 52.037 0.012 0.000 0.635 24 A CB -0.487 18.521 19.000 0.014 0.000 0.810 24 A HN 0.542 nan 8.150 nan 0.000 0.445 25 G N -3.009 105.811 108.800 0.033 0.000 2.159 25 G HA2 0.254 4.214 3.960 0.000 0.000 0.170 25 G HA3 0.254 4.214 3.960 0.000 0.000 0.170 25 G C 0.159 175.127 174.900 0.114 0.000 1.007 25 G CA 0.104 45.239 45.100 0.058 0.000 0.672 25 G HN 1.492 nan 8.290 nan 0.000 0.507 26 A N 0.470 123.347 122.820 0.095 0.000 2.274 26 A HA 0.787 5.107 4.320 0.000 0.000 0.309 26 A C 0.249 177.913 177.584 0.134 0.000 1.226 26 A CA -0.361 51.757 52.037 0.135 0.000 0.853 26 A CB 0.861 19.909 19.000 0.080 0.000 1.146 26 A HN 0.806 nan 8.150 nan 0.000 0.518 27 L N 2.293 123.641 121.223 0.209 0.000 2.312 27 L HA 0.522 4.862 4.340 0.000 0.000 0.281 27 L C -0.401 176.546 176.870 0.128 0.000 1.070 27 L CA 0.011 54.932 54.840 0.136 0.000 0.805 27 L CB 1.619 43.751 42.059 0.121 0.000 1.174 27 L HN 0.764 nan 8.230 nan 0.000 0.434 28 T N 5.161 119.777 114.554 0.104 0.000 3.186 28 T HA 0.403 4.753 4.350 0.000 0.000 0.320 28 T C -0.226 174.531 174.700 0.096 0.000 0.955 28 T CA -0.346 61.809 62.100 0.091 0.000 1.030 28 T CB 0.812 69.728 68.868 0.080 0.000 1.013 28 T HN 0.296 nan 8.240 nan 0.000 0.454 29 I N 3.792 124.410 120.570 0.080 0.000 2.363 29 I HA 0.186 4.356 4.170 0.000 0.000 0.292 29 I C 1.602 177.748 176.117 0.048 0.000 1.075 29 I CA 0.003 61.346 61.300 0.072 0.000 1.333 29 I CB 1.029 39.062 38.000 0.055 0.000 1.415 29 I HN 0.763 nan 8.210 nan 0.000 0.502 30 T N 0.829 115.431 114.554 0.081 0.000 3.003 30 T HA 0.256 4.606 4.350 0.000 0.000 0.261 30 T C 0.255 174.779 174.700 -0.293 0.000 1.003 30 T CA 0.016 62.108 62.100 -0.014 0.000 0.917 30 T CB 0.084 69.044 68.868 0.153 0.000 1.084 30 T HN 0.571 nan 8.240 nan 0.000 0.522 31 H N -0.106 118.960 119.070 -0.007 0.000 3.017 31 H HA 0.783 5.339 4.556 0.000 0.000 0.346 31 H C -1.047 174.266 175.328 -0.025 0.000 1.286 31 H CA -0.655 55.379 56.048 -0.023 0.000 1.120 31 H CB 2.143 31.876 29.762 -0.048 0.000 1.860 31 H HN 0.197 nan 8.280 nan 0.000 0.542 32 S N -0.179 115.580 115.700 0.098 0.000 2.656 32 S HA 0.976 5.446 4.470 0.000 0.000 0.273 32 S C -1.231 173.390 174.600 0.035 0.000 1.168 32 S CA -0.318 57.909 58.200 0.044 0.000 0.817 32 S CB 2.348 65.559 63.200 0.018 0.000 1.146 32 S HN 0.943 nan 8.310 nan 0.000 0.475 33 A N 0.442 123.271 122.820 0.015 0.000 2.515 33 A HA 0.831 5.151 4.320 0.000 0.000 0.292 33 A C -2.158 175.428 177.584 0.004 0.000 1.065 33 A CA -0.834 51.208 52.037 0.008 0.000 0.641 33 A CB 0.657 19.658 19.000 0.001 0.000 1.306 33 A HN 1.617 nan 8.150 nan 0.000 0.441 34 L N -2.840 118.387 121.223 0.006 0.000 2.518 34 L HA 1.040 5.381 4.340 0.000 0.000 0.257 34 L C -0.595 176.284 176.870 0.016 0.000 0.980 34 L CA -0.632 54.214 54.840 0.009 0.000 0.837 34 L CB 1.785 43.850 42.059 0.009 0.000 1.410 34 L HN 1.943 nan 8.230 nan 0.000 0.410 35 A N 1.087 123.920 122.820 0.023 0.000 2.556 35 A HA 0.658 4.978 4.320 0.000 0.000 0.294 35 A C -1.123 176.487 177.584 0.043 0.000 1.091 35 A CA -0.561 51.499 52.037 0.038 0.000 0.704 35 A CB 1.847 20.877 19.000 0.049 0.000 1.300 35 A HN 0.813 nan 8.150 nan 0.000 0.406 36 E N 0.940 121.170 120.200 0.050 0.000 2.292 36 E HA 0.319 4.669 4.350 0.000 0.000 0.265 36 E C 0.034 176.664 176.600 0.049 0.000 1.093 36 E CA 0.399 56.822 56.400 0.039 0.000 0.922 36 E CB 0.102 29.819 29.700 0.028 0.000 1.001 36 E HN 0.543 nan 8.360 nan 0.000 0.444 37 T N 3.902 118.479 114.554 0.038 0.000 2.946 37 T HA 0.031 4.381 4.350 0.000 0.000 0.312 37 T C -0.071 174.650 174.700 0.035 0.000 1.066 37 T CA 0.646 62.770 62.100 0.040 0.000 1.138 37 T CB 0.156 69.041 68.868 0.029 0.000 1.014 37 T HN 0.584 nan 8.240 nan 0.000 0.544 38 T N 0.767 115.349 114.554 0.046 0.000 2.770 38 T HA 0.673 5.023 4.350 0.000 0.000 0.283 38 T C 0.439 175.151 174.700 0.021 0.000 0.988 38 T CA -0.142 61.972 62.100 0.023 0.000 0.957 38 T CB 1.213 70.103 68.868 0.037 0.000 0.930 38 T HN 1.124 nan 8.240 nan 0.000 0.443 39 G N 2.812 111.615 108.800 0.005 0.000 2.725 39 G HA2 -0.003 3.957 3.960 0.000 0.000 0.220 39 G HA3 -0.003 3.957 3.960 0.000 0.000 0.220 39 G C -0.753 174.155 174.900 0.013 0.000 1.357 39 G CA -0.503 44.602 45.100 0.009 0.000 0.866 39 G HN 0.994 nan 8.290 nan 0.000 0.548 40 I N 0.485 121.064 120.570 0.014 0.000 2.440 40 I HA 0.382 4.552 4.170 0.000 0.000 0.294 40 I C 1.136 177.265 176.117 0.019 0.000 0.995 40 I CA -0.784 60.526 61.300 0.016 0.000 1.306 40 I CB 1.614 39.623 38.000 0.014 0.000 1.407 40 I HN 0.685 nan 8.210 nan 0.000 0.501 41 K N 4.823 125.237 120.400 0.022 0.000 2.323 41 K HA 0.013 4.333 4.320 0.000 0.000 0.262 41 K C 0.941 177.554 176.600 0.023 0.000 1.238 41 K CA 1.185 57.487 56.287 0.024 0.000 1.249 41 K CB -0.795 31.723 32.500 0.029 0.000 0.805 41 K HN 1.060 nan 8.250 nan 0.000 0.489 42 G N 2.364 111.176 108.800 0.021 0.000 2.231 42 G HA2 -0.266 3.694 3.960 0.000 0.000 0.206 42 G HA3 -0.266 3.694 3.960 0.000 0.000 0.206 42 G C 0.260 175.169 174.900 0.014 0.000 0.996 42 G CA 0.117 45.228 45.100 0.017 0.000 0.645 42 G HN 0.839 nan 8.290 nan 0.000 0.498 43 T N -1.322 113.241 114.554 0.015 0.000 2.729 43 T HA 0.607 4.957 4.350 0.000 0.000 0.298 43 T C 1.550 176.259 174.700 0.016 0.000 1.013 43 T CA 0.175 62.283 62.100 0.013 0.000 0.957 43 T CB 1.347 70.222 68.868 0.013 0.000 1.130 43 T HN 0.448 nan 8.240 nan 0.000 0.526 44 L N -0.499 120.734 121.223 0.016 0.000 2.446 44 L HA 0.237 4.577 4.340 0.000 0.000 0.219 44 L C 2.853 179.740 176.870 0.028 0.000 1.116 44 L CA 0.449 55.300 54.840 0.019 0.000 0.844 44 L CB -0.281 41.786 42.059 0.015 0.000 0.970 44 L HN 0.728 nan 8.230 nan 0.000 0.457 45 R N 0.386 120.903 120.500 0.029 0.000 2.148 45 R HA -0.147 4.193 4.340 0.000 0.000 0.227 45 R C 1.585 177.924 176.300 0.064 0.000 1.103 45 R CA 1.596 57.721 56.100 0.042 0.000 0.983 45 R CB -0.366 29.949 30.300 0.025 0.000 0.874 45 R HN 0.430 nan 8.270 nan 0.000 0.451 46 N N -0.067 118.663 118.700 0.050 0.000 2.405 46 N HA -0.200 4.541 4.740 0.000 0.000 0.189 46 N C 1.546 177.100 175.510 0.072 0.000 1.021 46 N CA 1.291 54.375 53.050 0.057 0.000 0.891 46 N CB -0.157 38.352 38.487 0.036 0.000 0.955 46 N HN 0.171 nan 8.380 nan 0.000 0.443 47 V N -0.785 119.170 119.914 0.068 0.000 2.282 47 V HA -0.299 3.821 4.120 0.000 0.000 0.249 47 V C 1.843 177.980 176.094 0.071 0.000 1.057 47 V CA 1.638 63.969 62.300 0.052 0.000 1.032 47 V CB -1.209 30.639 31.823 0.041 0.000 0.645 47 V HN 0.216 nan 8.190 nan 0.000 0.447 48 F N 2.644 122.590 119.950 -0.008 0.000 2.095 48 F HA 0.034 4.561 4.527 0.000 0.000 0.298 48 F C 2.447 178.241 175.800 -0.009 0.000 1.104 48 F CA 1.948 59.943 58.000 -0.008 0.000 1.232 48 F CB -0.798 38.198 39.000 -0.006 0.000 0.987 48 F HN 0.218 nan 8.300 nan 0.000 0.475 49 G N 0.911 109.896 108.800 0.309 0.000 2.553 49 G HA2 -0.313 3.648 3.960 0.000 0.000 0.218 49 G HA3 -0.313 3.648 3.960 0.000 0.000 0.218 49 G C 1.688 176.628 174.900 0.067 0.000 1.195 49 G CA 1.534 46.745 45.100 0.185 0.000 0.779 49 G HN 0.475 nan 8.290 nan 0.000 0.577 50 I N 0.304 120.891 120.570 0.028 0.000 2.361 50 I HA -0.184 3.986 4.170 0.000 0.000 0.251 50 I C 3.028 179.107 176.117 -0.063 0.000 1.133 50 I CA 0.915 62.206 61.300 -0.015 0.000 1.413 50 I CB -0.267 37.724 38.000 -0.016 0.000 1.073 50 I HN 0.229 nan 8.210 nan 0.000 0.424 51 Q N 0.416 120.147 119.800 -0.115 0.000 2.084 51 Q HA -0.256 4.085 4.340 0.000 0.000 0.202 51 Q C 2.092 177.971 176.000 -0.201 0.000 0.978 51 Q CA 1.608 57.291 55.803 -0.200 0.000 0.844 51 Q CB -0.107 28.421 28.738 -0.351 0.000 0.898 51 Q HN 0.446 nan 8.270 nan 0.000 0.426 52 E N 0.601 120.690 120.200 -0.185 0.000 2.015 52 E HA -0.093 4.257 4.350 0.000 0.000 0.191 52 E C 1.864 178.431 176.600 -0.055 0.000 0.991 52 E CA 1.276 57.614 56.400 -0.104 0.000 0.802 52 E CB -0.362 29.351 29.700 0.022 0.000 0.759 52 E HN 0.321 nan 8.360 nan 0.000 0.447 53 A N 0.803 123.607 122.820 -0.028 0.000 1.903 53 A HA -0.247 4.073 4.320 0.000 0.000 0.219 53 A C 2.330 179.885 177.584 -0.048 0.000 1.191 53 A CA 1.721 53.743 52.037 -0.024 0.000 0.638 53 A CB -0.965 18.027 19.000 -0.013 0.000 0.823 53 A HN 0.315 nan 8.150 nan 0.000 0.451 54 L N -1.192 119.991 121.223 -0.066 0.000 1.994 54 L HA -0.233 4.107 4.340 0.000 0.000 0.208 54 L C 3.198 180.012 176.870 -0.093 0.000 1.071 54 L CA 1.309 56.099 54.840 -0.082 0.000 0.745 54 L CB -0.747 41.259 42.059 -0.089 0.000 0.892 54 L HN 0.494 nan 8.230 nan 0.000 0.431 55 A N 0.038 122.800 122.820 -0.097 0.000 1.892 55 A HA -0.240 4.080 4.320 0.000 0.000 0.218 55 A C 2.217 179.752 177.584 -0.082 0.000 1.188 55 A CA 1.655 53.634 52.037 -0.096 0.000 0.631 55 A CB -0.812 18.126 19.000 -0.103 0.000 0.822 55 A HN 0.354 nan 8.150 nan 0.000 0.447 56 L N -1.122 120.063 121.223 -0.064 0.000 1.924 56 L HA -0.205 4.135 4.340 0.000 0.000 0.222 56 L C 2.514 179.343 176.870 -0.068 0.000 1.081 56 L CA 1.902 56.712 54.840 -0.050 0.000 0.780 56 L CB -0.830 41.213 42.059 -0.027 0.000 0.891 56 L HN 0.320 nan 8.230 nan 0.000 0.434 57 V N 0.067 119.942 119.914 -0.065 0.000 2.428 57 V HA -0.390 3.730 4.120 0.000 0.000 0.255 57 V C 2.525 178.515 176.094 -0.173 0.000 1.080 57 V CA 2.057 64.308 62.300 -0.082 0.000 1.083 57 V CB -0.481 31.300 31.823 -0.069 0.000 0.665 57 V HN 0.566 nan 8.190 nan 0.000 0.461 58 A N -0.009 122.708 122.820 -0.172 0.000 1.841 58 A HA -0.294 4.026 4.320 0.000 0.000 0.216 58 A C 2.383 179.838 177.584 -0.215 0.000 1.199 58 A CA 2.243 54.148 52.037 -0.220 0.000 0.621 58 A CB -0.894 18.005 19.000 -0.167 0.000 0.835 58 A HN 0.594 nan 8.150 nan 0.000 0.445 59 R N -0.629 119.785 120.500 -0.143 0.000 2.119 59 R HA -0.173 4.167 4.340 0.000 0.000 0.246 59 R C 2.211 178.435 176.300 -0.127 0.000 1.146 59 R CA 1.789 57.822 56.100 -0.113 0.000 0.962 59 R CB -0.841 29.417 30.300 -0.070 0.000 0.863 59 R HN 0.509 nan 8.270 nan 0.000 0.442 60 G N -0.544 108.180 108.800 -0.127 0.000 2.475 60 G HA2 -0.264 3.696 3.960 0.000 0.000 0.220 60 G HA3 -0.264 3.696 3.960 0.000 0.000 0.220 60 G C 1.100 175.835 174.900 -0.274 0.000 1.125 60 G CA 0.877 45.931 45.100 -0.078 0.000 0.755 60 G HN 0.497 nan 8.290 nan 0.000 0.565 61 A N -0.849 121.600 122.820 -0.618 0.000 2.503 61 A HA 0.541 4.862 4.320 0.000 0.000 0.263 61 A C 1.954 179.339 177.584 -0.332 0.000 1.258 61 A CA 0.914 52.480 52.037 -0.785 0.000 0.936 61 A CB -0.261 18.059 19.000 -1.133 0.000 1.070 61 A HN 1.513 nan 8.150 nan 0.000 0.522 62 G N 0.619 109.286 108.800 -0.222 0.000 2.302 62 G HA2 -0.361 3.599 3.960 0.000 0.000 0.263 62 G HA3 -0.361 3.599 3.960 0.000 0.000 0.263 62 G C 0.633 175.455 174.900 -0.130 0.000 0.995 62 G CA 0.698 45.721 45.100 -0.128 0.000 0.622 62 G HN 1.348 nan 8.290 nan 0.000 0.538 63 I N -0.595 119.853 120.570 -0.203 0.000 3.381 63 I HA 0.590 4.760 4.170 0.000 0.000 0.275 63 I C 0.728 176.756 176.117 -0.148 0.000 1.252 63 I CA -0.291 60.901 61.300 -0.181 0.000 1.292 63 I CB 0.560 38.343 38.000 -0.362 0.000 1.396 63 I HN 0.533 nan 8.210 nan 0.000 0.637 64 A N 2.740 125.498 122.820 -0.103 0.000 2.281 64 A HA 0.531 4.852 4.320 0.000 0.000 0.329 64 A C 0.987 178.512 177.584 -0.098 0.000 1.122 64 A CA -0.553 51.432 52.037 -0.086 0.000 0.850 64 A CB 1.218 20.188 19.000 -0.050 0.000 1.207 64 A HN 0.730 nan 8.150 nan 0.000 0.495 65 V N 1.184 121.045 119.914 -0.088 0.000 2.332 65 V HA -0.247 3.873 4.120 0.000 0.000 0.248 65 V C 2.591 178.645 176.094 -0.067 0.000 1.055 65 V CA 2.790 65.036 62.300 -0.090 0.000 1.038 65 V CB -1.265 30.508 31.823 -0.083 0.000 0.651 65 V HN 1.057 nan 8.190 nan 0.000 0.450 66 S N -0.289 115.384 115.700 -0.046 0.000 2.555 66 S HA -0.130 4.341 4.470 0.000 0.000 0.230 66 S C 1.269 175.868 174.600 -0.001 0.000 0.978 66 S CA 0.993 59.178 58.200 -0.026 0.000 0.934 66 S CB -0.428 62.759 63.200 -0.021 0.000 0.766 66 S HN 0.624 nan 8.310 nan 0.000 0.533 67 D N 1.554 121.962 120.400 0.014 0.000 2.355 67 D HA 0.200 4.840 4.640 0.000 0.000 0.218 67 D C 0.423 176.809 176.300 0.143 0.000 1.004 67 D CA 0.211 54.266 54.000 0.091 0.000 0.880 67 D CB -0.130 40.760 40.800 0.150 0.000 0.911 67 D HN 0.513 nan 8.370 nan 0.000 0.528 68 I N 1.027 121.632 120.570 0.059 0.000 2.416 68 I HA 0.017 4.187 4.170 0.000 0.000 0.288 68 I C 1.202 177.329 176.117 0.017 0.000 1.051 68 I CA -0.149 61.184 61.300 0.055 0.000 1.375 68 I CB 1.445 39.430 38.000 -0.025 0.000 1.407 68 I HN -0.255 nan 8.210 nan 0.000 0.516 69 S N 5.444 121.150 115.700 0.009 0.000 2.441 69 S HA 0.164 4.634 4.470 0.000 0.000 0.224 69 S C 0.150 174.720 174.600 -0.050 0.000 1.043 69 S CA 0.153 58.344 58.200 -0.015 0.000 0.948 69 S CB 0.143 63.337 63.200 -0.010 0.000 0.810 69 S HN 0.525 nan 8.310 nan 0.000 0.504 70 L N 1.223 122.383 121.223 -0.105 0.000 2.470 70 L HA 0.584 4.925 4.340 0.000 0.000 0.268 70 L C -1.601 175.152 176.870 -0.196 0.000 0.964 70 L CA -0.504 54.240 54.840 -0.159 0.000 0.839 70 L CB 1.327 43.238 42.059 -0.247 0.000 1.276 70 L HN 0.046 nan 8.230 nan 0.000 0.403 71 I N 4.225 124.707 120.570 -0.147 0.000 2.498 71 I HA 0.532 4.702 4.170 0.000 0.000 0.301 71 I C -0.001 176.025 176.117 -0.151 0.000 0.984 71 I CA -0.701 60.514 61.300 -0.141 0.000 1.204 71 I CB 1.535 39.480 38.000 -0.092 0.000 1.362 71 I HN 0.569 nan 8.210 nan 0.000 0.471 72 R N 5.383 125.793 120.500 -0.149 0.000 2.599 72 R HA 0.719 5.060 4.340 0.000 0.000 0.295 72 R C -1.134 175.130 176.300 -0.060 0.000 0.963 72 R CA -0.696 55.337 56.100 -0.112 0.000 0.883 72 R CB 2.288 32.500 30.300 -0.146 0.000 1.171 72 R HN 0.522 nan 8.270 nan 0.000 0.450 73 I N 0.953 121.504 120.570 -0.031 0.000 2.846 73 I HA 0.295 4.465 4.170 0.000 0.000 0.307 73 I C -0.143 175.975 176.117 0.003 0.000 1.053 73 I CA -0.951 60.341 61.300 -0.014 0.000 1.050 73 I CB 2.264 40.259 38.000 -0.009 0.000 1.239 73 I HN 0.523 nan 8.210 nan 0.000 0.439 74 N N 2.032 120.738 118.700 0.010 0.000 2.509 74 N HA 0.087 4.827 4.740 0.000 0.000 0.287 74 N C -0.509 175.015 175.510 0.023 0.000 1.121 74 N CA -0.488 52.575 53.050 0.021 0.000 0.977 74 N CB 1.152 39.653 38.487 0.024 0.000 1.167 74 N HN 0.505 nan 8.380 nan 0.000 0.476 75 E N 2.164 122.381 120.200 0.028 0.000 2.059 75 E HA 0.109 4.459 4.350 0.000 0.000 0.262 75 E C -0.828 175.790 176.600 0.030 0.000 1.230 75 E CA -0.235 56.181 56.400 0.027 0.000 0.951 75 E CB 0.006 29.723 29.700 0.028 0.000 1.038 75 E HN 0.484 nan 8.360 nan 0.000 0.425 76 A N 4.823 127.659 122.820 0.026 0.000 2.457 76 A HA 0.177 4.498 4.320 0.000 0.000 0.298 76 A C 0.146 177.747 177.584 0.029 0.000 1.288 76 A CA -0.336 51.718 52.037 0.030 0.000 0.956 76 A CB 0.062 19.076 19.000 0.025 0.000 1.135 76 A HN 0.565 nan 8.150 nan 0.000 0.535 77 T N 5.879 120.456 114.554 0.038 0.000 2.869 77 T HA 0.432 4.782 4.350 0.000 0.000 0.295 77 T C -2.382 172.338 174.700 0.034 0.000 0.987 77 T CA -0.626 61.493 62.100 0.031 0.000 1.109 77 T CB 0.844 69.731 68.868 0.032 0.000 0.932 77 T HN 0.518 nan 8.240 nan 0.000 0.518 78 P HA 0.348 nan 4.420 nan 0.000 0.281 78 P C -1.205 176.109 177.300 0.024 0.000 1.286 78 P CA -0.300 62.812 63.100 0.020 0.000 0.772 78 P CB 0.563 32.266 31.700 0.006 0.000 0.862 79 V N 6.069 126.011 119.914 0.047 0.000 2.509 79 V HA 0.381 4.501 4.120 0.000 0.000 0.289 79 V C 0.248 176.382 176.094 0.066 0.000 1.026 79 V CA -0.498 61.838 62.300 0.061 0.000 0.872 79 V CB 1.453 33.350 31.823 0.123 0.000 1.017 79 V HN 0.506 nan 8.190 nan 0.000 0.436 80 I N 1.646 122.245 120.570 0.047 0.000 2.730 80 I HA 1.074 5.245 4.170 0.000 0.000 0.298 80 I C 0.204 176.347 176.117 0.043 0.000 1.089 80 I CA -0.398 60.929 61.300 0.045 0.000 1.041 80 I CB 2.477 40.499 38.000 0.037 0.000 1.235 80 I HN 0.552 nan 8.210 nan 0.000 0.423 81 G N 2.327 111.152 108.800 0.042 0.000 3.209 81 G HA2 0.641 4.601 3.960 0.000 0.000 0.236 81 G HA3 0.641 4.601 3.960 0.000 0.000 0.236 81 G C -1.778 173.144 174.900 0.037 0.000 1.329 81 G CA -0.320 44.803 45.100 0.038 0.000 1.015 81 G HN 0.795 nan 8.290 nan 0.000 0.571 82 D N -2.678 117.739 120.400 0.030 0.000 2.738 82 D HA 0.454 5.094 4.640 0.000 0.000 0.308 82 D C -1.923 174.381 176.300 0.007 0.000 1.311 82 D CA -0.192 53.821 54.000 0.022 0.000 0.799 82 D CB 2.329 43.155 40.800 0.042 0.000 1.332 82 D HN 0.613 nan 8.370 nan 0.000 0.441 83 V N 0.190 120.100 119.914 -0.007 0.000 3.000 83 V HA 0.801 4.921 4.120 0.000 0.000 0.300 83 V C -1.549 174.531 176.094 -0.024 0.000 1.251 83 V CA 0.077 62.367 62.300 -0.016 0.000 0.972 83 V CB 1.509 33.317 31.823 -0.025 0.000 1.065 83 V HN 0.864 nan 8.190 nan 0.000 0.431 84 A N 6.634 129.441 122.820 -0.022 0.000 2.483 84 A HA 1.056 5.376 4.320 0.000 0.000 0.286 84 A C -0.664 176.909 177.584 -0.019 0.000 1.207 84 A CA -0.406 51.616 52.037 -0.025 0.000 0.764 84 A CB 2.156 21.139 19.000 -0.029 0.000 1.341 84 A HN 1.697 nan 8.150 nan 0.000 0.428 85 M N -0.980 118.609 119.600 -0.018 0.000 2.690 85 M HA 0.934 5.415 4.480 0.000 0.000 0.302 85 M C -0.990 175.302 176.300 -0.012 0.000 1.234 85 M CA -0.477 54.814 55.300 -0.015 0.000 0.853 85 M CB 2.029 34.619 32.600 -0.016 0.000 1.748 85 M HN 0.518 nan 8.290 nan 0.000 0.469 86 E N 1.234 121.429 120.200 -0.009 0.000 2.234 86 E HA 0.406 4.756 4.350 0.000 0.000 0.266 86 E C -1.234 175.364 176.600 -0.004 0.000 0.877 86 E CA -0.394 56.002 56.400 -0.006 0.000 0.758 86 E CB 2.045 31.743 29.700 -0.003 0.000 1.170 86 E HN 0.766 nan 8.360 nan 0.000 0.415 87 T N 1.676 116.228 114.554 -0.003 0.000 2.834 87 T HA 0.304 4.655 4.350 0.000 0.000 0.298 87 T C 0.908 175.609 174.700 0.003 0.000 0.966 87 T CA -0.317 61.783 62.100 0.000 0.000 1.141 87 T CB 0.102 68.971 68.868 0.001 0.000 0.905 87 T HN 0.539 nan 8.240 nan 0.000 0.535 88 I N -0.008 120.564 120.570 0.004 0.000 3.621 88 I HA 0.408 4.578 4.170 0.000 0.000 0.325 88 I C -0.120 176.001 176.117 0.006 0.000 1.554 88 I CA -0.531 60.772 61.300 0.004 0.000 1.053 88 I CB 0.572 38.574 38.000 0.003 0.000 1.302 88 I HN 0.830 nan 8.210 nan 0.000 0.518 89 T N -1.934 112.625 114.554 0.008 0.000 2.889 89 T HA 0.642 4.992 4.350 0.000 0.000 0.315 89 T C -0.887 173.821 174.700 0.013 0.000 1.291 89 T CA -0.527 61.579 62.100 0.010 0.000 1.028 89 T CB 2.328 71.202 68.868 0.010 0.000 1.235 89 T HN 0.485 nan 8.240 nan 0.000 0.491 90 E N 0.576 120.784 120.200 0.013 0.000 2.378 90 E HA 0.715 5.065 4.350 0.000 0.000 0.265 90 E C -1.389 175.220 176.600 0.015 0.000 0.932 90 E CA -1.129 55.281 56.400 0.016 0.000 0.795 90 E CB 2.144 31.854 29.700 0.016 0.000 1.296 90 E HN 0.544 nan 8.360 nan 0.000 0.438 91 T N 1.578 116.142 114.554 0.017 0.000 2.847 91 T HA 0.444 4.794 4.350 0.000 0.000 0.291 91 T C -0.442 174.264 174.700 0.009 0.000 0.998 91 T CA -0.496 61.611 62.100 0.012 0.000 0.967 91 T CB 0.284 69.160 68.868 0.013 0.000 0.954 91 T HN 0.347 nan 8.240 nan 0.000 0.441 92 I N 3.465 124.039 120.570 0.007 0.000 2.377 92 I HA 0.470 4.640 4.170 0.000 0.000 0.293 92 I C -0.118 176.001 176.117 0.003 0.000 0.987 92 I CA -0.816 60.487 61.300 0.006 0.000 1.185 92 I CB 1.537 39.542 38.000 0.009 0.000 1.341 92 I HN 0.490 nan 8.210 nan 0.000 0.455 93 I N 5.731 126.302 120.570 0.000 0.000 2.291 93 I HA 0.196 4.366 4.170 0.000 0.000 0.290 93 I C 0.323 176.444 176.117 0.007 0.000 1.050 93 I CA -0.312 60.988 61.300 0.000 0.000 1.245 93 I CB 0.859 38.853 38.000 -0.010 0.000 1.405 93 I HN 0.614 nan 8.210 nan 0.000 0.478 94 T N 1.439 116.000 114.554 0.011 0.000 2.837 94 T HA 0.354 4.704 4.350 0.000 0.000 0.285 94 T C 0.411 175.121 174.700 0.017 0.000 0.984 94 T CA -0.416 61.692 62.100 0.014 0.000 1.049 94 T CB 1.876 70.752 68.868 0.014 0.000 0.947 94 T HN 0.787 nan 8.240 nan 0.000 0.472 95 E N 1.293 121.505 120.200 0.019 0.000 3.763 95 E HA -0.272 4.078 4.350 0.000 0.000 0.319 95 E C 0.242 176.855 176.600 0.022 0.000 0.804 95 E CA 0.864 57.275 56.400 0.019 0.000 1.196 95 E CB -1.612 28.098 29.700 0.016 0.000 1.607 95 E HN 1.345 nan 8.360 nan 0.000 0.431 96 S N -1.253 114.461 115.700 0.023 0.000 3.706 96 S HA -0.267 4.203 4.470 0.000 0.000 0.363 96 S C 0.612 175.227 174.600 0.025 0.000 0.999 96 S CA 1.708 59.922 58.200 0.024 0.000 1.143 96 S CB -1.598 61.622 63.200 0.034 0.000 0.902 96 S HN 0.563 nan 8.310 nan 0.000 0.476 97 T N 0.838 115.408 114.554 0.026 0.000 3.081 97 T HA 0.386 4.736 4.350 0.000 0.000 0.255 97 T C 0.501 175.232 174.700 0.052 0.000 1.113 97 T CA 0.918 63.042 62.100 0.040 0.000 1.082 97 T CB -0.261 68.632 68.868 0.042 0.000 0.939 97 T HN 0.737 nan 8.240 nan 0.000 0.506 98 M N 0.921 120.541 119.600 0.034 0.000 2.365 98 M HA 0.422 4.902 4.480 0.000 0.000 0.287 98 M C -2.305 174.004 176.300 0.015 0.000 1.154 98 M CA -0.708 54.611 55.300 0.032 0.000 0.941 98 M CB 1.997 34.611 32.600 0.024 0.000 1.704 98 M HN -0.131 nan 8.290 nan 0.000 0.479 99 I N 2.857 123.443 120.570 0.026 0.000 2.359 99 I HA 0.554 4.724 4.170 0.000 0.000 0.294 99 I C 0.782 176.937 176.117 0.063 0.000 0.987 99 I CA -0.348 60.971 61.300 0.032 0.000 1.225 99 I CB 2.048 40.076 38.000 0.046 0.000 1.366 99 I HN 1.004 nan 8.210 nan 0.000 0.466 100 G N 4.373 113.219 108.800 0.077 0.000 4.908 100 G HA2 0.017 3.977 3.960 0.000 0.000 0.267 100 G HA3 0.017 3.977 3.960 0.000 0.000 0.267 100 G C 0.710 175.629 174.900 0.033 0.000 0.958 100 G CA -0.214 44.908 45.100 0.037 0.000 0.743 100 G HN 0.796 nan 8.290 nan 0.000 0.410 101 H N -0.145 118.869 119.070 -0.095 0.000 2.548 101 H HA 0.074 4.631 4.556 0.000 0.000 0.265 101 H C 0.864 176.132 175.328 -0.101 0.000 0.969 101 H CA 0.315 56.294 56.048 -0.115 0.000 1.155 101 H CB -0.092 29.621 29.762 -0.082 0.000 1.394 101 H HN 0.292 nan 8.280 nan 0.000 0.570 102 N N 1.613 120.038 118.700 -0.458 0.000 2.681 102 N HA -0.105 4.635 4.740 0.000 0.000 0.259 102 N C -2.563 172.729 175.510 -0.362 0.000 1.066 102 N CA 0.490 53.334 53.050 -0.342 0.000 0.717 102 N CB -0.682 37.686 38.487 -0.198 0.000 0.885 102 N HN 0.392 nan 8.380 nan 0.000 0.547 103 P HA 0.075 nan 4.420 nan 0.000 0.274 103 P C 0.271 177.490 177.300 -0.134 0.000 1.237 103 P CA -0.143 62.795 63.100 -0.270 0.000 0.793 103 P CB 0.755 32.312 31.700 -0.238 0.000 0.977 104 K N -0.003 120.358 120.400 -0.065 0.000 2.217 104 K HA -0.007 4.314 4.320 0.000 0.000 0.202 104 K C 0.721 177.301 176.600 -0.033 0.000 1.051 104 K CA 1.381 57.645 56.287 -0.039 0.000 0.952 104 K CB -0.256 32.236 32.500 -0.013 0.000 0.736 104 K HN 0.574 nan 8.250 nan 0.000 0.453 105 T N 0.756 115.292 114.554 -0.030 0.000 3.393 105 T HA 0.223 4.573 4.350 0.000 0.000 0.255 105 T C -2.622 172.066 174.700 -0.020 0.000 1.008 105 T CA -1.584 60.504 62.100 -0.021 0.000 1.053 105 T CB 0.311 69.172 68.868 -0.012 0.000 1.120 105 T HN -0.072 nan 8.240 nan 0.000 0.538 106 P HA 0.258 nan 4.420 nan 0.000 0.270 106 P C 0.489 177.784 177.300 -0.009 0.000 1.221 106 P CA 0.230 63.315 63.100 -0.024 0.000 0.788 106 P CB 0.532 32.208 31.700 -0.040 0.000 0.904 107 G N -0.501 108.300 108.800 0.002 0.000 2.388 107 G HA2 0.547 4.507 3.960 0.000 0.000 0.330 107 G HA3 0.547 4.507 3.960 0.000 0.000 0.330 107 G C 0.272 175.176 174.900 0.008 0.000 1.142 107 G CA -0.015 45.090 45.100 0.008 0.000 0.908 107 G HN 0.789 nan 8.290 nan 0.000 0.473 108 G N 0.064 108.869 108.800 0.008 0.000 2.591 108 G HA2 0.392 4.352 3.960 0.000 0.000 0.278 108 G HA3 0.392 4.352 3.960 0.000 0.000 0.278 108 G C 0.248 175.150 174.900 0.002 0.000 1.293 108 G CA 0.495 45.599 45.100 0.008 0.000 0.930 108 G HN 2.399 nan 8.290 nan 0.000 0.562 109 A N -2.051 120.770 122.820 0.003 0.000 2.597 109 A HA 1.163 5.483 4.320 0.000 0.000 0.292 109 A C 0.597 178.181 177.584 0.000 0.000 1.057 109 A CA 1.143 53.179 52.037 -0.002 0.000 0.674 109 A CB 1.043 20.041 19.000 -0.004 0.000 1.278 109 A HN 3.250 nan 8.150 nan 0.000 0.416 110 G N -1.240 107.558 108.800 -0.003 0.000 2.347 110 G HA2 0.533 4.493 3.960 0.000 0.000 0.477 110 G HA3 0.533 4.493 3.960 0.000 0.000 0.477 110 G C -1.944 172.954 174.900 -0.004 0.000 1.349 110 G CA -0.204 44.895 45.100 -0.002 0.000 1.000 110 G HN 1.951 nan 8.290 nan 0.000 0.605 111 L N 0.751 121.971 121.223 -0.004 0.000 2.322 111 L HA 0.909 5.249 4.340 0.000 0.000 0.279 111 L C 0.672 177.544 176.870 0.002 0.000 1.036 111 L CA 0.298 55.133 54.840 -0.007 0.000 0.807 111 L CB 1.510 43.560 42.059 -0.015 0.000 1.226 111 L HN 1.583 nan 8.230 nan 0.000 0.433 112 G N 2.008 110.812 108.800 0.008 0.000 2.701 112 G HA2 0.599 4.559 3.960 0.000 0.000 0.300 112 G HA3 0.599 4.559 3.960 0.000 0.000 0.300 112 G C -1.377 173.547 174.900 0.039 0.000 1.410 112 G CA -0.402 44.711 45.100 0.021 0.000 1.014 112 G HN 0.559 nan 8.290 nan 0.000 0.509 113 T N 0.370 114.953 114.554 0.049 0.000 2.829 113 T HA 0.854 5.204 4.350 0.000 0.000 0.280 113 T C 0.327 175.069 174.700 0.070 0.000 0.999 113 T CA -0.159 61.998 62.100 0.094 0.000 0.983 113 T CB 1.933 70.866 68.868 0.108 0.000 0.968 113 T HN 1.147 nan 8.240 nan 0.000 0.446 114 G N 1.254 110.109 108.800 0.092 0.000 2.619 114 G HA2 0.636 4.596 3.960 0.000 0.000 0.305 114 G HA3 0.636 4.596 3.960 0.000 0.000 0.305 114 G C -1.843 173.104 174.900 0.078 0.000 1.330 114 G CA -0.815 44.316 45.100 0.053 0.000 0.789 114 G HN 0.641 nan 8.290 nan 0.000 0.487 115 I N 0.761 121.411 120.570 0.133 0.000 2.392 115 I HA 0.334 4.504 4.170 0.000 0.000 0.295 115 I C 0.881 177.118 176.117 0.200 0.000 0.985 115 I CA -0.599 60.818 61.300 0.195 0.000 1.221 115 I CB 2.106 40.305 38.000 0.331 0.000 1.366 115 I HN 0.481 nan 8.210 nan 0.000 0.467 116 T N 5.153 119.767 114.554 0.101 0.000 3.455 116 T HA 0.474 4.824 4.350 0.000 0.000 0.286 116 T C -0.047 174.661 174.700 0.013 0.000 1.157 116 T CA -0.515 61.619 62.100 0.056 0.000 1.090 116 T CB -1.049 67.840 68.868 0.036 0.000 1.112 116 T HN 0.476 nan 8.240 nan 0.000 0.779 117 I N -0.150 120.409 120.570 -0.018 0.000 2.822 117 I HA 0.757 4.927 4.170 0.000 0.000 0.312 117 I C 0.346 176.396 176.117 -0.112 0.000 1.011 117 I CA -1.093 60.139 61.300 -0.114 0.000 1.105 117 I CB 2.050 39.871 38.000 -0.299 0.000 1.291 117 I HN 0.401 nan 8.210 nan 0.000 0.474 118 T N -0.244 114.237 114.554 -0.121 0.000 2.862 118 T HA 0.475 4.825 4.350 0.000 0.000 0.276 118 T C -1.758 172.837 174.700 -0.174 0.000 0.974 118 T CA -1.674 60.354 62.100 -0.119 0.000 0.966 118 T CB 1.018 69.853 68.868 -0.054 0.000 1.072 118 T HN 0.591 nan 8.240 nan 0.000 0.538 119 P HA -0.003 nan 4.420 nan 0.000 0.226 119 P C 1.035 178.263 177.300 -0.119 0.000 1.153 119 P CA 0.866 63.817 63.100 -0.248 0.000 0.777 119 P CB 0.163 31.557 31.700 -0.510 0.000 0.794 120 Q N 0.350 120.125 119.800 -0.042 0.000 2.062 120 Q HA -0.051 4.289 4.340 0.000 0.000 0.196 120 Q C 2.144 178.097 176.000 -0.078 0.000 0.967 120 Q CA 1.069 56.862 55.803 -0.016 0.000 0.832 120 Q CB -0.753 28.003 28.738 0.030 0.000 0.899 120 Q HN 0.298 nan 8.270 nan 0.000 0.442 121 E N 0.249 120.383 120.200 -0.110 0.000 2.394 121 E HA -0.217 4.133 4.350 0.000 0.000 0.202 121 E C 1.446 177.908 176.600 -0.230 0.000 1.029 121 E CA 0.419 56.724 56.400 -0.158 0.000 0.855 121 E CB -0.072 29.509 29.700 -0.198 0.000 0.770 121 E HN 0.190 nan 8.360 nan 0.000 0.527 122 L N 0.331 121.404 121.223 -0.251 0.000 2.056 122 L HA -0.165 4.175 4.340 0.000 0.000 0.207 122 L C 2.170 178.886 176.870 -0.257 0.000 1.078 122 L CA 1.445 56.058 54.840 -0.379 0.000 0.749 122 L CB -0.372 41.479 42.059 -0.347 0.000 0.901 122 L HN 0.143 nan 8.230 nan 0.000 0.433 123 L N -1.379 119.780 121.223 -0.108 0.000 2.156 123 L HA -0.149 4.191 4.340 0.000 0.000 0.208 123 L C 2.365 179.257 176.870 0.036 0.000 1.095 123 L CA 1.572 56.410 54.840 -0.003 0.000 0.770 123 L CB -1.020 41.039 42.059 0.001 0.000 0.914 123 L HN 0.450 nan 8.230 nan 0.000 0.439 124 T N -2.771 111.780 114.554 -0.005 0.000 3.014 124 T HA -0.058 4.292 4.350 0.000 0.000 0.263 124 T C 1.168 175.888 174.700 0.034 0.000 1.078 124 T CA -0.052 62.054 62.100 0.010 0.000 1.135 124 T CB 0.083 68.941 68.868 -0.017 0.000 0.895 124 T HN 0.053 nan 8.240 nan 0.000 0.480 125 R N 2.494 123.007 120.500 0.022 0.000 2.500 125 R HA 0.491 4.831 4.340 0.000 0.000 0.277 125 R C -2.480 173.976 176.300 0.259 0.000 1.026 125 R CA -2.278 53.847 56.100 0.042 0.000 1.058 125 R CB 0.638 30.814 30.300 -0.207 0.000 1.078 125 R HN 0.156 nan 8.270 nan 0.000 0.509 126 P HA 0.038 nan 4.420 nan 0.000 0.270 126 P C -0.980 176.547 177.300 0.378 0.000 1.223 126 P CA 0.036 63.284 63.100 0.247 0.000 0.785 126 P CB 0.959 32.770 31.700 0.185 0.000 0.923 127 A N 1.176 124.005 122.820 0.016 0.000 2.507 127 A HA 0.087 4.407 4.320 0.000 0.000 0.270 127 A C 0.960 178.510 177.584 -0.056 0.000 1.318 127 A CA -0.041 51.852 52.037 -0.239 0.000 0.924 127 A CB -0.639 17.867 19.000 -0.823 0.000 1.061 127 A HN 0.627 nan 8.150 nan 0.000 0.516 128 D N -1.140 119.270 120.400 0.017 0.000 2.474 128 D HA 0.324 4.964 4.640 0.000 0.000 0.213 128 D C 0.464 176.719 176.300 -0.076 0.000 1.120 128 D CA 0.624 54.606 54.000 -0.030 0.000 0.836 128 D CB 0.173 40.961 40.800 -0.019 0.000 1.019 128 D HN 0.227 nan 8.370 nan 0.000 0.507 129 A N 1.779 124.509 122.820 -0.149 0.000 2.324 129 A HA 0.632 4.952 4.320 0.000 0.000 0.330 129 A C -2.725 174.380 177.584 -0.797 0.000 1.165 129 A CA -1.513 50.297 52.037 -0.378 0.000 0.813 129 A CB 1.433 20.248 19.000 -0.309 0.000 1.197 129 A HN -0.051 nan 8.150 nan 0.000 0.484 130 P HA 0.415 nan 4.420 nan 0.000 0.285 130 P C -1.499 175.498 177.300 -0.506 0.000 1.259 130 P CA 0.215 63.059 63.100 -0.428 0.000 0.794 130 P CB 0.442 32.041 31.700 -0.169 0.000 0.940 131 Y N 1.236 121.559 120.300 0.037 0.000 2.524 131 Y HA 0.512 5.063 4.550 0.000 0.000 0.344 131 Y C 0.673 176.575 175.900 0.004 0.000 1.012 131 Y CA -1.219 56.889 58.100 0.013 0.000 1.068 131 Y CB 1.898 40.352 38.460 -0.011 0.000 1.249 131 Y HN 0.119 nan 8.280 nan 0.000 0.468 132 I N 3.589 124.263 120.570 0.174 0.000 2.306 132 I HA 0.196 4.366 4.170 0.000 0.000 0.288 132 I C -0.461 175.688 176.117 0.053 0.000 1.036 132 I CA -0.260 61.096 61.300 0.092 0.000 1.221 132 I CB 0.701 38.749 38.000 0.080 0.000 1.385 132 I HN 0.404 nan 8.210 nan 0.000 0.472 133 L N 7.020 128.253 121.223 0.016 0.000 2.485 133 L HA 0.142 4.482 4.340 0.000 0.000 0.275 133 L C -0.144 176.693 176.870 -0.054 0.000 1.207 133 L CA 0.131 54.942 54.840 -0.049 0.000 0.855 133 L CB 0.800 42.811 42.059 -0.079 0.000 1.114 133 L HN 0.369 nan 8.230 nan 0.000 0.485 134 V N 5.600 125.462 119.914 -0.087 0.000 2.320 134 V HA 0.140 4.260 4.120 0.000 0.000 0.257 134 V C -0.071 175.959 176.094 -0.106 0.000 0.996 134 V CA -0.633 61.629 62.300 -0.063 0.000 0.928 134 V CB 1.064 32.871 31.823 -0.027 0.000 1.169 134 V HN 0.465 nan 8.190 nan 0.000 0.475 135 V N 2.867 122.688 119.914 -0.154 0.000 2.673 135 V HA 0.272 4.393 4.120 0.000 0.000 0.303 135 V C 0.953 177.052 176.094 0.008 0.000 1.046 135 V CA 0.330 62.499 62.300 -0.218 0.000 1.126 135 V CB 1.121 32.823 31.823 -0.201 0.000 0.934 135 V HN 0.880 nan 8.190 nan 0.000 0.487 136 S N 2.337 118.143 115.700 0.176 0.000 2.718 136 S HA 0.326 4.797 4.470 0.000 0.000 0.300 136 S C 1.263 176.020 174.600 0.262 0.000 1.117 136 S CA -0.037 58.288 58.200 0.207 0.000 1.002 136 S CB 1.557 64.875 63.200 0.197 0.000 1.092 136 S HN 1.036 nan 8.310 nan 0.000 0.542 137 S N 0.664 116.458 115.700 0.157 0.000 2.461 137 S HA -0.170 4.300 4.470 0.000 0.000 0.246 137 S C 1.946 176.615 174.600 0.115 0.000 1.007 137 S CA 0.919 59.195 58.200 0.127 0.000 0.976 137 S CB -1.323 61.924 63.200 0.078 0.000 0.763 137 S HN 1.190 nan 8.310 nan 0.000 0.508 138 A N 1.079 123.961 122.820 0.103 0.000 1.986 138 A HA 0.122 4.442 4.320 0.000 0.000 0.220 138 A C 0.721 178.183 177.584 -0.204 0.000 1.171 138 A CA 0.791 52.771 52.037 -0.095 0.000 0.640 138 A CB -0.719 18.145 19.000 -0.226 0.000 0.811 138 A HN 0.560 nan 8.150 nan 0.000 0.451 139 F N 0.064 120.022 119.950 0.012 0.000 2.397 139 F HA 0.303 4.830 4.527 0.000 0.000 0.331 139 F C 0.600 176.413 175.800 0.021 0.000 1.090 139 F CA -1.041 56.962 58.000 0.004 0.000 1.065 139 F CB 0.739 39.737 39.000 -0.002 0.000 1.184 139 F HN 0.094 nan 8.300 nan 0.000 0.499 140 D N 2.640 123.126 120.400 0.143 0.000 2.389 140 D HA -0.045 4.595 4.640 0.000 0.000 0.247 140 D C 1.102 177.424 176.300 0.037 0.000 1.128 140 D CA -0.249 53.795 54.000 0.075 0.000 0.884 140 D CB 0.826 41.591 40.800 -0.058 0.000 1.194 140 D HN 0.503 nan 8.370 nan 0.000 0.441 141 F N 3.161 123.158 119.950 0.080 0.000 2.154 141 F HA -0.120 4.407 4.527 0.000 0.000 0.301 141 F C 1.841 177.671 175.800 0.050 0.000 1.087 141 F CA 1.225 59.261 58.000 0.060 0.000 1.274 141 F CB -0.816 38.211 39.000 0.044 0.000 1.009 141 F HN 0.328 nan 8.300 nan 0.000 0.485 142 A N 0.531 122.521 122.820 -1.382 0.000 1.930 142 A HA -0.090 4.230 4.320 0.000 0.000 0.215 142 A C 2.013 179.383 177.584 -0.358 0.000 1.176 142 A CA 1.431 52.885 52.037 -0.973 0.000 0.632 142 A CB -0.908 17.413 19.000 -1.131 0.000 0.819 142 A HN 0.476 nan 8.150 nan 0.000 0.445 143 D N -0.152 120.086 120.400 -0.271 0.000 2.084 143 D HA -0.143 4.497 4.640 0.000 0.000 0.194 143 D C 1.727 177.997 176.300 -0.050 0.000 0.990 143 D CA 1.382 55.321 54.000 -0.100 0.000 0.826 143 D CB -0.343 40.444 40.800 -0.020 0.000 0.971 143 D HN 0.346 nan 8.370 nan 0.000 0.453 144 I N 1.260 121.813 120.570 -0.029 0.000 2.530 144 I HA -0.225 3.946 4.170 0.000 0.000 0.257 144 I C 2.127 178.220 176.117 -0.040 0.000 1.179 144 I CA 0.646 61.915 61.300 -0.051 0.000 1.440 144 I CB -0.170 37.788 38.000 -0.070 0.000 1.087 144 I HN -0.099 nan 8.210 nan 0.000 0.440 145 A N -1.286 121.518 122.820 -0.026 0.000 1.874 145 A HA -0.163 4.157 4.320 0.000 0.000 0.214 145 A C 2.454 180.032 177.584 -0.009 0.000 1.189 145 A CA 1.594 53.631 52.037 0.000 0.000 0.615 145 A CB -1.126 17.893 19.000 0.031 0.000 0.830 145 A HN 0.439 nan 8.150 nan 0.000 0.443 146 S N -0.232 115.452 115.700 -0.027 0.000 2.359 146 S HA -0.178 4.292 4.470 0.000 0.000 0.223 146 S C 1.941 176.535 174.600 -0.010 0.000 1.039 146 S CA 1.970 60.159 58.200 -0.018 0.000 1.042 146 S CB -0.740 62.442 63.200 -0.029 0.000 0.915 146 S HN 0.325 nan 8.310 nan 0.000 0.439 147 V N 2.464 122.367 119.914 -0.018 0.000 2.233 147 V HA -0.271 3.849 4.120 0.000 0.000 0.252 147 V C 2.381 178.464 176.094 -0.018 0.000 1.063 147 V CA 2.527 64.814 62.300 -0.022 0.000 1.032 147 V CB -0.773 31.022 31.823 -0.048 0.000 0.645 147 V HN 0.586 nan 8.190 nan 0.000 0.446 148 I N 0.081 120.638 120.570 -0.022 0.000 2.286 148 I HA -0.222 3.949 4.170 0.000 0.000 0.248 148 I C 2.238 178.365 176.117 0.016 0.000 1.115 148 I CA 1.548 62.843 61.300 -0.008 0.000 1.392 148 I CB -0.609 37.386 38.000 -0.008 0.000 1.065 148 I HN 0.422 nan 8.210 nan 0.000 0.418 149 N N 0.955 119.665 118.700 0.016 0.000 2.396 149 N HA -0.055 4.685 4.740 0.000 0.000 0.180 149 N C 1.821 177.349 175.510 0.031 0.000 1.028 149 N CA 1.238 54.302 53.050 0.024 0.000 0.893 149 N CB 0.141 38.640 38.487 0.020 0.000 0.967 149 N HN 0.363 nan 8.380 nan 0.000 0.440 150 A N 0.733 123.571 122.820 0.030 0.000 1.861 150 A HA 0.025 4.345 4.320 0.000 0.000 0.212 150 A C 2.432 180.060 177.584 0.073 0.000 1.199 150 A CA 0.959 53.021 52.037 0.042 0.000 0.613 150 A CB -0.579 18.441 19.000 0.034 0.000 0.846 150 A HN 0.161 nan 8.150 nan 0.000 0.446 151 S N 0.028 115.776 115.700 0.080 0.000 2.387 151 S HA -0.156 4.315 4.470 0.000 0.000 0.230 151 S C 1.833 176.546 174.600 0.189 0.000 1.035 151 S CA 1.570 59.867 58.200 0.161 0.000 1.014 151 S CB -0.407 62.831 63.200 0.063 0.000 0.836 151 S HN 0.458 nan 8.310 nan 0.000 0.466 152 L N 0.534 121.824 121.223 0.112 0.000 2.071 152 L HA 0.077 4.417 4.340 0.000 0.000 0.201 152 L C 2.646 179.556 176.870 0.067 0.000 1.076 152 L CA 0.959 55.855 54.840 0.092 0.000 0.755 152 L CB -0.264 41.833 42.059 0.063 0.000 0.915 152 L HN 0.175 nan 8.230 nan 0.000 0.445 153 R N -0.102 120.430 120.500 0.053 0.000 2.293 153 R HA -0.128 4.212 4.340 0.000 0.000 0.219 153 R C 1.750 178.074 176.300 0.039 0.000 1.091 153 R CA 0.991 57.114 56.100 0.038 0.000 1.004 153 R CB 0.045 30.364 30.300 0.031 0.000 0.865 153 R HN 0.396 nan 8.270 nan 0.000 0.469 154 A N -1.075 121.780 122.820 0.059 0.000 1.884 154 A HA 0.293 4.613 4.320 0.000 0.000 0.212 154 A C 1.699 179.299 177.584 0.028 0.000 1.265 154 A CA 1.088 53.157 52.037 0.054 0.000 0.626 154 A CB -0.106 18.951 19.000 0.094 0.000 0.943 154 A HN 0.469 nan 8.150 nan 0.000 0.466 155 G N -2.928 105.898 108.800 0.043 0.000 4.234 155 G HA2 0.240 4.201 3.960 0.000 0.000 0.206 155 G HA3 0.240 4.201 3.960 0.000 0.000 0.206 155 G C 0.007 174.908 174.900 0.002 0.000 1.204 155 G CA -0.018 45.064 45.100 -0.030 0.000 0.998 155 G HN 0.222 nan 8.290 nan 0.000 0.417 156 Y N 2.645 122.970 120.300 0.043 0.000 2.844 156 Y HA 0.231 4.781 4.550 0.000 0.000 0.350 156 Y C 0.989 176.915 175.900 0.043 0.000 1.277 156 Y CA 0.956 59.095 58.100 0.065 0.000 1.478 156 Y CB 0.456 38.976 38.460 0.100 0.000 1.346 156 Y HN 0.300 nan 8.280 nan 0.000 0.660 157 Q N 2.183 122.123 119.800 0.234 0.000 2.309 157 Q HA 0.494 4.834 4.340 0.000 0.000 0.270 157 Q C -1.780 174.282 176.000 0.103 0.000 1.023 157 Q CA -0.710 55.160 55.803 0.113 0.000 0.758 157 Q CB 1.335 30.093 28.738 0.034 0.000 1.247 157 Q HN 0.618 nan 8.270 nan 0.000 0.455 158 I N 2.496 123.121 120.570 0.093 0.000 2.339 158 I HA 0.223 4.393 4.170 0.000 0.000 0.290 158 I C 1.122 177.266 176.117 0.046 0.000 0.994 158 I CA -0.430 60.916 61.300 0.077 0.000 1.191 158 I CB 1.869 39.906 38.000 0.062 0.000 1.343 158 I HN 0.654 nan 8.210 nan 0.000 0.458 159 T N 1.278 115.854 114.554 0.038 0.000 3.129 159 T HA 0.515 4.865 4.350 0.000 0.000 0.251 159 T C 0.729 175.448 174.700 0.030 0.000 1.117 159 T CA 0.095 62.211 62.100 0.028 0.000 1.034 159 T CB -0.220 68.662 68.868 0.023 0.000 0.968 159 T HN 0.961 nan 8.240 nan 0.000 0.526 160 G N -0.104 108.716 108.800 0.034 0.000 2.350 160 G HA2 0.400 4.360 3.960 0.000 0.000 0.305 160 G HA3 0.400 4.360 3.960 0.000 0.000 0.305 160 G C -1.663 173.253 174.900 0.027 0.000 1.479 160 G CA -0.768 44.349 45.100 0.029 0.000 0.949 160 G HN 0.239 nan 8.290 nan 0.000 0.651 161 V N 0.525 120.451 119.914 0.020 0.000 3.019 161 V HA 0.818 4.938 4.120 0.000 0.000 0.317 161 V C 0.080 176.185 176.094 0.018 0.000 1.094 161 V CA -0.864 61.441 62.300 0.010 0.000 1.000 161 V CB 2.001 33.826 31.823 0.002 0.000 1.060 161 V HN 0.740 nan 8.190 nan 0.000 0.443 162 I N 3.129 123.704 120.570 0.009 0.000 2.534 162 I HA 0.372 4.542 4.170 0.000 0.000 0.286 162 I C -1.556 174.572 176.117 0.019 0.000 1.094 162 I CA -0.371 60.944 61.300 0.024 0.000 1.055 162 I CB 1.816 39.831 38.000 0.026 0.000 1.225 162 I HN 0.282 nan 8.210 nan 0.000 0.435 163 L N 4.917 126.165 121.223 0.041 0.000 2.322 163 L HA 0.410 4.750 4.340 0.000 0.000 0.269 163 L C 0.986 177.894 176.870 0.062 0.000 1.012 163 L CA 0.138 55.008 54.840 0.051 0.000 0.815 163 L CB 1.419 43.518 42.059 0.066 0.000 1.295 163 L HN 0.611 nan 8.230 nan 0.000 0.438 164 Q N 0.415 120.258 119.800 0.072 0.000 2.259 164 Q HA 0.164 4.504 4.340 0.000 0.000 0.201 164 Q C 0.338 176.384 176.000 0.077 0.000 0.938 164 Q CA 0.326 56.172 55.803 0.071 0.000 0.872 164 Q CB 0.480 29.266 28.738 0.081 0.000 0.971 164 Q HN 0.510 nan 8.270 nan 0.000 0.494 165 R N 1.119 121.671 120.500 0.088 0.000 2.726 165 R HA 0.020 4.360 4.340 0.000 0.000 0.272 165 R C -0.285 176.059 176.300 0.073 0.000 1.097 165 R CA 0.112 56.262 56.100 0.083 0.000 1.198 165 R CB 0.299 30.660 30.300 0.101 0.000 1.114 165 R HN 0.022 nan 8.270 nan 0.000 0.550 166 D N 0.424 120.857 120.400 0.056 0.000 2.896 166 D HA 0.047 4.687 4.640 0.000 0.000 0.240 166 D C -0.612 175.695 176.300 0.011 0.000 1.193 166 D CA 0.085 54.108 54.000 0.039 0.000 0.983 166 D CB 0.005 40.823 40.800 0.030 0.000 1.074 166 D HN 0.310 nan 8.370 nan 0.000 0.496 167 D N -0.048 120.370 120.400 0.029 0.000 2.469 167 D HA 0.132 4.772 4.640 0.000 0.000 0.215 167 D C 1.961 178.278 176.300 0.028 0.000 1.154 167 D CA -0.029 53.975 54.000 0.006 0.000 0.832 167 D CB 0.653 41.509 40.800 0.093 0.000 1.008 167 D HN 0.443 nan 8.370 nan 0.000 0.506 168 G N 1.109 109.929 108.800 0.032 0.000 2.529 168 G HA2 -0.275 3.685 3.960 0.000 0.000 0.219 168 G HA3 -0.275 3.685 3.960 0.000 0.000 0.219 168 G C 1.734 176.649 174.900 0.024 0.000 1.177 168 G CA 0.865 45.986 45.100 0.035 0.000 0.773 168 G HN 0.244 nan 8.290 nan 0.000 0.573 169 V N 1.022 120.937 119.914 0.002 0.000 2.287 169 V HA -0.172 3.948 4.120 0.000 0.000 0.248 169 V C 2.977 179.071 176.094 0.001 0.000 1.053 169 V CA 1.759 64.057 62.300 -0.003 0.000 1.027 169 V CB -0.532 31.280 31.823 -0.019 0.000 0.646 169 V HN 0.375 nan 8.190 nan 0.000 0.447 170 L N -0.529 120.676 121.223 -0.031 0.000 1.990 170 L HA -0.230 4.110 4.340 0.000 0.000 0.213 170 L C 2.463 179.403 176.870 0.116 0.000 1.072 170 L CA 1.584 56.398 54.840 -0.042 0.000 0.755 170 L CB -0.889 41.005 42.059 -0.274 0.000 0.889 170 L HN 0.196 nan 8.230 nan 0.000 0.432 171 V N -0.479 119.526 119.914 0.152 0.000 2.220 171 V HA -0.359 3.762 4.120 0.000 0.000 0.246 171 V C 2.733 178.882 176.094 0.091 0.000 1.049 171 V CA 2.168 64.559 62.300 0.152 0.000 1.003 171 V CB -0.887 31.005 31.823 0.115 0.000 0.634 171 V HN 0.657 nan 8.190 nan 0.000 0.444 172 S N 0.832 116.567 115.700 0.059 0.000 2.389 172 S HA -0.357 4.113 4.470 0.000 0.000 0.231 172 S C 1.863 176.488 174.600 0.042 0.000 1.052 172 S CA 2.348 60.572 58.200 0.041 0.000 1.053 172 S CB -0.824 62.392 63.200 0.027 0.000 0.886 172 S HN 0.651 nan 8.310 nan 0.000 0.456 173 N N 0.939 119.667 118.700 0.046 0.000 2.443 173 N HA 0.007 4.747 4.740 0.000 0.000 0.184 173 N C 1.655 177.199 175.510 0.056 0.000 1.037 173 N CA 0.850 53.926 53.050 0.043 0.000 0.896 173 N CB -0.255 38.255 38.487 0.038 0.000 0.959 173 N HN 0.597 nan 8.380 nan 0.000 0.442 174 R N -0.568 119.975 120.500 0.073 0.000 2.335 174 R HA 0.286 4.627 4.340 0.000 0.000 0.210 174 R C 0.365 176.694 176.300 0.049 0.000 0.892 174 R CA -0.177 55.966 56.100 0.071 0.000 1.048 174 R CB 0.572 30.933 30.300 0.102 0.000 1.067 174 R HN 0.045 nan 8.270 nan 0.000 0.524 175 L N 0.796 122.045 121.223 0.043 0.000 2.464 175 L HA 0.080 4.420 4.340 0.000 0.000 0.264 175 L C 1.170 178.057 176.870 0.028 0.000 1.199 175 L CA 0.204 55.064 54.840 0.033 0.000 0.818 175 L CB 0.738 42.815 42.059 0.030 0.000 1.102 175 L HN 0.113 nan 8.230 nan 0.000 0.473 176 E N 0.496 120.711 120.200 0.025 0.000 2.060 176 E HA -0.050 4.300 4.350 0.000 0.000 0.189 176 E C -0.185 176.427 176.600 0.020 0.000 0.974 176 E CA 0.996 57.409 56.400 0.022 0.000 0.808 176 E CB 0.294 30.007 29.700 0.022 0.000 0.768 176 E HN 0.339 nan 8.360 nan 0.000 0.453 177 K N 1.121 121.533 120.400 0.021 0.000 2.164 177 K HA 0.250 4.570 4.320 0.000 0.000 0.258 177 K C -2.553 174.058 176.600 0.019 0.000 0.951 177 K CA -2.410 53.888 56.287 0.018 0.000 0.844 177 K CB 1.183 33.694 32.500 0.018 0.000 1.099 177 K HN -0.101 nan 8.250 nan 0.000 0.435 178 P HA 0.187 nan 4.420 nan 0.000 0.276 178 P C -1.106 176.203 177.300 0.015 0.000 1.230 178 P CA -0.396 62.714 63.100 0.016 0.000 0.776 178 P CB 0.704 32.411 31.700 0.012 0.000 0.888 179 L N 4.985 126.218 121.223 0.017 0.000 2.422 179 L HA 0.488 4.828 4.340 0.000 0.000 0.264 179 L C -2.383 174.496 176.870 0.015 0.000 0.984 179 L CA -2.178 52.672 54.840 0.016 0.000 0.819 179 L CB 2.120 44.191 42.059 0.019 0.000 1.330 179 L HN 0.255 nan 8.230 nan 0.000 0.410 180 P HA 0.189 nan 4.420 nan 0.000 0.267 180 P C -0.896 176.414 177.300 0.017 0.000 1.205 180 P CA 0.325 63.431 63.100 0.011 0.000 0.765 180 P CB 0.526 32.231 31.700 0.008 0.000 0.828 181 I N 3.390 123.970 120.570 0.017 0.000 2.468 181 I HA 0.191 4.361 4.170 0.000 0.000 0.285 181 I C -0.173 175.960 176.117 0.027 0.000 1.039 181 I CA -1.171 60.143 61.300 0.024 0.000 1.074 181 I CB 2.372 40.389 38.000 0.028 0.000 1.228 181 I HN -0.020 nan 8.210 nan 0.000 0.436 182 V N 5.773 125.711 119.914 0.041 0.000 2.353 182 V HA 0.135 4.255 4.120 0.000 0.000 0.264 182 V C 0.008 176.161 176.094 0.097 0.000 1.049 182 V CA -0.501 61.837 62.300 0.064 0.000 0.896 182 V CB 0.669 32.549 31.823 0.096 0.000 1.025 182 V HN 0.754 nan 8.190 nan 0.000 0.475 183 D N 3.312 123.767 120.400 0.092 0.000 2.506 183 D HA 0.225 4.866 4.640 0.000 0.000 0.272 183 D C 0.433 176.851 176.300 0.196 0.000 1.214 183 D CA -0.766 53.299 54.000 0.109 0.000 1.067 183 D CB 0.436 41.279 40.800 0.072 0.000 1.117 183 D HN 0.559 nan 8.370 nan 0.000 0.578 184 E N -2.320 117.970 120.200 0.150 0.000 2.791 184 E HA -0.134 4.217 4.350 0.000 0.000 0.271 184 E C -0.556 176.100 176.600 0.093 0.000 1.044 184 E CA 0.201 56.700 56.400 0.164 0.000 0.814 184 E CB -1.840 27.987 29.700 0.211 0.000 1.400 184 E HN 0.254 nan 8.360 nan 0.000 0.423 185 V N 1.506 121.420 119.914 0.000 0.000 2.555 185 V HA 0.017 4.137 4.120 0.000 0.000 0.286 185 V C 1.249 177.311 176.094 -0.053 0.000 1.044 185 V CA 0.447 62.643 62.300 -0.173 0.000 1.026 185 V CB 1.242 33.010 31.823 -0.093 0.000 0.981 185 V HN 0.234 nan 8.190 nan 0.000 0.480 186 L N 5.631 126.817 121.223 -0.061 0.000 2.194 186 L HA 0.221 4.561 4.340 0.000 0.000 0.197 186 L C 1.070 178.082 176.870 0.237 0.000 1.106 186 L CA 1.216 56.107 54.840 0.085 0.000 0.785 186 L CB -0.446 41.660 42.059 0.078 0.000 0.960 186 L HN 0.537 nan 8.230 nan 0.000 0.465 187 Y N 1.628 121.904 120.300 -0.039 0.000 2.758 187 Y HA 0.069 4.619 4.550 0.000 0.000 0.351 187 Y C 1.641 177.528 175.900 -0.022 0.000 1.214 187 Y CA -0.570 57.516 58.100 -0.023 0.000 1.983 187 Y CB -1.430 37.016 38.460 -0.023 0.000 2.062 187 Y HN 0.305 nan 8.280 nan 0.000 0.416 188 I N 1.294 121.939 120.570 0.125 0.000 2.208 188 I HA -0.313 3.858 4.170 0.000 0.000 0.245 188 I C 1.725 177.879 176.117 0.062 0.000 1.097 188 I CA 2.017 63.361 61.300 0.073 0.000 1.363 188 I CB -0.235 37.805 38.000 0.067 0.000 1.051 188 I HN 0.471 nan 8.210 nan 0.000 0.413 189 D N -0.503 119.932 120.400 0.058 0.000 2.183 189 D HA -0.156 4.484 4.640 0.000 0.000 0.203 189 D C 1.819 178.144 176.300 0.042 0.000 0.969 189 D CA 0.622 54.646 54.000 0.040 0.000 0.842 189 D CB -0.582 40.232 40.800 0.024 0.000 0.957 189 D HN 0.247 nan 8.370 nan 0.000 0.484 190 R N 0.568 121.106 120.500 0.064 0.000 2.355 190 R HA 0.012 4.352 4.340 0.000 0.000 0.219 190 R C 0.374 176.705 176.300 0.052 0.000 1.107 190 R CA 0.215 56.356 56.100 0.069 0.000 1.021 190 R CB -0.857 29.520 30.300 0.128 0.000 0.852 190 R HN 0.402 nan 8.270 nan 0.000 0.475 191 I N 4.768 125.364 120.570 0.044 0.000 2.581 191 I HA 0.013 4.183 4.170 0.000 0.000 0.285 191 I C -1.751 174.381 176.117 0.025 0.000 1.129 191 I CA -1.620 59.700 61.300 0.033 0.000 1.397 191 I CB 0.375 38.392 38.000 0.029 0.000 1.399 191 I HN -0.256 nan 8.210 nan 0.000 0.537 192 P HA 0.096 nan 4.420 nan 0.000 0.266 192 P C -0.465 176.841 177.300 0.011 0.000 1.215 192 P CA 0.255 63.364 63.100 0.014 0.000 0.763 192 P CB 0.563 32.269 31.700 0.011 0.000 0.806 193 L N 1.734 122.961 121.223 0.006 0.000 2.431 193 L HA 0.467 4.807 4.340 0.000 0.000 0.260 193 L C 1.800 178.671 176.870 0.001 0.000 1.098 193 L CA -0.257 54.584 54.840 0.002 0.000 0.800 193 L CB 0.023 42.078 42.059 -0.006 0.000 1.210 193 L HN 0.652 nan 8.230 nan 0.000 0.465 194 G N 0.519 109.322 108.800 0.004 0.000 2.196 194 G HA2 -0.259 3.701 3.960 0.000 0.000 0.268 194 G HA3 -0.259 3.701 3.960 0.000 0.000 0.268 194 G C 0.248 175.158 174.900 0.017 0.000 0.975 194 G CA 0.352 45.460 45.100 0.014 0.000 0.648 194 G HN 0.393 nan 8.290 nan 0.000 0.538 195 M N -0.336 119.268 119.600 0.005 0.000 2.494 195 M HA 0.503 4.984 4.480 0.000 0.000 0.300 195 M C 0.680 176.958 176.300 -0.037 0.000 1.189 195 M CA -0.791 54.493 55.300 -0.028 0.000 0.982 195 M CB 1.428 34.004 32.600 -0.040 0.000 1.534 195 M HN 0.031 nan 8.290 nan 0.000 0.488 196 L N 1.425 122.572 121.223 -0.126 0.000 2.349 196 L HA 0.571 4.911 4.340 0.000 0.000 0.275 196 L C -0.468 176.306 176.870 -0.161 0.000 1.115 196 L CA -0.101 54.635 54.840 -0.173 0.000 0.820 196 L CB 0.968 42.812 42.059 -0.360 0.000 1.135 196 L HN 0.889 nan 8.230 nan 0.000 0.445 197 A N 3.956 126.824 122.820 0.079 0.000 2.587 197 A HA 0.877 5.197 4.320 0.000 0.000 0.293 197 A C -1.387 176.420 177.584 0.372 0.000 1.087 197 A CA -0.297 51.915 52.037 0.292 0.000 0.692 197 A CB 1.769 20.866 19.000 0.160 0.000 1.291 197 A HN 0.812 nan 8.150 nan 0.000 0.407 198 A N 0.437 123.453 122.820 0.325 0.000 2.380 198 A HA 0.842 5.163 4.320 0.000 0.000 0.315 198 A C -0.863 176.754 177.584 0.055 0.000 1.101 198 A CA -0.408 51.695 52.037 0.111 0.000 0.771 198 A CB 1.061 20.008 19.000 -0.088 0.000 1.287 198 A HN 1.876 nan 8.150 nan 0.000 0.436 199 I N 1.075 121.662 120.570 0.029 0.000 2.531 199 I HA 0.445 4.615 4.170 0.000 0.000 0.283 199 I C -0.935 175.183 176.117 0.003 0.000 1.083 199 I CA -0.056 61.257 61.300 0.022 0.000 1.071 199 I CB 1.159 39.181 38.000 0.037 0.000 1.210 199 I HN 0.841 nan 8.210 nan 0.000 0.450 200 E N 6.127 126.320 120.200 -0.012 0.000 2.179 200 E HA 0.662 5.012 4.350 0.000 0.000 0.275 200 E C -1.794 174.795 176.600 -0.019 0.000 0.945 200 E CA -0.715 55.674 56.400 -0.020 0.000 0.792 200 E CB 2.255 31.935 29.700 -0.034 0.000 1.125 200 E HN 0.479 nan 8.360 nan 0.000 0.397 201 V N 3.353 123.257 119.914 -0.017 0.000 2.532 201 V HA 0.482 4.602 4.120 0.000 0.000 0.294 201 V C -0.325 175.758 176.094 -0.019 0.000 1.036 201 V CA -0.664 61.624 62.300 -0.020 0.000 0.876 201 V CB 1.359 33.175 31.823 -0.013 0.000 1.012 201 V HN 0.850 nan 8.190 nan 0.000 0.432 202 A N 4.469 127.275 122.820 -0.024 0.000 2.322 202 A HA 0.754 5.075 4.320 0.000 0.000 0.269 202 A C 0.313 177.886 177.584 -0.018 0.000 1.094 202 A CA -0.359 51.666 52.037 -0.020 0.000 0.807 202 A CB 0.939 19.925 19.000 -0.024 0.000 1.047 202 A HN 1.458 nan 8.150 nan 0.000 0.487 203 V N -0.036 119.870 119.914 -0.013 0.000 2.901 203 V HA 0.240 4.361 4.120 0.000 0.000 0.307 203 V C -2.156 173.930 176.094 -0.013 0.000 1.084 203 V CA -1.475 60.818 62.300 -0.011 0.000 1.184 203 V CB -0.563 31.255 31.823 -0.007 0.000 0.941 203 V HN 0.791 nan 8.190 nan 0.000 0.493 204 P HA 0.269 nan 4.420 nan 0.000 0.265 204 P C 0.938 178.232 177.300 -0.010 0.000 1.193 204 P CA 1.443 64.535 63.100 -0.012 0.000 0.765 204 P CB 0.896 32.590 31.700 -0.010 0.000 0.823 205 G N 2.628 111.421 108.800 -0.012 0.000 2.611 205 G HA2 -0.182 3.778 3.960 0.000 0.000 0.208 205 G HA3 -0.182 3.778 3.960 0.000 0.000 0.208 205 G C 0.282 175.175 174.900 -0.012 0.000 1.201 205 G CA -0.231 44.863 45.100 -0.010 0.000 0.739 205 G HN 0.576 nan 8.290 nan 0.000 0.528 206 K N 0.736 121.128 120.400 -0.013 0.000 2.627 206 K HA 0.738 5.058 4.320 0.000 0.000 0.269 206 K C 0.423 177.011 176.600 -0.020 0.000 1.029 206 K CA 0.293 56.571 56.287 -0.015 0.000 1.026 206 K CB 0.959 33.451 32.500 -0.013 0.000 1.350 206 K HN 1.248 nan 8.250 nan 0.000 0.506 207 V N -2.475 117.426 119.914 -0.022 0.000 3.114 207 V HA 0.456 4.577 4.120 0.000 0.000 0.308 207 V C 0.101 176.178 176.094 -0.028 0.000 1.168 207 V CA -1.452 60.832 62.300 -0.028 0.000 1.015 207 V CB 1.350 33.157 31.823 -0.027 0.000 1.050 207 V HN 0.740 nan 8.190 nan 0.000 0.433 208 I N -0.495 120.055 120.570 -0.034 0.000 2.710 208 I HA 0.364 4.534 4.170 0.000 0.000 0.286 208 I C 0.467 176.564 176.117 -0.033 0.000 1.181 208 I CA 0.493 61.773 61.300 -0.035 0.000 1.430 208 I CB 0.534 38.509 38.000 -0.041 0.000 1.367 208 I HN 0.864 nan 8.210 nan 0.000 0.577 209 E N 2.842 123.024 120.200 -0.030 0.000 2.539 209 E HA 0.042 4.392 4.350 0.000 0.000 0.215 209 E C 0.921 177.503 176.600 -0.030 0.000 0.965 209 E CA 0.197 56.581 56.400 -0.026 0.000 1.019 209 E CB 0.799 30.488 29.700 -0.018 0.000 1.059 209 E HN 0.873 nan 8.360 nan 0.000 0.496 210 T N 0.783 115.313 114.554 -0.039 0.000 2.988 210 T HA 0.108 4.458 4.350 0.000 0.000 0.240 210 T C 1.770 176.427 174.700 -0.072 0.000 1.014 210 T CA 0.303 62.374 62.100 -0.048 0.000 1.155 210 T CB 0.120 68.957 68.868 -0.052 0.000 0.872 210 T HN 0.028 nan 8.240 nan 0.000 0.440 211 L N 2.228 123.401 121.223 -0.082 0.000 2.552 211 L HA 0.110 4.450 4.340 0.000 0.000 0.227 211 L C 2.281 179.096 176.870 -0.091 0.000 1.146 211 L CA 0.644 55.420 54.840 -0.106 0.000 0.858 211 L CB -0.585 41.416 42.059 -0.098 0.000 0.969 211 L HN 0.332 nan 8.230 nan 0.000 0.451 212 S N -2.015 113.641 115.700 -0.074 0.000 2.535 212 S HA 0.025 4.495 4.470 0.000 0.000 0.214 212 S C 0.697 175.250 174.600 -0.077 0.000 0.980 212 S CA -0.392 57.766 58.200 -0.069 0.000 0.907 212 S CB -0.311 62.855 63.200 -0.056 0.000 0.790 212 S HN 0.347 nan 8.310 nan 0.000 0.510 213 N N 3.028 121.681 118.700 -0.078 0.000 2.437 213 N HA 0.380 5.120 4.740 0.000 0.000 0.259 213 N C -1.576 173.853 175.510 -0.135 0.000 0.983 213 N CA -2.447 50.550 53.050 -0.089 0.000 0.937 213 N CB 1.576 40.046 38.487 -0.028 0.000 1.122 213 N HN -0.100 nan 8.380 nan 0.000 0.499 214 P HA -0.229 nan 4.420 nan 0.000 0.216 214 P C 0.717 177.907 177.300 -0.184 0.000 1.157 214 P CA 1.720 64.659 63.100 -0.268 0.000 0.880 214 P CB -0.089 31.357 31.700 -0.425 0.000 0.791 215 Y N -0.259 120.020 120.300 -0.034 0.000 2.483 215 Y HA -0.052 4.498 4.550 0.000 0.000 0.291 215 Y C 2.849 178.720 175.900 -0.047 0.000 1.143 215 Y CA 0.396 58.478 58.100 -0.031 0.000 1.289 215 Y CB -1.096 37.351 38.460 -0.022 0.000 0.983 215 Y HN 0.027 nan 8.280 nan 0.000 0.556 216 G N 0.617 109.449 108.800 0.053 0.000 2.404 216 G HA2 -0.198 3.762 3.960 0.000 0.000 0.215 216 G HA3 -0.198 3.762 3.960 0.000 0.000 0.215 216 G C 1.577 176.421 174.900 -0.093 0.000 1.174 216 G CA 0.928 46.017 45.100 -0.017 0.000 0.780 216 G HN 0.333 nan 8.290 nan 0.000 0.537 217 I N 1.585 122.067 120.570 -0.147 0.000 2.099 217 I HA -0.264 3.906 4.170 0.000 0.000 0.239 217 I C 3.370 179.398 176.117 -0.148 0.000 1.066 217 I CA 1.191 62.324 61.300 -0.279 0.000 1.324 217 I CB -0.499 37.363 38.000 -0.231 0.000 1.037 217 I HN 0.256 nan 8.210 nan 0.000 0.401 218 A N 0.407 123.225 122.820 -0.003 0.000 1.954 218 A HA -0.317 4.003 4.320 0.000 0.000 0.222 218 A C 2.340 179.970 177.584 0.078 0.000 1.199 218 A CA 2.961 55.050 52.037 0.086 0.000 0.657 218 A CB -1.346 17.749 19.000 0.159 0.000 0.823 218 A HN 0.496 nan 8.150 nan 0.000 0.463 219 T N -0.437 114.142 114.554 0.041 0.000 2.701 219 T HA -0.089 4.261 4.350 0.000 0.000 0.263 219 T C 1.945 176.669 174.700 0.041 0.000 1.040 219 T CA 1.980 64.100 62.100 0.034 0.000 1.147 219 T CB -0.727 68.150 68.868 0.016 0.000 0.865 219 T HN 0.764 nan 8.240 nan 0.000 0.426 220 V N -1.450 118.449 119.914 -0.024 0.000 3.078 220 V HA 0.173 4.293 4.120 0.000 0.000 0.265 220 V C 1.451 177.753 176.094 0.347 0.000 1.122 220 V CA 1.348 63.661 62.300 0.022 0.000 1.141 220 V CB -1.012 30.694 31.823 -0.195 0.000 0.735 220 V HN 0.572 nan 8.190 nan 0.000 0.498 221 F N -0.231 119.729 119.950 0.017 0.000 2.798 221 F HA 0.391 4.919 4.527 0.000 0.000 0.328 221 F C 1.379 177.189 175.800 0.016 0.000 1.098 221 F CA -0.053 57.956 58.000 0.015 0.000 1.172 221 F CB 0.276 39.286 39.000 0.016 0.000 1.072 221 F HN 0.189 nan 8.300 nan 0.000 0.555 222 N N 1.936 120.753 118.700 0.195 0.000 2.678 222 N HA -0.221 4.519 4.740 0.000 0.000 0.250 222 N C 0.034 175.608 175.510 0.107 0.000 1.136 222 N CA 0.107 53.225 53.050 0.113 0.000 0.757 222 N CB -0.764 37.769 38.487 0.076 0.000 1.135 222 N HN 0.239 nan 8.380 nan 0.000 0.565 223 L N 1.593 122.906 121.223 0.148 0.000 2.714 223 L HA -0.118 4.223 4.340 0.000 0.000 0.301 223 L C 1.256 178.177 176.870 0.085 0.000 1.248 223 L CA 1.050 55.964 54.840 0.123 0.000 0.885 223 L CB -0.096 42.046 42.059 0.139 0.000 1.143 223 L HN 0.320 nan 8.230 nan 0.000 0.500 224 S N 3.602 119.341 115.700 0.066 0.000 2.533 224 S HA 0.146 4.616 4.470 0.000 0.000 0.282 224 S C -1.559 173.076 174.600 0.057 0.000 1.304 224 S CA -1.211 57.020 58.200 0.051 0.000 1.063 224 S CB 1.192 64.415 63.200 0.038 0.000 0.881 224 S HN 0.438 nan 8.310 nan 0.000 0.493 225 P HA -0.140 nan 4.420 nan 0.000 0.220 225 P C 1.157 178.491 177.300 0.056 0.000 1.142 225 P CA 1.112 64.249 63.100 0.062 0.000 0.801 225 P CB 0.147 31.875 31.700 0.047 0.000 0.764 226 E N -0.003 120.224 120.200 0.044 0.000 2.102 226 E HA -0.120 4.230 4.350 0.000 0.000 0.190 226 E C 1.881 178.503 176.600 0.037 0.000 0.971 226 E CA 1.050 57.472 56.400 0.037 0.000 0.821 226 E CB -0.462 29.255 29.700 0.028 0.000 0.777 226 E HN 0.391 nan 8.360 nan 0.000 0.460 227 E N -0.856 119.369 120.200 0.042 0.000 2.285 227 E HA -0.062 4.288 4.350 0.000 0.000 0.194 227 E C 1.609 178.239 176.600 0.050 0.000 0.997 227 E CA 1.242 57.668 56.400 0.043 0.000 0.845 227 E CB -0.312 29.416 29.700 0.046 0.000 0.782 227 E HN 0.005 nan 8.360 nan 0.000 0.491 228 T N 1.808 116.398 114.554 0.059 0.000 2.720 228 T HA -0.205 4.145 4.350 0.000 0.000 0.268 228 T C 1.658 176.371 174.700 0.021 0.000 1.037 228 T CA 1.671 63.804 62.100 0.055 0.000 1.144 228 T CB -0.231 68.694 68.868 0.093 0.000 0.864 228 T HN 0.233 nan 8.240 nan 0.000 0.444 229 K N 0.886 121.302 120.400 0.028 0.000 2.442 229 K HA -0.139 4.181 4.320 0.000 0.000 0.200 229 K C 1.456 178.055 176.600 -0.001 0.000 1.045 229 K CA 1.063 57.357 56.287 0.011 0.000 0.937 229 K CB -0.001 32.512 32.500 0.021 0.000 0.757 229 K HN 0.252 nan 8.250 nan 0.000 0.474 230 N N 0.478 119.182 118.700 0.007 0.000 2.414 230 N HA 0.004 4.744 4.740 0.000 0.000 0.177 230 N C 1.701 177.212 175.510 0.000 0.000 1.062 230 N CA 0.792 53.846 53.050 0.006 0.000 0.890 230 N CB 0.089 38.586 38.487 0.018 0.000 1.070 230 N HN 0.355 nan 8.380 nan 0.000 0.454 231 I N -1.312 119.258 120.570 -0.001 0.000 2.756 231 I HA -0.059 4.111 4.170 0.000 0.000 0.262 231 I C 1.776 177.868 176.117 -0.042 0.000 1.225 231 I CA 0.382 61.676 61.300 -0.009 0.000 1.472 231 I CB -0.547 37.450 38.000 -0.005 0.000 1.094 231 I HN -0.259 nan 8.210 nan 0.000 0.454 232 V N 2.618 122.498 119.914 -0.058 0.000 2.222 232 V HA -0.219 3.901 4.120 0.000 0.000 0.252 232 V C 0.027 176.087 176.094 -0.057 0.000 1.060 232 V CA 2.590 64.844 62.300 -0.078 0.000 1.027 232 V CB -2.096 29.682 31.823 -0.075 0.000 0.644 232 V HN 0.399 nan 8.190 nan 0.000 0.448 233 P HA -0.137 nan 4.420 nan 0.000 0.229 233 P C 1.541 178.823 177.300 -0.029 0.000 1.150 233 P CA 1.430 64.512 63.100 -0.030 0.000 0.765 233 P CB -0.045 31.644 31.700 -0.019 0.000 0.783 234 M N -1.547 118.034 119.600 -0.031 0.000 2.556 234 M HA 0.088 4.568 4.480 0.000 0.000 0.264 234 M C 1.870 178.144 176.300 -0.043 0.000 1.163 234 M CA 0.994 56.277 55.300 -0.028 0.000 1.186 234 M CB -0.197 32.396 32.600 -0.013 0.000 1.321 234 M HN -0.090 nan 8.290 nan 0.000 0.485 235 A N 1.170 123.955 122.820 -0.059 0.000 1.883 235 A HA -0.261 4.059 4.320 0.000 0.000 0.217 235 A C 2.027 179.572 177.584 -0.065 0.000 1.186 235 A CA 2.268 54.261 52.037 -0.074 0.000 0.624 235 A CB -0.825 18.114 19.000 -0.100 0.000 0.822 235 A HN 0.588 nan 8.150 nan 0.000 0.444 236 R N 0.209 120.672 120.500 -0.061 0.000 2.115 236 R HA -0.178 4.162 4.340 0.000 0.000 0.239 236 R C 2.140 178.412 176.300 -0.047 0.000 1.133 236 R CA 2.470 58.539 56.100 -0.052 0.000 0.935 236 R CB -0.986 29.288 30.300 -0.044 0.000 0.853 236 R HN 0.412 nan 8.270 nan 0.000 0.433 237 A N 0.284 123.078 122.820 -0.044 0.000 2.024 237 A HA -0.109 4.211 4.320 0.000 0.000 0.220 237 A C 2.241 179.792 177.584 -0.056 0.000 1.164 237 A CA 1.573 53.582 52.037 -0.047 0.000 0.643 237 A CB -0.550 18.424 19.000 -0.043 0.000 0.806 237 A HN 0.424 nan 8.150 nan 0.000 0.451 238 L N -0.391 120.800 121.223 -0.054 0.000 2.554 238 L HA 0.137 4.477 4.340 0.000 0.000 0.226 238 L C 0.309 177.144 176.870 -0.057 0.000 1.137 238 L CA -0.191 54.615 54.840 -0.057 0.000 0.863 238 L CB -0.281 41.745 42.059 -0.055 0.000 0.985 238 L HN 0.320 nan 8.230 nan 0.000 0.451 239 I N 0.478 121.016 120.570 -0.053 0.000 2.752 239 I HA -0.074 4.096 4.170 0.000 0.000 0.289 239 I C 1.427 177.516 176.117 -0.047 0.000 1.197 239 I CA 1.120 62.392 61.300 -0.047 0.000 1.432 239 I CB 0.394 38.369 38.000 -0.042 0.000 1.359 239 I HN 0.354 nan 8.210 nan 0.000 0.571 240 G N 4.232 113.006 108.800 -0.043 0.000 2.175 240 G HA2 -0.236 3.724 3.960 0.000 0.000 0.244 240 G HA3 -0.236 3.724 3.960 0.000 0.000 0.244 240 G C 0.252 175.122 174.900 -0.049 0.000 0.982 240 G CA -0.470 44.605 45.100 -0.040 0.000 0.641 240 G HN 0.626 nan 8.290 nan 0.000 0.527 241 N N -0.403 118.263 118.700 -0.057 0.000 2.445 241 N HA 0.352 5.092 4.740 0.000 0.000 0.264 241 N C 1.247 176.721 175.510 -0.059 0.000 1.227 241 N CA -0.367 52.642 53.050 -0.068 0.000 0.963 241 N CB 0.650 39.092 38.487 -0.076 0.000 1.188 241 N HN 0.169 nan 8.380 nan 0.000 0.491 242 R N -0.342 120.117 120.500 -0.068 0.000 2.223 242 R HA 0.095 4.435 4.340 0.000 0.000 0.198 242 R C -0.159 176.106 176.300 -0.059 0.000 0.984 242 R CA 0.481 56.546 56.100 -0.058 0.000 1.018 242 R CB 0.298 30.563 30.300 -0.059 0.000 0.945 242 R HN 0.557 nan 8.270 nan 0.000 0.479 243 S N -0.929 114.726 115.700 -0.075 0.000 2.533 243 S HA 0.756 5.226 4.470 0.000 0.000 0.271 243 S C -1.299 173.265 174.600 -0.060 0.000 1.143 243 S CA -0.952 57.209 58.200 -0.065 0.000 0.891 243 S CB 2.391 65.542 63.200 -0.082 0.000 1.105 243 S HN 0.179 nan 8.310 nan 0.000 0.468 244 A N 1.280 124.083 122.820 -0.029 0.000 2.604 244 A HA 0.819 5.139 4.320 0.000 0.000 0.295 244 A C -1.601 175.989 177.584 0.010 0.000 1.067 244 A CA -0.788 51.243 52.037 -0.010 0.000 0.683 244 A CB 1.338 20.320 19.000 -0.030 0.000 1.281 244 A HN 0.997 nan 8.150 nan 0.000 0.407 245 V N 0.872 120.805 119.914 0.032 0.000 2.656 245 V HA 0.713 4.833 4.120 0.000 0.000 0.307 245 V C -0.716 175.405 176.094 0.046 0.000 1.051 245 V CA -0.625 61.700 62.300 0.042 0.000 0.893 245 V CB 1.739 33.598 31.823 0.060 0.000 0.999 245 V HN 0.830 nan 8.190 nan 0.000 0.426 246 V N 4.920 124.873 119.914 0.064 0.000 2.577 246 V HA 0.565 4.685 4.120 0.000 0.000 0.303 246 V C -0.688 175.565 176.094 0.265 0.000 1.042 246 V CA -0.407 61.957 62.300 0.106 0.000 0.872 246 V CB 2.416 34.242 31.823 0.006 0.000 0.998 246 V HN 0.643 nan 8.190 nan 0.000 0.423 247 V N 5.508 125.564 119.914 0.238 0.000 2.459 247 V HA 0.449 4.569 4.120 0.000 0.000 0.295 247 V C 0.141 176.326 176.094 0.152 0.000 1.029 247 V CA -1.009 61.410 62.300 0.197 0.000 0.874 247 V CB 1.813 33.688 31.823 0.087 0.000 0.985 247 V HN 0.800 nan 8.190 nan 0.000 0.438 248 K N 3.124 123.442 120.400 -0.137 0.000 2.368 248 K HA 0.526 4.846 4.320 0.000 0.000 0.282 248 K C -0.099 176.415 176.600 -0.143 0.000 1.035 248 K CA 0.077 56.169 56.287 -0.325 0.000 0.973 248 K CB 0.751 32.741 32.500 -0.851 0.000 0.957 248 K HN 1.017 nan 8.250 nan 0.000 0.474 249 T N 1.222 115.732 114.554 -0.073 0.000 2.840 249 T HA 0.282 4.632 4.350 0.000 0.000 0.317 249 T C -2.196 172.489 174.700 -0.026 0.000 1.401 249 T CA -1.523 60.553 62.100 -0.039 0.000 1.028 249 T CB 1.319 70.183 68.868 -0.008 0.000 1.317 249 T HN 0.329 nan 8.240 nan 0.000 0.495 250 P HA -0.131 nan 4.420 nan 0.000 0.216 250 P C 0.706 178.004 177.300 -0.003 0.000 0.860 250 P CA 1.177 64.270 63.100 -0.012 0.000 1.042 250 P CB -0.115 31.581 31.700 -0.006 0.000 0.716 251 S N -1.483 114.219 115.700 0.003 0.000 2.474 251 S HA 0.429 4.899 4.470 0.000 0.000 0.224 251 S C 0.347 174.955 174.600 0.013 0.000 1.209 251 S CA -0.300 57.905 58.200 0.010 0.000 1.212 251 S CB 0.230 63.436 63.200 0.009 0.000 1.137 251 S HN 0.381 nan 8.310 nan 0.000 0.446 252 G N 1.030 109.840 108.800 0.016 0.000 2.634 252 G HA2 0.534 4.494 3.960 0.000 0.000 0.255 252 G HA3 0.534 4.494 3.960 0.000 0.000 0.255 252 G C -0.546 174.369 174.900 0.025 0.000 1.205 252 G CA 0.073 45.185 45.100 0.020 0.000 0.884 252 G HN 0.435 nan 8.290 nan 0.000 0.549 253 D N -2.175 118.238 120.400 0.022 0.000 2.926 253 D HA 0.251 4.891 4.640 0.000 0.000 0.272 253 D C -1.333 174.974 176.300 0.013 0.000 1.172 253 D CA -0.533 53.478 54.000 0.020 0.000 0.731 253 D CB 1.024 41.834 40.800 0.017 0.000 1.282 253 D HN 0.409 nan 8.370 nan 0.000 0.430 254 V N 2.186 122.105 119.914 0.008 0.000 2.417 254 V HA 0.658 4.778 4.120 0.000 0.000 0.291 254 V C -0.386 175.708 176.094 -0.000 0.000 1.024 254 V CA -0.486 61.815 62.300 0.001 0.000 0.861 254 V CB 1.293 33.113 31.823 -0.005 0.000 0.985 254 V HN 0.616 nan 8.190 nan 0.000 0.436 255 K N 3.524 123.925 120.400 0.001 0.000 2.498 255 K HA 0.909 5.229 4.320 0.000 0.000 0.254 255 K C -1.194 175.407 176.600 0.002 0.000 0.933 255 K CA -0.639 55.649 56.287 0.001 0.000 0.806 255 K CB 2.918 35.419 32.500 0.003 0.000 1.301 255 K HN 0.663 nan 8.250 nan 0.000 0.432 256 A N 2.362 125.183 122.820 0.002 0.000 2.380 256 A HA 0.912 5.232 4.320 0.000 0.000 0.315 256 A C -0.875 176.711 177.584 0.004 0.000 1.101 256 A CA -0.674 51.366 52.037 0.004 0.000 0.771 256 A CB 1.282 20.285 19.000 0.005 0.000 1.287 256 A HN 0.983 nan 8.150 nan 0.000 0.436 257 R N 0.066 120.570 120.500 0.006 0.000 2.774 257 R HA 0.672 5.012 4.340 0.000 0.000 0.279 257 R C -0.770 175.533 176.300 0.006 0.000 1.022 257 R CA 0.029 56.132 56.100 0.005 0.000 0.855 257 R CB 0.306 30.609 30.300 0.005 0.000 1.279 257 R HN 1.660 nan 8.270 nan 0.000 0.485 258 A N 1.347 124.170 122.820 0.005 0.000 2.406 258 A HA 0.582 4.902 4.320 0.000 0.000 0.243 258 A C 0.746 178.334 177.584 0.006 0.000 1.082 258 A CA 0.069 52.109 52.037 0.005 0.000 0.786 258 A CB -0.100 18.902 19.000 0.004 0.000 1.029 258 A HN 0.781 nan 8.150 nan 0.000 0.495 259 I N -1.612 118.962 120.570 0.006 0.000 3.466 259 I HA 0.681 4.851 4.170 0.000 0.000 0.311 259 I C -2.551 173.569 176.117 0.006 0.000 1.155 259 I CA -2.726 58.578 61.300 0.006 0.000 0.959 259 I CB 1.982 39.986 38.000 0.007 0.000 1.332 259 I HN 0.406 nan 8.210 nan 0.000 0.483 260 P HA 0.216 nan 4.420 nan 0.000 0.271 260 P C -0.208 177.095 177.300 0.005 0.000 1.233 260 P CA -0.054 63.049 63.100 0.005 0.000 0.764 260 P CB 1.510 33.213 31.700 0.006 0.000 0.825 261 A N 3.103 125.926 122.820 0.005 0.000 1.988 261 A HA 0.641 4.962 4.320 0.000 0.000 0.201 261 A C 0.931 178.518 177.584 0.005 0.000 1.410 261 A CA 0.951 52.990 52.037 0.004 0.000 0.832 261 A CB -0.291 18.711 19.000 0.003 0.000 0.981 261 A HN 0.780 nan 8.150 nan 0.000 0.492 262 G N -1.335 107.468 108.800 0.005 0.000 2.361 262 G HA2 0.209 4.169 3.960 0.000 0.000 0.331 262 G HA3 0.209 4.169 3.960 0.000 0.000 0.331 262 G C -1.419 173.484 174.900 0.006 0.000 1.324 262 G CA -0.319 44.784 45.100 0.006 0.000 0.984 262 G HN 0.491 nan 8.290 nan 0.000 0.586 263 N N -1.482 117.222 118.700 0.006 0.000 2.701 263 N HA 0.850 5.590 4.740 0.000 0.000 0.290 263 N C -0.984 174.530 175.510 0.007 0.000 1.338 263 N CA -0.974 52.080 53.050 0.006 0.000 0.799 263 N CB 2.127 40.617 38.487 0.005 0.000 1.491 263 N HN 0.510 nan 8.380 nan 0.000 0.540 264 L N 0.115 121.342 121.223 0.007 0.000 2.469 264 L HA 0.520 4.860 4.340 0.000 0.000 0.256 264 L C -1.117 175.757 176.870 0.007 0.000 1.006 264 L CA -0.638 54.207 54.840 0.008 0.000 0.832 264 L CB 2.500 44.563 42.059 0.008 0.000 1.421 264 L HN 0.542 nan 8.230 nan 0.000 0.410 265 E N 1.208 121.412 120.200 0.007 0.000 2.263 265 E HA 0.519 4.869 4.350 0.000 0.000 0.268 265 E C -1.793 174.809 176.600 0.004 0.000 0.884 265 E CA -0.724 55.679 56.400 0.005 0.000 0.766 265 E CB 1.891 31.593 29.700 0.004 0.000 1.196 265 E HN 0.374 nan 8.360 nan 0.000 0.416 266 L N 5.051 126.275 121.223 0.000 0.000 2.288 266 L HA 0.251 4.591 4.340 0.000 0.000 0.283 266 L C -0.868 175.996 176.870 -0.010 0.000 1.072 266 L CA -0.408 54.431 54.840 -0.001 0.000 0.862 266 L CB 0.304 42.362 42.059 -0.001 0.000 1.245 266 L HN 0.492 nan 8.230 nan 0.000 0.432 267 L N 3.981 125.196 121.223 -0.014 0.000 2.515 267 L HA 0.576 4.917 4.340 0.000 0.000 0.281 267 L C 0.496 177.340 176.870 -0.043 0.000 1.131 267 L CA 0.082 54.903 54.840 -0.032 0.000 0.905 267 L CB -0.427 41.607 42.059 -0.042 0.000 1.246 267 L HN 0.697 nan 8.230 nan 0.000 0.463 268 A N 3.304 126.101 122.820 -0.039 0.000 2.540 268 A HA 0.632 4.952 4.320 0.000 0.000 0.297 268 A C -0.166 177.397 177.584 -0.035 0.000 1.056 268 A CA -0.217 51.797 52.037 -0.039 0.000 0.700 268 A CB 1.280 20.266 19.000 -0.023 0.000 1.280 268 A HN 0.614 nan 8.150 nan 0.000 0.398 269 Q N -0.015 119.761 119.800 -0.040 0.000 1.221 269 Q HA -0.250 4.090 4.340 0.000 0.000 0.317 269 Q C 1.108 177.086 176.000 -0.036 0.000 0.997 269 Q CA 2.195 57.979 55.803 -0.033 0.000 0.719 269 Q CB -1.548 27.177 28.738 -0.022 0.000 4.255 269 Q HN 1.758 nan 8.270 nan 0.000 0.500 270 G N 0.079 108.863 108.800 -0.027 0.000 2.545 270 G HA2 0.157 4.118 3.960 0.000 0.000 0.212 270 G HA3 0.157 4.118 3.960 0.000 0.000 0.212 270 G C 0.210 175.095 174.900 -0.025 0.000 1.144 270 G CA 0.789 45.874 45.100 -0.026 0.000 0.813 270 G HN 0.553 nan 8.290 nan 0.000 0.531 271 R N -0.192 120.295 120.500 -0.021 0.000 2.893 271 R HA 0.758 5.098 4.340 0.000 0.000 0.245 271 R C -0.888 175.400 176.300 -0.019 0.000 1.192 271 R CA -0.426 55.664 56.100 -0.018 0.000 1.077 271 R CB 1.107 31.399 30.300 -0.012 0.000 1.253 271 R HN 0.072 nan 8.270 nan 0.000 0.505 272 S N -0.656 115.035 115.700 -0.015 0.000 2.575 272 S HA 0.592 5.062 4.470 0.000 0.000 0.278 272 S C -0.774 173.822 174.600 -0.008 0.000 1.139 272 S CA -0.880 57.312 58.200 -0.013 0.000 0.954 272 S CB 1.609 64.800 63.200 -0.015 0.000 1.054 272 S HN 0.368 nan 8.310 nan 0.000 0.483 273 V N 2.700 122.611 119.914 -0.006 0.000 2.732 273 V HA 0.645 4.765 4.120 0.000 0.000 0.310 273 V C 0.292 176.385 176.094 -0.001 0.000 1.053 273 V CA -0.941 61.357 62.300 -0.003 0.000 0.957 273 V CB 1.827 33.648 31.823 -0.002 0.000 1.018 273 V HN 0.974 nan 8.190 nan 0.000 0.452 274 R N 1.205 121.705 120.500 0.000 0.000 2.589 274 R HA 0.818 5.159 4.340 0.000 0.000 0.293 274 R C -1.629 174.673 176.300 0.002 0.000 0.963 274 R CA -0.349 55.752 56.100 0.002 0.000 0.905 274 R CB 1.969 32.270 30.300 0.002 0.000 1.144 274 R HN 0.553 nan 8.270 nan 0.000 0.459 275 V N 2.464 122.380 119.914 0.003 0.000 3.078 275 V HA 0.310 4.430 4.120 0.000 0.000 0.311 275 V C -1.442 174.654 176.094 0.003 0.000 1.138 275 V CA -0.789 61.512 62.300 0.003 0.000 1.007 275 V CB 2.305 34.129 31.823 0.002 0.000 1.045 275 V HN 0.800 nan 8.190 nan 0.000 0.432 276 D N 3.126 123.528 120.400 0.003 0.000 2.313 276 D HA 0.251 4.891 4.640 0.000 0.000 0.239 276 D C 1.032 177.334 176.300 0.003 0.000 1.142 276 D CA 0.114 54.116 54.000 0.003 0.000 0.847 276 D CB 1.999 42.801 40.800 0.003 0.000 1.082 276 D HN 0.312 nan 8.370 nan 0.000 0.480 277 V N 3.710 123.626 119.914 0.003 0.000 2.363 277 V HA -0.265 3.855 4.120 0.000 0.000 0.254 277 V C 1.657 177.752 176.094 0.002 0.000 1.074 277 V CA 2.504 64.805 62.300 0.003 0.000 1.069 277 V CB -0.338 31.487 31.823 0.003 0.000 0.659 277 V HN 0.725 nan 8.190 nan 0.000 0.455 278 A N -1.517 121.304 122.820 0.002 0.000 2.827 278 A HA 0.712 5.032 4.320 0.000 0.000 0.300 278 A C 0.884 178.469 177.584 0.002 0.000 1.237 278 A CA 0.492 52.531 52.037 0.002 0.000 0.964 278 A CB 0.134 19.135 19.000 0.003 0.000 1.143 278 A HN 0.509 nan 8.150 nan 0.000 0.554 279 A N -0.009 122.812 122.820 0.002 0.000 2.749 279 A HA 0.574 4.894 4.320 0.000 0.000 0.299 279 A C 0.821 178.406 177.584 0.001 0.000 1.105 279 A CA 0.128 52.166 52.037 0.002 0.000 0.987 279 A CB -0.781 18.221 19.000 0.002 0.000 1.180 279 A HN 1.932 nan 8.150 nan 0.000 0.528 280 G N -0.780 108.020 108.800 0.000 0.000 3.055 280 G HA2 0.255 4.215 3.960 0.000 0.000 0.654 280 G HA3 0.255 4.215 3.960 0.000 0.000 0.654 280 G C 0.723 175.623 174.900 -0.001 0.000 1.134 280 G CA -0.130 44.970 45.100 -0.000 0.000 1.049 280 G HN 1.494 nan 8.290 nan 0.000 0.458 281 A N 1.473 124.291 122.820 -0.003 0.000 2.032 281 A HA -0.046 4.274 4.320 0.000 0.000 0.221 281 A C 2.051 179.633 177.584 -0.004 0.000 1.165 281 A CA 2.358 54.393 52.037 -0.004 0.000 0.645 281 A CB -0.217 18.779 19.000 -0.007 0.000 0.807 281 A HN 1.276 nan 8.150 nan 0.000 0.453 282 E N -0.218 119.980 120.200 -0.003 0.000 2.209 282 E HA -0.136 4.214 4.350 0.000 0.000 0.196 282 E C 1.862 178.462 176.600 -0.001 0.000 0.993 282 E CA 1.195 57.594 56.400 -0.002 0.000 0.819 282 E CB -0.222 29.477 29.700 -0.002 0.000 0.745 282 E HN 0.595 nan 8.360 nan 0.000 0.477 283 A N 0.736 123.556 122.820 -0.000 0.000 1.887 283 A HA 0.041 4.361 4.320 0.000 0.000 0.212 283 A C 2.098 179.683 177.584 0.001 0.000 1.198 283 A CA 0.559 52.596 52.037 0.001 0.000 0.628 283 A CB -0.446 18.554 19.000 0.001 0.000 0.847 283 A HN 0.290 nan 8.150 nan 0.000 0.449 284 I N -0.213 120.357 120.570 0.000 0.000 2.182 284 I HA -0.400 3.771 4.170 0.000 0.000 0.248 284 I C 2.498 178.616 176.117 0.001 0.000 1.073 284 I CA 1.649 62.949 61.300 0.000 0.000 1.335 284 I CB -0.367 37.632 38.000 -0.001 0.000 1.031 284 I HN 0.279 nan 8.210 nan 0.000 0.420 285 M N -0.014 119.586 119.600 -0.000 0.000 2.254 285 M HA -0.114 4.367 4.480 0.000 0.000 0.265 285 M C 2.125 178.426 176.300 0.002 0.000 1.066 285 M CA 1.492 56.792 55.300 0.001 0.000 1.123 285 M CB -0.952 31.647 32.600 -0.001 0.000 1.388 285 M HN 0.175 nan 8.290 nan 0.000 0.425 286 K N 0.314 120.716 120.400 0.003 0.000 2.001 286 K HA -0.163 4.157 4.320 0.000 0.000 0.214 286 K C 2.098 178.700 176.600 0.004 0.000 1.050 286 K CA 1.856 58.145 56.287 0.004 0.000 0.934 286 K CB -0.429 32.072 32.500 0.003 0.000 0.718 286 K HN 0.296 nan 8.250 nan 0.000 0.443 287 A N 1.163 123.985 122.820 0.003 0.000 1.851 287 A HA -0.168 4.152 4.320 0.000 0.000 0.216 287 A C 2.418 180.004 177.584 0.003 0.000 1.195 287 A CA 1.932 53.971 52.037 0.002 0.000 0.622 287 A CB -0.961 18.040 19.000 0.002 0.000 0.831 287 A HN 0.119 nan 8.150 nan 0.000 0.444 288 V N 0.600 120.516 119.914 0.004 0.000 2.568 288 V HA -0.228 3.892 4.120 0.000 0.000 0.253 288 V C 1.635 177.732 176.094 0.006 0.000 1.072 288 V CA 2.320 64.623 62.300 0.005 0.000 1.084 288 V CB -0.728 31.098 31.823 0.005 0.000 0.676 288 V HN 0.514 nan 8.190 nan 0.000 0.469 289 D N -0.066 120.337 120.400 0.006 0.000 2.354 289 D HA 0.075 4.715 4.640 0.000 0.000 0.209 289 D C 1.916 178.221 176.300 0.007 0.000 1.015 289 D CA 1.039 55.043 54.000 0.008 0.000 0.867 289 D CB 0.306 41.111 40.800 0.008 0.000 0.933 289 D HN 0.489 nan 8.370 nan 0.000 0.520 290 G N -0.793 108.010 108.800 0.005 0.000 3.337 290 G HA2 0.123 4.083 3.960 0.000 0.000 0.246 290 G HA3 0.123 4.083 3.960 0.000 0.000 0.246 290 G C 0.526 175.427 174.900 0.002 0.000 1.131 290 G CA -0.078 45.024 45.100 0.004 0.000 0.773 290 G HN 0.210 nan 8.290 nan 0.000 0.544 291 C N 1.128 120.429 119.300 0.002 0.000 3.025 291 C HA 0.526 4.986 4.460 0.000 0.000 0.240 291 C C 1.210 176.199 174.990 -0.001 0.000 2.061 291 C CA -0.986 58.031 59.018 -0.002 0.000 1.571 291 C CB -0.343 27.394 27.740 -0.004 0.000 3.075 291 C HN 0.415 nan 8.230 nan 0.000 0.479 292 G N 0.734 109.535 108.800 0.002 0.000 2.389 292 G HA2 0.520 4.480 3.960 0.000 0.000 0.317 292 G HA3 0.520 4.480 3.960 0.000 0.000 0.317 292 G C -0.352 174.549 174.900 0.002 0.000 1.137 292 G CA -0.271 44.831 45.100 0.004 0.000 0.870 292 G HN 0.257 nan 8.290 nan 0.000 0.496 293 R N 0.910 121.410 120.500 0.001 0.000 2.347 293 R HA 0.161 4.501 4.340 0.000 0.000 0.304 293 R C 0.366 176.663 176.300 -0.005 0.000 1.072 293 R CA -0.305 55.796 56.100 0.003 0.000 0.980 293 R CB 0.745 31.048 30.300 0.005 0.000 0.986 293 R HN 0.422 nan 8.270 nan 0.000 0.448 294 L N 3.215 124.438 121.223 0.000 0.000 2.456 294 L HA 0.014 4.355 4.340 0.000 0.000 0.272 294 L C 1.269 178.135 176.870 -0.007 0.000 1.189 294 L CA 0.367 55.204 54.840 -0.005 0.000 0.846 294 L CB 0.556 42.618 42.059 0.005 0.000 1.111 294 L HN 0.520 nan 8.230 nan 0.000 0.475 295 D N 0.986 121.366 120.400 -0.032 0.000 2.422 295 D HA 0.059 4.700 4.640 0.000 0.000 0.218 295 D C -0.038 176.242 176.300 -0.034 0.000 1.047 295 D CA 0.629 54.588 54.000 -0.068 0.000 0.885 295 D CB 0.509 41.211 40.800 -0.162 0.000 1.035 295 D HN 0.446 nan 8.370 nan 0.000 0.502 296 N N 0.277 118.970 118.700 -0.012 0.000 4.190 296 N HA 0.012 4.752 4.740 0.000 0.000 0.184 296 N C -1.826 173.698 175.510 0.024 0.000 1.230 296 N CA -0.071 53.003 53.050 0.040 0.000 0.927 296 N CB 0.693 39.224 38.487 0.073 0.000 1.653 296 N HN -0.338 nan 8.380 nan 0.000 0.832 297 V N 1.942 121.873 119.914 0.029 0.000 2.539 297 V HA 0.813 4.934 4.120 0.000 0.000 0.292 297 V C 0.445 176.556 176.094 0.028 0.000 1.045 297 V CA -0.172 62.141 62.300 0.021 0.000 0.945 297 V CB 1.412 33.245 31.823 0.016 0.000 0.993 297 V HN 0.796 nan 8.190 nan 0.000 0.464 298 T N 0.838 115.406 114.554 0.023 0.000 2.889 298 T HA 0.815 5.166 4.350 0.000 0.000 0.315 298 T C -0.311 174.400 174.700 0.019 0.000 1.291 298 T CA -0.203 61.912 62.100 0.026 0.000 1.028 298 T CB 1.869 70.756 68.868 0.032 0.000 1.235 298 T HN 1.070 nan 8.240 nan 0.000 0.491 299 G N 0.550 109.361 108.800 0.020 0.000 2.949 299 G HA2 0.673 4.633 3.960 0.000 0.000 0.285 299 G HA3 0.673 4.633 3.960 0.000 0.000 0.285 299 G C -0.626 174.284 174.900 0.017 0.000 1.395 299 G CA -1.053 44.057 45.100 0.016 0.000 0.901 299 G HN 0.894 nan 8.290 nan 0.000 0.519 300 E N -0.516 119.693 120.200 0.014 0.000 3.876 300 E HA 0.459 4.809 4.350 0.000 0.000 0.398 300 E C 0.786 177.396 176.600 0.017 0.000 1.531 300 E CA 0.243 56.652 56.400 0.015 0.000 2.239 300 E CB 0.090 29.797 29.700 0.012 0.000 1.198 300 E HN 0.678 nan 8.360 nan 0.000 0.720 301 S N -2.996 112.713 115.700 0.016 0.000 2.843 301 S HA 0.582 5.052 4.470 0.000 0.000 0.301 301 S C 1.034 175.643 174.600 0.015 0.000 1.206 301 S CA -0.418 57.793 58.200 0.018 0.000 0.875 301 S CB 0.826 64.039 63.200 0.021 0.000 1.248 301 S HN 1.124 nan 8.310 nan 0.000 0.555 302 G N 1.102 109.911 108.800 0.016 0.000 2.746 302 G HA2 -0.334 3.626 3.960 0.000 0.000 0.236 302 G HA3 -0.334 3.626 3.960 0.000 0.000 0.236 302 G C 0.609 175.515 174.900 0.010 0.000 1.172 302 G CA 1.457 46.564 45.100 0.012 0.000 0.736 302 G HN 2.150 nan 8.290 nan 0.000 0.519 303 T N -0.141 114.418 114.554 0.010 0.000 2.946 303 T HA 0.371 4.721 4.350 0.000 0.000 0.311 303 T C 1.251 175.955 174.700 0.007 0.000 1.063 303 T CA 0.545 62.650 62.100 0.007 0.000 1.139 303 T CB 0.918 69.790 68.868 0.008 0.000 0.994 303 T HN 0.254 nan 8.240 nan 0.000 0.547 304 N N 1.687 120.388 118.700 0.001 0.000 2.396 304 N HA 0.014 4.754 4.740 0.000 0.000 0.180 304 N C 1.712 177.221 175.510 -0.002 0.000 1.028 304 N CA 0.434 53.481 53.050 -0.005 0.000 0.893 304 N CB -0.534 37.946 38.487 -0.013 0.000 0.967 304 N HN 0.704 nan 8.380 nan 0.000 0.440 305 I N 0.918 121.489 120.570 0.002 0.000 2.044 305 I HA -0.281 3.890 4.170 0.000 0.000 0.234 305 I C 2.534 178.659 176.117 0.014 0.000 1.031 305 I CA 1.864 63.167 61.300 0.006 0.000 1.305 305 I CB -0.949 37.054 38.000 0.006 0.000 1.026 305 I HN 0.144 nan 8.210 nan 0.000 0.392 306 G N 0.018 108.829 108.800 0.018 0.000 2.422 306 G HA2 -0.170 3.790 3.960 0.000 0.000 0.218 306 G HA3 -0.170 3.790 3.960 0.000 0.000 0.218 306 G C 1.680 176.603 174.900 0.037 0.000 1.146 306 G CA 0.762 45.877 45.100 0.027 0.000 0.769 306 G HN 0.581 nan 8.290 nan 0.000 0.547 307 G N -0.043 108.775 108.800 0.031 0.000 2.527 307 G HA2 -0.149 3.811 3.960 0.000 0.000 0.219 307 G HA3 -0.149 3.811 3.960 0.000 0.000 0.219 307 G C 1.529 176.464 174.900 0.058 0.000 1.117 307 G CA 1.149 46.274 45.100 0.041 0.000 0.759 307 G HN 0.398 nan 8.290 nan 0.000 0.556 308 M N -0.402 119.224 119.600 0.043 0.000 2.738 308 M HA 0.268 4.748 4.480 0.000 0.000 0.256 308 M C 2.244 178.604 176.300 0.100 0.000 1.253 308 M CA 0.252 55.586 55.300 0.056 0.000 1.223 308 M CB -0.705 31.895 32.600 0.001 0.000 1.263 308 M HN 0.088 nan 8.290 nan 0.000 0.521 309 L N 1.509 122.768 121.223 0.060 0.000 1.997 309 L HA -0.268 4.072 4.340 0.000 0.000 0.227 309 L C 1.844 178.751 176.870 0.062 0.000 1.087 309 L CA 2.201 57.073 54.840 0.054 0.000 0.797 309 L CB -1.180 40.903 42.059 0.039 0.000 0.902 309 L HN 0.390 nan 8.230 nan 0.000 0.441 310 E N -1.876 118.361 120.200 0.062 0.000 2.494 310 E HA -0.127 4.223 4.350 0.000 0.000 0.193 310 E C 1.577 178.210 176.600 0.055 0.000 1.074 310 E CA 0.322 56.749 56.400 0.046 0.000 0.867 310 E CB -0.309 29.413 29.700 0.036 0.000 0.924 310 E HN 0.663 nan 8.360 nan 0.000 0.502 311 H N 0.010 119.082 119.070 0.003 0.000 2.451 311 H HA 0.094 4.650 4.556 0.000 0.000 0.294 311 H C 1.872 177.200 175.328 -0.001 0.000 1.028 311 H CA 0.820 56.869 56.048 0.001 0.000 1.349 311 H CB 0.366 30.130 29.762 0.002 0.000 1.444 311 H HN 0.012 nan 8.280 nan 0.000 0.538 312 V N 0.673 120.659 119.914 0.120 0.000 2.379 312 V HA -0.108 4.012 4.120 0.000 0.000 0.245 312 V C 2.446 178.532 176.094 -0.013 0.000 1.044 312 V CA 1.882 64.222 62.300 0.066 0.000 1.036 312 V CB -0.482 31.388 31.823 0.078 0.000 0.664 312 V HN 0.429 nan 8.190 nan 0.000 0.453 313 R N -0.639 119.855 120.500 -0.010 0.000 2.170 313 R HA -0.164 4.176 4.340 0.000 0.000 0.242 313 R C 1.863 178.123 176.300 -0.067 0.000 1.145 313 R CA 1.492 57.572 56.100 -0.032 0.000 0.984 313 R CB -0.060 30.231 30.300 -0.015 0.000 0.869 313 R HN 0.483 nan 8.270 nan 0.000 0.455 314 Q N -0.698 119.041 119.800 -0.101 0.000 2.222 314 Q HA 0.063 4.403 4.340 0.000 0.000 0.206 314 Q C 0.225 176.122 176.000 -0.173 0.000 0.877 314 Q CA 0.498 56.217 55.803 -0.140 0.000 0.958 314 Q CB 1.371 30.005 28.738 -0.172 0.000 1.075 314 Q HN 0.345 nan 8.270 nan 0.000 0.483 315 T N -1.133 113.341 114.554 -0.133 0.000 2.987 315 T HA 0.042 4.392 4.350 0.000 0.000 0.248 315 T C 1.427 176.094 174.700 -0.056 0.000 0.997 315 T CA -0.078 61.963 62.100 -0.098 0.000 1.013 315 T CB 0.179 69.012 68.868 -0.058 0.000 1.077 315 T HN 0.081 nan 8.240 nan 0.000 0.483 316 M N 1.898 121.467 119.600 -0.052 0.000 2.509 316 M HA 0.525 5.005 4.480 0.000 0.000 0.250 316 M C 1.844 178.105 176.300 -0.065 0.000 1.132 316 M CA 0.402 55.673 55.300 -0.048 0.000 1.080 316 M CB -0.181 32.393 32.600 -0.044 0.000 1.408 316 M HN 0.162 nan 8.290 nan 0.000 0.484 317 A N -0.628 122.148 122.820 -0.074 0.000 2.081 317 A HA 0.055 4.375 4.320 0.000 0.000 0.214 317 A C 1.964 179.510 177.584 -0.063 0.000 1.158 317 A CA 0.921 52.911 52.037 -0.077 0.000 0.724 317 A CB -0.507 18.444 19.000 -0.081 0.000 0.826 317 A HN 0.611 nan 8.150 nan 0.000 0.463 318 E N -0.329 119.835 120.200 -0.060 0.000 2.479 318 E HA 0.156 4.506 4.350 0.000 0.000 0.193 318 E C 1.235 177.812 176.600 -0.038 0.000 1.049 318 E CA -0.142 56.229 56.400 -0.048 0.000 0.870 318 E CB 0.023 29.692 29.700 -0.050 0.000 0.944 318 E HN 0.626 nan 8.360 nan 0.000 0.492 319 L N -0.026 121.173 121.223 -0.039 0.000 2.071 319 L HA -0.029 4.311 4.340 0.000 0.000 0.201 319 L C 2.297 179.149 176.870 -0.030 0.000 1.076 319 L CA 1.613 56.435 54.840 -0.029 0.000 0.755 319 L CB -0.202 41.841 42.059 -0.027 0.000 0.915 319 L HN 0.169 nan 8.230 nan 0.000 0.445 320 T N -4.161 110.368 114.554 -0.041 0.000 3.206 320 T HA 0.207 4.557 4.350 0.000 0.000 0.253 320 T C 0.632 175.306 174.700 -0.043 0.000 1.042 320 T CA 0.152 62.227 62.100 -0.042 0.000 0.931 320 T CB -0.152 68.684 68.868 -0.053 0.000 1.029 320 T HN 0.347 nan 8.240 nan 0.000 0.564 321 N N 0.607 119.282 118.700 -0.041 0.000 2.908 321 N HA -0.201 4.540 4.740 0.000 0.000 0.227 321 N C -0.469 175.014 175.510 -0.044 0.000 0.834 321 N CA 1.642 54.670 53.050 -0.037 0.000 1.118 321 N CB -1.228 37.242 38.487 -0.028 0.000 1.008 321 N HN 0.570 nan 8.380 nan 0.000 0.623 322 K N 2.098 122.464 120.400 -0.056 0.000 2.250 322 K HA 0.092 4.412 4.320 0.000 0.000 0.277 322 K C -2.404 174.152 176.600 -0.074 0.000 1.091 322 K CA -0.890 55.356 56.287 -0.068 0.000 1.046 322 K CB 0.123 32.567 32.500 -0.093 0.000 0.982 322 K HN 0.274 nan 8.250 nan 0.000 0.429 323 P HA -0.062 nan 4.420 nan 0.000 0.268 323 P C 0.249 177.514 177.300 -0.059 0.000 1.205 323 P CA 0.146 63.214 63.100 -0.054 0.000 0.771 323 P CB 1.262 32.939 31.700 -0.038 0.000 0.858 324 S N 1.939 117.604 115.700 -0.058 0.000 2.788 324 S HA -0.336 4.134 4.470 0.000 0.000 0.446 324 S C 1.846 176.416 174.600 -0.051 0.000 1.224 324 S CA 2.598 60.768 58.200 -0.050 0.000 2.279 324 S CB -2.027 61.154 63.200 -0.031 0.000 1.802 324 S HN 0.749 nan 8.310 nan 0.000 0.487 325 S N 0.709 116.388 115.700 -0.035 0.000 2.515 325 S HA -0.072 4.398 4.470 0.000 0.000 0.231 325 S C 1.611 176.187 174.600 -0.041 0.000 0.987 325 S CA 1.023 59.218 58.200 -0.008 0.000 0.936 325 S CB -0.287 62.920 63.200 0.012 0.000 0.766 325 S HN 0.512 nan 8.310 nan 0.000 0.528 326 E N 1.291 121.410 120.200 -0.134 0.000 2.051 326 E HA 0.058 4.408 4.350 0.000 0.000 0.189 326 E C 0.584 176.796 176.600 -0.647 0.000 0.979 326 E CA 0.323 56.544 56.400 -0.298 0.000 0.803 326 E CB -0.400 29.163 29.700 -0.228 0.000 0.761 326 E HN 0.425 nan 8.360 nan 0.000 0.451 327 I N 3.674 124.004 120.570 -0.400 0.000 2.483 327 I HA 0.018 4.188 4.170 0.000 0.000 0.291 327 I C 0.327 176.277 176.117 -0.278 0.000 1.112 327 I CA -0.034 61.036 61.300 -0.383 0.000 1.350 327 I CB -1.466 36.429 38.000 -0.175 0.000 1.419 327 I HN -0.214 nan 8.210 nan 0.000 0.523 328 F N 6.867 126.812 119.950 -0.008 0.000 2.284 328 F HA 0.556 5.083 4.527 0.000 0.000 0.297 328 F C 0.744 176.541 175.800 -0.005 0.000 1.215 328 F CA -0.953 57.044 58.000 -0.006 0.000 1.120 328 F CB 0.189 39.185 39.000 -0.007 0.000 1.426 328 F HN 0.155 nan 8.300 nan 0.000 0.514 329 I N -0.493 120.201 120.570 0.207 0.000 2.730 329 I HA 0.265 4.436 4.170 0.000 0.000 0.298 329 I C -0.056 176.118 176.117 0.095 0.000 1.089 329 I CA -0.471 60.895 61.300 0.111 0.000 1.041 329 I CB 2.389 40.432 38.000 0.072 0.000 1.235 329 I HN 0.537 nan 8.210 nan 0.000 0.423 330 Q N 1.153 120.994 119.800 0.068 0.000 2.423 330 Q HA 0.165 4.505 4.340 0.000 0.000 0.231 330 Q C -0.700 175.324 176.000 0.040 0.000 0.894 330 Q CA 0.473 56.306 55.803 0.052 0.000 0.938 330 Q CB 0.884 29.648 28.738 0.043 0.000 1.079 330 Q HN 0.595 nan 8.270 nan 0.000 0.552 331 D N -0.556 119.868 120.400 0.041 0.000 2.756 331 D HA 0.493 5.133 4.640 0.000 0.000 0.226 331 D C -1.639 174.677 176.300 0.027 0.000 1.186 331 D CA -0.614 53.407 54.000 0.035 0.000 0.845 331 D CB 1.577 42.402 40.800 0.043 0.000 1.610 331 D HN 0.078 nan 8.370 nan 0.000 0.465 332 L N 0.133 121.367 121.223 0.018 0.000 2.409 332 L HA 0.851 5.191 4.340 0.000 0.000 0.255 332 L C -2.036 174.833 176.870 -0.001 0.000 1.027 332 L CA -1.147 53.699 54.840 0.009 0.000 0.834 332 L CB 1.814 43.880 42.059 0.011 0.000 1.426 332 L HN 0.400 nan 8.230 nan 0.000 0.411 333 L N 2.141 123.358 121.223 -0.010 0.000 2.441 333 L HA 0.818 5.158 4.340 0.000 0.000 0.270 333 L C -0.472 176.386 176.870 -0.021 0.000 0.973 333 L CA -0.235 54.592 54.840 -0.021 0.000 0.842 333 L CB 1.618 43.654 42.059 -0.039 0.000 1.239 333 L HN 0.866 nan 8.230 nan 0.000 0.406 334 A N 4.935 127.745 122.820 -0.017 0.000 2.269 334 A HA 0.720 5.040 4.320 0.000 0.000 0.302 334 A C -0.960 176.612 177.584 -0.019 0.000 1.266 334 A CA -0.348 51.680 52.037 -0.015 0.000 0.894 334 A CB 0.572 19.567 19.000 -0.009 0.000 1.147 334 A HN 0.543 nan 8.150 nan 0.000 0.537 335 V N 4.724 124.626 119.914 -0.021 0.000 2.462 335 V HA 0.190 4.310 4.120 0.000 0.000 0.288 335 V C -0.900 175.184 176.094 -0.017 0.000 1.020 335 V CA -0.877 61.409 62.300 -0.023 0.000 0.857 335 V CB 1.631 33.432 31.823 -0.036 0.000 1.013 335 V HN 0.933 nan 8.190 nan 0.000 0.431 336 D N 3.228 123.621 120.400 -0.013 0.000 2.382 336 D HA 0.498 5.138 4.640 0.000 0.000 0.245 336 D C 0.593 176.889 176.300 -0.008 0.000 1.120 336 D CA 0.424 54.419 54.000 -0.008 0.000 0.890 336 D CB 2.207 43.004 40.800 -0.005 0.000 1.201 336 D HN 0.745 nan 8.370 nan 0.000 0.433 337 T N -1.887 112.664 114.554 -0.006 0.000 2.565 337 T HA 0.647 4.997 4.350 0.000 0.000 0.253 337 T C -0.612 174.088 174.700 -0.000 0.000 0.868 337 T CA -0.689 61.408 62.100 -0.005 0.000 1.213 337 T CB 1.745 70.608 68.868 -0.008 0.000 1.518 337 T HN 0.278 nan 8.240 nan 0.000 0.474 338 S N -0.584 115.116 115.700 0.000 0.000 2.604 338 S HA 0.561 5.031 4.470 0.000 0.000 0.296 338 S C -1.912 172.689 174.600 0.002 0.000 1.097 338 S CA -0.151 58.052 58.200 0.006 0.000 0.883 338 S CB 0.718 63.924 63.200 0.010 0.000 1.081 338 S HN 1.921 nan 8.310 nan 0.000 0.448 339 V N 1.304 121.221 119.914 0.004 0.000 3.048 339 V HA 0.789 4.909 4.120 0.000 0.000 0.303 339 V C -2.908 173.180 176.094 -0.009 0.000 1.214 339 V CA -2.073 60.221 62.300 -0.010 0.000 0.984 339 V CB 2.069 33.883 31.823 -0.015 0.000 1.054 339 V HN 0.653 nan 8.190 nan 0.000 0.430 340 P HA 0.237 nan 4.420 nan 0.000 0.256 340 P C -0.259 176.999 177.300 -0.071 0.000 1.688 340 P CA 0.145 63.181 63.100 -0.105 0.000 1.162 340 P CB 0.652 32.166 31.700 -0.310 0.000 1.870 341 V N 2.577 122.497 119.914 0.010 0.000 2.465 341 V HA 0.122 4.242 4.120 0.000 0.000 0.279 341 V C 1.231 177.376 176.094 0.084 0.000 1.045 341 V CA -0.170 62.146 62.300 0.027 0.000 0.938 341 V CB 1.058 32.898 31.823 0.029 0.000 0.986 341 V HN 0.376 nan 8.190 nan 0.000 0.467 342 S N 2.909 118.655 115.700 0.077 0.000 2.572 342 S HA 0.225 4.695 4.470 0.000 0.000 0.267 342 S C 0.083 174.731 174.600 0.080 0.000 1.361 342 S CA -0.496 57.776 58.200 0.119 0.000 1.009 342 S CB 0.912 64.157 63.200 0.074 0.000 0.888 342 S HN 0.732 nan 8.310 nan 0.000 0.553 343 V N 0.878 120.830 119.914 0.063 0.000 2.567 343 V HA 0.547 4.667 4.120 0.000 0.000 0.289 343 V C 0.594 176.692 176.094 0.006 0.000 1.049 343 V CA -1.091 61.225 62.300 0.027 0.000 0.969 343 V CB 0.677 32.505 31.823 0.008 0.000 0.995 343 V HN 0.923 nan 8.190 nan 0.000 0.471 344 T N 0.657 115.217 114.554 0.009 0.000 2.834 344 T HA 0.544 4.894 4.350 0.000 0.000 0.298 344 T C 1.190 175.890 174.700 -0.001 0.000 0.966 344 T CA 0.430 62.535 62.100 0.008 0.000 1.141 344 T CB 0.574 69.450 68.868 0.015 0.000 0.905 344 T HN 2.363 nan 8.240 nan 0.000 0.535 345 G N 2.237 111.034 108.800 -0.005 0.000 2.201 345 G HA2 -0.051 3.909 3.960 0.000 0.000 0.212 345 G HA3 -0.051 3.909 3.960 0.000 0.000 0.212 345 G C 0.519 175.391 174.900 -0.047 0.000 0.994 345 G CA -0.163 44.933 45.100 -0.007 0.000 0.644 345 G HN 1.285 nan 8.290 nan 0.000 0.508 346 G N -0.406 108.340 108.800 -0.090 0.000 2.630 346 G HA2 0.517 4.477 3.960 0.000 0.000 0.236 346 G HA3 0.517 4.477 3.960 0.000 0.000 0.236 346 G C 0.728 175.458 174.900 -0.283 0.000 1.248 346 G CA 0.413 45.419 45.100 -0.157 0.000 0.844 346 G HN 0.704 nan 8.290 nan 0.000 0.588 347 L N 0.679 121.732 121.223 -0.283 0.000 2.878 347 L HA 0.383 4.724 4.340 0.000 0.000 0.253 347 L C 2.094 178.740 176.870 -0.374 0.000 1.135 347 L CA 1.005 55.655 54.840 -0.315 0.000 0.943 347 L CB 0.278 42.266 42.059 -0.119 0.000 1.307 347 L HN 0.632 nan 8.230 nan 0.000 0.545 348 A N -1.049 121.547 122.820 -0.374 0.000 2.340 348 A HA 0.680 5.000 4.320 0.000 0.000 0.213 348 A C 1.440 178.878 177.584 -0.244 0.000 1.299 348 A CA 0.636 52.410 52.037 -0.438 0.000 0.994 348 A CB 0.486 18.904 19.000 -0.969 0.000 1.132 348 A HN 0.342 nan 8.150 nan 0.000 0.519 349 G N -0.398 108.297 108.800 -0.175 0.000 2.370 349 G HA2 -0.068 3.893 3.960 0.000 0.000 0.174 349 G HA3 -0.068 3.893 3.960 0.000 0.000 0.174 349 G C -0.411 174.502 174.900 0.022 0.000 1.002 349 G CA -0.114 44.964 45.100 -0.038 0.000 0.730 349 G HN 0.261 nan 8.290 nan 0.000 0.497 350 E N 1.005 121.179 120.200 -0.042 0.000 2.868 350 E HA 0.398 4.748 4.350 0.000 0.000 0.246 350 E C 0.446 177.057 176.600 0.019 0.000 0.962 350 E CA 0.592 56.957 56.400 -0.058 0.000 0.955 350 E CB -0.124 29.533 29.700 -0.072 0.000 0.903 350 E HN 0.627 nan 8.360 nan 0.000 0.524 351 F N 0.770 120.715 119.950 -0.008 0.000 2.712 351 F HA 0.860 5.387 4.527 0.000 0.000 0.367 351 F C 0.067 175.863 175.800 -0.007 0.000 1.132 351 F CA -1.210 56.784 58.000 -0.010 0.000 1.066 351 F CB 1.245 40.241 39.000 -0.007 0.000 1.416 351 F HN 0.258 nan 8.300 nan 0.000 0.515 352 S N -0.435 115.607 115.700 0.570 0.000 2.655 352 S HA 0.546 5.016 4.470 0.000 0.000 0.266 352 S C -2.216 172.554 174.600 0.283 0.000 1.149 352 S CA -0.944 57.454 58.200 0.330 0.000 0.818 352 S CB 0.857 64.120 63.200 0.104 0.000 1.130 352 S HN 0.816 nan 8.310 nan 0.000 0.476 353 L N 2.721 124.045 121.223 0.168 0.000 2.275 353 L HA 0.559 4.899 4.340 0.000 0.000 0.288 353 L C -0.543 176.363 176.870 0.061 0.000 1.046 353 L CA -0.403 54.497 54.840 0.100 0.000 0.805 353 L CB 1.299 43.407 42.059 0.081 0.000 1.193 353 L HN 0.694 nan 8.230 nan 0.000 0.426 354 E N 4.329 124.555 120.200 0.044 0.000 2.199 354 E HA 0.284 4.634 4.350 0.000 0.000 0.265 354 E C -0.675 175.936 176.600 0.018 0.000 0.882 354 E CA -0.687 55.731 56.400 0.029 0.000 0.759 354 E CB 2.297 32.013 29.700 0.027 0.000 1.148 354 E HN 0.505 nan 8.360 nan 0.000 0.412 355 Q N 0.608 120.416 119.800 0.014 0.000 2.616 355 Q HA 0.244 4.584 4.340 0.000 0.000 0.269 355 Q C -0.408 175.595 176.000 0.006 0.000 1.148 355 Q CA 0.701 56.509 55.803 0.009 0.000 1.003 355 Q CB 0.521 29.263 28.738 0.007 0.000 1.322 355 Q HN 0.726 nan 8.270 nan 0.000 0.518 356 A N 0.315 123.136 122.820 0.002 0.000 2.483 356 A HA 0.699 5.019 4.320 0.000 0.000 0.306 356 A C -1.775 175.807 177.584 -0.003 0.000 1.137 356 A CA -0.582 51.455 52.037 -0.000 0.000 0.626 356 A CB 1.174 20.173 19.000 -0.002 0.000 1.352 356 A HN 0.406 nan 8.150 nan 0.000 0.508 357 V N -0.403 119.508 119.914 -0.005 0.000 2.851 357 V HA 0.688 4.808 4.120 0.000 0.000 0.307 357 V C 0.278 176.365 176.094 -0.011 0.000 1.129 357 V CA 0.087 62.383 62.300 -0.008 0.000 0.932 357 V CB 2.145 33.964 31.823 -0.006 0.000 1.024 357 V HN 1.733 nan 8.190 nan 0.000 0.426 358 G N 4.205 112.996 108.800 -0.015 0.000 2.416 358 G HA2 0.768 4.728 3.960 0.000 0.000 0.329 358 G HA3 0.768 4.728 3.960 0.000 0.000 0.329 358 G C -1.206 173.681 174.900 -0.020 0.000 1.173 358 G CA -0.460 44.628 45.100 -0.019 0.000 0.929 358 G HN 0.411 nan 8.290 nan 0.000 0.475 359 I N 0.985 121.544 120.570 -0.018 0.000 2.533 359 I HA 0.621 4.791 4.170 0.000 0.000 0.290 359 I C 0.157 176.264 176.117 -0.017 0.000 1.056 359 I CA -0.883 60.407 61.300 -0.016 0.000 1.057 359 I CB 1.473 39.468 38.000 -0.007 0.000 1.240 359 I HN 0.621 nan 8.210 nan 0.000 0.423 360 A N 4.684 127.491 122.820 -0.022 0.000 2.386 360 A HA 0.975 5.295 4.320 0.000 0.000 0.308 360 A C -0.573 177.007 177.584 -0.006 0.000 1.128 360 A CA -0.447 51.580 52.037 -0.018 0.000 0.789 360 A CB 1.803 20.782 19.000 -0.035 0.000 1.325 360 A HN 0.806 nan 8.150 nan 0.000 0.437 361 S N 0.479 116.182 115.700 0.005 0.000 2.543 361 S HA 0.651 5.121 4.470 0.000 0.000 0.274 361 S C -0.687 173.928 174.600 0.026 0.000 1.149 361 S CA -0.705 57.506 58.200 0.017 0.000 0.866 361 S CB 1.469 64.682 63.200 0.023 0.000 1.111 361 S HN 1.792 nan 8.310 nan 0.000 0.457 362 M N 2.158 121.779 119.600 0.035 0.000 2.598 362 M HA 0.788 5.268 4.480 0.000 0.000 0.317 362 M C -1.164 175.158 176.300 0.038 0.000 1.179 362 M CA -0.969 54.356 55.300 0.043 0.000 0.936 362 M CB 1.314 33.951 32.600 0.063 0.000 1.713 362 M HN 1.001 nan 8.290 nan 0.000 0.460 363 V N 0.938 120.870 119.914 0.030 0.000 2.435 363 V HA 0.645 4.765 4.120 0.000 0.000 0.290 363 V C -0.442 175.653 176.094 0.002 0.000 1.030 363 V CA -0.786 61.523 62.300 0.014 0.000 0.881 363 V CB 1.202 33.025 31.823 -0.000 0.000 0.983 363 V HN 1.010 nan 8.190 nan 0.000 0.445 364 K N 2.777 123.170 120.400 -0.011 0.000 2.213 364 K HA 0.606 4.927 4.320 0.000 0.000 0.270 364 K C -0.280 176.292 176.600 -0.047 0.000 1.002 364 K CA -0.159 56.103 56.287 -0.042 0.000 0.868 364 K CB 1.563 34.024 32.500 -0.065 0.000 1.093 364 K HN 0.947 nan 8.250 nan 0.000 0.454 365 S N 2.044 117.715 115.700 -0.048 0.000 2.537 365 S HA 0.229 4.699 4.470 0.000 0.000 0.301 365 S C 0.106 174.681 174.600 -0.041 0.000 1.092 365 S CA -0.778 57.394 58.200 -0.047 0.000 1.048 365 S CB 0.880 64.058 63.200 -0.037 0.000 1.053 365 S HN 0.733 nan 8.310 nan 0.000 0.501 366 D N 2.107 122.487 120.400 -0.033 0.000 2.407 366 D HA 0.065 4.705 4.640 0.000 0.000 0.208 366 D C 0.783 177.075 176.300 -0.014 0.000 1.083 366 D CA -0.278 53.710 54.000 -0.021 0.000 0.844 366 D CB -0.010 40.784 40.800 -0.011 0.000 0.967 366 D HN 0.386 nan 8.370 nan 0.000 0.506 367 R N 1.390 121.879 120.500 -0.020 0.000 2.811 367 R HA 0.231 4.571 4.340 0.000 0.000 0.265 367 R C 0.184 176.480 176.300 -0.006 0.000 1.026 367 R CA 0.199 56.291 56.100 -0.014 0.000 1.142 367 R CB 0.287 30.575 30.300 -0.020 0.000 1.027 367 R HN 0.206 nan 8.270 nan 0.000 0.465 368 L N 0.208 121.430 121.223 -0.002 0.000 2.315 368 L HA 0.203 4.543 4.340 0.000 0.000 0.261 368 L C -1.076 175.796 176.870 0.005 0.000 1.410 368 L CA -0.597 54.246 54.840 0.004 0.000 0.758 368 L CB 0.683 42.746 42.059 0.007 0.000 0.922 368 L HN 0.527 nan 8.230 nan 0.000 0.537 369 Q N 1.040 120.842 119.800 0.003 0.000 2.404 369 Q HA 0.303 4.643 4.340 0.000 0.000 0.272 369 Q C 1.423 177.426 176.000 0.006 0.000 0.939 369 Q CA 0.108 55.914 55.803 0.004 0.000 0.945 369 Q CB 0.333 29.072 28.738 0.002 0.000 1.195 369 Q HN 0.653 nan 8.270 nan 0.000 0.415 370 M N -0.875 118.730 119.600 0.008 0.000 2.080 370 M HA -0.181 4.299 4.480 0.000 0.000 0.260 370 M C 1.989 178.294 176.300 0.008 0.000 1.068 370 M CA 1.630 56.936 55.300 0.009 0.000 1.109 370 M CB -1.203 31.404 32.600 0.011 0.000 1.342 370 M HN 0.490 nan 8.290 nan 0.000 0.405 371 A N 0.524 123.349 122.820 0.008 0.000 1.892 371 A HA -0.252 4.068 4.320 0.000 0.000 0.218 371 A C 2.317 179.904 177.584 0.005 0.000 1.188 371 A CA 2.243 54.285 52.037 0.007 0.000 0.631 371 A CB -0.915 18.089 19.000 0.008 0.000 0.822 371 A HN 0.604 nan 8.150 nan 0.000 0.447 372 M N -0.618 118.985 119.600 0.005 0.000 2.116 372 M HA -0.238 4.242 4.480 0.000 0.000 0.255 372 M C 1.887 178.190 176.300 0.005 0.000 1.075 372 M CA 2.309 57.611 55.300 0.005 0.000 1.087 372 M CB -0.400 32.203 32.600 0.004 0.000 1.340 372 M HN 0.468 nan 8.290 nan 0.000 0.402 373 I N 0.128 120.701 120.570 0.006 0.000 2.235 373 I HA -0.151 4.019 4.170 0.000 0.000 0.241 373 I C 2.732 178.850 176.117 0.002 0.000 1.085 373 I CA 0.935 62.238 61.300 0.006 0.000 1.378 373 I CB -0.730 37.274 38.000 0.008 0.000 1.076 373 I HN 0.378 nan 8.210 nan 0.000 0.415 374 A N 0.904 123.725 122.820 0.001 0.000 1.927 374 A HA -0.300 4.020 4.320 0.000 0.000 0.220 374 A C 2.294 179.875 177.584 -0.004 0.000 1.185 374 A CA 2.058 54.093 52.037 -0.003 0.000 0.639 374 A CB -0.607 18.392 19.000 -0.002 0.000 0.820 374 A HN 0.246 nan 8.150 nan 0.000 0.451 375 R N -0.610 119.889 120.500 -0.001 0.000 2.091 375 R HA -0.105 4.235 4.340 0.000 0.000 0.238 375 R C 2.133 178.432 176.300 -0.003 0.000 1.136 375 R CA 1.615 57.715 56.100 -0.001 0.000 0.959 375 R CB -0.534 29.766 30.300 0.001 0.000 0.856 375 R HN 0.654 nan 8.270 nan 0.000 0.437 376 E N 0.241 120.440 120.200 -0.001 0.000 2.077 376 E HA -0.102 4.248 4.350 0.000 0.000 0.193 376 E C 1.683 178.279 176.600 -0.007 0.000 0.989 376 E CA 1.317 57.717 56.400 -0.001 0.000 0.800 376 E CB -0.134 29.569 29.700 0.005 0.000 0.746 376 E HN 0.309 nan 8.360 nan 0.000 0.452 377 I N 0.347 120.911 120.570 -0.010 0.000 2.133 377 I HA -0.236 3.934 4.170 0.000 0.000 0.238 377 I C 2.343 178.447 176.117 -0.022 0.000 1.074 377 I CA 1.379 62.668 61.300 -0.019 0.000 1.342 377 I CB -0.464 37.522 38.000 -0.022 0.000 1.053 377 I HN 0.124 nan 8.210 nan 0.000 0.404 378 E N 0.386 120.575 120.200 -0.018 0.000 2.187 378 E HA -0.308 4.042 4.350 0.000 0.000 0.199 378 E C 2.179 178.770 176.600 -0.015 0.000 1.004 378 E CA 1.387 57.777 56.400 -0.017 0.000 0.813 378 E CB -0.149 29.544 29.700 -0.012 0.000 0.736 378 E HN 0.442 nan 8.360 nan 0.000 0.468 379 Q N 0.952 120.744 119.800 -0.013 0.000 2.137 379 Q HA -0.131 4.209 4.340 0.000 0.000 0.198 379 Q C 1.833 177.824 176.000 -0.015 0.000 0.960 379 Q CA 1.124 56.921 55.803 -0.011 0.000 0.847 379 Q CB 0.155 28.889 28.738 -0.007 0.000 0.915 379 Q HN 0.067 nan 8.270 nan 0.000 0.448 380 K N 0.440 120.828 120.400 -0.019 0.000 2.031 380 K HA 0.014 4.334 4.320 0.000 0.000 0.205 380 K C 2.196 178.776 176.600 -0.034 0.000 1.049 380 K CA 1.033 57.304 56.287 -0.026 0.000 0.939 380 K CB -0.045 32.437 32.500 -0.030 0.000 0.717 380 K HN 0.307 nan 8.250 nan 0.000 0.438 381 L N 0.124 121.325 121.223 -0.037 0.000 2.529 381 L HA 0.107 4.447 4.340 0.000 0.000 0.223 381 L C -0.068 176.782 176.870 -0.033 0.000 1.113 381 L CA -0.118 54.697 54.840 -0.043 0.000 0.861 381 L CB -0.452 41.578 42.059 -0.050 0.000 1.012 381 L HN 0.116 nan 8.230 nan 0.000 0.461 382 N N 1.521 120.205 118.700 -0.026 0.000 2.727 382 N HA -0.169 4.572 4.740 0.000 0.000 0.249 382 N C -0.574 174.923 175.510 -0.021 0.000 1.048 382 N CA 0.945 53.983 53.050 -0.020 0.000 0.714 382 N CB -1.239 37.237 38.487 -0.018 0.000 0.959 382 N HN 0.421 nan 8.380 nan 0.000 0.544 383 I N -0.413 120.141 120.570 -0.026 0.000 2.608 383 I HA 0.228 4.398 4.170 0.000 0.000 0.295 383 I C -0.097 176.003 176.117 -0.028 0.000 1.049 383 I CA -0.973 60.310 61.300 -0.028 0.000 1.063 383 I CB 1.740 39.717 38.000 -0.039 0.000 1.248 383 I HN -0.223 nan 8.210 nan 0.000 0.424 384 D N 4.843 125.227 120.400 -0.027 0.000 2.382 384 D HA 0.172 4.812 4.640 0.000 0.000 0.259 384 D C -0.326 175.951 176.300 -0.038 0.000 1.224 384 D CA 0.203 54.189 54.000 -0.024 0.000 0.894 384 D CB 1.068 41.859 40.800 -0.014 0.000 1.127 384 D HN 0.020 nan 8.370 nan 0.000 0.487 385 V N 3.321 123.217 119.914 -0.030 0.000 2.407 385 V HA 0.248 4.368 4.120 0.000 0.000 0.278 385 V C 0.402 176.482 176.094 -0.023 0.000 1.037 385 V CA -0.548 61.731 62.300 -0.035 0.000 0.900 385 V CB 1.364 33.171 31.823 -0.026 0.000 0.983 385 V HN 0.428 nan 8.190 nan 0.000 0.459 386 Q N 3.501 123.282 119.800 -0.032 0.000 2.359 386 Q HA 0.609 4.949 4.340 0.000 0.000 0.275 386 Q C -1.577 174.421 176.000 -0.003 0.000 1.082 386 Q CA -0.896 54.903 55.803 -0.006 0.000 0.849 386 Q CB 2.196 30.936 28.738 0.003 0.000 1.377 386 Q HN 0.579 nan 8.270 nan 0.000 0.452 387 I N 2.833 123.414 120.570 0.019 0.000 2.537 387 I HA 0.285 4.455 4.170 0.000 0.000 0.276 387 I C 0.626 176.767 176.117 0.039 0.000 1.063 387 I CA -0.165 61.148 61.300 0.021 0.000 1.144 387 I CB 0.354 38.365 38.000 0.019 0.000 1.252 387 I HN 0.756 nan 8.210 nan 0.000 0.480 388 G N 3.724 112.552 108.800 0.046 0.000 2.744 388 G HA2 0.317 4.277 3.960 0.000 0.000 0.257 388 G HA3 0.317 4.277 3.960 0.000 0.000 0.257 388 G C 0.759 175.693 174.900 0.057 0.000 1.244 388 G CA 0.205 45.347 45.100 0.070 0.000 0.916 388 G HN 0.615 nan 8.290 nan 0.000 0.564 389 G N -0.674 108.163 108.800 0.062 0.000 2.393 389 G HA2 0.504 4.464 3.960 0.000 0.000 0.268 389 G HA3 0.504 4.464 3.960 0.000 0.000 0.268 389 G C 0.698 175.625 174.900 0.045 0.000 1.472 389 G CA 0.354 45.484 45.100 0.051 0.000 1.059 389 G HN 1.286 nan 8.290 nan 0.000 0.555 390 A N -0.560 122.285 122.820 0.042 0.000 2.477 390 A HA 0.315 4.636 4.320 0.000 0.000 0.246 390 A C 1.451 179.063 177.584 0.046 0.000 1.078 390 A CA 0.634 52.696 52.037 0.042 0.000 0.770 390 A CB 0.057 19.081 19.000 0.041 0.000 1.011 390 A HN 0.729 nan 8.150 nan 0.000 0.494 391 E N 2.417 122.647 120.200 0.049 0.000 2.273 391 E HA -0.251 4.099 4.350 0.000 0.000 0.198 391 E C 1.570 178.198 176.600 0.047 0.000 1.002 391 E CA 1.410 57.839 56.400 0.049 0.000 0.828 391 E CB -0.360 29.374 29.700 0.057 0.000 0.747 391 E HN 0.711 nan 8.360 nan 0.000 0.491 392 A N 1.553 124.404 122.820 0.052 0.000 2.016 392 A HA -0.147 4.173 4.320 0.000 0.000 0.217 392 A C 2.104 179.711 177.584 0.038 0.000 1.162 392 A CA 1.033 53.099 52.037 0.048 0.000 0.662 392 A CB -0.285 18.750 19.000 0.059 0.000 0.812 392 A HN 0.331 nan 8.150 nan 0.000 0.450 393 E N 0.376 120.599 120.200 0.039 0.000 2.028 393 E HA -0.134 4.216 4.350 0.000 0.000 0.191 393 E C 2.189 178.810 176.600 0.035 0.000 0.988 393 E CA 1.067 57.488 56.400 0.035 0.000 0.799 393 E CB -0.282 29.441 29.700 0.038 0.000 0.755 393 E HN 0.471 nan 8.360 nan 0.000 0.447 394 A N 1.710 124.554 122.820 0.040 0.000 1.873 394 A HA -0.243 4.077 4.320 0.000 0.000 0.218 394 A C 2.450 180.052 177.584 0.030 0.000 1.193 394 A CA 2.510 54.570 52.037 0.040 0.000 0.629 394 A CB -1.210 17.814 19.000 0.041 0.000 0.826 394 A HN 0.477 nan 8.150 nan 0.000 0.447 395 A N 0.168 123.003 122.820 0.026 0.000 1.859 395 A HA -0.252 4.068 4.320 0.000 0.000 0.218 395 A C 2.114 179.707 177.584 0.014 0.000 1.242 395 A CA 2.049 54.096 52.037 0.017 0.000 0.661 395 A CB -1.052 17.957 19.000 0.015 0.000 0.842 395 A HN 0.573 nan 8.150 nan 0.000 0.455 396 I N -0.166 120.413 120.570 0.015 0.000 2.248 396 I HA -0.295 3.875 4.170 0.000 0.000 0.248 396 I C 2.460 178.580 176.117 0.005 0.000 1.107 396 I CA 1.245 62.551 61.300 0.009 0.000 1.373 396 I CB -0.510 37.497 38.000 0.012 0.000 1.055 396 I HN 0.360 nan 8.210 nan 0.000 0.418 397 L N 0.482 121.713 121.223 0.014 0.000 1.970 397 L HA -0.167 4.174 4.340 0.000 0.000 0.212 397 L C 2.780 179.658 176.870 0.013 0.000 1.071 397 L CA 1.971 56.820 54.840 0.015 0.000 0.751 397 L CB -1.497 40.581 42.059 0.032 0.000 0.889 397 L HN 0.327 nan 8.230 nan 0.000 0.432 398 G N -0.554 108.257 108.800 0.018 0.000 2.442 398 G HA2 -0.243 3.718 3.960 0.000 0.000 0.219 398 G HA3 -0.243 3.718 3.960 0.000 0.000 0.219 398 G C 1.767 176.670 174.900 0.005 0.000 1.141 398 G CA 0.857 45.966 45.100 0.015 0.000 0.763 398 G HN 0.490 nan 8.290 nan 0.000 0.554 399 A N 0.579 123.400 122.820 0.002 0.000 1.948 399 A HA 0.025 4.346 4.320 0.000 0.000 0.220 399 A C 2.321 179.895 177.584 -0.017 0.000 1.177 399 A CA 1.293 53.328 52.037 -0.004 0.000 0.636 399 A CB -0.388 18.611 19.000 -0.001 0.000 0.815 399 A HN 0.373 nan 8.150 nan 0.000 0.449 400 L N 0.198 121.405 121.223 -0.026 0.000 2.551 400 L HA -0.067 4.274 4.340 0.000 0.000 0.228 400 L C 2.357 179.203 176.870 -0.041 0.000 1.153 400 L CA 1.251 56.061 54.840 -0.051 0.000 0.851 400 L CB -0.310 41.716 42.059 -0.056 0.000 0.959 400 L HN 0.626 nan 8.230 nan 0.000 0.451 401 T N -4.685 109.858 114.554 -0.019 0.000 3.215 401 T HA -0.004 4.346 4.350 0.000 0.000 0.254 401 T C 0.759 175.451 174.700 -0.014 0.000 1.149 401 T CA -0.082 62.011 62.100 -0.012 0.000 1.042 401 T CB -0.646 68.223 68.868 0.002 0.000 0.966 401 T HN 0.042 nan 8.240 nan 0.000 0.534 402 T N 4.670 119.213 114.554 -0.019 0.000 2.749 402 T HA 0.368 4.718 4.350 0.000 0.000 0.295 402 T C -2.661 172.030 174.700 -0.015 0.000 0.936 402 T CA -1.251 60.842 62.100 -0.011 0.000 1.060 402 T CB 1.066 69.933 68.868 -0.003 0.000 0.904 402 T HN 0.109 nan 8.240 nan 0.000 0.500 403 P HA 0.139 nan 4.420 nan 0.000 0.258 403 P C 0.983 178.290 177.300 0.012 0.000 1.172 403 P CA 1.013 64.112 63.100 -0.000 0.000 0.762 403 P CB -0.024 31.680 31.700 0.007 0.000 0.764 404 G N 1.660 110.460 108.800 0.000 0.000 2.131 404 G HA2 -0.188 3.773 3.960 0.000 0.000 0.223 404 G HA3 -0.188 3.773 3.960 0.000 0.000 0.223 404 G C 0.233 175.138 174.900 0.008 0.000 0.990 404 G CA 0.137 45.260 45.100 0.038 0.000 0.671 404 G HN 0.774 nan 8.290 nan 0.000 0.521 405 T N -2.250 112.211 114.554 -0.155 0.000 2.943 405 T HA 0.835 5.185 4.350 0.000 0.000 0.284 405 T C -0.126 174.180 174.700 -0.658 0.000 1.015 405 T CA 0.352 62.161 62.100 -0.485 0.000 1.042 405 T CB 2.994 71.714 68.868 -0.246 0.000 1.055 405 T HN 1.421 nan 8.240 nan 0.000 0.500 406 T N -0.269 113.642 114.554 -1.072 0.000 2.700 406 T HA 0.473 4.823 4.350 0.000 0.000 0.307 406 T C -1.439 172.993 174.700 -0.446 0.000 1.580 406 T CA -0.939 60.800 62.100 -0.600 0.000 0.992 406 T CB 1.135 69.748 68.868 -0.426 0.000 1.577 406 T HN 0.749 nan 8.240 nan 0.000 0.496 407 R N 2.350 122.737 120.500 -0.189 0.000 2.539 407 R HA 0.497 4.837 4.340 0.000 0.000 0.275 407 R C -2.151 174.161 176.300 0.020 0.000 1.077 407 R CA -1.344 54.718 56.100 -0.063 0.000 1.097 407 R CB 0.115 30.395 30.300 -0.034 0.000 1.018 407 R HN 0.420 nan 8.270 nan 0.000 0.483 408 P HA 0.188 nan 4.420 nan 0.000 0.285 408 P C -1.076 176.292 177.300 0.113 0.000 1.259 408 P CA -0.352 62.790 63.100 0.070 0.000 0.794 408 P CB 1.066 32.809 31.700 0.073 0.000 0.940 409 L N 2.354 123.613 121.223 0.059 0.000 2.354 409 L HA 0.830 5.170 4.340 0.000 0.000 0.269 409 L C -1.017 175.893 176.870 0.066 0.000 1.005 409 L CA -0.787 54.101 54.840 0.080 0.000 0.819 409 L CB 1.951 44.004 42.059 -0.010 0.000 1.311 409 L HN 0.446 nan 8.230 nan 0.000 0.423 410 A N 4.973 127.841 122.820 0.080 0.000 2.401 410 A HA 0.799 5.120 4.320 0.000 0.000 0.310 410 A C -1.053 176.554 177.584 0.039 0.000 1.075 410 A CA -0.641 51.425 52.037 0.048 0.000 0.746 410 A CB 1.524 20.548 19.000 0.040 0.000 1.277 410 A HN 0.769 nan 8.150 nan 0.000 0.425 411 I N -0.669 119.914 120.570 0.021 0.000 2.647 411 I HA 0.757 4.928 4.170 0.000 0.000 0.295 411 I C -1.453 174.663 176.117 -0.002 0.000 1.078 411 I CA -0.965 60.341 61.300 0.010 0.000 1.048 411 I CB 1.948 39.952 38.000 0.006 0.000 1.239 411 I HN 0.458 nan 8.210 nan 0.000 0.421 412 L N 3.852 125.071 121.223 -0.006 0.000 2.313 412 L HA 0.521 4.861 4.340 0.000 0.000 0.283 412 L C -0.828 176.032 176.870 -0.017 0.000 1.013 412 L CA -0.545 54.289 54.840 -0.009 0.000 0.816 412 L CB 1.433 43.494 42.059 0.003 0.000 1.236 412 L HN 0.599 nan 8.230 nan 0.000 0.419 413 D N 3.731 124.116 120.400 -0.024 0.000 2.295 413 D HA 0.384 5.024 4.640 0.000 0.000 0.248 413 D C -0.682 175.630 176.300 0.021 0.000 1.154 413 D CA -0.099 53.890 54.000 -0.017 0.000 0.857 413 D CB 0.907 41.687 40.800 -0.033 0.000 1.117 413 D HN 0.348 nan 8.370 nan 0.000 0.468 414 L N 4.003 125.234 121.223 0.014 0.000 2.272 414 L HA 0.579 4.919 4.340 0.000 0.000 0.284 414 L C 1.073 178.000 176.870 0.095 0.000 1.045 414 L CA -0.757 54.134 54.840 0.085 0.000 0.842 414 L CB 1.130 43.065 42.059 -0.207 0.000 1.224 414 L HN 0.392 nan 8.230 nan 0.000 0.430 415 G N 1.163 110.054 108.800 0.151 0.000 2.890 415 G HA2 0.607 4.567 3.960 0.000 0.000 0.189 415 G HA3 0.607 4.567 3.960 0.000 0.000 0.189 415 G C 0.564 175.558 174.900 0.157 0.000 1.342 415 G CA 0.298 45.466 45.100 0.112 0.000 1.026 415 G HN 0.515 nan 8.290 nan 0.000 0.579 416 A N -1.324 121.553 122.820 0.095 0.000 1.920 416 A HA 0.400 4.721 4.320 0.000 0.000 0.209 416 A C 2.365 179.974 177.584 0.043 0.000 1.229 416 A CA 1.679 53.762 52.037 0.077 0.000 0.671 416 A CB -0.775 18.255 19.000 0.050 0.000 0.886 416 A HN 0.936 nan 8.150 nan 0.000 0.461 417 G N -0.796 108.028 108.800 0.040 0.000 2.404 417 G HA2 0.211 4.171 3.960 0.000 0.000 0.215 417 G HA3 0.211 4.171 3.960 0.000 0.000 0.215 417 G C 0.809 175.724 174.900 0.025 0.000 1.174 417 G CA 1.454 46.572 45.100 0.031 0.000 0.780 417 G HN 0.780 nan 8.290 nan 0.000 0.537 418 S N -1.654 114.068 115.700 0.037 0.000 2.638 418 S HA 0.547 5.017 4.470 0.000 0.000 0.274 418 S C -0.877 173.747 174.600 0.041 0.000 1.157 418 S CA 0.028 58.246 58.200 0.030 0.000 0.826 418 S CB 1.550 64.781 63.200 0.052 0.000 1.139 418 S HN 0.515 nan 8.310 nan 0.000 0.474 419 T N 1.407 115.979 114.554 0.031 0.000 2.874 419 T HA 0.527 4.877 4.350 0.000 0.000 0.321 419 T C -1.132 173.552 174.700 -0.028 0.000 1.075 419 T CA -0.790 61.342 62.100 0.052 0.000 0.966 419 T CB 0.275 69.208 68.868 0.107 0.000 1.001 419 T HN 0.427 nan 8.240 nan 0.000 0.476 420 D N 2.662 122.995 120.400 -0.111 0.000 2.302 420 D HA 0.561 5.202 4.640 0.000 0.000 0.248 420 D C -0.235 175.979 176.300 -0.143 0.000 1.094 420 D CA -0.259 53.573 54.000 -0.280 0.000 0.897 420 D CB 1.447 41.957 40.800 -0.484 0.000 1.200 420 D HN 0.821 nan 8.370 nan 0.000 0.429 421 A N 1.230 123.982 122.820 -0.113 0.000 2.335 421 A HA 0.581 4.901 4.320 0.000 0.000 0.304 421 A C -0.527 177.050 177.584 -0.013 0.000 1.118 421 A CA -0.666 51.349 52.037 -0.036 0.000 0.757 421 A CB 0.939 19.938 19.000 -0.002 0.000 1.188 421 A HN 0.341 nan 8.150 nan 0.000 0.460 422 S N 2.458 118.155 115.700 -0.004 0.000 2.472 422 S HA 0.758 5.229 4.470 0.000 0.000 0.303 422 S C -0.573 174.040 174.600 0.022 0.000 1.099 422 S CA -0.539 57.672 58.200 0.018 0.000 1.077 422 S CB 1.392 64.602 63.200 0.017 0.000 1.031 422 S HN 0.835 nan 8.310 nan 0.000 0.487 423 I N 3.572 124.159 120.570 0.029 0.000 2.722 423 I HA 0.555 4.725 4.170 0.000 0.000 0.292 423 I C -1.817 174.318 176.117 0.030 0.000 1.267 423 I CA -0.849 60.468 61.300 0.029 0.000 1.036 423 I CB 1.678 39.696 38.000 0.030 0.000 1.281 423 I HN 0.818 nan 8.210 nan 0.000 0.423 424 I N 7.274 127.861 120.570 0.028 0.000 2.693 424 I HA 0.435 4.605 4.170 0.000 0.000 0.303 424 I C -0.910 175.223 176.117 0.027 0.000 1.025 424 I CA -0.677 60.637 61.300 0.024 0.000 1.086 424 I CB 1.838 39.847 38.000 0.016 0.000 1.268 424 I HN 0.742 nan 8.210 nan 0.000 0.440 425 N N 7.328 126.043 118.700 0.024 0.000 2.487 425 N HA 0.387 5.127 4.740 0.000 0.000 0.292 425 N C -2.713 172.807 175.510 0.017 0.000 1.108 425 N CA -2.093 50.972 53.050 0.025 0.000 0.956 425 N CB 1.240 39.741 38.487 0.024 0.000 1.176 425 N HN 0.274 nan 8.380 nan 0.000 0.484 426 P HA 0.020 nan 4.420 nan 0.000 0.257 426 P C 0.089 177.392 177.300 0.005 0.000 1.359 426 P CA 0.660 63.765 63.100 0.008 0.000 1.239 426 P CB 0.163 31.870 31.700 0.012 0.000 1.549 427 K N 1.837 122.239 120.400 0.002 0.000 2.400 427 K HA 0.022 4.342 4.320 0.000 0.000 0.186 427 K C 0.863 177.464 176.600 0.001 0.000 2.562 427 K CA 0.985 57.273 56.287 0.001 0.000 1.343 427 K CB -0.533 31.969 32.500 0.004 0.000 2.827 427 K HN 0.335 nan 8.250 nan 0.000 0.414 428 G N 1.432 110.235 108.800 0.005 0.000 4.474 428 G HA2 0.045 4.006 3.960 0.000 0.000 0.202 428 G HA3 0.045 4.006 3.960 0.000 0.000 0.202 428 G C -0.592 174.315 174.900 0.011 0.000 0.708 428 G CA 0.057 45.161 45.100 0.007 0.000 0.806 428 G HN 0.251 nan 8.290 nan 0.000 0.508 429 D N 0.716 121.124 120.400 0.013 0.000 2.339 429 D HA 0.580 5.220 4.640 0.000 0.000 0.245 429 D C -0.336 175.976 176.300 0.019 0.000 1.115 429 D CA 0.452 54.462 54.000 0.016 0.000 0.917 429 D CB 1.101 41.911 40.800 0.016 0.000 1.192 429 D HN 0.129 nan 8.370 nan 0.000 0.428 430 I N 3.532 124.116 120.570 0.023 0.000 2.667 430 I HA 0.239 4.409 4.170 0.000 0.000 0.288 430 I C -0.744 175.391 176.117 0.031 0.000 1.267 430 I CA -0.461 60.855 61.300 0.027 0.000 1.055 430 I CB 1.846 39.862 38.000 0.027 0.000 1.294 430 I HN 0.192 nan 8.210 nan 0.000 0.429 431 I N 4.828 125.419 120.570 0.035 0.000 2.509 431 I HA 0.740 4.911 4.170 0.000 0.000 0.293 431 I C -0.047 176.101 176.117 0.052 0.000 1.020 431 I CA -0.544 60.781 61.300 0.041 0.000 1.088 431 I CB 2.189 40.211 38.000 0.037 0.000 1.267 431 I HN 0.609 nan 8.210 nan 0.000 0.430 432 A N 3.674 126.536 122.820 0.071 0.000 2.354 432 A HA 0.901 5.221 4.320 0.000 0.000 0.321 432 A C -0.497 177.173 177.584 0.144 0.000 1.125 432 A CA -0.550 51.551 52.037 0.106 0.000 0.799 432 A CB 2.036 21.124 19.000 0.147 0.000 1.293 432 A HN 0.656 nan 8.150 nan 0.000 0.452 433 T N -0.249 114.422 114.554 0.195 0.000 2.889 433 T HA 0.620 4.970 4.350 0.000 0.000 0.315 433 T C -1.908 173.009 174.700 0.362 0.000 1.291 433 T CA -0.536 61.709 62.100 0.241 0.000 1.028 433 T CB 1.012 69.947 68.868 0.112 0.000 1.235 433 T HN 0.731 nan 8.240 nan 0.000 0.491 434 H N 1.922 121.006 119.070 0.024 0.000 2.689 434 H HA 0.724 5.280 4.556 0.000 0.000 0.346 434 H C -0.945 174.395 175.328 0.020 0.000 1.037 434 H CA -0.607 55.456 56.048 0.024 0.000 1.234 434 H CB 1.219 30.996 29.762 0.025 0.000 1.572 434 H HN 0.419 nan 8.280 nan 0.000 0.524 435 L N 1.553 122.837 121.223 0.101 0.000 2.342 435 L HA 0.725 5.065 4.340 0.000 0.000 0.271 435 L C 0.433 177.325 176.870 0.036 0.000 1.008 435 L CA -0.877 53.998 54.840 0.058 0.000 0.818 435 L CB 1.690 43.766 42.059 0.029 0.000 1.296 435 L HN 0.755 nan 8.230 nan 0.000 0.427 436 A N 1.386 124.220 122.820 0.022 0.000 2.388 436 A HA 0.677 4.997 4.320 0.000 0.000 0.257 436 A C 0.524 178.083 177.584 -0.041 0.000 1.095 436 A CA 0.405 52.444 52.037 0.002 0.000 0.791 436 A CB -0.089 18.915 19.000 0.006 0.000 1.029 436 A HN 1.208 nan 8.150 nan 0.000 0.489 437 G N 0.007 108.767 108.800 -0.067 0.000 3.448 437 G HA2 0.555 4.515 3.960 0.000 0.000 0.685 437 G HA3 0.555 4.515 3.960 0.000 0.000 0.685 437 G C -0.387 174.359 174.900 -0.257 0.000 1.151 437 G CA 0.011 45.024 45.100 -0.145 0.000 1.023 437 G HN 2.317 nan 8.290 nan 0.000 0.499 438 A N 1.329 123.975 122.820 -0.290 0.000 4.834 438 A HA 0.984 5.304 4.320 0.000 0.000 0.203 438 A C 1.912 179.326 177.584 -0.284 0.000 0.816 438 A CA 0.802 52.586 52.037 -0.421 0.000 0.730 438 A CB -0.519 18.481 19.000 -0.001 0.000 1.852 438 A HN 2.223 nan 8.150 nan 0.000 0.922 439 G N -0.082 108.802 108.800 0.141 0.000 2.499 439 G HA2 -0.145 3.815 3.960 0.000 0.000 0.221 439 G HA3 -0.145 3.815 3.960 0.000 0.000 0.221 439 G C 0.587 175.526 174.900 0.066 0.000 1.109 439 G CA 1.804 47.034 45.100 0.217 0.000 0.749 439 G HN 0.534 nan 8.290 nan 0.000 0.568 440 D N -0.324 120.081 120.400 0.009 0.000 2.162 440 D HA 0.006 4.646 4.640 0.000 0.000 0.205 440 D C 2.347 178.629 176.300 -0.030 0.000 0.964 440 D CA 0.345 54.342 54.000 -0.005 0.000 0.847 440 D CB -0.297 40.501 40.800 -0.005 0.000 0.988 440 D HN 0.268 nan 8.370 nan 0.000 0.480 441 M N 0.569 120.125 119.600 -0.074 0.000 2.080 441 M HA -0.183 4.297 4.480 0.000 0.000 0.260 441 M C 1.995 178.255 176.300 -0.066 0.000 1.068 441 M CA 1.179 56.429 55.300 -0.083 0.000 1.109 441 M CB 0.040 32.560 32.600 -0.133 0.000 1.342 441 M HN -0.147 nan 8.290 nan 0.000 0.405 442 V N 0.291 120.158 119.914 -0.078 0.000 2.231 442 V HA -0.349 3.771 4.120 0.000 0.000 0.248 442 V C 2.245 178.346 176.094 0.012 0.000 1.054 442 V CA 2.587 64.875 62.300 -0.020 0.000 1.015 442 V CB -1.439 30.411 31.823 0.046 0.000 0.638 442 V HN 0.570 nan 8.190 nan 0.000 0.444 443 T N -0.509 114.060 114.554 0.025 0.000 2.737 443 T HA -0.309 4.041 4.350 0.000 0.000 0.269 443 T C 1.795 176.506 174.700 0.018 0.000 1.040 443 T CA 2.194 64.313 62.100 0.032 0.000 1.142 443 T CB -0.307 68.578 68.868 0.028 0.000 0.861 443 T HN 0.353 nan 8.240 nan 0.000 0.456 444 M N 0.481 120.083 119.600 0.004 0.000 2.064 444 M HA -0.038 4.442 4.480 0.000 0.000 0.260 444 M C 2.126 178.423 176.300 -0.004 0.000 1.073 444 M CA 1.733 57.032 55.300 -0.002 0.000 1.124 444 M CB -0.287 32.305 32.600 -0.013 0.000 1.326 444 M HN 0.226 nan 8.290 nan 0.000 0.410 445 I N 0.066 120.630 120.570 -0.010 0.000 2.163 445 I HA -0.343 3.827 4.170 0.000 0.000 0.243 445 I C 2.252 178.369 176.117 -0.001 0.000 1.085 445 I CA 1.462 62.756 61.300 -0.010 0.000 1.347 445 I CB -0.837 37.154 38.000 -0.015 0.000 1.044 445 I HN 0.343 nan 8.210 nan 0.000 0.408 446 I N 1.444 122.020 120.570 0.010 0.000 2.127 446 I HA -0.322 3.848 4.170 0.000 0.000 0.241 446 I C 2.971 179.094 176.117 0.009 0.000 1.075 446 I CA 1.647 62.958 61.300 0.018 0.000 1.334 446 I CB -0.590 37.432 38.000 0.036 0.000 1.040 446 I HN 0.218 nan 8.210 nan 0.000 0.405 447 A N 0.638 123.464 122.820 0.010 0.000 1.892 447 A HA -0.223 4.097 4.320 0.000 0.000 0.218 447 A C 2.437 180.016 177.584 -0.009 0.000 1.188 447 A CA 1.651 53.691 52.037 0.004 0.000 0.631 447 A CB -0.517 18.490 19.000 0.011 0.000 0.822 447 A HN 0.284 nan 8.150 nan 0.000 0.447 448 R N -0.445 120.048 120.500 -0.011 0.000 2.062 448 R HA -0.048 4.292 4.340 0.000 0.000 0.229 448 R C 1.962 178.246 176.300 -0.026 0.000 1.128 448 R CA 1.373 57.461 56.100 -0.020 0.000 0.960 448 R CB -0.636 29.654 30.300 -0.017 0.000 0.855 448 R HN 0.699 nan 8.270 nan 0.000 0.432 449 E N 0.472 120.661 120.200 -0.018 0.000 2.265 449 E HA -0.133 4.217 4.350 0.000 0.000 0.196 449 E C 1.431 178.013 176.600 -0.029 0.000 0.996 449 E CA 0.638 57.027 56.400 -0.019 0.000 0.832 449 E CB 0.072 29.767 29.700 -0.008 0.000 0.756 449 E HN 0.039 nan 8.360 nan 0.000 0.491 450 L N -0.304 120.902 121.223 -0.028 0.000 2.558 450 L HA 0.129 4.470 4.340 0.000 0.000 0.225 450 L C 1.008 177.839 176.870 -0.065 0.000 1.128 450 L CA 0.794 55.611 54.840 -0.038 0.000 0.868 450 L CB -0.379 41.667 42.059 -0.021 0.000 1.006 450 L HN 0.125 nan 8.230 nan 0.000 0.454 451 G N 0.719 109.479 108.800 -0.066 0.000 2.370 451 G HA2 -0.264 3.697 3.960 0.000 0.000 0.295 451 G HA3 -0.264 3.697 3.960 0.000 0.000 0.295 451 G C -0.372 174.489 174.900 -0.065 0.000 1.045 451 G CA 0.125 45.175 45.100 -0.083 0.000 1.199 451 G HN 0.187 nan 8.290 nan 0.000 0.513 452 L N -0.725 120.473 121.223 -0.042 0.000 2.381 452 L HA 0.609 4.949 4.340 0.000 0.000 0.274 452 L C 1.111 177.967 176.870 -0.022 0.000 0.988 452 L CA -0.629 54.192 54.840 -0.030 0.000 0.824 452 L CB 1.822 43.870 42.059 -0.018 0.000 1.263 452 L HN 0.310 nan 8.230 nan 0.000 0.410 453 E N 1.268 121.453 120.200 -0.024 0.000 2.014 453 E HA -0.101 4.249 4.350 0.000 0.000 0.190 453 E C 0.118 176.710 176.600 -0.013 0.000 0.980 453 E CA 0.655 57.042 56.400 -0.021 0.000 0.807 453 E CB 0.161 29.844 29.700 -0.027 0.000 0.770 453 E HN 0.653 nan 8.360 nan 0.000 0.451 454 D N -0.228 120.162 120.400 -0.017 0.000 2.531 454 D HA -0.093 4.547 4.640 0.000 0.000 0.239 454 D C 0.621 176.945 176.300 0.040 0.000 1.144 454 D CA 0.297 54.291 54.000 -0.009 0.000 0.869 454 D CB 0.767 41.553 40.800 -0.024 0.000 1.160 454 D HN -0.011 nan 8.370 nan 0.000 0.484 455 R N 3.041 123.598 120.500 0.094 0.000 2.237 455 R HA 0.086 4.426 4.340 0.000 0.000 0.195 455 R C 1.400 177.830 176.300 0.217 0.000 0.956 455 R CA 0.803 56.983 56.100 0.135 0.000 1.029 455 R CB -0.263 30.117 30.300 0.133 0.000 0.972 455 R HN 0.636 nan 8.270 nan 0.000 0.493 456 Y N -0.745 119.542 120.300 -0.021 0.000 2.293 456 Y HA -0.156 4.394 4.550 0.000 0.000 0.291 456 Y C 1.718 177.594 175.900 -0.040 0.000 1.137 456 Y CA 0.384 58.467 58.100 -0.028 0.000 1.202 456 Y CB 0.091 38.529 38.460 -0.036 0.000 0.990 456 Y HN 0.079 nan 8.280 nan 0.000 0.537 457 L N 0.186 121.486 121.223 0.127 0.000 2.156 457 L HA -0.080 4.260 4.340 0.000 0.000 0.208 457 L C 2.322 179.212 176.870 0.033 0.000 1.095 457 L CA 1.691 56.557 54.840 0.043 0.000 0.770 457 L CB -0.951 41.118 42.059 0.016 0.000 0.914 457 L HN 0.107 nan 8.230 nan 0.000 0.439 458 A N -0.574 122.274 122.820 0.047 0.000 1.858 458 A HA -0.245 4.076 4.320 0.000 0.000 0.216 458 A C 2.227 179.839 177.584 0.047 0.000 1.190 458 A CA 1.606 53.668 52.037 0.042 0.000 0.617 458 A CB -0.833 18.191 19.000 0.040 0.000 0.827 458 A HN 0.484 nan 8.150 nan 0.000 0.443 459 E N 0.359 120.582 120.200 0.039 0.000 2.108 459 E HA -0.251 4.099 4.350 0.000 0.000 0.203 459 E C 1.894 178.520 176.600 0.042 0.000 1.022 459 E CA 2.288 58.700 56.400 0.020 0.000 0.823 459 E CB -0.291 29.372 29.700 -0.062 0.000 0.744 459 E HN 0.747 nan 8.360 nan 0.000 0.456 460 E N -0.281 119.915 120.200 -0.006 0.000 2.072 460 E HA -0.122 4.228 4.350 0.000 0.000 0.190 460 E C 2.352 178.970 176.600 0.031 0.000 0.982 460 E CA 1.112 57.465 56.400 -0.079 0.000 0.803 460 E CB -0.241 29.340 29.700 -0.200 0.000 0.755 460 E HN 0.373 nan 8.360 nan 0.000 0.453 461 I N 1.527 122.122 120.570 0.042 0.000 2.502 461 I HA -0.305 3.866 4.170 0.000 0.000 0.258 461 I C 2.573 178.787 176.117 0.160 0.000 1.172 461 I CA 1.191 62.542 61.300 0.086 0.000 1.430 461 I CB -0.218 37.816 38.000 0.057 0.000 1.086 461 I HN 0.066 nan 8.210 nan 0.000 0.440 462 K N 1.365 121.869 120.400 0.173 0.000 2.166 462 K HA -0.051 4.269 4.320 0.000 0.000 0.201 462 K C 1.590 178.392 176.600 0.338 0.000 1.052 462 K CA 0.788 57.203 56.287 0.213 0.000 0.969 462 K CB 0.251 32.846 32.500 0.159 0.000 0.761 462 K HN 0.215 nan 8.250 nan 0.000 0.459 463 K N -0.419 120.196 120.400 0.358 0.000 2.374 463 K HA 0.104 4.424 4.320 0.000 0.000 0.196 463 K C -0.476 176.167 176.600 0.071 0.000 1.023 463 K CA 0.095 56.592 56.287 0.349 0.000 1.103 463 K CB 0.585 33.284 32.500 0.333 0.000 0.848 463 K HN 0.077 nan 8.250 nan 0.000 0.528 464 Y N 0.690 120.923 120.300 -0.113 0.000 2.562 464 Y HA 0.287 4.837 4.550 0.000 0.000 0.345 464 Y C -2.478 173.279 175.900 -0.238 0.000 1.045 464 Y CA -2.621 55.275 58.100 -0.340 0.000 1.028 464 Y CB 2.220 40.584 38.460 -0.159 0.000 1.297 464 Y HN -0.116 nan 8.280 nan 0.000 0.463 465 P HA 0.382 nan 4.420 nan 0.000 0.280 465 P C -1.235 176.112 177.300 0.078 0.000 1.272 465 P CA -0.402 62.726 63.100 0.047 0.000 0.819 465 P CB 1.630 33.342 31.700 0.020 0.000 1.122 466 L N 0.135 121.409 121.223 0.084 0.000 2.334 466 L HA 0.781 5.121 4.340 0.000 0.000 0.272 466 L C 0.554 177.402 176.870 -0.037 0.000 1.020 466 L CA -0.862 53.993 54.840 0.025 0.000 0.812 466 L CB 1.591 43.672 42.059 0.036 0.000 1.264 466 L HN 0.426 nan 8.230 nan 0.000 0.439 467 A N 1.914 124.665 122.820 -0.115 0.000 2.347 467 A HA 0.796 5.116 4.320 0.000 0.000 0.301 467 A C -1.034 176.478 177.584 -0.121 0.000 1.163 467 A CA -0.555 51.365 52.037 -0.196 0.000 0.860 467 A CB 1.827 20.604 19.000 -0.370 0.000 1.367 467 A HN 0.522 nan 8.150 nan 0.000 0.461 468 K N 1.261 121.588 120.400 -0.122 0.000 2.656 468 K HA 0.424 4.745 4.320 0.000 0.000 0.241 468 K C -1.149 175.360 176.600 -0.151 0.000 0.967 468 K CA -0.290 55.929 56.287 -0.114 0.000 0.946 468 K CB 1.046 33.496 32.500 -0.084 0.000 1.164 468 K HN 0.562 nan 8.250 nan 0.000 0.459 469 V N 3.431 123.243 119.914 -0.171 0.000 2.694 469 V HA 0.034 4.154 4.120 0.000 0.000 0.306 469 V C 1.169 177.069 176.094 -0.323 0.000 1.054 469 V CA 0.465 62.636 62.300 -0.216 0.000 1.161 469 V CB 0.543 32.259 31.823 -0.178 0.000 0.916 469 V HN 0.786 nan 8.190 nan 0.000 0.490 470 E N 1.634 121.553 120.200 -0.468 0.000 2.421 470 E HA 0.143 4.493 4.350 0.000 0.000 0.209 470 E C 0.656 177.016 176.600 -0.400 0.000 0.871 470 E CA 0.603 56.731 56.400 -0.454 0.000 1.064 470 E CB 1.150 30.631 29.700 -0.366 0.000 1.075 470 E HN 0.875 nan 8.360 nan 0.000 0.513 471 S N -1.011 114.405 115.700 -0.474 0.000 2.685 471 S HA 0.311 4.781 4.470 0.000 0.000 0.282 471 S C 0.687 175.383 174.600 0.159 0.000 1.159 471 S CA -0.728 57.464 58.200 -0.015 0.000 0.833 471 S CB 0.741 64.048 63.200 0.178 0.000 1.151 471 S HN 0.055 nan 8.310 nan 0.000 0.485 472 L N -0.251 121.152 121.223 0.300 0.000 2.261 472 L HA 0.002 4.342 4.340 0.000 0.000 0.216 472 L C 0.929 178.234 176.870 0.724 0.000 1.114 472 L CA 1.341 56.431 54.840 0.417 0.000 0.777 472 L CB -0.572 41.672 42.059 0.309 0.000 0.910 472 L HN 0.586 nan 8.230 nan 0.000 0.440 473 F N -1.865 118.234 119.950 0.247 0.000 2.706 473 F HA 0.226 4.754 4.527 0.000 0.000 0.313 473 F C 0.926 176.908 175.800 0.304 0.000 1.096 473 F CA -0.614 57.588 58.000 0.337 0.000 1.219 473 F CB -0.057 39.144 39.000 0.335 0.000 1.051 473 F HN 0.143 nan 8.300 nan 0.000 0.568 474 H N -0.830 118.344 119.070 0.173 0.000 3.042 474 H HA 0.622 5.178 4.556 0.000 0.000 0.346 474 H C -1.557 173.693 175.328 -0.129 0.000 1.294 474 H CA -1.234 54.631 56.048 -0.305 0.000 1.141 474 H CB 1.637 30.712 29.762 -1.146 0.000 1.872 474 H HN 0.033 nan 8.280 nan 0.000 0.541 475 L N -0.711 120.396 121.223 -0.195 0.000 2.251 475 L HA 0.778 5.118 4.340 0.000 0.000 0.244 475 L C -0.621 176.208 176.870 -0.069 0.000 1.095 475 L CA -1.215 53.540 54.840 -0.142 0.000 0.910 475 L CB 2.094 44.148 42.059 -0.009 0.000 1.516 475 L HN 0.773 nan 8.230 nan 0.000 0.429 476 R N 0.023 120.490 120.500 -0.055 0.000 2.631 476 R HA 0.385 4.725 4.340 0.000 0.000 0.289 476 R C -1.051 175.265 176.300 0.028 0.000 1.303 476 R CA -0.460 55.657 56.100 0.029 0.000 0.989 476 R CB 0.456 30.773 30.300 0.028 0.000 1.208 476 R HN 0.850 nan 8.270 nan 0.000 0.461 477 H N 2.329 121.411 119.070 0.020 0.000 2.913 477 H HA -0.070 4.486 4.556 0.000 0.000 0.365 477 H C 0.721 176.068 175.328 0.032 0.000 1.155 477 H CA 1.256 57.322 56.048 0.031 0.000 1.417 477 H CB 1.054 30.838 29.762 0.036 0.000 1.386 477 H HN 0.673 nan 8.280 nan 0.000 0.614 478 E N 0.812 121.098 120.200 0.143 0.000 2.472 478 E HA -0.160 4.190 4.350 0.000 0.000 0.200 478 E C 0.416 177.077 176.600 0.103 0.000 1.046 478 E CA 1.137 57.598 56.400 0.101 0.000 0.871 478 E CB -0.093 29.665 29.700 0.097 0.000 0.806 478 E HN 0.599 nan 8.360 nan 0.000 0.533 479 D N -0.281 120.194 120.400 0.125 0.000 2.328 479 D HA 0.101 4.742 4.640 0.000 0.000 0.221 479 D C 1.357 177.701 176.300 0.073 0.000 1.072 479 D CA 0.462 54.514 54.000 0.086 0.000 0.850 479 D CB 0.457 41.300 40.800 0.071 0.000 0.922 479 D HN 0.248 nan 8.370 nan 0.000 0.516 480 G N 0.193 109.045 108.800 0.087 0.000 2.299 480 G HA2 -0.315 3.645 3.960 0.000 0.000 0.237 480 G HA3 -0.315 3.645 3.960 0.000 0.000 0.237 480 G C 0.462 175.410 174.900 0.081 0.000 1.027 480 G CA 0.297 45.440 45.100 0.072 0.000 0.619 480 G HN 0.855 nan 8.290 nan 0.000 0.513 481 S N 0.688 116.437 115.700 0.081 0.000 2.575 481 S HA 0.425 4.895 4.470 0.000 0.000 0.295 481 S C 0.776 175.447 174.600 0.117 0.000 1.267 481 S CA 0.335 58.573 58.200 0.063 0.000 1.074 481 S CB 0.773 63.961 63.200 -0.021 0.000 0.829 481 S HN 1.176 nan 8.310 nan 0.000 0.497 482 V N 4.749 124.722 119.914 0.099 0.000 2.997 482 V HA 0.592 4.712 4.120 0.000 0.000 0.311 482 V C 0.261 176.389 176.094 0.057 0.000 1.066 482 V CA -0.656 61.695 62.300 0.084 0.000 1.039 482 V CB 1.473 33.364 31.823 0.112 0.000 1.081 482 V HN 0.969 nan 8.190 nan 0.000 0.467 483 Q N 0.642 120.360 119.800 -0.136 0.000 2.352 483 Q HA 0.559 4.899 4.340 0.000 0.000 0.270 483 Q C -2.253 173.288 176.000 -0.764 0.000 1.006 483 Q CA -0.450 55.217 55.803 -0.226 0.000 0.880 483 Q CB 2.135 30.824 28.738 -0.081 0.000 1.392 483 Q HN 0.592 nan 8.270 nan 0.000 0.401 484 F N 1.578 121.168 119.950 -0.601 0.000 2.618 484 F HA 0.704 5.231 4.527 0.000 0.000 0.332 484 F C -0.682 174.579 175.800 -0.899 0.000 1.061 484 F CA -0.761 56.875 58.000 -0.607 0.000 0.974 484 F CB 1.627 40.516 39.000 -0.185 0.000 1.310 484 F HN 0.423 nan 8.300 nan 0.000 0.491 485 F N -0.632 119.446 119.950 0.213 0.000 2.578 485 F HA 0.229 4.756 4.527 0.000 0.000 0.311 485 F C 0.941 176.671 175.800 -0.116 0.000 1.094 485 F CA -0.849 57.166 58.000 0.026 0.000 0.923 485 F CB 2.182 41.168 39.000 -0.023 0.000 1.230 485 F HN 0.471 nan 8.300 nan 0.000 0.450 486 S N -0.552 115.205 115.700 0.096 0.000 2.400 486 S HA -0.082 4.388 4.470 0.000 0.000 0.232 486 S C 0.707 175.199 174.600 -0.179 0.000 1.025 486 S CA 1.332 59.515 58.200 -0.029 0.000 0.993 486 S CB -0.726 62.480 63.200 0.010 0.000 0.808 486 S HN 0.783 nan 8.310 nan 0.000 0.478 487 T N -1.271 113.168 114.554 -0.191 0.000 2.896 487 T HA 0.608 4.958 4.350 0.000 0.000 0.297 487 T C -3.490 171.025 174.700 -0.308 0.000 1.108 487 T CA -2.276 59.659 62.100 -0.275 0.000 1.004 487 T CB 1.882 70.682 68.868 -0.113 0.000 1.159 487 T HN -0.060 nan 8.240 nan 0.000 0.499 488 P HA 0.219 nan 4.420 nan 0.000 0.266 488 P C -0.291 177.049 177.300 0.068 0.000 1.195 488 P CA -0.395 62.777 63.100 0.120 0.000 0.768 488 P CB 0.568 32.452 31.700 0.305 0.000 0.838 489 L N 3.988 125.283 121.223 0.120 0.000 2.456 489 L HA 0.351 4.691 4.340 0.000 0.000 0.257 489 L C -1.624 175.271 176.870 0.042 0.000 1.162 489 L CA -2.266 52.584 54.840 0.017 0.000 0.808 489 L CB 0.007 42.068 42.059 0.003 0.000 1.136 489 L HN 0.272 nan 8.230 nan 0.000 0.466 490 P HA 0.087 nan 4.420 nan 0.000 0.267 490 P C -2.305 175.023 177.300 0.048 0.000 1.205 490 P CA -1.209 61.898 63.100 0.012 0.000 0.765 490 P CB 0.238 31.930 31.700 -0.013 0.000 0.828 491 P HA -0.210 nan 4.420 nan 0.000 0.218 491 P C 1.322 178.679 177.300 0.096 0.000 1.146 491 P CA 1.875 65.007 63.100 0.052 0.000 0.820 491 P CB -0.347 31.345 31.700 -0.012 0.000 0.778 492 A N -0.842 122.010 122.820 0.053 0.000 2.172 492 A HA -0.064 4.256 4.320 0.000 0.000 0.216 492 A C 2.008 179.620 177.584 0.047 0.000 1.154 492 A CA 1.668 53.730 52.037 0.043 0.000 0.701 492 A CB -1.202 17.805 19.000 0.011 0.000 0.789 492 A HN 0.260 nan 8.150 nan 0.000 0.465 493 V N -4.935 115.013 119.914 0.058 0.000 3.379 493 V HA 0.303 4.423 4.120 0.000 0.000 0.249 493 V C 1.041 177.158 176.094 0.039 0.000 1.184 493 V CA -0.205 62.108 62.300 0.022 0.000 1.106 493 V CB -1.307 30.506 31.823 -0.017 0.000 0.826 493 V HN 0.324 nan 8.190 nan 0.000 0.465 494 F N 3.025 122.957 119.950 -0.031 0.000 2.439 494 F HA 0.241 4.768 4.527 0.000 0.000 0.417 494 F C 1.332 177.111 175.800 -0.034 0.000 0.957 494 F CA 0.926 58.910 58.000 -0.027 0.000 1.146 494 F CB -0.078 38.914 39.000 -0.013 0.000 0.911 494 F HN 0.741 nan 8.300 nan 0.000 0.531 495 A N 3.491 125.783 122.820 -0.880 0.000 3.420 495 A HA -0.307 4.013 4.320 0.000 0.000 0.269 495 A C 1.003 178.389 177.584 -0.330 0.000 1.122 495 A CA 1.494 53.080 52.037 -0.753 0.000 1.023 495 A CB -1.943 16.421 19.000 -1.059 0.000 1.099 495 A HN 0.797 nan 8.150 nan 0.000 0.860 496 R N -0.619 119.755 120.500 -0.209 0.000 2.532 496 R HA 0.509 4.850 4.340 0.000 0.000 0.272 496 R C -0.028 176.207 176.300 -0.109 0.000 1.032 496 R CA -0.464 55.567 56.100 -0.115 0.000 1.089 496 R CB 1.013 31.276 30.300 -0.061 0.000 1.098 496 R HN 0.170 nan 8.270 nan 0.000 0.526 497 V N 2.501 122.368 119.914 -0.079 0.000 2.479 497 V HA 0.014 4.134 4.120 0.000 0.000 0.281 497 V C 0.240 176.298 176.094 -0.060 0.000 1.031 497 V CA 0.081 62.341 62.300 -0.066 0.000 1.038 497 V CB 0.399 32.197 31.823 -0.043 0.000 0.981 497 V HN 0.772 nan 8.190 nan 0.000 0.478 498 C N 4.794 124.052 119.300 -0.070 0.000 2.454 498 C HA 0.604 5.064 4.460 0.000 0.000 0.336 498 C C 0.309 175.267 174.990 -0.055 0.000 1.189 498 C CA -0.933 58.045 59.018 -0.067 0.000 1.877 498 C CB 1.591 29.281 27.740 -0.084 0.000 2.348 498 C HN 0.594 nan 8.230 nan 0.000 0.508 499 V N 2.741 122.626 119.914 -0.049 0.000 2.461 499 V HA 0.176 4.297 4.120 0.000 0.000 0.275 499 V C 0.082 176.151 176.094 -0.040 0.000 1.047 499 V CA -0.027 62.253 62.300 -0.033 0.000 0.955 499 V CB 1.414 33.203 31.823 -0.058 0.000 0.988 499 V HN 0.690 nan 8.190 nan 0.000 0.471 500 V N 6.623 126.539 119.914 0.004 0.000 2.338 500 V HA 0.207 4.328 4.120 0.000 0.000 0.255 500 V C 0.510 176.684 176.094 0.133 0.000 1.082 500 V CA -0.302 62.017 62.300 0.031 0.000 0.951 500 V CB 0.511 32.362 31.823 0.046 0.000 1.102 500 V HN 0.789 nan 8.190 nan 0.000 0.489 501 K N 3.299 123.726 120.400 0.045 0.000 2.155 501 K HA 0.594 4.914 4.320 0.000 0.000 0.237 501 K C 1.434 178.120 176.600 0.144 0.000 1.040 501 K CA 0.425 56.761 56.287 0.082 0.000 0.912 501 K CB 0.625 33.037 32.500 -0.145 0.000 1.137 501 K HN 0.456 nan 8.250 nan 0.000 0.498 502 A N 0.684 123.609 122.820 0.176 0.000 1.940 502 A HA -0.178 4.142 4.320 0.000 0.000 0.219 502 A C 0.966 178.588 177.584 0.063 0.000 1.176 502 A CA 2.338 54.443 52.037 0.114 0.000 0.631 502 A CB -0.535 18.526 19.000 0.102 0.000 0.814 502 A HN 0.838 nan 8.150 nan 0.000 0.446 503 D N -1.564 118.857 120.400 0.035 0.000 2.415 503 D HA 0.076 4.716 4.640 0.000 0.000 0.269 503 D C 0.456 176.742 176.300 -0.023 0.000 1.099 503 D CA 0.554 54.559 54.000 0.009 0.000 0.865 503 D CB -0.172 40.630 40.800 0.004 0.000 1.359 503 D HN 0.718 nan 8.370 nan 0.000 0.506 504 E N 0.645 120.824 120.200 -0.034 0.000 2.343 504 E HA 0.564 4.914 4.350 0.000 0.000 0.270 504 E C -1.249 175.305 176.600 -0.077 0.000 0.895 504 E CA -0.950 55.410 56.400 -0.066 0.000 0.767 504 E CB 2.315 31.976 29.700 -0.064 0.000 1.248 504 E HN -0.099 nan 8.360 nan 0.000 0.440 505 L N 2.309 123.472 121.223 -0.101 0.000 2.276 505 L HA 0.358 4.698 4.340 0.000 0.000 0.286 505 L C -0.822 175.996 176.870 -0.087 0.000 1.061 505 L CA -1.080 53.701 54.840 -0.099 0.000 0.807 505 L CB 1.567 43.551 42.059 -0.125 0.000 1.177 505 L HN 0.487 nan 8.230 nan 0.000 0.429 506 V N 6.086 125.949 119.914 -0.085 0.000 2.259 506 V HA 0.235 4.355 4.120 0.000 0.000 0.267 506 V C -1.887 174.169 176.094 -0.063 0.000 1.051 506 V CA -1.637 60.616 62.300 -0.078 0.000 0.830 506 V CB 0.866 32.629 31.823 -0.100 0.000 1.080 506 V HN 0.588 nan 8.190 nan 0.000 0.467 507 P HA 0.115 nan 4.420 nan 0.000 0.268 507 P C -0.610 176.668 177.300 -0.037 0.000 1.205 507 P CA -0.210 62.864 63.100 -0.044 0.000 0.771 507 P CB 1.171 32.851 31.700 -0.034 0.000 0.858 508 L N 5.364 126.566 121.223 -0.034 0.000 2.379 508 L HA 0.544 4.885 4.340 0.000 0.000 0.269 508 L C -1.698 175.157 176.870 -0.026 0.000 1.084 508 L CA -1.500 53.323 54.840 -0.028 0.000 0.802 508 L CB 0.303 42.347 42.059 -0.025 0.000 1.175 508 L HN 0.370 nan 8.230 nan 0.000 0.448 509 P HA 0.633 nan 4.420 nan 0.000 0.287 509 P C -0.361 176.923 177.300 -0.027 0.000 1.279 509 P CA -0.276 62.810 63.100 -0.023 0.000 0.867 509 P CB 1.913 33.597 31.700 -0.025 0.000 1.127 510 G N 1.803 110.589 108.800 -0.022 0.000 2.582 510 G HA2 -0.021 3.939 3.960 0.000 0.000 0.222 510 G HA3 -0.021 3.939 3.960 0.000 0.000 0.222 510 G C -0.945 173.949 174.900 -0.010 0.000 1.311 510 G CA 0.144 45.230 45.100 -0.023 0.000 0.915 510 G HN 0.699 nan 8.290 nan 0.000 0.528 511 D N -1.337 119.062 120.400 -0.002 0.000 2.712 511 D HA 0.403 5.044 4.640 0.000 0.000 0.300 511 D C 0.383 176.684 176.300 0.001 0.000 1.521 511 D CA -0.510 53.489 54.000 -0.002 0.000 0.790 511 D CB 0.162 40.968 40.800 0.010 0.000 1.155 511 D HN 0.587 nan 8.370 nan 0.000 0.456 512 L N 1.611 122.833 121.223 -0.002 0.000 2.485 512 L HA 0.480 4.820 4.340 0.000 0.000 0.275 512 L C 0.335 177.203 176.870 -0.004 0.000 1.207 512 L CA -0.203 54.638 54.840 0.002 0.000 0.855 512 L CB 0.429 42.484 42.059 -0.006 0.000 1.114 512 L HN 0.269 nan 8.230 nan 0.000 0.485 513 A N 5.014 127.835 122.820 0.002 0.000 2.340 513 A HA 0.241 4.561 4.320 0.000 0.000 0.268 513 A C 1.107 178.691 177.584 -0.001 0.000 1.100 513 A CA -0.189 51.846 52.037 -0.003 0.000 0.803 513 A CB 0.197 19.198 19.000 0.002 0.000 1.043 513 A HN 1.029 nan 8.150 nan 0.000 0.488 514 L N 0.576 121.796 121.223 -0.005 0.000 2.013 514 L HA -0.244 4.096 4.340 0.000 0.000 0.212 514 L C 2.319 179.199 176.870 0.016 0.000 1.073 514 L CA 2.396 57.238 54.840 0.003 0.000 0.753 514 L CB -0.286 41.772 42.059 -0.000 0.000 0.890 514 L HN 0.931 nan 8.230 nan 0.000 0.432 515 E N 0.174 120.382 120.200 0.015 0.000 2.058 515 E HA -0.247 4.103 4.350 0.000 0.000 0.194 515 E C 2.071 178.683 176.600 0.020 0.000 0.997 515 E CA 1.581 57.993 56.400 0.019 0.000 0.801 515 E CB -0.232 29.477 29.700 0.016 0.000 0.746 515 E HN 0.480 nan 8.360 nan 0.000 0.450 516 K N 0.539 120.949 120.400 0.016 0.000 2.025 516 K HA -0.070 4.250 4.320 0.000 0.000 0.207 516 K C 2.286 178.896 176.600 0.018 0.000 1.049 516 K CA 1.440 57.737 56.287 0.016 0.000 0.933 516 K CB -0.475 32.034 32.500 0.016 0.000 0.714 516 K HN 0.046 nan 8.250 nan 0.000 0.438 517 V N 2.049 121.973 119.914 0.018 0.000 2.255 517 V HA -0.289 3.832 4.120 0.000 0.000 0.247 517 V C 2.646 178.761 176.094 0.035 0.000 1.051 517 V CA 2.144 64.457 62.300 0.022 0.000 1.018 517 V CB -0.742 31.093 31.823 0.020 0.000 0.641 517 V HN 0.378 nan 8.190 nan 0.000 0.445 518 R N 0.737 121.261 120.500 0.040 0.000 2.096 518 R HA -0.238 4.102 4.340 0.000 0.000 0.240 518 R C 2.326 178.647 176.300 0.034 0.000 1.139 518 R CA 2.055 58.185 56.100 0.050 0.000 0.952 518 R CB -0.660 29.671 30.300 0.052 0.000 0.854 518 R HN 0.459 nan 8.270 nan 0.000 0.436 519 A N 1.246 124.081 122.820 0.025 0.000 1.903 519 A HA -0.221 4.100 4.320 0.000 0.000 0.219 519 A C 2.250 179.844 177.584 0.017 0.000 1.191 519 A CA 2.002 54.049 52.037 0.018 0.000 0.638 519 A CB -0.670 18.340 19.000 0.016 0.000 0.823 519 A HN 0.456 nan 8.150 nan 0.000 0.451 520 I N -1.373 119.209 120.570 0.020 0.000 2.202 520 I HA -0.240 3.930 4.170 0.000 0.000 0.242 520 I C 2.724 178.856 176.117 0.025 0.000 1.091 520 I CA 1.581 62.893 61.300 0.019 0.000 1.368 520 I CB -0.350 37.661 38.000 0.018 0.000 1.058 520 I HN 0.378 nan 8.210 nan 0.000 0.410 521 R N 1.189 121.711 120.500 0.037 0.000 2.103 521 R HA -0.212 4.128 4.340 0.000 0.000 0.242 521 R C 2.403 178.720 176.300 0.028 0.000 1.142 521 R CA 1.750 57.880 56.100 0.050 0.000 0.960 521 R CB -0.082 30.267 30.300 0.081 0.000 0.858 521 R HN 0.352 nan 8.270 nan 0.000 0.439 522 R N -0.283 120.222 120.500 0.009 0.000 2.062 522 R HA -0.028 4.312 4.340 0.000 0.000 0.226 522 R C 2.574 178.877 176.300 0.004 0.000 1.125 522 R CA 1.443 57.535 56.100 -0.015 0.000 0.966 522 R CB -0.300 29.985 30.300 -0.025 0.000 0.861 522 R HN 0.310 nan 8.270 nan 0.000 0.433 523 S N 1.453 117.158 115.700 0.009 0.000 2.370 523 S HA -0.181 4.289 4.470 0.000 0.000 0.226 523 S C 2.309 176.917 174.600 0.014 0.000 1.033 523 S CA 1.089 59.294 58.200 0.010 0.000 1.011 523 S CB -0.429 62.776 63.200 0.008 0.000 0.852 523 S HN 0.371 nan 8.310 nan 0.000 0.457 524 A N 3.033 125.863 122.820 0.018 0.000 1.859 524 A HA -0.205 4.115 4.320 0.000 0.000 0.217 524 A C 2.283 179.885 177.584 0.028 0.000 1.198 524 A CA 2.041 54.088 52.037 0.017 0.000 0.629 524 A CB -0.812 18.204 19.000 0.027 0.000 0.830 524 A HN 0.685 nan 8.150 nan 0.000 0.446 525 K N -0.346 120.095 120.400 0.067 0.000 2.057 525 K HA -0.167 4.153 4.320 0.000 0.000 0.207 525 K C 1.965 178.651 176.600 0.142 0.000 1.049 525 K CA 1.606 57.986 56.287 0.156 0.000 0.931 525 K CB -0.291 32.293 32.500 0.140 0.000 0.714 525 K HN 0.680 nan 8.250 nan 0.000 0.440 526 E N 0.971 121.213 120.200 0.070 0.000 2.038 526 E HA -0.174 4.176 4.350 0.000 0.000 0.195 526 E C 2.137 178.759 176.600 0.037 0.000 1.000 526 E CA 1.067 57.499 56.400 0.054 0.000 0.803 526 E CB -0.114 29.600 29.700 0.024 0.000 0.750 526 E HN 0.221 nan 8.360 nan 0.000 0.448 527 R N 0.449 120.956 120.500 0.011 0.000 2.152 527 R HA -0.104 4.236 4.340 0.000 0.000 0.232 527 R C 2.120 178.395 176.300 -0.042 0.000 1.117 527 R CA 0.826 56.918 56.100 -0.013 0.000 0.981 527 R CB -0.003 30.287 30.300 -0.017 0.000 0.870 527 R HN 0.080 nan 8.270 nan 0.000 0.451 528 V N -0.602 119.267 119.914 -0.074 0.000 2.423 528 V HA -0.079 4.041 4.120 0.000 0.000 0.233 528 V C 1.695 177.681 176.094 -0.180 0.000 1.067 528 V CA 1.237 63.416 62.300 -0.202 0.000 1.073 528 V CB -0.520 31.062 31.823 -0.402 0.000 0.715 528 V HN 0.036 nan 8.190 nan 0.000 0.485 529 F N 0.419 120.357 119.950 -0.019 0.000 2.084 529 F HA -0.101 4.426 4.527 0.000 0.000 0.296 529 F C 2.382 178.164 175.800 -0.030 0.000 1.111 529 F CA 1.457 59.442 58.000 -0.024 0.000 1.224 529 F CB -1.001 37.983 39.000 -0.026 0.000 0.991 529 F HN -0.121 nan 8.300 nan 0.000 0.471 530 V N -0.367 119.649 119.914 0.169 0.000 2.594 530 V HA -0.283 3.837 4.120 0.000 0.000 0.253 530 V C 2.093 178.205 176.094 0.031 0.000 1.069 530 V CA 2.297 64.641 62.300 0.073 0.000 1.082 530 V CB -1.090 30.760 31.823 0.045 0.000 0.680 530 V HN 0.438 nan 8.190 nan 0.000 0.469 531 T N -0.282 114.285 114.554 0.023 0.000 2.735 531 T HA -0.115 4.235 4.350 0.000 0.000 0.256 531 T C 1.874 176.571 174.700 -0.004 0.000 1.042 531 T CA 1.301 63.400 62.100 -0.002 0.000 1.147 531 T CB -0.395 68.465 68.868 -0.014 0.000 0.865 531 T HN 0.335 nan 8.240 nan 0.000 0.421 532 N N 1.529 120.227 118.700 -0.004 0.000 2.192 532 N HA -0.049 4.691 4.740 0.000 0.000 0.188 532 N C 2.012 177.532 175.510 0.017 0.000 1.013 532 N CA 1.295 54.346 53.050 0.002 0.000 0.863 532 N CB -0.609 37.874 38.487 -0.007 0.000 0.990 532 N HN 0.442 nan 8.380 nan 0.000 0.430 533 A N 1.309 124.149 122.820 0.034 0.000 1.859 533 A HA -0.130 4.190 4.320 0.000 0.000 0.217 533 A C 2.332 179.897 177.584 -0.031 0.000 1.198 533 A CA 1.125 53.170 52.037 0.013 0.000 0.629 533 A CB -0.897 18.112 19.000 0.015 0.000 0.830 533 A HN 0.268 nan 8.150 nan 0.000 0.446 534 L N -1.412 119.781 121.223 -0.050 0.000 2.131 534 L HA -0.194 4.147 4.340 0.000 0.000 0.210 534 L C 2.816 179.657 176.870 -0.047 0.000 1.092 534 L CA 1.743 56.531 54.840 -0.086 0.000 0.759 534 L CB -0.599 41.410 42.059 -0.083 0.000 0.903 534 L HN 0.495 nan 8.230 nan 0.000 0.435 535 R N 0.085 120.572 120.500 -0.022 0.000 2.088 535 R HA -0.187 4.153 4.340 0.000 0.000 0.232 535 R C 2.415 178.713 176.300 -0.003 0.000 1.136 535 R CA 1.773 57.868 56.100 -0.007 0.000 0.926 535 R CB -0.318 29.981 30.300 -0.002 0.000 0.837 535 R HN 0.328 nan 8.270 nan 0.000 0.429 536 A N 0.929 123.749 122.820 0.000 0.000 1.849 536 A HA -0.203 4.117 4.320 0.000 0.000 0.217 536 A C 2.231 179.815 177.584 -0.000 0.000 1.202 536 A CA 1.690 53.731 52.037 0.007 0.000 0.629 536 A CB -0.983 18.022 19.000 0.009 0.000 0.834 536 A HN 0.373 nan 8.150 nan 0.000 0.447 537 L N -1.303 119.910 121.223 -0.017 0.000 2.137 537 L HA -0.239 4.102 4.340 0.000 0.000 0.213 537 L C 2.821 179.681 176.870 -0.017 0.000 1.085 537 L CA 1.833 56.658 54.840 -0.025 0.000 0.760 537 L CB -0.349 41.672 42.059 -0.064 0.000 0.893 537 L HN 0.414 nan 8.230 nan 0.000 0.434 538 R N -0.797 119.693 120.500 -0.017 0.000 2.093 538 R HA -0.115 4.225 4.340 0.000 0.000 0.224 538 R C 2.365 178.673 176.300 0.013 0.000 1.101 538 R CA 0.970 57.070 56.100 0.001 0.000 0.979 538 R CB 0.017 30.319 30.300 0.003 0.000 0.877 538 R HN 0.425 nan 8.270 nan 0.000 0.441 539 Q N -0.436 119.371 119.800 0.013 0.000 2.002 539 Q HA -0.156 4.184 4.340 0.000 0.000 0.204 539 Q C 2.049 178.062 176.000 0.021 0.000 0.988 539 Q CA 2.212 58.026 55.803 0.019 0.000 0.843 539 Q CB -0.020 28.732 28.738 0.022 0.000 0.908 539 Q HN 0.358 nan 8.270 nan 0.000 0.420 540 V N -2.624 117.303 119.914 0.021 0.000 3.307 540 V HA 0.120 4.240 4.120 0.000 0.000 0.253 540 V C 1.031 177.140 176.094 0.025 0.000 1.149 540 V CA 0.033 62.348 62.300 0.025 0.000 1.112 540 V CB 0.389 32.229 31.823 0.028 0.000 0.777 540 V HN 0.151 nan 8.190 nan 0.000 0.464 541 S N 2.164 117.877 115.700 0.023 0.000 2.558 541 S HA 0.178 4.648 4.470 0.000 0.000 0.287 541 S C -2.254 172.362 174.600 0.028 0.000 1.321 541 S CA -0.447 57.769 58.200 0.027 0.000 1.048 541 S CB 0.039 63.254 63.200 0.026 0.000 0.844 541 S HN 0.433 nan 8.310 nan 0.000 0.512 542 P HA -0.052 nan 4.420 nan 0.000 0.245 542 P C 0.015 177.331 177.300 0.026 0.000 1.123 542 P CA 0.603 63.719 63.100 0.027 0.000 0.853 542 P CB -0.814 30.903 31.700 0.028 0.000 0.786 543 T N 2.408 116.976 114.554 0.023 0.000 2.308 543 T HA 0.177 4.527 4.350 0.000 0.000 0.204 543 T C 1.091 175.806 174.700 0.025 0.000 1.089 543 T CA 0.447 62.560 62.100 0.023 0.000 1.419 543 T CB -0.862 68.018 68.868 0.019 0.000 1.041 543 T HN 0.787 nan 8.240 nan 0.000 0.458 544 G N 3.614 112.431 108.800 0.029 0.000 2.113 544 G HA2 -0.091 3.869 3.960 0.000 0.000 0.082 544 G HA3 -0.091 3.869 3.960 0.000 0.000 0.082 544 G C -0.687 174.240 174.900 0.045 0.000 1.155 544 G CA -0.665 44.456 45.100 0.035 0.000 1.241 544 G HN 0.782 nan 8.290 nan 0.000 0.453 545 N N 1.846 120.578 118.700 0.054 0.000 2.414 545 N HA 0.103 4.843 4.740 0.000 0.000 0.268 545 N C 1.763 177.318 175.510 0.075 0.000 1.286 545 N CA 0.330 53.428 53.050 0.080 0.000 0.896 545 N CB 0.907 39.440 38.487 0.077 0.000 1.093 545 N HN 0.442 nan 8.380 nan 0.000 0.480 546 I N 1.881 122.498 120.570 0.079 0.000 2.597 546 I HA -0.303 3.868 4.170 0.000 0.000 0.262 546 I C 1.993 178.150 176.117 0.067 0.000 1.194 546 I CA 0.956 62.269 61.300 0.022 0.000 1.437 546 I CB -0.132 37.801 38.000 -0.110 0.000 1.096 546 I HN 0.344 nan 8.210 nan 0.000 0.451 547 R N 0.709 121.293 120.500 0.140 0.000 2.241 547 R HA -0.152 4.188 4.340 0.000 0.000 0.224 547 R C 0.735 177.081 176.300 0.077 0.000 1.101 547 R CA 1.209 57.396 56.100 0.146 0.000 0.995 547 R CB -0.621 29.756 30.300 0.130 0.000 0.870 547 R HN 0.484 nan 8.270 nan 0.000 0.463 548 D N -0.133 120.303 120.400 0.060 0.000 2.349 548 D HA 0.167 4.807 4.640 0.000 0.000 0.214 548 D C -0.106 176.224 176.300 0.051 0.000 1.063 548 D CA 0.260 54.290 54.000 0.049 0.000 0.847 548 D CB 0.428 41.255 40.800 0.045 0.000 0.933 548 D HN 0.074 nan 8.370 nan 0.000 0.513 549 I N 1.829 122.426 120.570 0.046 0.000 2.405 549 I HA 0.193 4.363 4.170 0.000 0.000 0.280 549 I C -1.544 174.596 176.117 0.038 0.000 1.027 549 I CA -1.830 59.508 61.300 0.063 0.000 1.161 549 I CB 1.967 40.000 38.000 0.056 0.000 1.300 549 I HN -0.200 nan 8.210 nan 0.000 0.463 550 P HA -0.075 nan 4.420 nan 0.000 0.222 550 P C 0.004 177.059 177.300 -0.407 0.000 1.147 550 P CA 1.204 64.190 63.100 -0.190 0.000 0.790 550 P CB 0.108 31.681 31.700 -0.211 0.000 0.780 551 F N -0.405 119.548 119.950 0.004 0.000 2.477 551 F HA 0.344 4.871 4.527 0.000 0.000 0.335 551 F C -0.018 175.778 175.800 -0.008 0.000 1.130 551 F CA -1.145 56.855 58.000 -0.001 0.000 0.948 551 F CB 2.063 41.064 39.000 0.000 0.000 1.154 551 F HN -0.428 nan 8.300 nan 0.000 0.439 552 V N 4.296 124.287 119.914 0.128 0.000 2.495 552 V HA 0.602 4.722 4.120 0.000 0.000 0.298 552 V C -0.659 175.478 176.094 0.072 0.000 1.031 552 V CA -0.856 61.488 62.300 0.072 0.000 0.871 552 V CB 2.048 33.879 31.823 0.013 0.000 0.988 552 V HN 0.472 nan 8.190 nan 0.000 0.432 553 V N 5.921 125.867 119.914 0.053 0.000 2.444 553 V HA 0.472 4.592 4.120 0.000 0.000 0.294 553 V C -0.283 175.814 176.094 0.006 0.000 1.022 553 V CA -0.532 61.789 62.300 0.035 0.000 0.850 553 V CB 1.746 33.590 31.823 0.035 0.000 0.992 553 V HN 0.641 nan 8.190 nan 0.000 0.426 554 L N 6.313 127.530 121.223 -0.011 0.000 2.276 554 L HA 0.783 5.123 4.340 0.000 0.000 0.286 554 L C -0.056 176.793 176.870 -0.036 0.000 1.061 554 L CA -0.503 54.316 54.840 -0.034 0.000 0.807 554 L CB 1.315 43.337 42.059 -0.061 0.000 1.177 554 L HN 0.592 nan 8.230 nan 0.000 0.429 555 V N -0.350 119.542 119.914 -0.037 0.000 3.156 555 V HA 1.066 5.186 4.120 0.000 0.000 0.310 555 V C 0.142 176.212 176.094 -0.039 0.000 1.234 555 V CA -0.316 61.964 62.300 -0.034 0.000 1.065 555 V CB 1.237 33.048 31.823 -0.019 0.000 1.088 555 V HN 1.008 nan 8.190 nan 0.000 0.451 556 G N -0.787 107.996 108.800 -0.028 0.000 2.699 556 G HA2 0.309 4.270 3.960 0.000 0.000 0.686 556 G HA3 0.309 4.270 3.960 0.000 0.000 0.686 556 G C 0.589 175.472 174.900 -0.028 0.000 1.301 556 G CA -0.163 44.925 45.100 -0.020 0.000 0.816 556 G HN 2.000 nan 8.290 nan 0.000 0.595 557 G N -0.206 108.589 108.800 -0.009 0.000 2.476 557 G HA2 -0.065 3.895 3.960 0.000 0.000 0.218 557 G HA3 -0.065 3.895 3.960 0.000 0.000 0.218 557 G C 2.146 177.028 174.900 -0.030 0.000 1.164 557 G CA 2.178 47.274 45.100 -0.007 0.000 0.768 557 G HN 1.506 nan 8.290 nan 0.000 0.560 558 S N 0.694 116.365 115.700 -0.048 0.000 2.442 558 S HA -0.123 4.347 4.470 0.000 0.000 0.236 558 S C 2.573 177.030 174.600 -0.238 0.000 1.007 558 S CA 1.405 59.516 58.200 -0.149 0.000 0.965 558 S CB -0.253 62.793 63.200 -0.256 0.000 0.773 558 S HN 0.669 nan 8.310 nan 0.000 0.504 559 S N 0.713 116.304 115.700 -0.181 0.000 2.547 559 S HA 0.079 4.549 4.470 0.000 0.000 0.235 559 S C 1.089 175.630 174.600 -0.098 0.000 0.980 559 S CA 0.489 58.596 58.200 -0.156 0.000 0.941 559 S CB -0.289 62.848 63.200 -0.105 0.000 0.763 559 S HN 0.388 nan 8.310 nan 0.000 0.532 560 L N 1.534 122.715 121.223 -0.071 0.000 2.818 560 L HA 0.388 4.728 4.340 0.000 0.000 0.243 560 L C 0.411 177.276 176.870 -0.010 0.000 1.185 560 L CA -0.145 54.674 54.840 -0.036 0.000 0.988 560 L CB 0.179 42.223 42.059 -0.025 0.000 1.292 560 L HN 0.200 nan 8.230 nan 0.000 0.519 561 D N 0.237 120.622 120.400 -0.024 0.000 2.414 561 D HA -0.102 4.538 4.640 0.000 0.000 0.242 561 D C 1.183 177.540 176.300 0.094 0.000 1.129 561 D CA -0.144 53.888 54.000 0.054 0.000 0.885 561 D CB 0.844 41.617 40.800 -0.044 0.000 1.198 561 D HN 0.256 nan 8.370 nan 0.000 0.437 562 F N 0.858 120.758 119.950 -0.083 0.000 2.771 562 F HA 0.172 4.699 4.527 0.000 0.000 0.299 562 F C 1.110 176.880 175.800 -0.049 0.000 1.177 562 F CA 0.186 58.144 58.000 -0.070 0.000 1.450 562 F CB 0.176 39.131 39.000 -0.075 0.000 1.114 562 F HN 0.306 nan 8.300 nan 0.000 0.587 563 E N 0.153 120.052 120.200 -0.502 0.000 2.475 563 E HA 0.031 4.381 4.350 0.000 0.000 0.205 563 E C 2.149 178.593 176.600 -0.259 0.000 0.822 563 E CA 0.474 56.579 56.400 -0.491 0.000 1.240 563 E CB -0.105 29.169 29.700 -0.710 0.000 1.222 563 E HN 0.246 nan 8.360 nan 0.000 0.581 564 V N 2.895 122.668 119.914 -0.234 0.000 2.324 564 V HA -0.202 3.918 4.120 0.000 0.000 0.250 564 V C -0.846 175.133 176.094 -0.192 0.000 1.060 564 V CA 2.363 64.526 62.300 -0.228 0.000 1.042 564 V CB -1.434 30.147 31.823 -0.404 0.000 0.650 564 V HN 0.148 nan 8.190 nan 0.000 0.450 565 P HA -0.173 nan 4.420 nan 0.000 0.212 565 P C 1.807 179.055 177.300 -0.087 0.000 1.180 565 P CA 1.411 64.439 63.100 -0.120 0.000 0.906 565 P CB -0.284 31.360 31.700 -0.094 0.000 0.782 566 Q N -0.277 119.473 119.800 -0.082 0.000 2.197 566 Q HA -0.177 4.163 4.340 0.000 0.000 0.207 566 Q C 2.286 178.252 176.000 -0.056 0.000 0.984 566 Q CA 1.365 57.132 55.803 -0.061 0.000 0.869 566 Q CB -1.556 27.143 28.738 -0.064 0.000 0.906 566 Q HN 0.321 nan 8.270 nan 0.000 0.426 567 L N 0.484 121.662 121.223 -0.074 0.000 2.141 567 L HA -0.138 4.202 4.340 0.000 0.000 0.209 567 L C 2.278 179.132 176.870 -0.027 0.000 1.094 567 L CA 0.631 55.440 54.840 -0.051 0.000 0.763 567 L CB 0.039 42.062 42.059 -0.061 0.000 0.908 567 L HN 0.055 nan 8.230 nan 0.000 0.437 568 V N -1.752 118.139 119.914 -0.038 0.000 2.446 568 V HA -0.193 3.927 4.120 0.000 0.000 0.244 568 V C 2.415 178.497 176.094 -0.020 0.000 1.039 568 V CA 1.773 64.058 62.300 -0.024 0.000 1.045 568 V CB -0.306 31.493 31.823 -0.039 0.000 0.681 568 V HN 0.383 nan 8.190 nan 0.000 0.459 569 T N 0.028 114.566 114.554 -0.026 0.000 2.597 569 T HA -0.294 4.056 4.350 0.000 0.000 0.267 569 T C 1.846 176.547 174.700 0.002 0.000 1.053 569 T CA 2.216 64.306 62.100 -0.016 0.000 1.165 569 T CB -0.480 68.376 68.868 -0.020 0.000 0.863 569 T HN 0.510 nan 8.240 nan 0.000 0.427 570 D N 0.633 121.035 120.400 0.003 0.000 2.133 570 D HA -0.112 4.529 4.640 0.000 0.000 0.195 570 D C 2.176 178.509 176.300 0.055 0.000 0.997 570 D CA 1.562 55.576 54.000 0.022 0.000 0.840 570 D CB -0.296 40.511 40.800 0.012 0.000 0.947 570 D HN 0.424 nan 8.370 nan 0.000 0.452 571 A N 0.438 123.286 122.820 0.045 0.000 1.843 571 A HA -0.010 4.310 4.320 0.000 0.000 0.213 571 A C 2.585 180.232 177.584 0.106 0.000 1.202 571 A CA 0.706 52.786 52.037 0.072 0.000 0.607 571 A CB -0.953 18.066 19.000 0.032 0.000 0.847 571 A HN 0.321 nan 8.150 nan 0.000 0.445 572 L N -0.307 120.933 121.223 0.028 0.000 2.349 572 L HA -0.195 4.146 4.340 0.000 0.000 0.220 572 L C 2.741 179.665 176.870 0.090 0.000 1.130 572 L CA 0.727 55.556 54.840 -0.017 0.000 0.791 572 L CB -0.308 41.710 42.059 -0.068 0.000 0.918 572 L HN 0.481 nan 8.230 nan 0.000 0.444 573 A N -1.651 121.226 122.820 0.095 0.000 2.209 573 A HA -0.224 4.096 4.320 0.000 0.000 0.212 573 A C 2.070 179.734 177.584 0.135 0.000 1.158 573 A CA 0.815 52.901 52.037 0.083 0.000 0.742 573 A CB -0.711 18.314 19.000 0.042 0.000 0.790 573 A HN 0.474 nan 8.150 nan 0.000 0.472 574 H N -1.323 117.846 119.070 0.164 0.000 2.529 574 H HA 0.074 4.630 4.556 0.000 0.000 0.277 574 H C -0.408 175.014 175.328 0.156 0.000 0.999 574 H CA 0.623 56.762 56.048 0.151 0.000 1.256 574 H CB -0.025 29.836 29.762 0.165 0.000 1.402 574 H HN 0.587 nan 8.280 nan 0.000 0.566 575 Y N -0.603 119.751 120.300 0.089 0.000 2.568 575 Y HA 0.244 4.795 4.550 0.000 0.000 0.327 575 Y C 1.485 177.365 175.900 -0.032 0.000 1.163 575 Y CA -1.285 56.834 58.100 0.032 0.000 1.219 575 Y CB 0.881 39.369 38.460 0.047 0.000 1.308 575 Y HN -0.223 nan 8.280 nan 0.000 0.503 576 R N 0.573 121.140 120.500 0.112 0.000 2.355 576 R HA -0.070 4.270 4.340 0.000 0.000 0.219 576 R C -0.438 175.845 176.300 -0.028 0.000 1.107 576 R CA 0.378 56.484 56.100 0.011 0.000 1.021 576 R CB -1.313 28.981 30.300 -0.010 0.000 0.852 576 R HN 0.462 nan 8.270 nan 0.000 0.475 577 L N -2.787 118.435 121.223 -0.001 0.000 2.456 577 L HA 0.374 4.715 4.340 0.000 0.000 0.257 577 L C 0.022 176.817 176.870 -0.125 0.000 1.162 577 L CA -0.956 53.828 54.840 -0.094 0.000 0.808 577 L CB 0.400 42.419 42.059 -0.068 0.000 1.136 577 L HN -0.335 nan 8.230 nan 0.000 0.466 578 V N 1.233 121.018 119.914 -0.216 0.000 2.328 578 V HA 0.845 4.965 4.120 0.000 0.000 0.278 578 V C 0.351 176.401 176.094 -0.075 0.000 1.021 578 V CA 0.030 62.222 62.300 -0.180 0.000 0.838 578 V CB 0.273 31.891 31.823 -0.342 0.000 0.999 578 V HN 1.188 nan 8.190 nan 0.000 0.447 579 A N 3.699 126.498 122.820 -0.036 0.000 2.454 579 A HA 1.075 5.396 4.320 0.000 0.000 0.302 579 A C -0.003 177.577 177.584 -0.007 0.000 1.079 579 A CA -0.064 51.965 52.037 -0.013 0.000 0.731 579 A CB 2.209 21.193 19.000 -0.027 0.000 1.299 579 A HN 1.578 nan 8.150 nan 0.000 0.413 580 G N -0.082 108.715 108.800 -0.005 0.000 2.337 580 G HA2 0.421 4.381 3.960 0.000 0.000 0.298 580 G HA3 0.421 4.381 3.960 0.000 0.000 0.298 580 G C -0.985 173.906 174.900 -0.015 0.000 1.335 580 G CA -0.864 44.228 45.100 -0.013 0.000 0.875 580 G HN 0.855 nan 8.290 nan 0.000 0.579 581 R N -0.072 120.415 120.500 -0.023 0.000 2.570 581 R HA 0.449 4.789 4.340 0.000 0.000 0.277 581 R C 1.057 177.352 176.300 -0.008 0.000 1.039 581 R CA 0.737 56.822 56.100 -0.025 0.000 1.065 581 R CB 0.162 30.445 30.300 -0.027 0.000 0.964 581 R HN 0.879 nan 8.270 nan 0.000 0.428 582 G N 1.562 110.357 108.800 -0.008 0.000 2.562 582 G HA2 0.061 4.021 3.960 0.000 0.000 0.275 582 G HA3 0.061 4.021 3.960 0.000 0.000 0.275 582 G C -0.498 174.401 174.900 -0.002 0.000 1.196 582 G CA -0.384 44.717 45.100 0.001 0.000 0.908 582 G HN 0.642 nan 8.290 nan 0.000 0.524 583 N N -0.065 118.635 118.700 0.001 0.000 2.726 583 N HA 0.147 4.887 4.740 0.000 0.000 0.253 583 N C -0.602 174.906 175.510 -0.002 0.000 1.530 583 N CA -0.615 52.434 53.050 -0.002 0.000 0.772 583 N CB 0.146 38.633 38.487 0.000 0.000 1.220 583 N HN 0.172 nan 8.380 nan 0.000 0.508 584 I N 2.065 122.634 120.570 -0.003 0.000 2.821 584 I HA -0.036 4.134 4.170 0.000 0.000 0.294 584 I C 1.361 177.476 176.117 -0.002 0.000 1.210 584 I CA 0.863 62.162 61.300 -0.002 0.000 1.430 584 I CB 0.046 38.046 38.000 0.000 0.000 1.356 584 I HN 0.493 nan 8.210 nan 0.000 0.563 585 R N 4.051 124.550 120.500 -0.001 0.000 3.863 585 R HA -0.242 4.098 4.340 0.000 0.000 0.313 585 R C 1.285 177.581 176.300 -0.006 0.000 1.202 585 R CA 0.636 56.735 56.100 -0.002 0.000 0.852 585 R CB -2.132 28.167 30.300 -0.001 0.000 1.292 585 R HN 1.171 nan 8.270 nan 0.000 0.519 586 G N -1.237 107.560 108.800 -0.005 0.000 2.196 586 G HA2 -0.422 3.538 3.960 0.000 0.000 0.268 586 G HA3 -0.422 3.538 3.960 0.000 0.000 0.268 586 G C 0.636 175.531 174.900 -0.008 0.000 0.975 586 G CA 1.195 46.291 45.100 -0.005 0.000 0.648 586 G HN 0.857 nan 8.290 nan 0.000 0.538 587 S N -2.004 113.690 115.700 -0.011 0.000 2.589 587 S HA 0.342 4.813 4.470 0.000 0.000 0.235 587 S C 1.333 175.924 174.600 -0.015 0.000 1.051 587 S CA 0.720 58.911 58.200 -0.016 0.000 0.978 587 S CB 0.405 63.590 63.200 -0.025 0.000 0.929 587 S HN 0.192 nan 8.310 nan 0.000 0.523 588 E N 1.543 121.736 120.200 -0.012 0.000 2.340 588 E HA 0.382 4.732 4.350 0.000 0.000 0.198 588 E C 1.289 177.884 176.600 -0.009 0.000 0.961 588 E CA 0.810 57.204 56.400 -0.010 0.000 0.905 588 E CB 0.485 30.180 29.700 -0.008 0.000 0.884 588 E HN 0.620 nan 8.360 nan 0.000 0.491 589 G N 2.031 110.826 108.800 -0.008 0.000 2.660 589 G HA2 -0.186 3.774 3.960 0.000 0.000 0.215 589 G HA3 -0.186 3.774 3.960 0.000 0.000 0.215 589 G C -2.259 172.636 174.900 -0.009 0.000 1.345 589 G CA -0.197 44.898 45.100 -0.009 0.000 0.877 589 G HN -0.009 nan 8.290 nan 0.000 0.549 590 P HA 0.116 nan 4.420 nan 0.000 0.263 590 P C 0.137 177.429 177.300 -0.013 0.000 1.386 590 P CA 0.508 63.599 63.100 -0.015 0.000 0.797 590 P CB -0.119 31.567 31.700 -0.025 0.000 1.381 591 R N 0.127 120.622 120.500 -0.009 0.000 2.720 591 R HA 0.311 4.651 4.340 0.000 0.000 0.272 591 R C 0.815 177.114 176.300 -0.002 0.000 0.991 591 R CA -0.864 55.233 56.100 -0.005 0.000 1.010 591 R CB -0.211 30.086 30.300 -0.004 0.000 1.141 591 R HN 0.029 nan 8.270 nan 0.000 0.494 592 N N -0.780 117.920 118.700 0.000 0.000 2.979 592 N HA -0.219 4.521 4.740 0.000 0.000 0.234 592 N C 0.655 176.168 175.510 0.006 0.000 0.938 592 N CA 0.822 53.874 53.050 0.003 0.000 0.961 592 N CB -0.527 37.962 38.487 0.003 0.000 1.089 592 N HN 0.712 nan 8.380 nan 0.000 0.576 593 A N 0.537 123.359 122.820 0.004 0.000 1.892 593 A HA -0.094 4.226 4.320 0.000 0.000 0.218 593 A C 2.218 179.809 177.584 0.012 0.000 1.188 593 A CA 2.319 54.360 52.037 0.007 0.000 0.631 593 A CB -0.654 18.348 19.000 0.003 0.000 0.822 593 A HN 0.218 nan 8.150 nan 0.000 0.447 594 V N -0.433 119.488 119.914 0.011 0.000 2.453 594 V HA -0.145 3.976 4.120 0.000 0.000 0.247 594 V C 3.018 179.122 176.094 0.016 0.000 1.048 594 V CA 1.661 63.971 62.300 0.016 0.000 1.049 594 V CB -1.213 30.620 31.823 0.015 0.000 0.672 594 V HN 0.623 nan 8.190 nan 0.000 0.457 595 A N -0.028 122.799 122.820 0.011 0.000 1.908 595 A HA -0.235 4.085 4.320 0.000 0.000 0.218 595 A C 2.406 179.997 177.584 0.012 0.000 1.181 595 A CA 2.612 54.653 52.037 0.006 0.000 0.627 595 A CB -0.974 18.027 19.000 0.002 0.000 0.818 595 A HN 0.485 nan 8.150 nan 0.000 0.445 596 T N -0.349 114.216 114.554 0.018 0.000 2.777 596 T HA 0.002 4.353 4.350 0.000 0.000 0.266 596 T C 1.988 176.713 174.700 0.042 0.000 1.040 596 T CA 1.294 63.411 62.100 0.028 0.000 1.141 596 T CB -0.634 68.249 68.868 0.025 0.000 0.868 596 T HN 0.603 nan 8.240 nan 0.000 0.444 597 G N 1.818 110.640 108.800 0.037 0.000 2.469 597 G HA2 -0.208 3.752 3.960 0.000 0.000 0.219 597 G HA3 -0.208 3.752 3.960 0.000 0.000 0.219 597 G C 1.421 176.361 174.900 0.066 0.000 1.150 597 G CA 0.683 45.810 45.100 0.047 0.000 0.763 597 G HN 0.335 nan 8.290 nan 0.000 0.561 598 L N 0.683 121.939 121.223 0.054 0.000 2.079 598 L HA 0.063 4.404 4.340 0.000 0.000 0.210 598 L C 2.786 179.721 176.870 0.107 0.000 1.081 598 L CA 1.054 55.932 54.840 0.064 0.000 0.752 598 L CB -0.518 41.553 42.059 0.021 0.000 0.896 598 L HN 0.265 nan 8.230 nan 0.000 0.433 599 I N -1.661 118.963 120.570 0.090 0.000 2.761 599 I HA -0.220 3.950 4.170 0.000 0.000 0.261 599 I C 2.092 178.360 176.117 0.251 0.000 1.198 599 I CA 0.522 61.907 61.300 0.143 0.000 1.482 599 I CB -0.059 37.983 38.000 0.070 0.000 1.100 599 I HN 0.229 nan 8.210 nan 0.000 0.445 600 L N 0.289 121.623 121.223 0.185 0.000 2.068 600 L HA -0.109 4.231 4.340 0.000 0.000 0.204 600 L C 2.781 179.766 176.870 0.193 0.000 1.076 600 L CA 1.413 56.364 54.840 0.185 0.000 0.753 600 L CB -0.677 41.450 42.059 0.112 0.000 0.910 600 L HN 0.289 nan 8.230 nan 0.000 0.439 601 S N -0.870 114.930 115.700 0.167 0.000 2.442 601 S HA -0.236 4.234 4.470 0.000 0.000 0.236 601 S C 1.648 176.367 174.600 0.198 0.000 1.007 601 S CA 0.592 58.879 58.200 0.144 0.000 0.965 601 S CB -0.640 62.630 63.200 0.116 0.000 0.773 601 S HN 0.618 nan 8.310 nan 0.000 0.504 602 W N 1.561 122.893 121.300 0.053 0.000 2.523 602 W HA 0.165 4.826 4.660 0.001 0.000 0.278 602 W C 2.119 178.690 176.519 0.086 0.000 1.236 602 W CA 0.946 58.318 57.345 0.045 0.000 1.306 602 W CB -0.427 29.040 29.460 0.012 0.000 1.101 602 W HN 0.345 nan 8.180 nan 0.000 0.577 603 H N 0.765 119.819 119.070 -0.026 0.000 2.521 603 H HA 0.028 4.584 4.556 0.000 0.000 0.286 603 H C 1.323 176.518 175.328 -0.221 0.000 1.034 603 H CA 1.245 57.141 56.048 -0.252 0.000 1.278 603 H CB 0.049 29.786 29.762 -0.043 0.000 1.386 603 H HN 0.220 nan 8.280 nan 0.000 0.567 604 K N 0.350 120.749 120.400 -0.001 0.000 2.374 604 K HA 0.048 4.369 4.320 0.000 0.000 0.196 604 K C -0.039 176.519 176.600 -0.068 0.000 1.023 604 K CA -0.007 56.252 56.287 -0.045 0.000 1.103 604 K CB 0.890 33.386 32.500 -0.008 0.000 0.848 604 K HN 0.168 nan 8.250 nan 0.000 0.528 605 E N 0.000 120.126 120.200 -0.123 0.000 2.725 605 E HA 0.000 4.350 4.350 0.000 0.000 0.291 605 E CA 0.000 56.334 56.400 -0.111 0.000 0.976 605 E CB 0.000 29.620 29.700 -0.134 0.000 0.812 605 E HN 0.000 nan 8.360 nan 0.000 0.440