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 2nwc_1_H DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.582 177.584 -0.004 0.000 1.274 2 A CA 0.000 52.034 52.037 -0.006 0.000 0.836 2 A CB 0.000 18.993 19.000 -0.011 0.000 0.831 3 A N 2.300 125.120 122.820 0.000 0.000 2.531 3 A HA 0.525 4.845 4.320 0.000 0.000 0.236 3 A C 0.307 177.892 177.584 0.002 0.000 1.062 3 A CA 0.423 52.464 52.037 0.006 0.000 0.760 3 A CB 0.017 19.023 19.000 0.011 0.000 0.995 3 A HN 0.633 nan 8.150 nan 0.000 0.501 4 K N 1.182 121.588 120.400 0.009 0.000 2.221 4 K HA 0.404 4.724 4.320 0.000 0.000 0.243 4 K C -1.273 175.346 176.600 0.031 0.000 0.968 4 K CA -0.723 55.566 56.287 0.003 0.000 0.846 4 K CB 1.601 34.100 32.500 -0.001 0.000 1.141 4 K HN 0.704 nan 8.250 nan 0.000 0.434 5 D N 1.334 121.757 120.400 0.039 0.000 2.349 5 D HA 0.274 4.914 4.640 0.000 0.000 0.232 5 D C -1.189 175.252 176.300 0.235 0.000 1.071 5 D CA -0.528 53.561 54.000 0.147 0.000 0.832 5 D CB 1.055 41.975 40.800 0.200 0.000 1.086 5 D HN 0.049 nan 8.370 nan 0.000 0.504 6 V N 4.471 124.471 119.914 0.143 0.000 2.384 6 V HA 0.426 4.546 4.120 0.000 0.000 0.287 6 V C 0.345 176.327 176.094 -0.187 0.000 1.020 6 V CA -0.729 61.556 62.300 -0.025 0.000 0.850 6 V CB 1.513 33.265 31.823 -0.118 0.000 0.987 6 V HN 0.333 nan 8.190 nan 0.000 0.436 7 K N 3.512 123.713 120.400 -0.332 0.000 2.259 7 K HA 0.744 5.064 4.320 0.000 0.000 0.249 7 K C -1.491 174.785 176.600 -0.541 0.000 0.942 7 K CA -0.479 55.533 56.287 -0.458 0.000 0.816 7 K CB 2.125 34.167 32.500 -0.763 0.000 1.155 7 K HN 0.465 nan 8.250 nan 0.000 0.428 8 F N -0.017 119.882 119.950 -0.085 0.000 2.556 8 F HA 0.386 4.913 4.527 0.000 0.000 0.327 8 F C 1.371 177.142 175.800 -0.048 0.000 1.059 8 F CA 0.059 58.033 58.000 -0.043 0.000 0.953 8 F CB 1.482 40.465 39.000 -0.028 0.000 1.227 8 F HN 0.813 nan 8.300 nan 0.000 0.478 9 G N 1.646 110.561 108.800 0.191 0.000 2.685 9 G HA2 -0.474 3.486 3.960 0.000 0.000 0.357 9 G HA3 -0.474 3.486 3.960 0.000 0.000 0.357 9 G C 1.358 176.283 174.900 0.043 0.000 1.272 9 G CA 1.116 46.273 45.100 0.096 0.000 0.972 9 G HN 0.796 nan 8.290 nan 0.000 0.550 10 N N 0.478 119.196 118.700 0.030 0.000 2.166 10 N HA -0.154 4.586 4.740 0.000 0.000 0.186 10 N C 1.876 177.379 175.510 -0.012 0.000 1.019 10 N CA 1.961 55.016 53.050 0.008 0.000 0.856 10 N CB -0.257 38.234 38.487 0.006 0.000 0.993 10 N HN 0.536 nan 8.380 nan 0.000 0.426 11 D N 0.602 120.991 120.400 -0.019 0.000 2.104 11 D HA -0.080 4.560 4.640 0.000 0.000 0.194 11 D C 1.817 178.044 176.300 -0.122 0.000 0.994 11 D CA 1.416 55.377 54.000 -0.065 0.000 0.830 11 D CB -0.283 40.479 40.800 -0.064 0.000 0.959 11 D HN 0.362 nan 8.370 nan 0.000 0.452 12 A N 0.298 123.046 122.820 -0.120 0.000 1.933 12 A HA -0.131 4.189 4.320 0.000 0.000 0.218 12 A C 2.342 179.892 177.584 -0.057 0.000 1.175 12 A CA 1.302 53.253 52.037 -0.144 0.000 0.628 12 A CB -0.434 18.503 19.000 -0.104 0.000 0.814 12 A HN 0.192 nan 8.150 nan 0.000 0.444 13 R N -0.472 120.013 120.500 -0.026 0.000 2.090 13 R HA -0.079 4.261 4.340 0.000 0.000 0.228 13 R C 2.180 178.478 176.300 -0.002 0.000 1.110 13 R CA 1.441 57.540 56.100 -0.003 0.000 0.973 13 R CB -0.489 29.814 30.300 0.006 0.000 0.869 13 R HN 0.591 nan 8.270 nan 0.000 0.440 14 V N -0.574 119.332 119.914 -0.014 0.000 2.515 14 V HA -0.134 3.987 4.120 0.000 0.000 0.250 14 V C 1.912 178.005 176.094 -0.002 0.000 1.058 14 V CA 1.352 63.647 62.300 -0.008 0.000 1.064 14 V CB -0.326 31.489 31.823 -0.012 0.000 0.675 14 V HN 0.068 nan 8.190 nan 0.000 0.461 15 K N 0.027 120.419 120.400 -0.013 0.000 2.026 15 K HA -0.057 4.263 4.320 0.000 0.000 0.208 15 K C 2.242 178.874 176.600 0.053 0.000 1.048 15 K CA 2.200 58.498 56.287 0.019 0.000 0.929 15 K CB -0.521 31.980 32.500 0.001 0.000 0.713 15 K HN 0.521 nan 8.250 nan 0.000 0.439 16 M N 0.349 119.979 119.600 0.050 0.000 2.080 16 M HA -0.204 4.276 4.480 0.000 0.000 0.260 16 M C 2.271 178.592 176.300 0.036 0.000 1.068 16 M CA 1.206 56.537 55.300 0.052 0.000 1.109 16 M CB -0.327 32.301 32.600 0.045 0.000 1.342 16 M HN 0.045 nan 8.290 nan 0.000 0.405 17 L N 0.514 121.753 121.223 0.026 0.000 2.012 17 L HA -0.215 4.125 4.340 0.000 0.000 0.210 17 L C 2.338 179.221 176.870 0.021 0.000 1.073 17 L CA 1.934 56.787 54.840 0.021 0.000 0.748 17 L CB -0.527 41.541 42.059 0.015 0.000 0.891 17 L HN 0.166 nan 8.230 nan 0.000 0.431 18 R N -0.588 119.925 120.500 0.022 0.000 2.091 18 R HA -0.123 4.217 4.340 0.000 0.000 0.238 18 R C 2.229 178.544 176.300 0.026 0.000 1.136 18 R CA 1.209 57.322 56.100 0.022 0.000 0.959 18 R CB -1.050 29.265 30.300 0.024 0.000 0.856 18 R HN 0.602 nan 8.270 nan 0.000 0.437 19 G N 0.593 109.413 108.800 0.033 0.000 2.433 19 G HA2 -0.258 3.702 3.960 0.000 0.000 0.216 19 G HA3 -0.258 3.702 3.960 0.000 0.000 0.216 19 G C 1.437 176.351 174.900 0.024 0.000 1.186 19 G CA 0.876 45.995 45.100 0.031 0.000 0.779 19 G HN 0.303 nan 8.290 nan 0.000 0.543 20 V N 0.964 120.893 119.914 0.024 0.000 2.515 20 V HA -0.143 3.977 4.120 0.000 0.000 0.250 20 V C 2.330 178.434 176.094 0.017 0.000 1.058 20 V CA 2.456 64.768 62.300 0.020 0.000 1.064 20 V CB -0.558 31.278 31.823 0.021 0.000 0.675 20 V HN 0.256 nan 8.190 nan 0.000 0.461 21 N N 0.656 119.366 118.700 0.017 0.000 2.094 21 N HA -0.144 4.596 4.740 0.000 0.000 0.191 21 N C 1.785 177.304 175.510 0.014 0.000 1.023 21 N CA 1.962 55.021 53.050 0.015 0.000 0.857 21 N CB -0.661 37.834 38.487 0.014 0.000 1.013 21 N HN 0.512 nan 8.380 nan 0.000 0.426 22 V N 1.315 121.238 119.914 0.014 0.000 2.307 22 V HA -0.175 3.945 4.120 0.000 0.000 0.245 22 V C 2.402 178.503 176.094 0.011 0.000 1.045 22 V CA 1.108 63.416 62.300 0.013 0.000 1.024 22 V CB -0.639 31.192 31.823 0.014 0.000 0.651 22 V HN 0.201 nan 8.190 nan 0.000 0.449 23 L N 0.989 122.219 121.223 0.012 0.000 2.012 23 L HA -0.116 4.224 4.340 0.000 0.000 0.210 23 L C 2.409 179.285 176.870 0.010 0.000 1.073 23 L CA 2.536 57.382 54.840 0.010 0.000 0.748 23 L CB -0.889 41.176 42.059 0.010 0.000 0.891 23 L HN 0.208 nan 8.230 nan 0.000 0.431 24 A N -0.883 121.945 122.820 0.012 0.000 1.898 24 A HA -0.176 4.144 4.320 0.000 0.000 0.216 24 A C 1.965 179.555 177.584 0.011 0.000 1.181 24 A CA 1.670 53.715 52.037 0.012 0.000 0.620 24 A CB -0.863 18.145 19.000 0.014 0.000 0.819 24 A HN 0.536 nan 8.150 nan 0.000 0.442 25 D N 0.188 120.595 120.400 0.010 0.000 2.178 25 D HA -0.020 4.620 4.640 0.000 0.000 0.201 25 D C 2.087 178.392 176.300 0.008 0.000 0.980 25 D CA 1.374 55.380 54.000 0.009 0.000 0.842 25 D CB -0.306 40.499 40.800 0.009 0.000 0.948 25 D HN 0.438 nan 8.370 nan 0.000 0.472 26 A N 0.156 122.981 122.820 0.008 0.000 1.929 26 A HA -0.054 4.266 4.320 0.000 0.000 0.216 26 A C 2.411 179.998 177.584 0.006 0.000 1.176 26 A CA 0.809 52.850 52.037 0.007 0.000 0.628 26 A CB -0.399 18.605 19.000 0.007 0.000 0.816 26 A HN 0.152 nan 8.150 nan 0.000 0.444 27 V N 0.964 120.882 119.914 0.007 0.000 2.500 27 V HA -0.159 3.961 4.120 0.000 0.000 0.243 27 V C 2.472 178.571 176.094 0.008 0.000 1.039 27 V CA 1.956 64.260 62.300 0.007 0.000 1.053 27 V CB -0.410 31.417 31.823 0.008 0.000 0.695 27 V HN 0.822 nan 8.190 nan 0.000 0.463 28 K N 1.305 121.711 120.400 0.009 0.000 2.362 28 K HA -0.084 4.236 4.320 0.000 0.000 0.200 28 K C 1.727 178.333 176.600 0.009 0.000 1.046 28 K CA 1.688 57.981 56.287 0.010 0.000 0.952 28 K CB -0.492 32.015 32.500 0.011 0.000 0.753 28 K HN 0.483 nan 8.250 nan 0.000 0.466 29 V N -0.175 119.744 119.914 0.008 0.000 2.970 29 V HA -0.118 4.002 4.120 0.000 0.000 0.260 29 V C 2.163 178.260 176.094 0.006 0.000 1.100 29 V CA 1.597 63.901 62.300 0.007 0.000 1.122 29 V CB -0.960 30.866 31.823 0.005 0.000 0.721 29 V HN 0.517 nan 8.190 nan 0.000 0.483 30 T N -2.220 112.338 114.554 0.006 0.000 3.081 30 T HA 0.204 4.554 4.350 0.000 0.000 0.255 30 T C 0.635 175.339 174.700 0.006 0.000 1.113 30 T CA -0.024 62.079 62.100 0.005 0.000 1.082 30 T CB -0.271 68.599 68.868 0.004 0.000 0.939 30 T HN 0.338 nan 8.240 nan 0.000 0.506 31 L N 2.509 123.737 121.223 0.009 0.000 2.453 31 L HA 0.533 4.873 4.340 0.000 0.000 0.272 31 L C 0.949 177.827 176.870 0.013 0.000 1.182 31 L CA 1.543 56.390 54.840 0.012 0.000 0.858 31 L CB -0.365 41.702 42.059 0.015 0.000 1.120 31 L HN 0.729 nan 8.230 nan 0.000 0.474 32 G N 4.410 113.218 108.800 0.013 0.000 2.757 32 G HA2 -0.152 3.808 3.960 0.000 0.000 0.638 32 G HA3 -0.152 3.808 3.960 0.000 0.000 0.638 32 G C -1.975 172.928 174.900 0.005 0.000 1.344 32 G CA -0.281 44.827 45.100 0.013 0.000 0.855 32 G HN 0.587 nan 8.290 nan 0.000 0.537 33 P HA 0.049 nan 4.420 nan 0.000 0.221 33 P C 0.839 178.135 177.300 -0.006 0.000 1.150 33 P CA 1.160 64.254 63.100 -0.010 0.000 0.800 33 P CB 0.150 31.836 31.700 -0.023 0.000 0.787 34 K N 0.577 120.978 120.400 0.002 0.000 2.681 34 K HA 0.271 4.591 4.320 0.000 0.000 0.211 34 K C 0.970 177.573 176.600 0.006 0.000 1.075 34 K CA -0.181 56.108 56.287 0.004 0.000 1.141 34 K CB 0.421 32.926 32.500 0.009 0.000 0.896 34 K HN 0.049 nan 8.250 nan 0.000 0.470 35 G N 1.421 110.223 108.800 0.004 0.000 2.491 35 G HA2 0.067 4.027 3.960 0.000 0.000 0.238 35 G HA3 0.067 4.027 3.960 0.000 0.000 0.238 35 G C 0.187 175.088 174.900 0.002 0.000 1.277 35 G CA -0.410 44.693 45.100 0.004 0.000 0.851 35 G HN 0.116 nan 8.290 nan 0.000 0.573 36 R N 0.806 121.307 120.500 0.003 0.000 2.543 36 R HA 0.175 4.515 4.340 0.000 0.000 0.268 36 R C 0.050 176.350 176.300 -0.000 0.000 1.067 36 R CA -0.666 55.435 56.100 0.001 0.000 1.142 36 R CB 0.494 30.796 30.300 0.002 0.000 1.110 36 R HN 0.636 nan 8.270 nan 0.000 0.549 37 N N -0.635 118.064 118.700 -0.002 0.000 2.530 37 N HA 0.209 4.949 4.740 0.000 0.000 0.273 37 N C -0.809 174.700 175.510 -0.002 0.000 1.173 37 N CA -0.273 52.776 53.050 -0.003 0.000 0.967 37 N CB 1.049 39.533 38.487 -0.005 0.000 1.109 37 N HN 0.116 nan 8.380 nan 0.000 0.453 38 V N 2.057 121.970 119.914 -0.002 0.000 2.495 38 V HA 0.334 4.455 4.120 0.000 0.000 0.298 38 V C -0.270 175.822 176.094 -0.003 0.000 1.031 38 V CA -0.835 61.464 62.300 -0.001 0.000 0.871 38 V CB 1.802 33.626 31.823 0.001 0.000 0.988 38 V HN 0.326 nan 8.190 nan 0.000 0.432 39 V N 6.371 126.283 119.914 -0.004 0.000 2.350 39 V HA 0.452 4.572 4.120 0.000 0.000 0.276 39 V C -0.194 175.898 176.094 -0.004 0.000 1.028 39 V CA -0.365 61.931 62.300 -0.006 0.000 0.860 39 V CB 1.075 32.892 31.823 -0.009 0.000 0.990 39 V HN 0.619 nan 8.190 nan 0.000 0.453 40 L N 3.631 124.853 121.223 -0.003 0.000 2.307 40 L HA 0.554 4.894 4.340 0.000 0.000 0.284 40 L C -0.007 176.863 176.870 0.001 0.000 1.023 40 L CA -0.591 54.251 54.840 0.003 0.000 0.810 40 L CB 1.565 43.629 42.059 0.007 0.000 1.231 40 L HN 0.441 nan 8.230 nan 0.000 0.423 41 D N 2.948 123.351 120.400 0.005 0.000 2.344 41 D HA 0.014 4.654 4.640 0.000 0.000 0.253 41 D C -0.035 176.279 176.300 0.024 0.000 1.255 41 D CA -0.207 53.795 54.000 0.004 0.000 0.894 41 D CB 0.915 41.719 40.800 0.007 0.000 1.067 41 D HN 0.268 nan 8.370 nan 0.000 0.492 42 K N 2.215 122.624 120.400 0.015 0.000 2.110 42 K HA 0.056 4.376 4.320 0.000 0.000 0.260 42 K C -0.007 176.653 176.600 0.100 0.000 1.126 42 K CA -0.407 55.922 56.287 0.070 0.000 1.005 42 K CB -0.348 32.168 32.500 0.027 0.000 1.336 42 K HN 0.187 nan 8.250 nan 0.000 0.369 43 S N 4.243 120.034 115.700 0.152 0.000 3.106 43 S HA 0.073 4.543 4.470 0.000 0.000 0.304 43 S C 0.300 175.090 174.600 0.318 0.000 1.118 43 S CA 0.022 58.313 58.200 0.151 0.000 1.403 43 S CB -0.929 62.334 63.200 0.105 0.000 1.555 43 S HN 0.744 nan 8.310 nan 0.000 0.584 44 F N -0.874 119.074 119.950 -0.003 0.000 2.517 44 F HA 0.357 4.884 4.527 0.000 0.000 0.456 44 F C 0.293 176.091 175.800 -0.003 0.000 0.881 44 F CA -0.226 57.772 58.000 -0.004 0.000 0.672 44 F CB -0.427 38.570 39.000 -0.004 0.000 1.401 44 F HN 0.625 nan 8.300 nan 0.000 0.513 45 G N 1.176 109.465 108.800 -0.852 0.000 3.253 45 G HA2 0.653 4.613 3.960 0.000 0.000 0.175 45 G HA3 0.653 4.613 3.960 0.000 0.000 0.175 45 G C -0.718 173.958 174.900 -0.374 0.000 1.098 45 G CA -0.186 44.516 45.100 -0.664 0.000 0.790 45 G HN 0.664 nan 8.290 nan 0.000 0.648 46 A N 0.760 123.391 122.820 -0.315 0.000 2.425 46 A HA 0.654 4.974 4.320 0.000 0.000 0.249 46 A C -2.175 175.313 177.584 -0.159 0.000 1.084 46 A CA -0.624 51.304 52.037 -0.182 0.000 0.781 46 A CB -0.239 18.680 19.000 -0.135 0.000 1.019 46 A HN 0.331 nan 8.150 nan 0.000 0.490 47 P HA 0.299 nan 4.420 nan 0.000 0.274 47 P C -0.350 176.921 177.300 -0.049 0.000 1.237 47 P CA -0.118 62.944 63.100 -0.064 0.000 0.793 47 P CB 0.527 32.202 31.700 -0.042 0.000 0.977 48 T N 2.363 116.899 114.554 -0.029 0.000 2.780 48 T HA 0.406 4.756 4.350 0.000 0.000 0.294 48 T C 0.394 175.086 174.700 -0.013 0.000 0.949 48 T CA -0.089 62.000 62.100 -0.017 0.000 1.074 48 T CB -0.216 68.650 68.868 -0.002 0.000 0.910 48 T HN 0.177 nan 8.240 nan 0.000 0.501 49 I N 2.933 123.495 120.570 -0.014 0.000 2.321 49 I HA 0.472 4.642 4.170 0.000 0.000 0.291 49 I C 0.548 176.661 176.117 -0.008 0.000 0.998 49 I CA -0.380 60.914 61.300 -0.011 0.000 1.227 49 I CB 1.621 39.613 38.000 -0.013 0.000 1.368 49 I HN 0.502 nan 8.210 nan 0.000 0.466 50 T N 4.491 119.042 114.554 -0.005 0.000 2.900 50 T HA 0.387 4.737 4.350 0.000 0.000 0.303 50 T C 0.017 174.715 174.700 -0.003 0.000 1.142 50 T CA -0.637 61.461 62.100 -0.004 0.000 1.007 50 T CB 1.555 70.422 68.868 -0.002 0.000 1.156 50 T HN 0.645 nan 8.240 nan 0.000 0.490 51 K N 1.526 121.924 120.400 -0.004 0.000 2.414 51 K HA 0.190 4.510 4.320 0.000 0.000 0.204 51 K C -0.531 176.068 176.600 -0.002 0.000 1.026 51 K CA -0.304 55.981 56.287 -0.003 0.000 1.108 51 K CB 0.472 32.970 32.500 -0.004 0.000 0.855 51 K HN 0.407 nan 8.250 nan 0.000 0.517 52 D N 0.357 120.756 120.400 -0.002 0.000 2.380 52 D HA 0.099 4.739 4.640 0.000 0.000 0.230 52 D C 1.138 177.438 176.300 0.000 0.000 1.154 52 D CA -0.168 53.831 54.000 -0.002 0.000 0.859 52 D CB 1.316 42.114 40.800 -0.004 0.000 1.045 52 D HN 0.200 nan 8.370 nan 0.000 0.495 53 G N 2.532 111.333 108.800 0.002 0.000 2.462 53 G HA2 -0.199 3.761 3.960 0.000 0.000 0.220 53 G HA3 -0.199 3.761 3.960 0.000 0.000 0.220 53 G C 1.489 176.390 174.900 0.002 0.000 1.121 53 G CA 0.640 45.742 45.100 0.003 0.000 0.758 53 G HN 0.482 nan 8.290 nan 0.000 0.559 54 V N 0.953 120.867 119.914 0.001 0.000 2.358 54 V HA -0.157 3.963 4.120 0.000 0.000 0.246 54 V C 3.068 179.163 176.094 0.001 0.000 1.047 54 V CA 2.125 64.424 62.300 -0.000 0.000 1.035 54 V CB -0.460 31.363 31.823 -0.000 0.000 0.658 54 V HN 0.363 nan 8.190 nan 0.000 0.452 55 S N 0.062 115.763 115.700 0.002 0.000 2.368 55 S HA -0.169 4.301 4.470 0.000 0.000 0.225 55 S C 2.024 176.627 174.600 0.005 0.000 1.030 55 S CA 1.535 59.737 58.200 0.004 0.000 0.999 55 S CB -0.247 62.956 63.200 0.004 0.000 0.844 55 S HN 0.390 nan 8.310 nan 0.000 0.459 56 V N 2.113 122.029 119.914 0.004 0.000 2.295 56 V HA -0.197 3.923 4.120 0.000 0.000 0.246 56 V C 2.700 178.796 176.094 0.004 0.000 1.049 56 V CA 1.685 63.987 62.300 0.004 0.000 1.024 56 V CB -1.321 30.505 31.823 0.004 0.000 0.648 56 V HN 0.541 nan 8.190 nan 0.000 0.447 57 A N -0.145 122.676 122.820 0.003 0.000 1.908 57 A HA -0.291 4.030 4.320 0.000 0.000 0.218 57 A C 2.357 179.942 177.584 0.000 0.000 1.181 57 A CA 2.195 54.232 52.037 0.001 0.000 0.627 57 A CB -0.610 18.389 19.000 -0.002 0.000 0.818 57 A HN 0.484 nan 8.150 nan 0.000 0.445 58 R N -0.520 119.981 120.500 0.001 0.000 2.119 58 R HA -0.161 4.179 4.340 0.000 0.000 0.246 58 R C 1.946 178.248 176.300 0.004 0.000 1.146 58 R CA 1.699 57.799 56.100 0.001 0.000 0.962 58 R CB -0.177 30.125 30.300 0.003 0.000 0.863 58 R HN 0.539 nan 8.270 nan 0.000 0.442 59 E N 0.133 120.337 120.200 0.006 0.000 2.285 59 E HA -0.050 4.300 4.350 0.000 0.000 0.194 59 E C 0.370 176.974 176.600 0.007 0.000 0.997 59 E CA 0.322 56.727 56.400 0.009 0.000 0.845 59 E CB 0.111 29.817 29.700 0.011 0.000 0.782 59 E HN 0.222 nan 8.360 nan 0.000 0.491 60 I N 2.504 123.077 120.570 0.005 0.000 2.578 60 I HA 0.042 4.212 4.170 0.000 0.000 0.286 60 I C 0.438 176.557 176.117 0.004 0.000 1.126 60 I CA 0.542 61.846 61.300 0.005 0.000 1.380 60 I CB -0.441 37.562 38.000 0.005 0.000 1.408 60 I HN -0.017 nan 8.210 nan 0.000 0.532 61 E N 7.094 127.296 120.200 0.004 0.000 2.304 61 E HA 0.527 4.877 4.350 0.000 0.000 0.277 61 E C -1.695 174.907 176.600 0.003 0.000 0.898 61 E CA -0.631 55.770 56.400 0.001 0.000 0.764 61 E CB 2.117 31.817 29.700 0.000 0.000 1.216 61 E HN 0.430 nan 8.360 nan 0.000 0.419 62 L N 3.333 124.557 121.223 0.002 0.000 2.334 62 L HA 0.381 4.721 4.340 0.000 0.000 0.272 62 L C 1.424 178.295 176.870 0.002 0.000 1.020 62 L CA -0.457 54.387 54.840 0.006 0.000 0.812 62 L CB 1.693 43.759 42.059 0.013 0.000 1.264 62 L HN 0.750 nan 8.230 nan 0.000 0.439 63 E N 0.838 121.042 120.200 0.007 0.000 2.047 63 E HA -0.169 4.181 4.350 0.000 0.000 0.191 63 E C 0.522 177.126 176.600 0.006 0.000 0.987 63 E CA 0.561 56.963 56.400 0.005 0.000 0.799 63 E CB 0.248 29.953 29.700 0.009 0.000 0.752 63 E HN 0.646 nan 8.360 nan 0.000 0.449 64 D N 0.787 121.202 120.400 0.025 0.000 2.412 64 D HA -0.062 4.578 4.640 0.000 0.000 0.257 64 D C 0.494 176.808 176.300 0.023 0.000 1.217 64 D CA 0.235 54.265 54.000 0.050 0.000 0.897 64 D CB 0.867 41.718 40.800 0.085 0.000 1.132 64 D HN 0.134 nan 8.370 nan 0.000 0.493 65 K N 3.118 123.490 120.400 -0.045 0.000 2.147 65 K HA -0.139 4.181 4.320 0.000 0.000 0.205 65 K C 1.721 178.185 176.600 -0.227 0.000 1.049 65 K CA 1.012 57.191 56.287 -0.180 0.000 0.936 65 K CB 0.039 32.352 32.500 -0.311 0.000 0.722 65 K HN 0.461 nan 8.250 nan 0.000 0.446 66 F N 1.631 121.571 119.950 -0.017 0.000 2.163 66 F HA -0.063 4.464 4.527 0.000 0.000 0.297 66 F C 2.286 178.078 175.800 -0.014 0.000 1.094 66 F CA 1.014 59.002 58.000 -0.020 0.000 1.290 66 F CB -0.327 38.658 39.000 -0.024 0.000 1.017 66 F HN 0.027 nan 8.300 nan 0.000 0.483 67 E N 0.103 120.409 120.200 0.178 0.000 2.085 67 E HA -0.267 4.083 4.350 0.000 0.000 0.194 67 E C 1.830 178.461 176.600 0.052 0.000 0.994 67 E CA 1.429 57.886 56.400 0.095 0.000 0.801 67 E CB -0.401 29.343 29.700 0.073 0.000 0.743 67 E HN 0.324 nan 8.360 nan 0.000 0.453 68 N N 0.659 119.376 118.700 0.028 0.000 2.104 68 N HA -0.167 4.573 4.740 0.000 0.000 0.190 68 N C 1.788 177.297 175.510 -0.002 0.000 1.024 68 N CA 1.301 54.352 53.050 0.002 0.000 0.853 68 N CB -0.022 38.453 38.487 -0.020 0.000 1.008 68 N HN 0.060 nan 8.380 nan 0.000 0.424 69 M N -0.489 119.106 119.600 -0.008 0.000 2.082 69 M HA -0.100 4.380 4.480 0.000 0.000 0.258 69 M C 2.199 178.510 176.300 0.017 0.000 1.069 69 M CA 1.880 57.177 55.300 -0.005 0.000 1.102 69 M CB -0.777 31.818 32.600 -0.007 0.000 1.336 69 M HN 0.356 nan 8.290 nan 0.000 0.404 70 G N -0.154 108.668 108.800 0.037 0.000 2.491 70 G HA2 -0.254 3.706 3.960 0.000 0.000 0.218 70 G HA3 -0.254 3.706 3.960 0.000 0.000 0.218 70 G C 1.583 176.497 174.900 0.024 0.000 1.180 70 G CA 1.311 46.432 45.100 0.036 0.000 0.774 70 G HN 0.576 nan 8.290 nan 0.000 0.562 71 A N -0.170 122.662 122.820 0.020 0.000 1.877 71 A HA -0.074 4.246 4.320 0.000 0.000 0.216 71 A C 2.406 179.994 177.584 0.007 0.000 1.186 71 A CA 2.062 54.107 52.037 0.013 0.000 0.620 71 A CB -0.409 18.598 19.000 0.011 0.000 0.822 71 A HN 0.331 nan 8.150 nan 0.000 0.443 72 Q N -0.772 119.030 119.800 0.002 0.000 2.226 72 Q HA -0.079 4.261 4.340 0.000 0.000 0.204 72 Q C 2.062 178.061 176.000 -0.002 0.000 0.975 72 Q CA 1.246 57.047 55.803 -0.003 0.000 0.866 72 Q CB -0.493 28.239 28.738 -0.010 0.000 0.915 72 Q HN 0.771 nan 8.270 nan 0.000 0.440 73 M N -0.359 119.244 119.600 0.005 0.000 2.077 73 M HA -0.130 4.350 4.480 0.000 0.000 0.261 73 M C 2.256 178.563 176.300 0.012 0.000 1.070 73 M CA 1.375 56.681 55.300 0.010 0.000 1.125 73 M CB -0.299 32.311 32.600 0.017 0.000 1.339 73 M HN 0.159 nan 8.290 nan 0.000 0.409 74 V N -0.271 119.651 119.914 0.015 0.000 2.548 74 V HA -0.220 3.900 4.120 0.000 0.000 0.249 74 V C 2.016 178.112 176.094 0.003 0.000 1.055 74 V CA 1.819 64.129 62.300 0.017 0.000 1.065 74 V CB -0.531 31.305 31.823 0.022 0.000 0.681 74 V HN 0.434 nan 8.190 nan 0.000 0.462 75 K N -0.493 119.906 120.400 -0.002 0.000 2.032 75 K HA -0.191 4.129 4.320 0.000 0.000 0.209 75 K C 2.266 178.850 176.600 -0.028 0.000 1.048 75 K CA 2.034 58.314 56.287 -0.012 0.000 0.927 75 K CB -0.103 32.392 32.500 -0.009 0.000 0.712 75 K HN 0.499 nan 8.250 nan 0.000 0.441 76 E N -0.028 120.156 120.200 -0.027 0.000 2.072 76 E HA -0.135 4.215 4.350 0.000 0.000 0.190 76 E C 2.069 178.622 176.600 -0.079 0.000 0.982 76 E CA 1.333 57.707 56.400 -0.043 0.000 0.803 76 E CB -0.230 29.453 29.700 -0.028 0.000 0.755 76 E HN 0.328 nan 8.360 nan 0.000 0.453 77 V N -0.793 119.087 119.914 -0.057 0.000 2.591 77 V HA 0.078 4.198 4.120 0.000 0.000 0.249 77 V C 2.223 178.205 176.094 -0.187 0.000 1.053 77 V CA 1.558 63.802 62.300 -0.094 0.000 1.068 77 V CB -0.529 31.333 31.823 0.064 0.000 0.689 77 V HN 0.115 nan 8.190 nan 0.000 0.462 78 A N 1.774 124.543 122.820 -0.084 0.000 1.933 78 A HA -0.150 4.170 4.320 0.000 0.000 0.218 78 A C 2.592 180.102 177.584 -0.124 0.000 1.175 78 A CA 2.470 54.466 52.037 -0.070 0.000 0.628 78 A CB -1.071 17.918 19.000 -0.019 0.000 0.814 78 A HN 1.011 nan 8.150 nan 0.000 0.444 79 S N -0.151 115.474 115.700 -0.124 0.000 2.423 79 S HA -0.125 4.345 4.470 0.000 0.000 0.231 79 S C 1.752 176.240 174.600 -0.187 0.000 1.014 79 S CA 1.258 59.389 58.200 -0.115 0.000 0.965 79 S CB -0.322 62.833 63.200 -0.076 0.000 0.785 79 S HN 0.581 nan 8.310 nan 0.000 0.495 80 K N 1.469 121.661 120.400 -0.346 0.000 2.148 80 K HA 0.088 4.408 4.320 0.000 0.000 0.204 80 K C 2.519 178.796 176.600 -0.538 0.000 1.050 80 K CA 1.035 57.007 56.287 -0.524 0.000 0.942 80 K CB -0.556 31.430 32.500 -0.857 0.000 0.724 80 K HN 0.523 nan 8.250 nan 0.000 0.446 81 A N 1.892 124.418 122.820 -0.490 0.000 1.877 81 A HA -0.236 4.084 4.320 0.000 0.000 0.216 81 A C 1.929 179.497 177.584 -0.026 0.000 1.186 81 A CA 1.980 53.961 52.037 -0.094 0.000 0.620 81 A CB -0.719 18.306 19.000 0.042 0.000 0.822 81 A HN 0.337 nan 8.150 nan 0.000 0.443 82 N N -0.337 118.333 118.700 -0.050 0.000 2.244 82 N HA -0.124 4.617 4.740 0.000 0.000 0.183 82 N C 1.157 176.670 175.510 0.006 0.000 1.016 82 N CA 1.313 54.361 53.050 -0.004 0.000 0.866 82 N CB -0.089 38.395 38.487 -0.005 0.000 0.980 82 N HN 0.415 nan 8.380 nan 0.000 0.430 83 D N -0.160 120.217 120.400 -0.037 0.000 2.117 83 D HA -0.093 4.547 4.640 0.000 0.000 0.198 83 D C 1.677 177.963 176.300 -0.024 0.000 0.982 83 D CA 1.077 55.058 54.000 -0.032 0.000 0.828 83 D CB -0.247 40.513 40.800 -0.067 0.000 0.967 83 D HN 0.368 nan 8.370 nan 0.000 0.464 84 A N 0.305 123.121 122.820 -0.006 0.000 1.970 84 A HA 0.257 4.577 4.320 0.000 0.000 0.216 84 A C 2.013 179.607 177.584 0.017 0.000 1.170 84 A CA 1.621 53.672 52.037 0.025 0.000 0.645 84 A CB 0.080 19.144 19.000 0.106 0.000 0.816 84 A HN 0.230 nan 8.150 nan 0.000 0.447 85 A N -3.030 119.810 122.820 0.033 0.000 2.390 85 A HA 0.471 4.791 4.320 0.000 0.000 0.225 85 A C 1.631 179.255 177.584 0.067 0.000 1.232 85 A CA 1.034 53.096 52.037 0.041 0.000 0.964 85 A CB -0.128 18.907 19.000 0.058 0.000 1.064 85 A HN 1.806 nan 8.150 nan 0.000 0.525 86 G N -0.820 108.039 108.800 0.099 0.000 2.159 86 G HA2 -0.148 3.812 3.960 0.000 0.000 0.256 86 G HA3 -0.148 3.812 3.960 0.000 0.000 0.256 86 G C -0.212 174.749 174.900 0.103 0.000 0.977 86 G CA 0.591 45.810 45.100 0.197 0.000 0.652 86 G HN 0.868 nan 8.290 nan 0.000 0.531 87 D N -2.746 117.694 120.400 0.066 0.000 2.742 87 D HA 0.575 5.215 4.640 0.000 0.000 0.262 87 D C 0.784 177.108 176.300 0.040 0.000 1.240 87 D CA 1.373 55.399 54.000 0.043 0.000 0.752 87 D CB 0.487 41.312 40.800 0.041 0.000 1.290 87 D HN 1.353 nan 8.370 nan 0.000 0.420 88 G N 0.134 108.953 108.800 0.032 0.000 2.211 88 G HA2 -0.249 3.711 3.960 0.000 0.000 0.201 88 G HA3 -0.249 3.711 3.960 0.000 0.000 0.201 88 G C 1.141 176.059 174.900 0.031 0.000 0.997 88 G CA 0.731 45.853 45.100 0.038 0.000 0.652 88 G HN 0.555 nan 8.290 nan 0.000 0.500 89 T N 1.188 115.751 114.554 0.015 0.000 2.684 89 T HA -0.114 4.236 4.350 0.000 0.000 0.267 89 T C 2.571 177.278 174.700 0.011 0.000 1.036 89 T CA 2.586 64.687 62.100 0.003 0.000 1.148 89 T CB -0.402 68.461 68.868 -0.008 0.000 0.863 89 T HN 0.451 nan 8.240 nan 0.000 0.436 90 T N 1.528 116.090 114.554 0.013 0.000 2.708 90 T HA -0.102 4.248 4.350 0.000 0.000 0.266 90 T C 2.267 176.979 174.700 0.020 0.000 1.037 90 T CA 1.675 63.784 62.100 0.014 0.000 1.146 90 T CB -0.708 68.167 68.868 0.012 0.000 0.865 90 T HN 0.414 nan 8.240 nan 0.000 0.435 91 T N 2.222 116.792 114.554 0.025 0.000 2.684 91 T HA -0.089 4.261 4.350 0.000 0.000 0.267 91 T C 2.409 177.131 174.700 0.037 0.000 1.036 91 T CA 1.268 63.386 62.100 0.031 0.000 1.148 91 T CB -0.651 68.238 68.868 0.034 0.000 0.863 91 T HN 0.437 nan 8.240 nan 0.000 0.436 92 A N 1.400 124.246 122.820 0.044 0.000 1.908 92 A HA -0.161 4.159 4.320 0.000 0.000 0.218 92 A C 2.566 180.176 177.584 0.044 0.000 1.181 92 A CA 2.212 54.283 52.037 0.057 0.000 0.627 92 A CB -1.300 17.742 19.000 0.070 0.000 0.818 92 A HN 0.509 nan 8.150 nan 0.000 0.445 93 T N -0.289 114.283 114.554 0.030 0.000 2.737 93 T HA -0.127 4.223 4.350 0.000 0.000 0.265 93 T C 2.003 176.717 174.700 0.024 0.000 1.038 93 T CA 1.906 64.020 62.100 0.024 0.000 1.144 93 T CB -0.781 68.097 68.868 0.016 0.000 0.866 93 T HN 0.703 nan 8.240 nan 0.000 0.434 94 V N 0.533 120.461 119.914 0.023 0.000 2.515 94 V HA -0.004 4.116 4.120 0.000 0.000 0.250 94 V C 2.179 178.287 176.094 0.023 0.000 1.058 94 V CA 1.307 63.620 62.300 0.021 0.000 1.064 94 V CB -0.993 30.841 31.823 0.019 0.000 0.675 94 V HN 0.441 nan 8.190 nan 0.000 0.461 95 L N 0.688 121.927 121.223 0.028 0.000 2.005 95 L HA -0.023 4.317 4.340 0.000 0.000 0.207 95 L C 3.102 179.989 176.870 0.029 0.000 1.072 95 L CA 1.816 56.673 54.840 0.029 0.000 0.744 95 L CB -0.990 41.090 42.059 0.035 0.000 0.895 95 L HN 0.428 nan 8.230 nan 0.000 0.433 96 A N -0.475 122.365 122.820 0.033 0.000 1.892 96 A HA -0.341 3.979 4.320 0.000 0.000 0.218 96 A C 2.257 179.857 177.584 0.026 0.000 1.188 96 A CA 2.243 54.299 52.037 0.032 0.000 0.631 96 A CB -0.776 18.246 19.000 0.037 0.000 0.822 96 A HN 0.537 nan 8.150 nan 0.000 0.447 97 Q N -0.717 119.097 119.800 0.023 0.000 2.096 97 Q HA -0.163 4.177 4.340 0.000 0.000 0.204 97 Q C 2.190 178.201 176.000 0.017 0.000 0.982 97 Q CA 1.788 57.603 55.803 0.019 0.000 0.850 97 Q CB -0.345 28.403 28.738 0.017 0.000 0.901 97 Q HN 0.627 nan 8.270 nan 0.000 0.422 98 A N 0.583 123.413 122.820 0.017 0.000 1.898 98 A HA -0.131 4.189 4.320 0.000 0.000 0.216 98 A C 1.962 179.555 177.584 0.015 0.000 1.181 98 A CA 1.253 53.299 52.037 0.015 0.000 0.620 98 A CB -0.553 18.456 19.000 0.015 0.000 0.819 98 A HN 0.465 nan 8.150 nan 0.000 0.442 99 I N -0.381 120.200 120.570 0.017 0.000 2.163 99 I HA -0.242 3.928 4.170 0.000 0.000 0.240 99 I C 2.314 178.440 176.117 0.016 0.000 1.081 99 I CA 1.376 62.685 61.300 0.017 0.000 1.353 99 I CB -0.455 37.557 38.000 0.019 0.000 1.054 99 I HN 0.261 nan 8.210 nan 0.000 0.407 100 I N 0.545 121.126 120.570 0.018 0.000 2.163 100 I HA -0.311 3.859 4.170 0.000 0.000 0.243 100 I C 2.626 178.752 176.117 0.015 0.000 1.085 100 I CA 1.744 63.054 61.300 0.017 0.000 1.347 100 I CB -0.726 37.286 38.000 0.020 0.000 1.044 100 I HN 0.260 nan 8.210 nan 0.000 0.408 101 T N 0.189 114.751 114.554 0.014 0.000 2.635 101 T HA -0.186 4.164 4.350 0.000 0.000 0.267 101 T C 1.843 176.549 174.700 0.010 0.000 1.040 101 T CA 1.451 63.558 62.100 0.012 0.000 1.156 101 T CB -0.199 68.676 68.868 0.011 0.000 0.863 101 T HN 0.321 nan 8.240 nan 0.000 0.430 102 E N 0.530 120.736 120.200 0.010 0.000 2.072 102 E HA 0.007 4.357 4.350 0.000 0.000 0.190 102 E C 2.605 179.210 176.600 0.009 0.000 0.982 102 E CA 0.973 57.379 56.400 0.009 0.000 0.803 102 E CB -0.824 28.881 29.700 0.009 0.000 0.755 102 E HN 0.555 nan 8.360 nan 0.000 0.453 103 G N 1.757 110.563 108.800 0.011 0.000 2.446 103 G HA2 -0.242 3.718 3.960 0.000 0.000 0.217 103 G HA3 -0.242 3.718 3.960 0.000 0.000 0.217 103 G C 1.725 176.632 174.900 0.010 0.000 1.168 103 G CA 0.667 45.773 45.100 0.011 0.000 0.771 103 G HN 0.169 nan 8.290 nan 0.000 0.551 104 L N -0.246 120.983 121.223 0.011 0.000 2.141 104 L HA -0.018 4.322 4.340 0.000 0.000 0.209 104 L C 2.941 179.815 176.870 0.008 0.000 1.094 104 L CA 1.091 55.937 54.840 0.010 0.000 0.763 104 L CB -0.352 41.713 42.059 0.010 0.000 0.908 104 L HN 0.214 nan 8.230 nan 0.000 0.437 105 K N 0.283 120.688 120.400 0.007 0.000 2.103 105 K HA -0.158 4.162 4.320 0.000 0.000 0.207 105 K C 2.233 178.837 176.600 0.006 0.000 1.048 105 K CA 1.441 57.732 56.287 0.006 0.000 0.930 105 K CB -0.207 32.297 32.500 0.006 0.000 0.716 105 K HN 0.283 nan 8.250 nan 0.000 0.444 106 A N 0.753 123.577 122.820 0.006 0.000 1.930 106 A HA -0.096 4.224 4.320 0.000 0.000 0.217 106 A C 2.311 179.899 177.584 0.006 0.000 1.175 106 A CA 1.206 53.246 52.037 0.006 0.000 0.627 106 A CB -0.486 18.518 19.000 0.006 0.000 0.815 106 A HN 0.067 nan 8.150 nan 0.000 0.443 107 V N -0.096 119.822 119.914 0.008 0.000 2.343 107 V HA -0.232 3.888 4.120 0.000 0.000 0.247 107 V C 3.018 179.117 176.094 0.007 0.000 1.051 107 V CA 1.863 64.168 62.300 0.009 0.000 1.036 107 V CB -1.169 30.660 31.823 0.011 0.000 0.654 107 V HN 0.593 nan 8.190 nan 0.000 0.451 108 A N -0.054 122.770 122.820 0.006 0.000 2.019 108 A HA -0.033 4.287 4.320 0.000 0.000 0.219 108 A C 2.320 179.906 177.584 0.004 0.000 1.164 108 A CA 1.734 53.774 52.037 0.005 0.000 0.644 108 A CB -0.570 18.433 19.000 0.004 0.000 0.805 108 A HN 0.573 nan 8.150 nan 0.000 0.449 109 A N -1.803 121.019 122.820 0.004 0.000 2.119 109 A HA 0.368 4.688 4.320 0.000 0.000 0.217 109 A C 1.794 179.380 177.584 0.003 0.000 1.153 109 A CA 1.458 53.497 52.037 0.003 0.000 0.692 109 A CB -0.724 18.278 19.000 0.003 0.000 0.799 109 A HN 1.866 nan 8.150 nan 0.000 0.458 110 G N -2.068 106.735 108.800 0.004 0.000 2.138 110 G HA2 -0.171 3.789 3.960 0.000 0.000 0.193 110 G HA3 -0.171 3.789 3.960 0.000 0.000 0.193 110 G C 0.048 174.950 174.900 0.004 0.000 0.998 110 G CA 0.072 45.174 45.100 0.003 0.000 0.668 110 G HN 0.335 nan 8.290 nan 0.000 0.516 111 M N 0.675 120.278 119.600 0.005 0.000 2.288 111 M HA 0.283 4.763 4.480 0.000 0.000 0.334 111 M C 0.653 176.957 176.300 0.006 0.000 1.150 111 M CA -0.624 54.679 55.300 0.005 0.000 1.118 111 M CB 0.621 33.224 32.600 0.005 0.000 1.501 111 M HN 0.142 nan 8.290 nan 0.000 0.462 112 N N 2.760 121.463 118.700 0.006 0.000 2.452 112 N HA 0.089 4.829 4.740 0.000 0.000 0.266 112 N C -2.067 173.448 175.510 0.009 0.000 1.175 112 N CA -1.170 51.885 53.050 0.007 0.000 0.945 112 N CB 1.153 39.644 38.487 0.006 0.000 1.063 112 N HN 0.301 nan 8.380 nan 0.000 0.472 113 P HA -0.095 nan 4.420 nan 0.000 0.217 113 P C 1.604 178.911 177.300 0.011 0.000 1.150 113 P CA 1.150 64.257 63.100 0.012 0.000 0.832 113 P CB 0.255 31.964 31.700 0.015 0.000 0.787 114 M N -0.774 118.833 119.600 0.011 0.000 2.132 114 M HA -0.111 4.369 4.480 0.000 0.000 0.263 114 M C 1.473 177.777 176.300 0.007 0.000 1.065 114 M CA 1.601 56.907 55.300 0.010 0.000 1.122 114 M CB -1.634 30.971 32.600 0.009 0.000 1.365 114 M HN -0.032 nan 8.290 nan 0.000 0.411 115 D N 0.467 120.871 120.400 0.007 0.000 2.117 115 D HA -0.053 4.587 4.640 0.000 0.000 0.198 115 D C 2.302 178.605 176.300 0.005 0.000 0.982 115 D CA 0.953 54.956 54.000 0.005 0.000 0.828 115 D CB -0.152 40.651 40.800 0.005 0.000 0.967 115 D HN 0.309 nan 8.370 nan 0.000 0.464 116 L N 0.719 121.946 121.223 0.007 0.000 2.042 116 L HA -0.180 4.160 4.340 0.000 0.000 0.210 116 L C 2.528 179.402 176.870 0.007 0.000 1.076 116 L CA 1.172 56.016 54.840 0.007 0.000 0.749 116 L CB -0.310 41.754 42.059 0.008 0.000 0.893 116 L HN -0.024 nan 8.230 nan 0.000 0.432 117 K N 0.224 120.629 120.400 0.008 0.000 2.057 117 K HA -0.220 4.100 4.320 0.000 0.000 0.207 117 K C 2.352 178.955 176.600 0.004 0.000 1.049 117 K CA 1.347 57.639 56.287 0.007 0.000 0.931 117 K CB -0.005 32.500 32.500 0.008 0.000 0.714 117 K HN 0.085 nan 8.250 nan 0.000 0.440 118 R N -0.345 120.157 120.500 0.004 0.000 2.096 118 R HA -0.087 4.253 4.340 0.000 0.000 0.235 118 R C 2.230 178.531 176.300 0.001 0.000 1.127 118 R CA 1.516 57.617 56.100 0.002 0.000 0.968 118 R CB -0.365 29.936 30.300 0.002 0.000 0.861 118 R HN 0.375 nan 8.270 nan 0.000 0.440 119 G N 0.739 109.540 108.800 0.002 0.000 2.404 119 G HA2 -0.233 3.727 3.960 0.000 0.000 0.215 119 G HA3 -0.233 3.727 3.960 0.000 0.000 0.215 119 G C 1.399 176.300 174.900 0.002 0.000 1.174 119 G CA 0.793 45.894 45.100 0.002 0.000 0.780 119 G HN 0.232 nan 8.290 nan 0.000 0.537 120 I N 1.192 121.764 120.570 0.003 0.000 2.151 120 I HA -0.189 3.981 4.170 0.000 0.000 0.243 120 I C 2.365 178.481 176.117 -0.000 0.000 1.080 120 I CA 1.461 62.763 61.300 0.003 0.000 1.339 120 I CB -0.179 37.824 38.000 0.006 0.000 1.039 120 I HN 0.057 nan 8.210 nan 0.000 0.409 121 D N 0.618 121.016 120.400 -0.002 0.000 2.117 121 D HA -0.218 4.423 4.640 0.000 0.000 0.197 121 D C 2.074 178.369 176.300 -0.008 0.000 0.987 121 D CA 1.225 55.221 54.000 -0.007 0.000 0.829 121 D CB -0.261 40.535 40.800 -0.008 0.000 0.961 121 D HN 0.293 nan 8.370 nan 0.000 0.460 122 K N 0.699 121.096 120.400 -0.005 0.000 2.026 122 K HA -0.115 4.205 4.320 0.000 0.000 0.208 122 K C 2.031 178.629 176.600 -0.003 0.000 1.048 122 K CA 1.371 57.655 56.287 -0.004 0.000 0.929 122 K CB -0.076 32.423 32.500 -0.002 0.000 0.713 122 K HN 0.027 nan 8.250 nan 0.000 0.439 123 A N 0.534 123.353 122.820 -0.001 0.000 1.908 123 A HA -0.125 4.195 4.320 0.000 0.000 0.218 123 A C 2.241 179.824 177.584 -0.001 0.000 1.181 123 A CA 1.765 53.802 52.037 0.000 0.000 0.627 123 A CB -0.651 18.350 19.000 0.002 0.000 0.818 123 A HN 0.192 nan 8.150 nan 0.000 0.445 124 V N -0.330 119.581 119.914 -0.005 0.000 2.358 124 V HA -0.207 3.913 4.120 0.000 0.000 0.246 124 V C 2.752 178.838 176.094 -0.013 0.000 1.047 124 V CA 2.411 64.705 62.300 -0.009 0.000 1.035 124 V CB -1.221 30.593 31.823 -0.015 0.000 0.658 124 V HN 0.622 nan 8.190 nan 0.000 0.452 125 T N 0.649 115.194 114.554 -0.014 0.000 2.684 125 T HA -0.211 4.139 4.350 0.000 0.000 0.267 125 T C 2.057 176.752 174.700 -0.009 0.000 1.036 125 T CA 1.735 63.827 62.100 -0.014 0.000 1.148 125 T CB -0.480 68.380 68.868 -0.013 0.000 0.863 125 T HN 0.568 nan 8.240 nan 0.000 0.436 126 A N 1.374 124.191 122.820 -0.005 0.000 1.933 126 A HA 0.173 4.493 4.320 0.000 0.000 0.218 126 A C 2.644 180.228 177.584 0.000 0.000 1.175 126 A CA 1.807 53.843 52.037 -0.002 0.000 0.628 126 A CB -1.058 17.942 19.000 0.000 0.000 0.814 126 A HN 0.519 nan 8.150 nan 0.000 0.444 127 A N -0.606 122.214 122.820 0.000 0.000 1.898 127 A HA 0.025 4.345 4.320 0.000 0.000 0.216 127 A C 2.214 179.799 177.584 0.002 0.000 1.181 127 A CA 1.679 53.718 52.037 0.003 0.000 0.620 127 A CB -0.900 18.102 19.000 0.004 0.000 0.819 127 A HN 0.371 nan 8.150 nan 0.000 0.442 128 V N 0.394 120.306 119.914 -0.004 0.000 2.343 128 V HA -0.220 3.900 4.120 0.000 0.000 0.247 128 V C 2.578 178.671 176.094 -0.002 0.000 1.051 128 V CA 2.153 64.449 62.300 -0.006 0.000 1.036 128 V CB -0.704 31.109 31.823 -0.017 0.000 0.654 128 V HN 0.505 nan 8.190 nan 0.000 0.451 129 E N -0.135 120.064 120.200 -0.002 0.000 2.077 129 E HA -0.235 4.115 4.350 0.000 0.000 0.193 129 E C 2.209 178.811 176.600 0.004 0.000 0.989 129 E CA 1.231 57.631 56.400 0.000 0.000 0.800 129 E CB -0.219 29.480 29.700 -0.000 0.000 0.746 129 E HN 0.598 nan 8.360 nan 0.000 0.452 130 E N 0.239 120.443 120.200 0.006 0.000 2.150 130 E HA -0.097 4.253 4.350 0.000 0.000 0.193 130 E C 1.834 178.442 176.600 0.012 0.000 0.985 130 E CA 0.256 56.662 56.400 0.010 0.000 0.814 130 E CB -0.083 29.624 29.700 0.011 0.000 0.752 130 E HN 0.044 nan 8.360 nan 0.000 0.466 131 L N 0.782 122.012 121.223 0.011 0.000 2.056 131 L HA -0.116 4.224 4.340 0.000 0.000 0.207 131 L C 1.936 178.814 176.870 0.013 0.000 1.078 131 L CA 1.709 56.557 54.840 0.014 0.000 0.749 131 L CB -0.834 41.232 42.059 0.012 0.000 0.901 131 L HN 0.131 nan 8.230 nan 0.000 0.433 132 K N -0.707 119.698 120.400 0.009 0.000 2.063 132 K HA -0.149 4.171 4.320 0.000 0.000 0.208 132 K C 2.028 178.634 176.600 0.010 0.000 1.048 132 K CA 1.485 57.777 56.287 0.009 0.000 0.928 132 K CB -0.143 32.360 32.500 0.005 0.000 0.713 132 K HN 0.302 nan 8.250 nan 0.000 0.442 133 A N 1.282 124.109 122.820 0.011 0.000 1.968 133 A HA -0.073 4.247 4.320 0.000 0.000 0.217 133 A C 1.950 179.543 177.584 0.015 0.000 1.169 133 A CA 0.752 52.796 52.037 0.012 0.000 0.638 133 A CB -0.327 18.680 19.000 0.011 0.000 0.812 133 A HN 0.215 nan 8.150 nan 0.000 0.446 134 L N -0.237 120.996 121.223 0.018 0.000 2.395 134 L HA 0.056 4.396 4.340 0.000 0.000 0.218 134 L C 1.035 177.918 176.870 0.023 0.000 1.130 134 L CA 0.769 55.623 54.840 0.023 0.000 0.826 134 L CB -0.605 41.470 42.059 0.026 0.000 0.941 134 L HN 0.363 nan 8.230 nan 0.000 0.451 135 S N -0.487 115.224 115.700 0.019 0.000 2.564 135 S HA 0.234 4.704 4.470 0.000 0.000 0.278 135 S C -0.216 174.395 174.600 0.017 0.000 1.333 135 S CA -0.428 57.783 58.200 0.018 0.000 1.048 135 S CB 1.026 64.235 63.200 0.015 0.000 0.900 135 S HN 0.050 nan 8.310 nan 0.000 0.505 136 V N 7.712 127.636 119.914 0.017 0.000 2.417 136 V HA 0.418 4.538 4.120 0.000 0.000 0.291 136 V C -2.116 173.986 176.094 0.013 0.000 1.024 136 V CA -1.835 60.474 62.300 0.015 0.000 0.861 136 V CB 1.385 33.218 31.823 0.017 0.000 0.985 136 V HN 0.754 nan 8.190 nan 0.000 0.436 137 P HA 0.256 nan 4.420 nan 0.000 0.274 137 P C -0.733 176.573 177.300 0.009 0.000 1.246 137 P CA -0.474 62.632 63.100 0.010 0.000 0.795 137 P CB 0.530 32.235 31.700 0.009 0.000 1.006 138 C N 1.785 121.091 119.300 0.009 0.000 2.621 138 C HA 0.262 4.722 4.460 0.000 0.000 0.272 138 C C 1.639 176.633 174.990 0.007 0.000 1.119 138 C CA 0.195 59.218 59.018 0.008 0.000 1.593 138 C CB -1.157 26.588 27.740 0.009 0.000 1.749 138 C HN 0.559 nan 8.230 nan 0.000 0.420 139 S N 1.613 117.317 115.700 0.006 0.000 2.303 139 S HA -0.015 4.455 4.470 0.000 0.000 0.207 139 S C 0.580 175.183 174.600 0.004 0.000 1.025 139 S CA 0.573 58.776 58.200 0.005 0.000 0.953 139 S CB -0.252 62.951 63.200 0.005 0.000 0.932 139 S HN 0.900 nan 8.310 nan 0.000 0.472 140 D N 1.454 121.857 120.400 0.004 0.000 2.371 140 D HA 0.204 4.844 4.640 0.000 0.000 0.242 140 D C 0.944 177.247 176.300 0.004 0.000 1.218 140 D CA 0.168 54.170 54.000 0.004 0.000 0.945 140 D CB 0.311 41.113 40.800 0.004 0.000 1.137 140 D HN 0.233 nan 8.370 nan 0.000 0.464 141 S N -0.895 114.807 115.700 0.003 0.000 2.522 141 S HA -0.155 4.315 4.470 0.000 0.000 0.227 141 S C 1.564 176.166 174.600 0.004 0.000 0.986 141 S CA 0.594 58.796 58.200 0.004 0.000 0.929 141 S CB -0.402 62.799 63.200 0.003 0.000 0.769 141 S HN 0.593 nan 8.310 nan 0.000 0.529 142 K N 2.010 122.412 120.400 0.003 0.000 2.025 142 K HA 0.058 4.378 4.320 0.000 0.000 0.207 142 K C 2.269 178.871 176.600 0.004 0.000 1.049 142 K CA 1.187 57.475 56.287 0.003 0.000 0.933 142 K CB -0.673 31.828 32.500 0.003 0.000 0.714 142 K HN 0.369 nan 8.250 nan 0.000 0.438 143 A N 1.105 123.928 122.820 0.005 0.000 1.930 143 A HA -0.089 4.231 4.320 0.000 0.000 0.217 143 A C 2.104 179.692 177.584 0.006 0.000 1.175 143 A CA 1.389 53.429 52.037 0.005 0.000 0.627 143 A CB -0.578 18.426 19.000 0.006 0.000 0.815 143 A HN 0.375 nan 8.150 nan 0.000 0.443 144 I N -0.179 120.395 120.570 0.006 0.000 2.208 144 I HA -0.312 3.858 4.170 0.000 0.000 0.245 144 I C 2.973 179.094 176.117 0.007 0.000 1.097 144 I CA 1.134 62.439 61.300 0.007 0.000 1.363 144 I CB -0.288 37.716 38.000 0.007 0.000 1.051 144 I HN 0.363 nan 8.210 nan 0.000 0.413 145 A N -0.040 122.783 122.820 0.005 0.000 1.902 145 A HA -0.276 4.044 4.320 0.000 0.000 0.217 145 A C 2.249 179.835 177.584 0.003 0.000 1.181 145 A CA 1.674 53.714 52.037 0.004 0.000 0.623 145 A CB -0.662 18.340 19.000 0.003 0.000 0.818 145 A HN 0.452 nan 8.150 nan 0.000 0.443 146 Q N -0.624 119.178 119.800 0.003 0.000 2.096 146 Q HA -0.125 4.215 4.340 0.000 0.000 0.204 146 Q C 2.125 178.126 176.000 0.003 0.000 0.982 146 Q CA 1.754 57.558 55.803 0.002 0.000 0.850 146 Q CB -0.308 28.431 28.738 0.002 0.000 0.901 146 Q HN 0.504 nan 8.270 nan 0.000 0.422 147 V N -0.088 119.829 119.914 0.005 0.000 2.358 147 V HA -0.187 3.933 4.120 0.000 0.000 0.246 147 V C 2.160 178.259 176.094 0.008 0.000 1.047 147 V CA 1.921 64.225 62.300 0.007 0.000 1.035 147 V CB -1.095 30.735 31.823 0.011 0.000 0.658 147 V HN 0.542 nan 8.190 nan 0.000 0.452 148 G N -0.333 108.472 108.800 0.008 0.000 2.418 148 G HA2 -0.240 3.720 3.960 0.000 0.000 0.217 148 G HA3 -0.240 3.720 3.960 0.000 0.000 0.217 148 G C 1.693 176.595 174.900 0.003 0.000 1.158 148 G CA 1.564 46.668 45.100 0.008 0.000 0.771 148 G HN 0.467 nan 8.290 nan 0.000 0.545 149 T N 1.398 115.953 114.554 0.001 0.000 2.684 149 T HA -0.090 4.260 4.350 0.000 0.000 0.267 149 T C 2.385 177.082 174.700 -0.004 0.000 1.036 149 T CA 1.146 63.244 62.100 -0.002 0.000 1.148 149 T CB -0.191 68.675 68.868 -0.003 0.000 0.863 149 T HN 0.238 nan 8.240 nan 0.000 0.436 150 I N 1.302 121.869 120.570 -0.004 0.000 2.226 150 I HA -0.139 4.031 4.170 0.000 0.000 0.245 150 I C 2.152 178.265 176.117 -0.006 0.000 1.100 150 I CA 1.013 62.310 61.300 -0.006 0.000 1.374 150 I CB -0.239 37.758 38.000 -0.005 0.000 1.057 150 I HN 0.147 nan 8.210 nan 0.000 0.413 151 S N 0.449 116.148 115.700 -0.002 0.000 2.660 151 S HA 0.222 4.692 4.470 0.000 0.000 0.223 151 S C 1.068 175.664 174.600 -0.007 0.000 0.963 151 S CA 0.603 58.802 58.200 -0.002 0.000 0.932 151 S CB 0.052 63.255 63.200 0.006 0.000 0.775 151 S HN 0.477 nan 8.310 nan 0.000 0.531 152 A N 1.636 124.451 122.820 -0.008 0.000 2.610 152 A HA 0.428 4.748 4.320 0.000 0.000 0.290 152 A C 0.110 177.687 177.584 -0.012 0.000 1.001 152 A CA -0.738 51.292 52.037 -0.011 0.000 1.004 152 A CB -0.091 18.904 19.000 -0.010 0.000 1.220 152 A HN 0.216 nan 8.150 nan 0.000 0.507 153 N N 0.276 118.968 118.700 -0.013 0.000 2.738 153 N HA -0.179 4.562 4.740 0.000 0.000 0.249 153 N C 0.371 175.873 175.510 -0.013 0.000 1.047 153 N CA 1.265 54.307 53.050 -0.014 0.000 0.707 153 N CB -2.124 36.355 38.487 -0.015 0.000 0.937 153 N HN 0.770 nan 8.380 nan 0.000 0.545 154 S N -2.452 113.241 115.700 -0.012 0.000 3.476 154 S HA -0.229 4.241 4.470 0.000 0.000 0.309 154 S C -0.089 174.505 174.600 -0.010 0.000 1.222 154 S CA 1.046 59.239 58.200 -0.011 0.000 0.922 154 S CB -0.763 62.429 63.200 -0.014 0.000 1.023 154 S HN 0.710 nan 8.310 nan 0.000 0.591 155 D N 1.388 121.783 120.400 -0.009 0.000 2.374 155 D HA 0.268 4.908 4.640 0.000 0.000 0.240 155 D C 1.022 177.318 176.300 -0.006 0.000 1.229 155 D CA -0.123 53.872 54.000 -0.008 0.000 0.895 155 D CB 0.491 41.286 40.800 -0.008 0.000 1.046 155 D HN 0.466 nan 8.370 nan 0.000 0.498 156 E N 1.196 121.392 120.200 -0.005 0.000 2.268 156 E HA -0.107 4.243 4.350 0.000 0.000 0.195 156 E C 1.436 178.034 176.600 -0.003 0.000 0.995 156 E CA 0.896 57.293 56.400 -0.004 0.000 0.836 156 E CB 0.325 30.023 29.700 -0.004 0.000 0.763 156 E HN 0.514 nan 8.360 nan 0.000 0.491 157 T N 0.409 114.961 114.554 -0.003 0.000 2.746 157 T HA -0.132 4.219 4.350 0.000 0.000 0.267 157 T C 2.084 176.783 174.700 -0.002 0.000 1.039 157 T CA 1.038 63.136 62.100 -0.003 0.000 1.142 157 T CB -0.180 68.686 68.868 -0.004 0.000 0.866 157 T HN 0.005 nan 8.240 nan 0.000 0.444 158 V N 1.539 121.452 119.914 -0.003 0.000 2.358 158 V HA -0.039 4.081 4.120 0.000 0.000 0.246 158 V C 2.931 179.026 176.094 0.001 0.000 1.047 158 V CA 1.862 64.161 62.300 -0.002 0.000 1.035 158 V CB -1.437 30.384 31.823 -0.004 0.000 0.658 158 V HN 0.586 nan 8.190 nan 0.000 0.452 159 G N -0.355 108.445 108.800 0.001 0.000 2.421 159 G HA2 -0.315 3.645 3.960 0.000 0.000 0.216 159 G HA3 -0.315 3.645 3.960 0.000 0.000 0.216 159 G C 1.647 176.549 174.900 0.003 0.000 1.171 159 G CA 1.135 46.236 45.100 0.002 0.000 0.775 159 G HN 0.478 nan 8.290 nan 0.000 0.543 160 K N -0.171 120.230 120.400 0.001 0.000 2.032 160 K HA 0.024 4.344 4.320 0.000 0.000 0.209 160 K C 2.545 179.146 176.600 0.002 0.000 1.048 160 K CA 0.925 57.213 56.287 0.001 0.000 0.927 160 K CB -0.281 32.219 32.500 -0.000 0.000 0.712 160 K HN 0.326 nan 8.250 nan 0.000 0.441 161 L N 0.766 121.990 121.223 0.002 0.000 1.989 161 L HA -0.225 4.115 4.340 0.000 0.000 0.211 161 L C 2.386 179.258 176.870 0.004 0.000 1.071 161 L CA 1.361 56.202 54.840 0.002 0.000 0.749 161 L CB -0.303 41.757 42.059 0.002 0.000 0.890 161 L HN 0.252 nan 8.230 nan 0.000 0.431 162 I N -0.600 119.974 120.570 0.006 0.000 2.226 162 I HA -0.301 3.869 4.170 0.000 0.000 0.245 162 I C 2.742 178.864 176.117 0.007 0.000 1.100 162 I CA 1.185 62.490 61.300 0.009 0.000 1.374 162 I CB -0.489 37.519 38.000 0.013 0.000 1.057 162 I HN 0.225 nan 8.210 nan 0.000 0.413 163 A N 0.449 123.273 122.820 0.006 0.000 1.902 163 A HA -0.241 4.079 4.320 0.000 0.000 0.217 163 A C 2.214 179.800 177.584 0.003 0.000 1.181 163 A CA 1.841 53.881 52.037 0.005 0.000 0.623 163 A CB -0.604 18.398 19.000 0.004 0.000 0.818 163 A HN 0.452 nan 8.150 nan 0.000 0.443 164 E N -0.409 119.792 120.200 0.003 0.000 2.106 164 E HA -0.045 4.305 4.350 0.000 0.000 0.192 164 E C 2.281 178.882 176.600 0.002 0.000 0.984 164 E CA 0.826 57.227 56.400 0.002 0.000 0.806 164 E CB -0.245 29.456 29.700 0.001 0.000 0.750 164 E HN 0.631 nan 8.360 nan 0.000 0.458 165 A N 1.054 123.876 122.820 0.003 0.000 1.873 165 A HA -0.152 4.168 4.320 0.000 0.000 0.215 165 A C 2.147 179.733 177.584 0.003 0.000 1.186 165 A CA 1.173 53.212 52.037 0.003 0.000 0.616 165 A CB -0.369 18.634 19.000 0.005 0.000 0.823 165 A HN 0.126 nan 8.150 nan 0.000 0.442 166 M N -0.933 118.669 119.600 0.004 0.000 2.296 166 M HA -0.146 4.334 4.480 0.000 0.000 0.265 166 M C 1.616 177.917 176.300 0.002 0.000 1.064 166 M CA 1.713 57.015 55.300 0.003 0.000 1.109 166 M CB -0.534 32.069 32.600 0.004 0.000 1.396 166 M HN 0.426 nan 8.290 nan 0.000 0.430 167 D N 0.563 120.964 120.400 0.002 0.000 2.219 167 D HA -0.095 4.545 4.640 0.000 0.000 0.205 167 D C 1.909 178.209 176.300 0.000 0.000 0.970 167 D CA 1.065 55.066 54.000 0.001 0.000 0.851 167 D CB 0.248 41.049 40.800 0.001 0.000 0.943 167 D HN 0.195 nan 8.370 nan 0.000 0.488 168 K N -0.650 119.750 120.400 0.000 0.000 2.137 168 K HA -0.004 4.316 4.320 0.000 0.000 0.202 168 K C 1.601 178.200 176.600 -0.001 0.000 1.052 168 K CA 1.082 57.368 56.287 -0.000 0.000 0.961 168 K CB 0.569 33.069 32.500 -0.000 0.000 0.741 168 K HN 0.179 nan 8.250 nan 0.000 0.452 169 V N -3.529 116.385 119.914 -0.001 0.000 3.477 169 V HA 0.393 4.513 4.120 0.000 0.000 0.297 169 V C 0.501 176.594 176.094 -0.002 0.000 1.433 169 V CA 0.047 62.346 62.300 -0.001 0.000 1.052 169 V CB -0.027 31.795 31.823 -0.001 0.000 0.895 169 V HN 0.339 nan 8.190 nan 0.000 0.438 170 G N 1.593 110.393 108.800 -0.001 0.000 2.728 170 G HA2 -0.168 3.792 3.960 0.000 0.000 0.294 170 G HA3 -0.168 3.792 3.960 0.000 0.000 0.294 170 G C 0.237 175.136 174.900 -0.001 0.000 1.342 170 G CA 0.052 45.151 45.100 -0.001 0.000 0.866 170 G HN 0.214 nan 8.290 nan 0.000 0.534 171 K N 0.288 120.687 120.400 -0.001 0.000 2.057 171 K HA -0.025 4.295 4.320 0.000 0.000 0.206 171 K C 2.217 178.814 176.600 -0.004 0.000 1.050 171 K CA 1.925 58.211 56.287 -0.002 0.000 0.935 171 K CB -0.227 32.273 32.500 -0.001 0.000 0.715 171 K HN 0.652 nan 8.250 nan 0.000 0.439 172 E N 0.917 121.114 120.200 -0.004 0.000 2.208 172 E HA -0.034 4.316 4.350 0.000 0.000 0.193 172 E C 1.216 177.812 176.600 -0.007 0.000 0.988 172 E CA 0.253 56.649 56.400 -0.006 0.000 0.828 172 E CB -0.394 29.303 29.700 -0.005 0.000 0.763 172 E HN 0.252 nan 8.360 nan 0.000 0.478 173 G N 1.537 110.334 108.800 -0.005 0.000 2.647 173 G HA2 0.138 4.098 3.960 0.000 0.000 0.234 173 G HA3 0.138 4.098 3.960 0.000 0.000 0.234 173 G C 0.100 174.995 174.900 -0.007 0.000 1.252 173 G CA -0.406 44.691 45.100 -0.005 0.000 0.846 173 G HN -0.023 nan 8.290 nan 0.000 0.589 174 V N 1.882 121.792 119.914 -0.007 0.000 2.432 174 V HA 0.380 4.500 4.120 0.000 0.000 0.275 174 V C 0.348 176.438 176.094 -0.006 0.000 1.043 174 V CA -0.125 62.168 62.300 -0.011 0.000 0.925 174 V CB 0.862 32.678 31.823 -0.012 0.000 0.985 174 V HN 0.489 nan 8.190 nan 0.000 0.466 175 I N 3.758 124.325 120.570 -0.004 0.000 2.465 175 I HA 0.524 4.694 4.170 0.000 0.000 0.291 175 I C 0.022 176.145 176.117 0.009 0.000 1.014 175 I CA -0.164 61.138 61.300 0.004 0.000 1.093 175 I CB 2.328 40.334 38.000 0.010 0.000 1.267 175 I HN 0.490 nan 8.210 nan 0.000 0.431 176 T N 4.871 119.430 114.554 0.008 0.000 2.887 176 T HA 0.599 4.949 4.350 0.000 0.000 0.288 176 T C -0.571 174.136 174.700 0.011 0.000 1.021 176 T CA -0.505 61.601 62.100 0.010 0.000 1.000 176 T CB 2.208 71.076 68.868 0.000 0.000 1.034 176 T HN 0.204 nan 8.240 nan 0.000 0.467 177 V N 2.975 122.897 119.914 0.014 0.000 2.448 177 V HA 0.551 4.672 4.120 0.000 0.000 0.295 177 V C -0.062 176.034 176.094 0.004 0.000 1.025 177 V CA -0.742 61.563 62.300 0.009 0.000 0.859 177 V CB 1.659 33.487 31.823 0.009 0.000 0.988 177 V HN 0.843 nan 8.190 nan 0.000 0.431 178 E N 1.466 121.666 120.200 0.001 0.000 2.359 178 E HA 0.404 4.754 4.350 0.000 0.000 0.266 178 E C -1.438 175.161 176.600 -0.002 0.000 0.920 178 E CA -1.054 55.345 56.400 -0.001 0.000 0.788 178 E CB 1.931 31.629 29.700 -0.002 0.000 1.279 178 E HN 0.645 nan 8.360 nan 0.000 0.438 179 D N 0.682 121.081 120.400 -0.002 0.000 2.443 179 D HA 0.174 4.814 4.640 0.000 0.000 0.239 179 D C 0.125 176.424 176.300 -0.002 0.000 1.136 179 D CA 0.458 54.457 54.000 -0.002 0.000 0.879 179 D CB 0.772 41.572 40.800 -0.001 0.000 1.195 179 D HN 0.463 nan 8.370 nan 0.000 0.443 180 G N -0.292 108.506 108.800 -0.003 0.000 2.562 180 G HA2 0.360 4.320 3.960 0.000 0.000 0.275 180 G HA3 0.360 4.320 3.960 0.000 0.000 0.275 180 G C 0.853 175.751 174.900 -0.002 0.000 1.196 180 G CA -0.207 44.891 45.100 -0.003 0.000 0.908 180 G HN 0.484 nan 8.290 nan 0.000 0.524 181 T N -3.261 111.292 114.554 -0.002 0.000 3.001 181 T HA 0.515 4.865 4.350 0.000 0.000 0.251 181 T C 0.998 175.696 174.700 -0.002 0.000 1.040 181 T CA 0.775 62.874 62.100 -0.002 0.000 0.985 181 T CB 0.486 69.353 68.868 -0.003 0.000 1.011 181 T HN 1.168 nan 8.240 nan 0.000 0.509 182 G N 0.906 109.705 108.800 -0.002 0.000 2.694 182 G HA2 0.449 4.409 3.960 0.000 0.000 0.246 182 G HA3 0.449 4.409 3.960 0.000 0.000 0.246 182 G C -0.147 174.752 174.900 -0.002 0.000 1.205 182 G CA -0.108 44.991 45.100 -0.002 0.000 0.891 182 G HN 0.141 nan 8.290 nan 0.000 0.515 183 L N 0.431 121.653 121.223 -0.002 0.000 2.095 183 L HA 0.319 4.659 4.340 0.000 0.000 0.204 183 L C 1.438 178.306 176.870 -0.002 0.000 1.080 183 L CA 1.747 56.585 54.840 -0.002 0.000 0.759 183 L CB -0.561 41.496 42.059 -0.002 0.000 0.914 183 L HN 0.664 nan 8.230 nan 0.000 0.439 184 Q N -0.093 119.705 119.800 -0.002 0.000 2.226 184 Q HA 0.270 4.610 4.340 0.000 0.000 0.256 184 Q C -0.995 175.004 176.000 -0.002 0.000 0.962 184 Q CA -0.930 54.872 55.803 -0.002 0.000 0.887 184 Q CB 1.022 29.759 28.738 -0.002 0.000 1.282 184 Q HN 0.160 nan 8.270 nan 0.000 0.449 185 D N 1.424 121.822 120.400 -0.002 0.000 2.361 185 D HA 0.128 4.768 4.640 0.000 0.000 0.239 185 D C -0.459 175.839 176.300 -0.002 0.000 1.200 185 D CA 0.351 54.350 54.000 -0.002 0.000 0.915 185 D CB 0.823 41.622 40.800 -0.002 0.000 1.170 185 D HN 0.476 nan 8.370 nan 0.000 0.444 186 E N -0.344 119.855 120.200 -0.002 0.000 2.340 186 E HA 0.525 4.875 4.350 0.000 0.000 0.273 186 E C -1.220 175.379 176.600 -0.002 0.000 0.891 186 E CA -0.875 55.524 56.400 -0.002 0.000 0.757 186 E CB 2.521 32.220 29.700 -0.003 0.000 1.231 186 E HN 0.071 nan 8.360 nan 0.000 0.439 187 L N 2.409 123.631 121.223 -0.002 0.000 2.439 187 L HA 0.507 4.847 4.340 0.000 0.000 0.270 187 L C -1.846 175.022 176.870 -0.002 0.000 0.972 187 L CA -0.155 54.684 54.840 -0.001 0.000 0.836 187 L CB 1.533 43.592 42.059 -0.001 0.000 1.255 187 L HN 0.421 nan 8.230 nan 0.000 0.404 188 D N 3.614 124.012 120.400 -0.002 0.000 2.819 188 D HA 0.485 5.125 4.640 0.000 0.000 0.232 188 D C -1.189 175.109 176.300 -0.003 0.000 1.160 188 D CA -0.188 53.810 54.000 -0.003 0.000 0.858 188 D CB 3.091 43.889 40.800 -0.004 0.000 1.610 188 D HN 0.256 nan 8.370 nan 0.000 0.481 189 V N 1.860 121.772 119.914 -0.003 0.000 2.370 189 V HA 0.439 4.559 4.120 0.000 0.000 0.279 189 V C 0.461 176.553 176.094 -0.004 0.000 1.029 189 V CA -0.633 61.665 62.300 -0.003 0.000 0.870 189 V CB 1.241 33.062 31.823 -0.003 0.000 0.984 189 V HN 0.413 nan 8.190 nan 0.000 0.451 190 V N 1.550 121.461 119.914 -0.005 0.000 3.046 190 V HA 0.679 4.799 4.120 0.000 0.000 0.316 190 V C -0.149 175.943 176.094 -0.005 0.000 1.104 190 V CA -1.076 61.221 62.300 -0.006 0.000 1.006 190 V CB 2.080 33.898 31.823 -0.008 0.000 1.058 190 V HN 0.689 nan 8.190 nan 0.000 0.440 191 E N 1.732 121.929 120.200 -0.005 0.000 2.406 191 E HA 0.507 4.857 4.350 0.000 0.000 0.258 191 E C 0.271 176.871 176.600 0.000 0.000 1.043 191 E CA 0.887 57.285 56.400 -0.003 0.000 0.929 191 E CB 0.657 30.354 29.700 -0.005 0.000 0.969 191 E HN 1.171 nan 8.360 nan 0.000 0.462 192 G N 1.574 110.377 108.800 0.006 0.000 2.600 192 G HA2 0.616 4.576 3.960 0.000 0.000 0.293 192 G HA3 0.616 4.576 3.960 0.000 0.000 0.293 192 G C -1.288 173.627 174.900 0.025 0.000 1.408 192 G CA -0.715 44.393 45.100 0.012 0.000 0.782 192 G HN 0.399 nan 8.290 nan 0.000 0.482 193 M N -0.044 119.578 119.600 0.037 0.000 2.490 193 M HA 0.557 5.037 4.480 0.000 0.000 0.286 193 M C -2.228 174.106 176.300 0.058 0.000 1.185 193 M CA -0.622 54.718 55.300 0.068 0.000 0.912 193 M CB 2.473 35.143 32.600 0.116 0.000 1.744 193 M HN 0.651 nan 8.290 nan 0.000 0.494 194 Q N 3.797 123.632 119.800 0.057 0.000 2.323 194 Q HA 0.658 4.999 4.340 0.000 0.000 0.271 194 Q C -2.132 173.908 176.000 0.066 0.000 1.048 194 Q CA -0.624 55.162 55.803 -0.030 0.000 0.792 194 Q CB 1.969 30.671 28.738 -0.060 0.000 1.280 194 Q HN 0.620 nan 8.270 nan 0.000 0.441 195 F N -0.200 119.741 119.950 -0.015 0.000 2.611 195 F HA 0.546 5.073 4.527 0.000 0.000 0.324 195 F C -0.640 175.150 175.800 -0.016 0.000 1.061 195 F CA -1.241 56.750 58.000 -0.014 0.000 0.954 195 F CB 1.051 40.045 39.000 -0.010 0.000 1.301 195 F HN 0.361 nan 8.300 nan 0.000 0.482 196 D N 1.522 122.043 120.400 0.201 0.000 2.994 196 D HA 0.241 4.881 4.640 0.000 0.000 0.240 196 D C -0.586 175.779 176.300 0.108 0.000 1.195 196 D CA -0.017 54.031 54.000 0.080 0.000 0.957 196 D CB -0.034 40.807 40.800 0.069 0.000 1.105 196 D HN 0.207 nan 8.370 nan 0.000 0.477 197 R N 0.653 121.204 120.500 0.085 0.000 2.574 197 R HA 0.607 4.948 4.340 0.000 0.000 0.288 197 R C 0.215 176.478 176.300 -0.062 0.000 1.004 197 R CA -0.709 55.449 56.100 0.097 0.000 0.895 197 R CB 2.053 32.559 30.300 0.344 0.000 1.191 197 R HN 0.266 nan 8.270 nan 0.000 0.444 198 G N 1.103 109.841 108.800 -0.105 0.000 2.642 198 G HA2 0.418 4.378 3.960 0.000 0.000 0.291 198 G HA3 0.418 4.378 3.960 0.000 0.000 0.291 198 G C -0.673 174.147 174.900 -0.133 0.000 1.345 198 G CA -0.576 44.387 45.100 -0.228 0.000 1.043 198 G HN 0.465 nan 8.290 nan 0.000 0.528 199 Y N -1.200 119.125 120.300 0.042 0.000 2.597 199 Y HA 0.342 4.892 4.550 0.000 0.000 0.336 199 Y C 1.100 177.092 175.900 0.154 0.000 1.216 199 Y CA -0.914 57.248 58.100 0.105 0.000 1.463 199 Y CB 0.476 39.040 38.460 0.174 0.000 1.303 199 Y HN 0.166 nan 8.280 nan 0.000 0.576 200 L N 1.877 123.364 121.223 0.441 0.000 2.591 200 L HA 0.142 4.482 4.340 0.000 0.000 0.228 200 L C 0.562 177.655 176.870 0.372 0.000 1.133 200 L CA 0.628 55.680 54.840 0.353 0.000 0.880 200 L CB -0.009 42.227 42.059 0.295 0.000 1.033 200 L HN 0.784 nan 8.230 nan 0.000 0.450 201 S N -1.623 114.362 115.700 0.474 0.000 2.562 201 S HA 0.350 4.820 4.470 0.000 0.000 0.274 201 S C -2.276 172.255 174.600 -0.116 0.000 1.160 201 S CA -0.925 57.320 58.200 0.074 0.000 0.933 201 S CB 1.629 64.648 63.200 -0.302 0.000 1.100 201 S HN -0.242 nan 8.310 nan 0.000 0.468 202 P HA -0.001 nan 4.420 nan 0.000 0.225 202 P C 0.193 177.125 177.300 -0.614 0.000 1.148 202 P CA 0.888 63.607 63.100 -0.634 0.000 0.779 202 P CB -0.092 31.297 31.700 -0.520 0.000 0.780 203 Y N -3.039 117.059 120.300 -0.337 0.000 2.502 203 Y HA 0.127 4.677 4.550 0.000 0.000 0.295 203 Y C 1.502 177.215 175.900 -0.312 0.000 1.193 203 Y CA 0.028 57.943 58.100 -0.308 0.000 1.295 203 Y CB -1.110 37.172 38.460 -0.298 0.000 1.059 203 Y HN -0.078 nan 8.280 nan 0.000 0.514 204 F N -0.313 119.581 119.950 -0.093 0.000 2.512 204 F HA 0.109 4.637 4.527 0.000 0.000 0.296 204 F C 1.029 176.761 175.800 -0.113 0.000 1.110 204 F CA -0.573 57.382 58.000 -0.075 0.000 1.446 204 F CB -0.404 38.563 39.000 -0.055 0.000 1.092 204 F HN -0.152 nan 8.300 nan 0.000 0.554 205 I N 2.859 123.392 120.570 -0.062 0.000 2.752 205 I HA -0.167 4.003 4.170 0.000 0.000 0.286 205 I C 1.056 177.172 176.117 -0.001 0.000 1.180 205 I CA 0.182 61.436 61.300 -0.077 0.000 1.404 205 I CB 0.191 38.088 38.000 -0.172 0.000 1.389 205 I HN 0.198 nan 8.210 nan 0.000 0.549 206 N N 6.133 124.847 118.700 0.023 0.000 2.414 206 N HA -0.013 4.727 4.740 0.000 0.000 0.177 206 N C 0.179 175.699 175.510 0.017 0.000 1.062 206 N CA 0.320 53.385 53.050 0.026 0.000 0.890 206 N CB 0.305 38.815 38.487 0.038 0.000 1.070 206 N HN 0.409 nan 8.380 nan 0.000 0.454 207 K N 1.448 121.858 120.400 0.016 0.000 2.354 207 K HA 0.288 4.608 4.320 0.000 0.000 0.257 207 K C -2.012 174.595 176.600 0.011 0.000 1.062 207 K CA -1.715 54.581 56.287 0.015 0.000 0.971 207 K CB 2.076 34.587 32.500 0.018 0.000 1.305 207 K HN 0.015 nan 8.250 nan 0.000 0.449 208 P HA -0.122 nan 4.420 nan 0.000 0.225 208 P C 1.028 178.334 177.300 0.010 0.000 1.156 208 P CA 0.563 63.666 63.100 0.005 0.000 0.787 208 P CB 0.405 32.109 31.700 0.007 0.000 0.802 209 E N 0.321 120.527 120.200 0.010 0.000 2.047 209 E HA -0.130 4.220 4.350 0.000 0.000 0.191 209 E C 1.436 178.040 176.600 0.006 0.000 0.987 209 E CA 2.104 58.508 56.400 0.007 0.000 0.799 209 E CB -0.535 29.168 29.700 0.005 0.000 0.752 209 E HN 0.245 nan 8.360 nan 0.000 0.449 210 T N -2.384 112.177 114.554 0.011 0.000 3.085 210 T HA 0.145 4.495 4.350 0.000 0.000 0.263 210 T C 1.408 176.132 174.700 0.040 0.000 1.127 210 T CA 0.761 62.872 62.100 0.018 0.000 1.103 210 T CB -0.207 68.674 68.868 0.022 0.000 0.921 210 T HN 0.317 nan 8.240 nan 0.000 0.510 211 G N 1.246 110.067 108.800 0.036 0.000 2.273 211 G HA2 0.088 4.048 3.960 0.000 0.000 0.280 211 G HA3 0.088 4.048 3.960 0.000 0.000 0.280 211 G C 0.061 175.017 174.900 0.094 0.000 1.047 211 G CA -0.001 45.129 45.100 0.049 0.000 0.869 211 G HN 1.203 nan 8.290 nan 0.000 0.502 212 A N -1.267 121.596 122.820 0.073 0.000 2.469 212 A HA 0.905 5.225 4.320 0.000 0.000 0.299 212 A C 0.027 177.653 177.584 0.071 0.000 1.098 212 A CA -0.216 51.889 52.037 0.112 0.000 0.737 212 A CB 1.893 20.948 19.000 0.092 0.000 1.312 212 A HN 1.249 nan 8.150 nan 0.000 0.414 213 V N 0.737 120.713 119.914 0.104 0.000 2.732 213 V HA 0.518 4.638 4.120 0.000 0.000 0.297 213 V C 0.253 176.376 176.094 0.048 0.000 1.060 213 V CA -0.078 62.265 62.300 0.071 0.000 1.038 213 V CB 1.197 33.074 31.823 0.090 0.000 1.003 213 V HN 0.934 nan 8.190 nan 0.000 0.481 214 E N 3.558 123.778 120.200 0.032 0.000 2.448 214 E HA 0.450 4.800 4.350 0.000 0.000 0.288 214 E C -1.758 174.851 176.600 0.015 0.000 0.936 214 E CA -0.462 55.949 56.400 0.020 0.000 0.809 214 E CB 1.109 30.821 29.700 0.019 0.000 1.408 214 E HN 0.657 nan 8.360 nan 0.000 0.393 215 L N 4.289 125.517 121.223 0.007 0.000 2.307 215 L HA 0.467 4.807 4.340 0.000 0.000 0.284 215 L C -0.023 176.847 176.870 0.000 0.000 1.023 215 L CA -0.823 54.022 54.840 0.008 0.000 0.810 215 L CB 1.504 43.567 42.059 0.006 0.000 1.231 215 L HN 0.531 nan 8.230 nan 0.000 0.423 216 E N 1.218 121.420 120.200 0.002 0.000 2.156 216 E HA 0.389 4.740 4.350 0.000 0.000 0.279 216 E C -0.451 176.140 176.600 -0.015 0.000 0.965 216 E CA -0.836 55.559 56.400 -0.007 0.000 0.789 216 E CB 1.486 31.184 29.700 -0.004 0.000 1.098 216 E HN 0.511 nan 8.360 nan 0.000 0.397 217 S N 2.047 117.723 115.700 -0.040 0.000 3.628 217 S HA -0.114 4.357 4.470 0.000 0.000 0.373 217 S C -2.203 172.336 174.600 -0.102 0.000 0.968 217 S CA 0.654 58.805 58.200 -0.081 0.000 1.215 217 S CB -1.536 61.623 63.200 -0.068 0.000 0.912 217 S HN 0.674 nan 8.310 nan 0.000 0.495 218 P HA 0.612 nan 4.420 nan 0.000 0.285 218 P C -0.207 177.022 177.300 -0.119 0.000 1.269 218 P CA -0.756 62.328 63.100 -0.027 0.000 0.844 218 P CB 0.544 32.251 31.700 0.012 0.000 1.094 219 F N 0.554 120.504 119.950 0.001 0.000 2.384 219 F HA 0.401 4.928 4.527 0.000 0.000 0.338 219 F C 0.872 176.672 175.800 0.002 0.000 1.103 219 F CA -0.228 57.774 58.000 0.002 0.000 1.157 219 F CB 0.648 39.650 39.000 0.002 0.000 1.167 219 F HN 0.021 nan 8.300 nan 0.000 0.529 220 I N 4.162 124.831 120.570 0.165 0.000 2.404 220 I HA 0.307 4.477 4.170 0.000 0.000 0.293 220 I C -1.116 175.059 176.117 0.097 0.000 0.992 220 I CA -0.895 60.465 61.300 0.100 0.000 1.149 220 I CB 1.823 39.859 38.000 0.060 0.000 1.315 220 I HN 0.323 nan 8.210 nan 0.000 0.446 221 L N 7.852 129.117 121.223 0.070 0.000 2.287 221 L HA 0.522 4.862 4.340 0.000 0.000 0.287 221 L C -1.253 175.636 176.870 0.033 0.000 1.022 221 L CA -0.319 54.551 54.840 0.050 0.000 0.814 221 L CB 0.939 43.021 42.059 0.039 0.000 1.217 221 L HN 0.340 nan 8.230 nan 0.000 0.420 222 L N 5.802 127.039 121.223 0.024 0.000 2.280 222 L HA 0.779 5.119 4.340 0.000 0.000 0.287 222 L C -0.004 176.869 176.870 0.005 0.000 1.023 222 L CA -0.551 54.293 54.840 0.007 0.000 0.819 222 L CB 0.588 42.646 42.059 -0.001 0.000 1.212 222 L HN 0.806 nan 8.230 nan 0.000 0.420 223 A N 2.205 125.026 122.820 0.002 0.000 2.374 223 A HA 0.431 4.751 4.320 0.000 0.000 0.305 223 A C 0.629 178.213 177.584 -0.001 0.000 1.053 223 A CA -0.466 51.574 52.037 0.003 0.000 0.726 223 A CB 1.142 20.148 19.000 0.010 0.000 1.229 223 A HN 0.704 nan 8.150 nan 0.000 0.431 224 D N 1.104 121.503 120.400 -0.002 0.000 2.269 224 D HA -0.043 4.597 4.640 0.000 0.000 0.208 224 D C 0.687 176.990 176.300 0.005 0.000 0.963 224 D CA 0.992 54.990 54.000 -0.003 0.000 0.864 224 D CB 0.409 41.207 40.800 -0.004 0.000 0.936 224 D HN 0.751 nan 8.370 nan 0.000 0.505 225 K N -0.012 120.393 120.400 0.009 0.000 2.148 225 K HA 0.335 4.655 4.320 0.000 0.000 0.239 225 K C -0.090 176.521 176.600 0.019 0.000 1.018 225 K CA -0.699 55.597 56.287 0.014 0.000 0.923 225 K CB 1.191 33.699 32.500 0.013 0.000 1.117 225 K HN -0.371 nan 8.250 nan 0.000 0.477 226 K N 0.953 121.366 120.400 0.022 0.000 2.258 226 K HA 0.273 4.593 4.320 0.000 0.000 0.284 226 K C -0.616 176.001 176.600 0.028 0.000 1.051 226 K CA -0.347 55.956 56.287 0.028 0.000 0.923 226 K CB 0.715 33.232 32.500 0.028 0.000 1.046 226 K HN 0.448 nan 8.250 nan 0.000 0.474 227 I N 2.474 123.064 120.570 0.033 0.000 2.312 227 I HA 0.024 4.194 4.170 0.000 0.000 0.291 227 I C 0.607 176.747 176.117 0.038 0.000 1.031 227 I CA 0.187 61.508 61.300 0.034 0.000 1.293 227 I CB 1.451 39.474 38.000 0.038 0.000 1.403 227 I HN 0.684 nan 8.210 nan 0.000 0.484 228 S N 3.744 119.463 115.700 0.032 0.000 2.619 228 S HA 0.215 4.685 4.470 0.000 0.000 0.238 228 S C 0.456 175.073 174.600 0.028 0.000 1.068 228 S CA -0.248 57.971 58.200 0.031 0.000 0.926 228 S CB 0.312 63.527 63.200 0.025 0.000 0.864 228 S HN 0.615 nan 8.310 nan 0.000 0.493 229 N N 0.860 119.575 118.700 0.025 0.000 2.314 229 N HA 0.399 5.140 4.740 0.000 0.000 0.304 229 N C -0.140 175.384 175.510 0.023 0.000 1.073 229 N CA -0.293 52.770 53.050 0.021 0.000 0.822 229 N CB 2.054 40.551 38.487 0.016 0.000 1.280 229 N HN -0.040 nan 8.380 nan 0.000 0.489 230 I N 2.644 123.227 120.570 0.022 0.000 2.928 230 I HA -0.099 4.071 4.170 0.000 0.000 0.266 230 I C 2.508 178.634 176.117 0.015 0.000 1.234 230 I CA 0.773 62.086 61.300 0.022 0.000 1.483 230 I CB -0.100 37.913 38.000 0.022 0.000 1.097 230 I HN 0.507 nan 8.210 nan 0.000 0.455 231 R N 0.180 120.687 120.500 0.012 0.000 2.189 231 R HA -0.125 4.215 4.340 0.000 0.000 0.223 231 R C 1.415 177.719 176.300 0.007 0.000 1.092 231 R CA 1.367 57.471 56.100 0.008 0.000 0.989 231 R CB -0.836 29.468 30.300 0.006 0.000 0.876 231 R HN 0.427 nan 8.270 nan 0.000 0.457 232 E N 0.881 121.086 120.200 0.009 0.000 2.152 232 E HA -0.034 4.316 4.350 0.000 0.000 0.192 232 E C 2.043 178.647 176.600 0.006 0.000 0.983 232 E CA 0.993 57.398 56.400 0.008 0.000 0.818 232 E CB -0.006 29.701 29.700 0.011 0.000 0.758 232 E HN 0.287 nan 8.360 nan 0.000 0.467 233 M N 0.371 119.977 119.600 0.009 0.000 2.349 233 M HA -0.008 4.472 4.480 0.000 0.000 0.266 233 M C 2.275 178.576 176.300 0.001 0.000 1.076 233 M CA 0.782 56.087 55.300 0.008 0.000 1.126 233 M CB -0.627 31.983 32.600 0.017 0.000 1.392 233 M HN 0.154 nan 8.290 nan 0.000 0.440 234 L N 0.578 121.801 121.223 0.001 0.000 2.011 234 L HA -0.269 4.071 4.340 0.000 0.000 0.225 234 L C -0.386 176.477 176.870 -0.012 0.000 1.084 234 L CA 2.304 57.141 54.840 -0.004 0.000 0.791 234 L CB -2.162 39.895 42.059 -0.003 0.000 0.898 234 L HN 0.191 nan 8.230 nan 0.000 0.440 235 P HA -0.105 nan 4.420 nan 0.000 0.217 235 P C 1.807 179.087 177.300 -0.033 0.000 1.150 235 P CA 1.030 64.117 63.100 -0.021 0.000 0.832 235 P CB 0.068 31.757 31.700 -0.017 0.000 0.787 236 V N -0.360 119.535 119.914 -0.031 0.000 2.270 236 V HA -0.196 3.924 4.120 0.000 0.000 0.245 236 V C 2.469 178.530 176.094 -0.056 0.000 1.043 236 V CA 1.556 63.828 62.300 -0.046 0.000 1.014 236 V CB -1.310 30.496 31.823 -0.029 0.000 0.645 236 V HN 0.043 nan 8.190 nan 0.000 0.447 237 L N -0.221 120.982 121.223 -0.033 0.000 2.131 237 L HA -0.139 4.201 4.340 0.000 0.000 0.210 237 L C 2.720 179.568 176.870 -0.037 0.000 1.092 237 L CA 1.293 56.117 54.840 -0.028 0.000 0.759 237 L CB -0.510 41.546 42.059 -0.006 0.000 0.903 237 L HN 0.387 nan 8.230 nan 0.000 0.435 238 E N -0.049 120.129 120.200 -0.037 0.000 2.158 238 E HA -0.108 4.242 4.350 0.000 0.000 0.191 238 E C 2.248 178.814 176.600 -0.056 0.000 0.982 238 E CA 1.142 57.520 56.400 -0.037 0.000 0.823 238 E CB 0.007 29.690 29.700 -0.028 0.000 0.766 238 E HN 0.460 nan 8.360 nan 0.000 0.468 239 A N 0.966 123.740 122.820 -0.077 0.000 1.968 239 A HA -0.048 4.272 4.320 0.000 0.000 0.217 239 A C 2.501 179.984 177.584 -0.168 0.000 1.169 239 A CA 0.742 52.713 52.037 -0.110 0.000 0.638 239 A CB -0.291 18.639 19.000 -0.117 0.000 0.812 239 A HN 0.093 nan 8.150 nan 0.000 0.446 240 V N -0.342 119.464 119.914 -0.179 0.000 2.407 240 V HA -0.133 3.987 4.120 0.000 0.000 0.245 240 V C 2.973 178.995 176.094 -0.119 0.000 1.041 240 V CA 1.627 63.786 62.300 -0.234 0.000 1.040 240 V CB -0.891 30.820 31.823 -0.187 0.000 0.671 240 V HN 0.562 nan 8.190 nan 0.000 0.455 241 A N -0.314 122.466 122.820 -0.066 0.000 2.070 241 A HA -0.228 4.092 4.320 0.000 0.000 0.220 241 A C 2.177 179.744 177.584 -0.027 0.000 1.159 241 A CA 2.008 54.028 52.037 -0.029 0.000 0.656 241 A CB -0.391 18.598 19.000 -0.018 0.000 0.800 241 A HN 0.469 nan 8.150 nan 0.000 0.453 242 K N -0.023 120.349 120.400 -0.046 0.000 2.057 242 K HA 0.067 4.387 4.320 0.000 0.000 0.206 242 K C 2.011 178.597 176.600 -0.023 0.000 1.050 242 K CA 1.344 57.611 56.287 -0.034 0.000 0.935 242 K CB -0.372 32.102 32.500 -0.045 0.000 0.715 242 K HN 0.341 nan 8.250 nan 0.000 0.439 243 A N -0.838 121.958 122.820 -0.041 0.000 2.014 243 A HA 0.143 4.463 4.320 0.000 0.000 0.218 243 A C 1.753 179.369 177.584 0.053 0.000 1.163 243 A CA 1.498 53.540 52.037 0.009 0.000 0.652 243 A CB -0.627 18.369 19.000 -0.007 0.000 0.808 243 A HN 0.518 nan 8.150 nan 0.000 0.449 244 G N -1.654 107.168 108.800 0.037 0.000 2.217 244 G HA2 -0.221 3.739 3.960 0.000 0.000 0.246 244 G HA3 -0.221 3.739 3.960 0.000 0.000 0.246 244 G C 0.316 175.265 174.900 0.082 0.000 0.990 244 G CA 0.439 45.568 45.100 0.050 0.000 0.627 244 G HN 0.445 nan 8.290 nan 0.000 0.522 245 K N 1.350 121.839 120.400 0.148 0.000 2.202 245 K HA 0.471 4.791 4.320 0.000 0.000 0.264 245 K C -2.032 174.676 176.600 0.179 0.000 1.010 245 K CA -1.659 54.746 56.287 0.197 0.000 0.940 245 K CB 0.641 33.355 32.500 0.356 0.000 0.983 245 K HN 0.152 nan 8.250 nan 0.000 0.475 246 P HA 0.178 nan 4.420 nan 0.000 0.275 246 P C -0.837 176.552 177.300 0.148 0.000 1.270 246 P CA -0.538 62.626 63.100 0.106 0.000 0.791 246 P CB 0.431 32.171 31.700 0.066 0.000 1.089 247 L N 0.340 121.620 121.223 0.094 0.000 2.436 247 L HA 0.573 4.913 4.340 0.000 0.000 0.268 247 L C -1.683 175.207 176.870 0.033 0.000 0.974 247 L CA -0.818 54.080 54.840 0.097 0.000 0.826 247 L CB 1.665 43.766 42.059 0.071 0.000 1.291 247 L HN 0.109 nan 8.230 nan 0.000 0.406 248 L N 5.813 127.060 121.223 0.040 0.000 2.295 248 L HA 0.667 5.007 4.340 0.000 0.000 0.285 248 L C -1.085 175.793 176.870 0.012 0.000 1.035 248 L CA 0.057 54.896 54.840 -0.001 0.000 0.806 248 L CB 1.291 43.358 42.059 0.012 0.000 1.214 248 L HN 0.603 nan 8.230 nan 0.000 0.426 249 I N 6.428 126.987 120.570 -0.019 0.000 2.355 249 I HA 0.388 4.558 4.170 0.000 0.000 0.288 249 I C -0.622 175.506 176.117 0.019 0.000 0.999 249 I CA -0.168 61.134 61.300 0.003 0.000 1.163 249 I CB 1.260 39.257 38.000 -0.005 0.000 1.316 249 I HN 0.472 nan 8.210 nan 0.000 0.454 250 I N 6.391 126.982 120.570 0.034 0.000 2.382 250 I HA 0.700 4.870 4.170 0.000 0.000 0.285 250 I C 0.118 176.244 176.117 0.015 0.000 1.007 250 I CA -0.129 61.193 61.300 0.037 0.000 1.142 250 I CB 1.347 39.368 38.000 0.034 0.000 1.289 250 I HN 0.654 nan 8.210 nan 0.000 0.453 251 A N 4.741 127.573 122.820 0.021 0.000 2.524 251 A HA 0.504 4.824 4.320 0.000 0.000 0.286 251 A C 0.737 178.331 177.584 0.017 0.000 1.203 251 A CA -0.510 51.536 52.037 0.016 0.000 0.736 251 A CB 1.251 20.266 19.000 0.025 0.000 1.322 251 A HN 0.681 nan 8.150 nan 0.000 0.424 252 E N -0.536 119.674 120.200 0.018 0.000 2.049 252 E HA -0.178 4.172 4.350 0.000 0.000 0.198 252 E C -0.428 176.195 176.600 0.039 0.000 1.007 252 E CA 1.927 58.343 56.400 0.026 0.000 0.809 252 E CB 0.123 29.839 29.700 0.028 0.000 0.749 252 E HN 0.561 nan 8.360 nan 0.000 0.450 253 D N -2.102 118.323 120.400 0.042 0.000 2.663 253 D HA 0.188 4.828 4.640 0.000 0.000 0.233 253 D C -1.805 174.530 176.300 0.057 0.000 1.240 253 D CA -0.449 53.583 54.000 0.053 0.000 0.774 253 D CB 2.009 42.838 40.800 0.049 0.000 1.443 253 D HN -0.210 nan 8.370 nan 0.000 0.441 254 V N 2.525 122.484 119.914 0.075 0.000 2.409 254 V HA 0.544 4.664 4.120 0.000 0.000 0.291 254 V C -0.153 175.993 176.094 0.087 0.000 1.020 254 V CA -0.531 61.819 62.300 0.084 0.000 0.848 254 V CB 1.594 33.482 31.823 0.109 0.000 0.990 254 V HN 0.433 nan 8.190 nan 0.000 0.430 255 E N 2.282 122.523 120.200 0.069 0.000 2.343 255 E HA 0.630 4.980 4.350 0.000 0.000 0.270 255 E C 0.706 177.336 176.600 0.051 0.000 0.895 255 E CA -0.041 56.394 56.400 0.059 0.000 0.767 255 E CB 2.462 32.189 29.700 0.045 0.000 1.248 255 E HN 0.835 nan 8.360 nan 0.000 0.440 256 G N 2.413 111.240 108.800 0.044 0.000 2.665 256 G HA2 -0.453 3.507 3.960 0.000 0.000 0.326 256 G HA3 -0.453 3.507 3.960 0.000 0.000 0.326 256 G C 1.077 175.996 174.900 0.032 0.000 1.231 256 G CA 0.812 45.932 45.100 0.033 0.000 0.992 256 G HN 0.663 nan 8.290 nan 0.000 0.549 257 E N 1.425 121.641 120.200 0.027 0.000 2.160 257 E HA -0.104 4.246 4.350 0.000 0.000 0.195 257 E C 2.907 179.526 176.600 0.031 0.000 0.991 257 E CA 2.178 58.592 56.400 0.023 0.000 0.810 257 E CB -0.528 29.183 29.700 0.018 0.000 0.742 257 E HN 0.766 nan 8.360 nan 0.000 0.466 258 A N 0.883 123.727 122.820 0.041 0.000 1.872 258 A HA -0.121 4.199 4.320 0.000 0.000 0.214 258 A C 2.170 179.800 177.584 0.076 0.000 1.187 258 A CA 1.104 53.172 52.037 0.053 0.000 0.614 258 A CB -0.592 18.441 19.000 0.054 0.000 0.826 258 A HN 0.312 nan 8.150 nan 0.000 0.442 259 L N -0.061 121.213 121.223 0.085 0.000 2.005 259 L HA -0.004 4.336 4.340 0.000 0.000 0.207 259 L C 2.685 179.599 176.870 0.072 0.000 1.072 259 L CA 2.277 57.187 54.840 0.116 0.000 0.744 259 L CB -0.938 41.189 42.059 0.114 0.000 0.895 259 L HN 0.335 nan 8.230 nan 0.000 0.433 260 A N -1.505 121.338 122.820 0.037 0.000 1.948 260 A HA -0.239 4.081 4.320 0.000 0.000 0.220 260 A C 2.230 179.814 177.584 -0.001 0.000 1.177 260 A CA 2.459 54.499 52.037 0.005 0.000 0.636 260 A CB -1.266 17.736 19.000 0.002 0.000 0.815 260 A HN 0.565 nan 8.150 nan 0.000 0.449 261 T N 0.324 114.890 114.554 0.020 0.000 2.857 261 T HA -0.020 4.330 4.350 0.000 0.000 0.266 261 T C 1.791 176.514 174.700 0.038 0.000 1.048 261 T CA 1.325 63.437 62.100 0.020 0.000 1.139 261 T CB -0.333 68.550 68.868 0.025 0.000 0.874 261 T HN 0.383 nan 8.240 nan 0.000 0.455 262 L N 0.745 122.016 121.223 0.079 0.000 2.056 262 L HA -0.066 4.274 4.340 0.000 0.000 0.207 262 L C 2.680 179.620 176.870 0.117 0.000 1.078 262 L CA 0.832 55.759 54.840 0.146 0.000 0.749 262 L CB -0.762 41.456 42.059 0.264 0.000 0.901 262 L HN 0.136 nan 8.230 nan 0.000 0.433 263 V N 0.026 119.934 119.914 -0.009 0.000 2.295 263 V HA -0.229 3.891 4.120 0.000 0.000 0.246 263 V C 2.505 178.530 176.094 -0.116 0.000 1.049 263 V CA 1.846 64.038 62.300 -0.181 0.000 1.024 263 V CB -0.444 31.235 31.823 -0.240 0.000 0.648 263 V HN 0.462 nan 8.190 nan 0.000 0.447 264 V N -1.574 118.290 119.914 -0.083 0.000 2.759 264 V HA -0.119 4.001 4.120 0.000 0.000 0.256 264 V C 2.053 178.120 176.094 -0.046 0.000 1.080 264 V CA 2.025 64.275 62.300 -0.083 0.000 1.101 264 V CB -0.889 30.891 31.823 -0.073 0.000 0.698 264 V HN 0.494 nan 8.190 nan 0.000 0.477 265 N N 0.704 119.398 118.700 -0.009 0.000 2.148 265 N HA -0.118 4.622 4.740 0.000 0.000 0.186 265 N C 2.024 177.548 175.510 0.023 0.000 1.031 265 N CA 2.118 55.175 53.050 0.012 0.000 0.848 265 N CB -0.348 38.160 38.487 0.034 0.000 1.005 265 N HN 0.575 nan 8.380 nan 0.000 0.427 266 T N 0.962 115.549 114.554 0.055 0.000 2.867 266 T HA 0.030 4.380 4.350 0.000 0.000 0.268 266 T C 1.957 176.676 174.700 0.032 0.000 1.057 266 T CA 0.780 62.927 62.100 0.079 0.000 1.136 266 T CB 0.023 69.007 68.868 0.193 0.000 0.874 266 T HN 0.115 nan 8.240 nan 0.000 0.466 267 M N -0.156 119.434 119.600 -0.016 0.000 2.319 267 M HA 0.080 4.560 4.480 0.000 0.000 0.265 267 M C 2.176 178.446 176.300 -0.050 0.000 1.068 267 M CA 1.268 56.537 55.300 -0.052 0.000 1.118 267 M CB -0.103 32.421 32.600 -0.126 0.000 1.395 267 M HN 0.102 nan 8.290 nan 0.000 0.435 268 R N -0.749 119.727 120.500 -0.040 0.000 2.334 268 R HA 0.125 4.465 4.340 0.000 0.000 0.216 268 R C 1.150 177.439 176.300 -0.019 0.000 0.905 268 R CA 0.542 56.620 56.100 -0.036 0.000 1.064 268 R CB 0.474 30.751 30.300 -0.039 0.000 1.046 268 R HN 0.555 nan 8.270 nan 0.000 0.508 269 G N 0.286 109.083 108.800 -0.005 0.000 2.259 269 G HA2 -0.263 3.697 3.960 0.000 0.000 0.217 269 G HA3 -0.263 3.697 3.960 0.000 0.000 0.217 269 G C 0.714 175.621 174.900 0.013 0.000 1.001 269 G CA -0.080 45.022 45.100 0.004 0.000 0.627 269 G HN 0.153 nan 8.290 nan 0.000 0.501 270 I N 0.902 121.478 120.570 0.011 0.000 2.163 270 I HA 0.155 4.325 4.170 0.000 0.000 0.240 270 I C 1.105 177.233 176.117 0.018 0.000 1.081 270 I CA 1.639 62.945 61.300 0.010 0.000 1.353 270 I CB 0.075 38.079 38.000 0.006 0.000 1.054 270 I HN 0.118 nan 8.210 nan 0.000 0.407 271 V N 0.659 120.590 119.914 0.028 0.000 2.531 271 V HA 0.290 4.410 4.120 0.000 0.000 0.301 271 V C -0.389 175.738 176.094 0.054 0.000 1.034 271 V CA -1.134 61.187 62.300 0.035 0.000 0.865 271 V CB 1.731 33.572 31.823 0.030 0.000 0.995 271 V HN -0.003 nan 8.190 nan 0.000 0.424 272 K N 3.164 123.596 120.400 0.055 0.000 2.349 272 K HA 0.594 4.914 4.320 0.000 0.000 0.289 272 K C -0.770 175.869 176.600 0.066 0.000 1.064 272 K CA 0.176 56.503 56.287 0.066 0.000 0.947 272 K CB 1.090 33.623 32.500 0.056 0.000 1.007 272 K HN 0.459 nan 8.250 nan 0.000 0.478 273 V N 1.758 121.723 119.914 0.086 0.000 2.888 273 V HA 0.805 4.925 4.120 0.000 0.000 0.309 273 V C -1.230 174.799 176.094 -0.109 0.000 1.114 273 V CA -0.905 61.420 62.300 0.041 0.000 0.940 273 V CB 2.125 34.011 31.823 0.106 0.000 1.021 273 V HN 0.782 nan 8.190 nan 0.000 0.426 274 A N 3.186 125.814 122.820 -0.321 0.000 2.455 274 A HA 0.992 5.312 4.320 0.000 0.000 0.300 274 A C -0.721 176.505 177.584 -0.597 0.000 1.040 274 A CA -0.096 51.469 52.037 -0.786 0.000 0.697 274 A CB 1.873 20.625 19.000 -0.413 0.000 1.265 274 A HN 1.609 nan 8.150 nan 0.000 0.407 275 A N 1.273 123.614 122.820 -0.799 0.000 2.371 275 A HA 0.861 5.181 4.320 0.000 0.000 0.311 275 A C -0.305 177.231 177.584 -0.081 0.000 1.068 275 A CA -0.121 51.766 52.037 -0.251 0.000 0.744 275 A CB 1.237 20.200 19.000 -0.063 0.000 1.239 275 A HN 2.280 nan 8.150 nan 0.000 0.435 276 V N -0.694 119.230 119.914 0.017 0.000 3.078 276 V HA 0.640 4.760 4.120 0.000 0.000 0.311 276 V C -0.532 175.628 176.094 0.109 0.000 1.138 276 V CA -1.276 61.080 62.300 0.093 0.000 1.007 276 V CB 1.572 33.476 31.823 0.136 0.000 1.045 276 V HN 0.839 nan 8.190 nan 0.000 0.432 277 K N 1.781 122.254 120.400 0.121 0.000 2.237 277 K HA 0.680 5.000 4.320 0.000 0.000 0.270 277 K C 0.366 177.016 176.600 0.083 0.000 1.015 277 K CA 0.221 56.563 56.287 0.093 0.000 0.949 277 K CB 1.397 33.948 32.500 0.085 0.000 0.976 277 K HN 1.113 nan 8.250 nan 0.000 0.472 278 A N 4.481 127.299 122.820 -0.003 0.000 2.462 278 A HA 0.191 4.511 4.320 0.000 0.000 0.243 278 A C -2.026 175.480 177.584 -0.129 0.000 1.076 278 A CA -1.083 50.874 52.037 -0.133 0.000 0.773 278 A CB -0.423 18.510 19.000 -0.111 0.000 1.010 278 A HN 0.457 nan 8.150 nan 0.000 0.493 279 P HA 0.335 nan 4.420 nan 0.000 0.269 279 P C 0.855 178.127 177.300 -0.047 0.000 1.215 279 P CA 1.394 64.409 63.100 -0.142 0.000 0.780 279 P CB 0.444 31.964 31.700 -0.300 0.000 0.898 280 G N 1.658 110.491 108.800 0.055 0.000 2.601 280 G HA2 -0.085 3.875 3.960 0.000 0.000 0.252 280 G HA3 -0.085 3.875 3.960 0.000 0.000 0.252 280 G C -0.718 174.315 174.900 0.222 0.000 1.294 280 G CA 0.272 45.438 45.100 0.109 0.000 0.912 280 G HN 0.786 nan 8.290 nan 0.000 0.574 281 F N -2.843 117.108 119.950 0.002 0.000 2.713 281 F HA 0.730 5.257 4.527 0.000 0.000 0.311 281 F C 0.940 176.743 175.800 0.006 0.000 1.141 281 F CA 0.366 58.368 58.000 0.003 0.000 0.939 281 F CB 0.895 39.902 39.000 0.012 0.000 1.325 281 F HN 2.476 nan 8.300 nan 0.000 0.453 282 G N 1.697 110.550 108.800 0.089 0.000 2.574 282 G HA2 -0.331 3.629 3.960 0.000 0.000 0.286 282 G HA3 -0.331 3.629 3.960 0.000 0.000 0.286 282 G C 0.255 175.104 174.900 -0.086 0.000 1.212 282 G CA 0.821 45.915 45.100 -0.010 0.000 0.979 282 G HN 0.890 nan 8.290 nan 0.000 0.557 283 D N 1.100 121.431 120.400 -0.115 0.000 2.097 283 D HA -0.060 4.580 4.640 0.000 0.000 0.195 283 D C 2.534 178.767 176.300 -0.111 0.000 0.989 283 D CA 1.714 55.660 54.000 -0.089 0.000 0.827 283 D CB -0.327 40.430 40.800 -0.072 0.000 0.966 283 D HN 0.726 nan 8.370 nan 0.000 0.456 284 R N 0.571 120.970 120.500 -0.169 0.000 2.339 284 R HA 0.104 4.444 4.340 0.000 0.000 0.199 284 R C 1.976 178.190 176.300 -0.143 0.000 1.018 284 R CA 0.441 56.446 56.100 -0.157 0.000 1.036 284 R CB -0.129 30.061 30.300 -0.185 0.000 0.899 284 R HN 0.086 nan 8.270 nan 0.000 0.473 285 R N 1.911 122.332 120.500 -0.131 0.000 2.090 285 R HA 0.024 4.364 4.340 0.000 0.000 0.219 285 R C 1.356 177.605 176.300 -0.084 0.000 1.100 285 R CA 0.888 56.931 56.100 -0.095 0.000 0.991 285 R CB 0.120 30.392 30.300 -0.046 0.000 0.893 285 R HN 0.163 nan 8.270 nan 0.000 0.443 286 K N 0.323 120.682 120.400 -0.068 0.000 2.063 286 K HA -0.095 4.225 4.320 0.000 0.000 0.208 286 K C 2.086 178.650 176.600 -0.061 0.000 1.048 286 K CA 1.555 57.810 56.287 -0.054 0.000 0.928 286 K CB -0.131 32.344 32.500 -0.041 0.000 0.713 286 K HN 0.182 nan 8.250 nan 0.000 0.442 287 A N 1.303 124.081 122.820 -0.069 0.000 1.873 287 A HA -0.137 4.183 4.320 0.000 0.000 0.215 287 A C 2.140 179.679 177.584 -0.076 0.000 1.186 287 A CA 1.452 53.449 52.037 -0.066 0.000 0.616 287 A CB -0.428 18.531 19.000 -0.068 0.000 0.823 287 A HN 0.171 nan 8.150 nan 0.000 0.442 288 M N -0.785 118.757 119.600 -0.098 0.000 2.229 288 M HA -0.031 4.449 4.480 0.000 0.000 0.264 288 M C 2.115 178.330 176.300 -0.142 0.000 1.063 288 M CA 0.944 56.172 55.300 -0.121 0.000 1.114 288 M CB -0.386 32.124 32.600 -0.150 0.000 1.387 288 M HN 0.396 nan 8.290 nan 0.000 0.420 289 L N -0.063 121.083 121.223 -0.129 0.000 2.012 289 L HA -0.266 4.074 4.340 0.000 0.000 0.210 289 L C 2.678 179.502 176.870 -0.077 0.000 1.073 289 L CA 1.425 56.197 54.840 -0.115 0.000 0.748 289 L CB -0.431 41.577 42.059 -0.084 0.000 0.891 289 L HN 0.293 nan 8.230 nan 0.000 0.431 290 Q N 0.124 119.887 119.800 -0.060 0.000 2.124 290 Q HA -0.217 4.123 4.340 0.000 0.000 0.202 290 Q C 1.615 177.592 176.000 -0.039 0.000 0.977 290 Q CA 1.778 57.556 55.803 -0.041 0.000 0.850 290 Q CB -0.181 28.536 28.738 -0.036 0.000 0.901 290 Q HN 0.400 nan 8.270 nan 0.000 0.429 291 D N -0.314 120.057 120.400 -0.049 0.000 2.104 291 D HA -0.158 4.482 4.640 0.000 0.000 0.194 291 D C 1.746 178.028 176.300 -0.029 0.000 0.994 291 D CA 1.456 55.433 54.000 -0.039 0.000 0.830 291 D CB -0.189 40.582 40.800 -0.048 0.000 0.959 291 D HN 0.379 nan 8.370 nan 0.000 0.452 292 I N 0.692 121.237 120.570 -0.043 0.000 2.315 292 I HA -0.205 3.965 4.170 0.000 0.000 0.248 292 I C 2.373 178.486 176.117 -0.007 0.000 1.117 292 I CA 0.837 62.126 61.300 -0.018 0.000 1.404 292 I CB -0.206 37.768 38.000 -0.043 0.000 1.071 292 I HN -0.067 nan 8.210 nan 0.000 0.419 293 A N 0.671 123.481 122.820 -0.016 0.000 1.933 293 A HA -0.173 4.147 4.320 0.000 0.000 0.218 293 A C 2.369 179.952 177.584 -0.002 0.000 1.175 293 A CA 2.335 54.368 52.037 -0.006 0.000 0.628 293 A CB -0.977 18.016 19.000 -0.011 0.000 0.814 293 A HN 0.419 nan 8.150 nan 0.000 0.444 294 T N 0.005 114.555 114.554 -0.007 0.000 2.942 294 T HA 0.019 4.369 4.350 0.000 0.000 0.265 294 T C 1.771 176.470 174.700 -0.003 0.000 1.062 294 T CA 0.834 62.931 62.100 -0.005 0.000 1.139 294 T CB -0.167 68.696 68.868 -0.009 0.000 0.883 294 T HN 0.260 nan 8.240 nan 0.000 0.468 295 L N 2.356 123.579 121.223 -0.000 0.000 2.141 295 L HA -0.032 4.308 4.340 0.000 0.000 0.209 295 L C 2.270 179.141 176.870 0.001 0.000 1.094 295 L CA 2.092 56.934 54.840 0.003 0.000 0.763 295 L CB -1.031 41.035 42.059 0.012 0.000 0.908 295 L HN 0.463 nan 8.230 nan 0.000 0.437 296 T N -4.765 109.790 114.554 0.002 0.000 3.023 296 T HA 0.255 4.605 4.350 0.000 0.000 0.253 296 T C 1.214 175.912 174.700 -0.004 0.000 1.038 296 T CA 0.438 62.536 62.100 -0.003 0.000 0.962 296 T CB 0.273 69.143 68.868 0.005 0.000 1.018 296 T HN 0.464 nan 8.240 nan 0.000 0.521 297 G N 0.596 109.397 108.800 0.002 0.000 2.225 297 G HA2 0.057 4.017 3.960 0.000 0.000 0.264 297 G HA3 0.057 4.017 3.960 0.000 0.000 0.264 297 G C 0.287 175.198 174.900 0.018 0.000 1.060 297 G CA -0.229 44.874 45.100 0.006 0.000 0.833 297 G HN 1.039 nan 8.290 nan 0.000 0.498 298 G N -1.356 107.456 108.800 0.019 0.000 2.509 298 G HA2 0.777 4.737 3.960 0.000 0.000 0.328 298 G HA3 0.777 4.737 3.960 0.000 0.000 0.328 298 G C -0.242 174.669 174.900 0.018 0.000 1.194 298 G CA 0.162 45.279 45.100 0.029 0.000 0.967 298 G HN 0.612 nan 8.290 nan 0.000 0.488 299 T N 0.129 114.696 114.554 0.021 0.000 2.824 299 T HA 0.403 4.753 4.350 0.000 0.000 0.280 299 T C 0.008 174.713 174.700 0.008 0.000 0.995 299 T CA -0.350 61.757 62.100 0.012 0.000 1.009 299 T CB 1.853 70.729 68.868 0.012 0.000 0.955 299 T HN 0.284 nan 8.240 nan 0.000 0.452 300 V N 4.195 124.110 119.914 0.000 0.000 2.405 300 V HA 0.169 4.289 4.120 0.000 0.000 0.264 300 V C 0.214 176.308 176.094 -0.001 0.000 1.048 300 V CA -0.403 61.895 62.300 -0.004 0.000 0.966 300 V CB -0.106 31.710 31.823 -0.012 0.000 1.015 300 V HN 0.727 nan 8.190 nan 0.000 0.477 301 I N 5.970 126.541 120.570 0.002 0.000 2.293 301 I HA 0.135 4.305 4.170 0.000 0.000 0.299 301 I C 0.743 176.860 176.117 0.001 0.000 1.153 301 I CA 0.860 62.161 61.300 0.003 0.000 1.302 301 I CB 0.357 38.360 38.000 0.005 0.000 1.460 301 I HN 0.694 nan 8.210 nan 0.000 0.552 302 S N 3.444 119.143 115.700 -0.000 0.000 2.475 302 S HA 0.373 4.843 4.470 0.000 0.000 0.298 302 S C 0.734 175.335 174.600 0.001 0.000 1.119 302 S CA -0.847 57.352 58.200 -0.001 0.000 1.085 302 S CB 1.370 64.568 63.200 -0.004 0.000 1.028 302 S HN 0.684 nan 8.310 nan 0.000 0.489 303 E N 1.189 121.391 120.200 0.003 0.000 2.427 303 E HA -0.067 4.284 4.350 0.000 0.000 0.196 303 E C 1.322 177.923 176.600 0.003 0.000 1.028 303 E CA 0.360 56.762 56.400 0.003 0.000 0.864 303 E CB -0.089 29.614 29.700 0.005 0.000 0.813 303 E HN 0.831 nan 8.360 nan 0.000 0.514 304 E N 1.238 121.439 120.200 0.002 0.000 2.085 304 E HA -0.178 4.172 4.350 0.000 0.000 0.194 304 E C 1.923 178.523 176.600 -0.000 0.000 0.994 304 E CA 1.320 57.720 56.400 0.001 0.000 0.801 304 E CB 0.000 29.700 29.700 -0.001 0.000 0.743 304 E HN 0.398 nan 8.360 nan 0.000 0.453 305 I N -1.426 119.143 120.570 -0.001 0.000 2.500 305 I HA -0.022 4.148 4.170 0.000 0.000 0.252 305 I C 1.771 177.888 176.117 0.000 0.000 1.142 305 I CA 0.991 62.290 61.300 -0.001 0.000 1.451 305 I CB 0.317 38.316 38.000 -0.002 0.000 1.093 305 I HN 0.428 nan 8.210 nan 0.000 0.430 306 G N 0.419 109.219 108.800 0.001 0.000 2.551 306 G HA2 -0.150 3.811 3.960 0.000 0.000 0.186 306 G HA3 -0.150 3.811 3.960 0.000 0.000 0.186 306 G C 0.391 175.292 174.900 0.002 0.000 1.002 306 G CA -0.425 44.676 45.100 0.001 0.000 0.723 306 G HN 0.180 nan 8.290 nan 0.000 0.481 307 M N 1.911 121.512 119.600 0.001 0.000 2.238 307 M HA 0.500 4.980 4.480 0.000 0.000 0.350 307 M C 0.115 176.417 176.300 0.002 0.000 1.321 307 M CA 0.613 55.914 55.300 0.002 0.000 1.097 307 M CB 0.478 33.079 32.600 0.002 0.000 1.713 307 M HN 0.096 nan 8.290 nan 0.000 0.455 308 E N 2.231 122.432 120.200 0.002 0.000 2.242 308 E HA 0.247 4.597 4.350 0.000 0.000 0.275 308 E C 0.449 177.051 176.600 0.002 0.000 1.002 308 E CA -0.531 55.870 56.400 0.003 0.000 0.841 308 E CB 1.869 31.571 29.700 0.003 0.000 1.109 308 E HN 0.731 nan 8.360 nan 0.000 0.394 309 L N 1.925 123.151 121.223 0.004 0.000 2.261 309 L HA -0.238 4.102 4.340 0.000 0.000 0.216 309 L C 1.821 178.690 176.870 -0.000 0.000 1.114 309 L CA 1.196 56.038 54.840 0.003 0.000 0.777 309 L CB -0.228 41.835 42.059 0.006 0.000 0.910 309 L HN 0.571 nan 8.230 nan 0.000 0.440 310 E N 0.240 120.440 120.200 -0.000 0.000 2.118 310 E HA -0.216 4.134 4.350 0.000 0.000 0.195 310 E C 1.574 178.170 176.600 -0.005 0.000 0.992 310 E CA 1.205 57.603 56.400 -0.003 0.000 0.804 310 E CB 0.002 29.701 29.700 -0.002 0.000 0.741 310 E HN 0.361 nan 8.360 nan 0.000 0.458 311 K N -0.074 120.323 120.400 -0.004 0.000 2.410 311 K HA 0.313 4.633 4.320 0.000 0.000 0.200 311 K C -0.275 176.322 176.600 -0.005 0.000 1.023 311 K CA -0.141 56.143 56.287 -0.005 0.000 1.149 311 K CB 1.025 33.524 32.500 -0.003 0.000 0.859 311 K HN -0.003 nan 8.250 nan 0.000 0.514 312 A N 1.530 124.346 122.820 -0.006 0.000 2.331 312 A HA 0.341 4.661 4.320 0.000 0.000 0.283 312 A C 0.466 178.042 177.584 -0.014 0.000 1.142 312 A CA -0.427 51.606 52.037 -0.006 0.000 0.812 312 A CB 0.324 19.323 19.000 -0.002 0.000 1.074 312 A HN 0.251 nan 8.150 nan 0.000 0.497 313 T N -0.011 114.536 114.554 -0.012 0.000 2.870 313 T HA 0.531 4.881 4.350 0.000 0.000 0.277 313 T C 1.151 175.834 174.700 -0.028 0.000 1.000 313 T CA -0.600 61.486 62.100 -0.023 0.000 0.982 313 T CB 0.310 69.169 68.868 -0.014 0.000 1.249 313 T HN 0.262 nan 8.240 nan 0.000 0.589 314 L N 1.020 122.216 121.223 -0.046 0.000 2.017 314 L HA -0.043 4.297 4.340 0.000 0.000 0.208 314 L C 2.763 179.664 176.870 0.051 0.000 1.073 314 L CA 1.635 56.443 54.840 -0.054 0.000 0.745 314 L CB -0.528 41.482 42.059 -0.083 0.000 0.894 314 L HN 0.843 nan 8.230 nan 0.000 0.432 315 E N -0.844 119.385 120.200 0.048 0.000 2.485 315 E HA -0.157 4.193 4.350 0.000 0.000 0.194 315 E C 0.394 177.024 176.600 0.051 0.000 1.098 315 E CA 0.593 57.031 56.400 0.063 0.000 0.878 315 E CB -0.178 29.549 29.700 0.045 0.000 0.939 315 E HN 0.522 nan 8.360 nan 0.000 0.503 316 D N 0.181 120.608 120.400 0.044 0.000 2.366 316 D HA 0.088 4.729 4.640 0.000 0.000 0.205 316 D C 0.285 176.617 176.300 0.054 0.000 1.022 316 D CA -0.021 54.001 54.000 0.037 0.000 0.868 316 D CB 0.470 41.282 40.800 0.020 0.000 0.953 316 D HN 0.147 nan 8.370 nan 0.000 0.514 317 L N 0.459 121.735 121.223 0.088 0.000 2.456 317 L HA 0.392 4.732 4.340 0.000 0.000 0.257 317 L C 1.343 178.291 176.870 0.131 0.000 1.162 317 L CA -0.173 54.744 54.840 0.129 0.000 0.808 317 L CB 0.832 43.020 42.059 0.215 0.000 1.136 317 L HN -0.177 nan 8.230 nan 0.000 0.466 318 G N -0.053 108.811 108.800 0.106 0.000 2.511 318 G HA2 0.636 4.596 3.960 0.000 0.000 0.316 318 G HA3 0.636 4.596 3.960 0.000 0.000 0.316 318 G C -1.100 173.805 174.900 0.009 0.000 1.210 318 G CA -0.321 44.811 45.100 0.053 0.000 0.969 318 G HN 0.515 nan 8.290 nan 0.000 0.492 319 Q N -1.455 118.310 119.800 -0.058 0.000 2.379 319 Q HA 0.642 4.982 4.340 0.000 0.000 0.278 319 Q C -0.802 175.132 176.000 -0.110 0.000 1.068 319 Q CA -0.723 54.982 55.803 -0.163 0.000 0.816 319 Q CB 2.666 31.262 28.738 -0.236 0.000 1.387 319 Q HN 0.869 nan 8.270 nan 0.000 0.413 320 A N 0.972 123.716 122.820 -0.128 0.000 2.594 320 A HA 0.456 4.776 4.320 0.000 0.000 0.291 320 A C -0.326 177.203 177.584 -0.092 0.000 1.105 320 A CA -0.579 51.409 52.037 -0.081 0.000 0.694 320 A CB 1.641 20.614 19.000 -0.045 0.000 1.291 320 A HN 0.602 nan 8.150 nan 0.000 0.410 321 K N -0.219 120.143 120.400 -0.063 0.000 2.228 321 K HA 0.080 4.400 4.320 0.000 0.000 0.202 321 K C 0.446 177.021 176.600 -0.043 0.000 1.051 321 K CA 1.094 57.348 56.287 -0.055 0.000 0.960 321 K CB 0.058 32.535 32.500 -0.040 0.000 0.743 321 K HN 0.640 nan 8.250 nan 0.000 0.458 322 R N -0.797 119.682 120.500 -0.035 0.000 2.663 322 R HA 0.321 4.661 4.340 0.000 0.000 0.267 322 R C -2.151 174.135 176.300 -0.022 0.000 1.038 322 R CA -0.545 55.541 56.100 -0.025 0.000 0.886 322 R CB 2.127 32.417 30.300 -0.018 0.000 1.249 322 R HN -0.083 nan 8.270 nan 0.000 0.463 323 V N 3.929 123.832 119.914 -0.019 0.000 2.733 323 V HA 0.638 4.758 4.120 0.000 0.000 0.306 323 V C -1.660 174.421 176.094 -0.021 0.000 1.084 323 V CA -0.447 61.840 62.300 -0.023 0.000 0.905 323 V CB 2.234 34.047 31.823 -0.018 0.000 1.010 323 V HN 0.513 nan 8.190 nan 0.000 0.424 324 V N 7.920 127.814 119.914 -0.034 0.000 2.483 324 V HA 0.582 4.702 4.120 0.000 0.000 0.297 324 V C -0.387 175.684 176.094 -0.037 0.000 1.027 324 V CA -0.388 61.900 62.300 -0.020 0.000 0.855 324 V CB 1.668 33.483 31.823 -0.012 0.000 0.995 324 V HN 0.737 nan 8.190 nan 0.000 0.424 325 I N 4.732 125.307 120.570 0.007 0.000 2.406 325 I HA 0.510 4.680 4.170 0.000 0.000 0.290 325 I C -0.034 176.145 176.117 0.104 0.000 0.999 325 I CA -0.366 60.948 61.300 0.023 0.000 1.124 325 I CB 1.759 39.801 38.000 0.070 0.000 1.289 325 I HN 0.504 nan 8.210 nan 0.000 0.441 326 N N 4.126 122.826 118.700 -0.001 0.000 2.643 326 N HA 0.358 5.098 4.740 0.000 0.000 0.305 326 N C 0.987 176.310 175.510 -0.313 0.000 1.283 326 N CA -0.667 52.374 53.050 -0.014 0.000 0.946 326 N CB 0.724 39.177 38.487 -0.057 0.000 1.149 326 N HN 0.348 nan 8.380 nan 0.000 0.600 327 K N 0.177 120.377 120.400 -0.333 0.000 2.074 327 K HA -0.159 4.161 4.320 0.000 0.000 0.209 327 K C -0.370 175.955 176.600 -0.458 0.000 1.048 327 K CA 1.871 57.812 56.287 -0.576 0.000 0.926 327 K CB -0.249 32.117 32.500 -0.223 0.000 0.713 327 K HN 0.668 nan 8.250 nan 0.000 0.444 328 D N -1.992 118.251 120.400 -0.262 0.000 2.712 328 D HA 0.093 4.733 4.640 0.000 0.000 0.300 328 D C -0.613 175.599 176.300 -0.146 0.000 1.521 328 D CA -0.330 53.566 54.000 -0.173 0.000 0.790 328 D CB 0.673 41.407 40.800 -0.110 0.000 1.155 328 D HN -0.263 nan 8.370 nan 0.000 0.456 329 T N -0.079 114.366 114.554 -0.182 0.000 2.916 329 T HA 0.611 4.961 4.350 0.000 0.000 0.298 329 T C -1.037 173.491 174.700 -0.287 0.000 1.031 329 T CA -0.439 61.532 62.100 -0.214 0.000 0.993 329 T CB 2.076 70.849 68.868 -0.159 0.000 1.045 329 T HN -0.092 nan 8.240 nan 0.000 0.454 330 T N 2.180 116.418 114.554 -0.526 0.000 2.840 330 T HA 0.588 4.938 4.350 0.000 0.000 0.287 330 T C -0.382 173.973 174.700 -0.575 0.000 0.991 330 T CA -0.602 61.142 62.100 -0.593 0.000 0.964 330 T CB 1.434 69.772 68.868 -0.885 0.000 0.954 330 T HN 0.612 nan 8.240 nan 0.000 0.438 331 T N 3.544 117.929 114.554 -0.282 0.000 2.815 331 T HA 0.630 4.980 4.350 0.000 0.000 0.289 331 T C -0.439 174.209 174.700 -0.087 0.000 1.000 331 T CA -0.703 61.294 62.100 -0.171 0.000 0.958 331 T CB -0.030 68.773 68.868 -0.108 0.000 0.944 331 T HN 0.478 nan 8.240 nan 0.000 0.442 332 I N 6.032 126.580 120.570 -0.037 0.000 2.312 332 I HA 0.415 4.585 4.170 0.000 0.000 0.291 332 I C -0.195 175.920 176.117 -0.002 0.000 1.031 332 I CA -0.622 60.679 61.300 0.002 0.000 1.293 332 I CB 1.012 39.044 38.000 0.053 0.000 1.403 332 I HN 0.577 nan 8.210 nan 0.000 0.484 333 I N 5.857 126.420 120.570 -0.012 0.000 2.404 333 I HA 0.252 4.422 4.170 0.000 0.000 0.293 333 I C -0.118 175.989 176.117 -0.016 0.000 0.992 333 I CA -0.451 60.841 61.300 -0.013 0.000 1.149 333 I CB 1.327 39.318 38.000 -0.015 0.000 1.315 333 I HN 0.537 nan 8.210 nan 0.000 0.446 334 D N 4.800 125.191 120.400 -0.014 0.000 2.812 334 D HA -0.133 4.508 4.640 0.000 0.000 0.237 334 D C 0.239 176.524 176.300 -0.025 0.000 1.162 334 D CA 0.849 54.838 54.000 -0.018 0.000 0.740 334 D CB -0.385 40.402 40.800 -0.021 0.000 1.000 334 D HN 0.826 nan 8.370 nan 0.000 0.416 335 G N 0.359 109.148 108.800 -0.018 0.000 2.354 335 G HA2 0.374 4.334 3.960 0.000 0.000 0.266 335 G HA3 0.374 4.334 3.960 0.000 0.000 0.266 335 G C 1.163 176.048 174.900 -0.025 0.000 1.242 335 G CA -0.406 44.681 45.100 -0.021 0.000 0.923 335 G HN 0.380 nan 8.290 nan 0.000 0.476 336 V N 3.118 123.009 119.914 -0.038 0.000 3.387 336 V HA 0.187 4.307 4.120 0.000 0.000 0.353 336 V C 1.645 177.725 176.094 -0.023 0.000 1.193 336 V CA -0.103 62.175 62.300 -0.035 0.000 1.379 336 V CB -1.155 30.637 31.823 -0.052 0.000 1.157 336 V HN 0.688 nan 8.190 nan 0.000 0.431 337 G N 0.192 108.982 108.800 -0.016 0.000 2.527 337 G HA2 0.271 4.231 3.960 0.000 0.000 0.248 337 G HA3 0.271 4.231 3.960 0.000 0.000 0.248 337 G C 0.023 174.918 174.900 -0.008 0.000 1.231 337 G CA -0.468 44.626 45.100 -0.009 0.000 0.838 337 G HN 0.368 nan 8.290 nan 0.000 0.570 338 E N 1.366 121.563 120.200 -0.005 0.000 2.493 338 E HA -0.041 4.309 4.350 0.000 0.000 0.255 338 E C 0.977 177.575 176.600 -0.005 0.000 0.999 338 E CA 0.054 56.452 56.400 -0.004 0.000 0.934 338 E CB 0.834 30.532 29.700 -0.002 0.000 0.940 338 E HN 0.520 nan 8.360 nan 0.000 0.473 339 E N 1.958 122.155 120.200 -0.005 0.000 2.401 339 E HA -0.150 4.200 4.350 0.000 0.000 0.199 339 E C 1.334 177.931 176.600 -0.005 0.000 1.023 339 E CA 0.791 57.188 56.400 -0.005 0.000 0.859 339 E CB 0.109 29.806 29.700 -0.005 0.000 0.780 339 E HN 0.515 nan 8.360 nan 0.000 0.523 340 A N 0.786 123.604 122.820 -0.004 0.000 2.014 340 A HA 0.316 4.636 4.320 0.000 0.000 0.210 340 A C 2.268 179.849 177.584 -0.004 0.000 1.188 340 A CA 0.766 52.800 52.037 -0.004 0.000 0.731 340 A CB 0.003 19.001 19.000 -0.003 0.000 0.858 340 A HN 0.209 nan 8.150 nan 0.000 0.464 341 A N -0.008 122.809 122.820 -0.004 0.000 2.121 341 A HA 0.084 4.404 4.320 0.000 0.000 0.218 341 A C 1.888 179.468 177.584 -0.006 0.000 1.154 341 A CA 1.100 53.135 52.037 -0.005 0.000 0.679 341 A CB -0.559 18.439 19.000 -0.004 0.000 0.795 341 A HN 0.486 nan 8.150 nan 0.000 0.458 342 I N -0.701 119.866 120.570 -0.006 0.000 2.162 342 I HA -0.254 3.916 4.170 0.000 0.000 0.238 342 I C 2.539 178.651 176.117 -0.007 0.000 1.076 342 I CA 1.443 62.739 61.300 -0.006 0.000 1.353 342 I CB -0.447 37.550 38.000 -0.005 0.000 1.063 342 I HN 0.264 nan 8.210 nan 0.000 0.408 343 Q N 1.079 120.875 119.800 -0.007 0.000 2.226 343 Q HA -0.075 4.265 4.340 0.000 0.000 0.204 343 Q C 2.224 178.219 176.000 -0.008 0.000 0.975 343 Q CA 1.468 57.266 55.803 -0.007 0.000 0.866 343 Q CB -0.769 27.965 28.738 -0.006 0.000 0.915 343 Q HN 0.584 nan 8.270 nan 0.000 0.440 344 G N 0.951 109.746 108.800 -0.007 0.000 2.421 344 G HA2 -0.329 3.631 3.960 0.000 0.000 0.216 344 G HA3 -0.329 3.631 3.960 0.000 0.000 0.216 344 G C 1.586 176.480 174.900 -0.010 0.000 1.171 344 G CA 0.827 45.923 45.100 -0.008 0.000 0.775 344 G HN 0.226 nan 8.290 nan 0.000 0.543 345 R N 0.190 120.684 120.500 -0.010 0.000 2.092 345 R HA 0.042 4.382 4.340 0.000 0.000 0.231 345 R C 2.528 178.820 176.300 -0.015 0.000 1.119 345 R CA 1.265 57.357 56.100 -0.013 0.000 0.970 345 R CB -0.812 29.480 30.300 -0.013 0.000 0.864 345 R HN 0.214 nan 8.270 nan 0.000 0.440 346 V N 0.746 120.653 119.914 -0.013 0.000 2.407 346 V HA -0.187 3.933 4.120 0.000 0.000 0.248 346 V C 2.310 178.395 176.094 -0.014 0.000 1.055 346 V CA 1.873 64.165 62.300 -0.014 0.000 1.049 346 V CB -0.844 30.972 31.823 -0.012 0.000 0.662 346 V HN 0.534 nan 8.190 nan 0.000 0.455 347 A N -0.985 121.827 122.820 -0.012 0.000 1.930 347 A HA -0.260 4.060 4.320 0.000 0.000 0.217 347 A C 2.179 179.755 177.584 -0.013 0.000 1.175 347 A CA 1.707 53.737 52.037 -0.011 0.000 0.627 347 A CB -0.424 18.570 19.000 -0.009 0.000 0.815 347 A HN 0.611 nan 8.150 nan 0.000 0.443 348 Q N -0.512 119.280 119.800 -0.014 0.000 2.096 348 Q HA -0.144 4.196 4.340 0.000 0.000 0.204 348 Q C 2.021 178.010 176.000 -0.018 0.000 0.982 348 Q CA 1.677 57.471 55.803 -0.015 0.000 0.850 348 Q CB -0.335 28.394 28.738 -0.016 0.000 0.901 348 Q HN 0.767 nan 8.270 nan 0.000 0.422 349 I N 0.186 120.744 120.570 -0.021 0.000 2.252 349 I HA -0.251 3.919 4.170 0.000 0.000 0.245 349 I C 2.324 178.428 176.117 -0.023 0.000 1.102 349 I CA 0.998 62.283 61.300 -0.025 0.000 1.385 349 I CB -0.264 37.719 38.000 -0.029 0.000 1.064 349 I HN 0.126 nan 8.210 nan 0.000 0.414 350 R N 0.434 120.923 120.500 -0.019 0.000 2.120 350 R HA -0.145 4.195 4.340 0.000 0.000 0.234 350 R C 2.263 178.554 176.300 -0.015 0.000 1.123 350 R CA 0.935 57.024 56.100 -0.017 0.000 0.975 350 R CB -0.255 30.037 30.300 -0.014 0.000 0.866 350 R HN 0.460 nan 8.270 nan 0.000 0.446 351 Q N 0.691 120.483 119.800 -0.014 0.000 2.119 351 Q HA -0.156 4.185 4.340 0.000 0.000 0.201 351 Q C 1.925 177.918 176.000 -0.013 0.000 0.972 351 Q CA 1.434 57.230 55.803 -0.012 0.000 0.847 351 Q CB 0.025 28.757 28.738 -0.011 0.000 0.903 351 Q HN 0.513 nan 8.270 nan 0.000 0.433 352 Q N -0.149 119.641 119.800 -0.016 0.000 2.297 352 Q HA 0.009 4.349 4.340 0.000 0.000 0.204 352 Q C 2.065 178.054 176.000 -0.018 0.000 0.962 352 Q CA 0.436 56.229 55.803 -0.018 0.000 0.879 352 Q CB 0.100 28.825 28.738 -0.022 0.000 0.947 352 Q HN 0.367 nan 8.270 nan 0.000 0.462 353 I N 0.886 121.444 120.570 -0.020 0.000 2.394 353 I HA -0.241 3.929 4.170 0.000 0.000 0.251 353 I C 2.042 178.151 176.117 -0.014 0.000 1.136 353 I CA 0.822 62.110 61.300 -0.021 0.000 1.425 353 I CB -0.147 37.839 38.000 -0.022 0.000 1.079 353 I HN 0.176 nan 8.210 nan 0.000 0.425 354 E N 1.238 121.431 120.200 -0.011 0.000 2.028 354 E HA -0.233 4.117 4.350 0.000 0.000 0.191 354 E C 1.906 178.503 176.600 -0.006 0.000 0.988 354 E CA 1.568 57.964 56.400 -0.008 0.000 0.799 354 E CB -0.374 29.322 29.700 -0.007 0.000 0.755 354 E HN 0.680 nan 8.360 nan 0.000 0.447 355 E N 1.013 121.210 120.200 -0.006 0.000 2.435 355 E HA 0.152 4.502 4.350 0.000 0.000 0.195 355 E C 0.407 177.006 176.600 -0.002 0.000 1.029 355 E CA 0.137 56.534 56.400 -0.004 0.000 0.865 355 E CB 0.049 29.747 29.700 -0.005 0.000 0.833 355 E HN -0.009 nan 8.360 nan 0.000 0.510 356 A N 2.159 124.977 122.820 -0.003 0.000 2.522 356 A HA 0.105 4.426 4.320 0.000 0.000 0.256 356 A C 1.378 178.966 177.584 0.008 0.000 1.086 356 A CA 0.360 52.398 52.037 0.002 0.000 0.763 356 A CB 0.257 19.255 19.000 -0.004 0.000 1.024 356 A HN 0.353 nan 8.150 nan 0.000 0.502 357 T N 0.359 114.922 114.554 0.014 0.000 2.942 357 T HA 0.046 4.396 4.350 0.000 0.000 0.265 357 T C 1.014 175.727 174.700 0.023 0.000 1.062 357 T CA 1.004 63.113 62.100 0.016 0.000 1.139 357 T CB -0.477 68.400 68.868 0.015 0.000 0.883 357 T HN 1.073 nan 8.240 nan 0.000 0.468 358 S N 0.336 116.058 115.700 0.036 0.000 2.704 358 S HA 0.486 4.956 4.470 0.000 0.000 0.305 358 S C 0.158 174.792 174.600 0.056 0.000 1.107 358 S CA -0.742 57.489 58.200 0.052 0.000 0.993 358 S CB 1.852 65.097 63.200 0.075 0.000 1.110 358 S HN -0.031 nan 8.310 nan 0.000 0.534 359 D N 0.158 120.597 120.400 0.066 0.000 2.084 359 D HA -0.062 4.578 4.640 0.000 0.000 0.194 359 D C 1.574 177.919 176.300 0.074 0.000 0.990 359 D CA 1.652 55.688 54.000 0.059 0.000 0.826 359 D CB -0.590 40.246 40.800 0.061 0.000 0.971 359 D HN 0.708 nan 8.370 nan 0.000 0.453 360 Y N 1.771 122.069 120.300 -0.003 0.000 2.081 360 Y HA -0.276 4.274 4.550 0.000 0.000 0.280 360 Y C 1.663 177.557 175.900 -0.012 0.000 1.163 360 Y CA 2.173 60.270 58.100 -0.005 0.000 1.135 360 Y CB -0.342 38.117 38.460 -0.002 0.000 0.970 360 Y HN -0.101 nan 8.280 nan 0.000 0.498 361 D N -0.433 120.019 120.400 0.086 0.000 2.182 361 D HA -0.162 4.478 4.640 0.000 0.000 0.201 361 D C 2.239 178.486 176.300 -0.090 0.000 0.986 361 D CA 1.403 55.392 54.000 -0.018 0.000 0.847 361 D CB -0.295 40.547 40.800 0.069 0.000 0.942 361 D HN 0.351 nan 8.370 nan 0.000 0.467 362 R N 0.688 121.154 120.500 -0.055 0.000 2.062 362 R HA -0.113 4.227 4.340 0.000 0.000 0.231 362 R C 2.075 178.324 176.300 -0.085 0.000 1.136 362 R CA 1.461 57.529 56.100 -0.054 0.000 0.948 362 R CB -0.024 30.262 30.300 -0.024 0.000 0.845 362 R HN 0.330 nan 8.270 nan 0.000 0.430 363 E N -0.066 120.070 120.200 -0.106 0.000 2.208 363 E HA -0.160 4.190 4.350 0.000 0.000 0.193 363 E C 1.577 178.079 176.600 -0.164 0.000 0.988 363 E CA 0.612 56.945 56.400 -0.112 0.000 0.828 363 E CB -0.014 29.634 29.700 -0.086 0.000 0.763 363 E HN 0.064 nan 8.360 nan 0.000 0.478 364 K N 1.095 121.330 120.400 -0.275 0.000 2.148 364 K HA 0.005 4.325 4.320 0.000 0.000 0.204 364 K C 2.204 178.698 176.600 -0.177 0.000 1.050 364 K CA 0.655 56.763 56.287 -0.298 0.000 0.942 364 K CB -0.299 31.895 32.500 -0.508 0.000 0.724 364 K HN 0.264 nan 8.250 nan 0.000 0.446 365 L N 0.711 121.849 121.223 -0.142 0.000 2.093 365 L HA -0.154 4.186 4.340 0.000 0.000 0.208 365 L C 2.494 179.321 176.870 -0.072 0.000 1.085 365 L CA 0.970 55.755 54.840 -0.092 0.000 0.755 365 L CB -0.287 41.729 42.059 -0.072 0.000 0.904 365 L HN 0.131 nan 8.230 nan 0.000 0.435 366 Q N 0.079 119.835 119.800 -0.072 0.000 2.291 366 Q HA -0.205 4.135 4.340 0.000 0.000 0.206 366 Q C 1.966 177.937 176.000 -0.047 0.000 0.976 366 Q CA 1.290 57.061 55.803 -0.052 0.000 0.875 366 Q CB 0.044 28.753 28.738 -0.047 0.000 0.927 366 Q HN 0.573 nan 8.270 nan 0.000 0.450 367 E N -0.292 119.872 120.200 -0.059 0.000 2.072 367 E HA -0.113 4.237 4.350 0.000 0.000 0.190 367 E C 2.061 178.641 176.600 -0.034 0.000 0.982 367 E CA 0.417 56.790 56.400 -0.044 0.000 0.803 367 E CB 0.071 29.740 29.700 -0.053 0.000 0.755 367 E HN 0.225 nan 8.360 nan 0.000 0.453 368 R N 0.379 120.852 120.500 -0.045 0.000 2.096 368 R HA -0.133 4.207 4.340 0.000 0.000 0.235 368 R C 2.555 178.840 176.300 -0.026 0.000 1.127 368 R CA 1.543 57.621 56.100 -0.037 0.000 0.968 368 R CB -0.303 29.967 30.300 -0.050 0.000 0.861 368 R HN 0.168 nan 8.270 nan 0.000 0.440 369 V N -2.120 117.778 119.914 -0.028 0.000 2.453 369 V HA -0.016 4.104 4.120 0.000 0.000 0.247 369 V C 2.289 178.374 176.094 -0.014 0.000 1.048 369 V CA 1.482 63.770 62.300 -0.020 0.000 1.049 369 V CB -0.940 30.870 31.823 -0.022 0.000 0.672 369 V HN 0.232 nan 8.190 nan 0.000 0.457 370 A N 0.820 123.631 122.820 -0.015 0.000 1.883 370 A HA -0.223 4.097 4.320 0.000 0.000 0.217 370 A C 2.350 179.932 177.584 -0.003 0.000 1.186 370 A CA 2.376 54.407 52.037 -0.010 0.000 0.624 370 A CB -0.611 18.382 19.000 -0.012 0.000 0.822 370 A HN 0.583 nan 8.150 nan 0.000 0.444 371 K N -1.209 119.192 120.400 0.001 0.000 2.032 371 K HA -0.107 4.213 4.320 0.000 0.000 0.209 371 K C 1.901 178.508 176.600 0.012 0.000 1.048 371 K CA 1.494 57.789 56.287 0.014 0.000 0.927 371 K CB -0.298 32.217 32.500 0.026 0.000 0.712 371 K HN 0.347 nan 8.250 nan 0.000 0.441 372 L N 0.076 121.301 121.223 0.004 0.000 2.095 372 L HA -0.015 4.325 4.340 0.000 0.000 0.204 372 L C 2.004 178.874 176.870 -0.000 0.000 1.080 372 L CA 1.452 56.294 54.840 0.002 0.000 0.759 372 L CB -0.295 41.761 42.059 -0.005 0.000 0.914 372 L HN 0.108 nan 8.230 nan 0.000 0.439 373 A N -1.512 121.306 122.820 -0.003 0.000 2.132 373 A HA 0.212 4.532 4.320 0.000 0.000 0.213 373 A C 2.182 179.765 177.584 -0.003 0.000 1.154 373 A CA 0.762 52.797 52.037 -0.004 0.000 0.753 373 A CB -0.845 18.151 19.000 -0.007 0.000 0.826 373 A HN 0.427 nan 8.150 nan 0.000 0.469 374 G N -0.501 108.298 108.800 -0.001 0.000 2.408 374 G HA2 0.365 4.325 3.960 0.000 0.000 0.215 374 G HA3 0.365 4.325 3.960 0.000 0.000 0.215 374 G C 1.161 176.061 174.900 -0.000 0.000 1.156 374 G CA 0.685 45.785 45.100 -0.001 0.000 0.793 374 G HN 1.588 nan 8.290 nan 0.000 0.535 375 G N -1.537 107.265 108.800 0.002 0.000 2.645 375 G HA2 -0.027 3.933 3.960 0.000 0.000 0.239 375 G HA3 -0.027 3.933 3.960 0.000 0.000 0.239 375 G C -0.631 174.270 174.900 0.001 0.000 1.331 375 G CA -0.176 44.925 45.100 0.002 0.000 0.890 375 G HN 1.048 nan 8.290 nan 0.000 0.572 376 V N 0.477 120.390 119.914 -0.001 0.000 2.623 376 V HA 0.714 4.834 4.120 0.000 0.000 0.304 376 V C 0.757 176.850 176.094 -0.003 0.000 1.054 376 V CA -0.034 62.264 62.300 -0.003 0.000 0.882 376 V CB 1.345 33.166 31.823 -0.004 0.000 1.002 376 V HN 2.085 nan 8.190 nan 0.000 0.424 377 A N 4.589 127.408 122.820 -0.002 0.000 2.401 377 A HA 0.732 5.052 4.320 0.000 0.000 0.259 377 A C -0.482 177.102 177.584 -0.001 0.000 1.103 377 A CA -0.234 51.802 52.037 -0.001 0.000 0.789 377 A CB 0.722 19.722 19.000 0.000 0.000 1.035 377 A HN 0.780 nan 8.150 nan 0.000 0.491 378 V N 4.339 124.252 119.914 -0.001 0.000 2.483 378 V HA 0.320 4.440 4.120 0.000 0.000 0.297 378 V C -0.337 175.757 176.094 -0.000 0.000 1.027 378 V CA -0.141 62.159 62.300 -0.001 0.000 0.855 378 V CB 1.309 33.130 31.823 -0.004 0.000 0.995 378 V HN 0.741 nan 8.190 nan 0.000 0.424 379 I N 4.907 125.478 120.570 0.001 0.000 2.336 379 I HA 0.428 4.598 4.170 0.000 0.000 0.292 379 I C 0.204 176.321 176.117 -0.000 0.000 0.991 379 I CA -0.480 60.821 61.300 0.001 0.000 1.227 379 I CB 1.215 39.218 38.000 0.004 0.000 1.366 379 I HN 0.434 nan 8.210 nan 0.000 0.466 380 K N 6.208 126.607 120.400 -0.001 0.000 2.347 380 K HA 0.379 4.699 4.320 0.000 0.000 0.262 380 K C -0.862 175.737 176.600 -0.002 0.000 1.052 380 K CA -0.621 55.665 56.287 -0.002 0.000 0.946 380 K CB 1.837 34.335 32.500 -0.003 0.000 1.220 380 K HN 0.343 nan 8.250 nan 0.000 0.450 381 V N 2.864 122.776 119.914 -0.003 0.000 2.446 381 V HA 0.093 4.213 4.120 0.000 0.000 0.276 381 V C 0.956 177.048 176.094 -0.003 0.000 1.030 381 V CA -0.237 62.061 62.300 -0.003 0.000 1.033 381 V CB 0.690 32.510 31.823 -0.005 0.000 0.993 381 V HN 0.828 nan 8.190 nan 0.000 0.477 382 G N 3.495 112.293 108.800 -0.003 0.000 2.412 382 G HA2 0.783 4.743 3.960 0.000 0.000 0.318 382 G HA3 0.783 4.743 3.960 0.000 0.000 0.318 382 G C -0.428 174.470 174.900 -0.003 0.000 1.146 382 G CA 0.167 45.266 45.100 -0.003 0.000 0.882 382 G HN 1.194 nan 8.290 nan 0.000 0.501 383 A N -0.479 122.339 122.820 -0.003 0.000 2.586 383 A HA 0.776 5.096 4.320 0.000 0.000 0.290 383 A C 0.890 178.472 177.584 -0.003 0.000 1.086 383 A CA 0.373 52.408 52.037 -0.003 0.000 0.665 383 A CB 0.516 19.513 19.000 -0.004 0.000 1.279 383 A HN 1.784 nan 8.150 nan 0.000 0.423 384 A N -0.267 122.551 122.820 -0.003 0.000 1.898 384 A HA 0.374 4.694 4.320 0.000 0.000 0.216 384 A C 1.227 178.810 177.584 -0.002 0.000 1.181 384 A CA 2.496 54.531 52.037 -0.003 0.000 0.620 384 A CB -0.678 18.320 19.000 -0.003 0.000 0.819 384 A HN 1.993 nan 8.150 nan 0.000 0.442 385 T N -4.670 109.882 114.554 -0.002 0.000 2.883 385 T HA 0.477 4.827 4.350 0.000 0.000 0.296 385 T C 0.404 175.103 174.700 -0.002 0.000 1.117 385 T CA -0.040 62.059 62.100 -0.002 0.000 1.006 385 T CB 1.852 70.719 68.868 -0.002 0.000 1.191 385 T HN 0.222 nan 8.240 nan 0.000 0.508 386 E N -0.031 120.168 120.200 -0.001 0.000 2.130 386 E HA -0.165 4.185 4.350 0.000 0.000 0.196 386 E C 1.921 178.520 176.600 -0.002 0.000 0.998 386 E CA 1.529 57.928 56.400 -0.001 0.000 0.806 386 E CB -0.230 29.470 29.700 0.000 0.000 0.738 386 E HN 0.536 nan 8.360 nan 0.000 0.459 387 V N 1.012 120.925 119.914 -0.002 0.000 2.332 387 V HA -0.265 3.855 4.120 0.000 0.000 0.248 387 V C 1.991 178.083 176.094 -0.004 0.000 1.055 387 V CA 2.278 64.576 62.300 -0.002 0.000 1.038 387 V CB -0.588 31.233 31.823 -0.002 0.000 0.651 387 V HN 0.266 nan 8.190 nan 0.000 0.450 388 E N -0.570 119.627 120.200 -0.004 0.000 2.208 388 E HA -0.135 4.215 4.350 0.000 0.000 0.193 388 E C 2.155 178.751 176.600 -0.006 0.000 0.988 388 E CA 0.890 57.286 56.400 -0.005 0.000 0.828 388 E CB -0.192 29.505 29.700 -0.005 0.000 0.763 388 E HN 0.418 nan 8.360 nan 0.000 0.478 389 M N 0.926 120.523 119.600 -0.005 0.000 2.132 389 M HA -0.126 4.354 4.480 0.000 0.000 0.263 389 M C 1.606 177.903 176.300 -0.006 0.000 1.065 389 M CA 1.517 56.814 55.300 -0.005 0.000 1.122 389 M CB -0.031 32.567 32.600 -0.003 0.000 1.365 389 M HN -0.112 nan 8.290 nan 0.000 0.411 390 K N 0.003 120.400 120.400 -0.005 0.000 2.155 390 K HA -0.112 4.209 4.320 0.000 0.000 0.203 390 K C 1.900 178.495 176.600 -0.009 0.000 1.052 390 K CA 0.790 57.074 56.287 -0.006 0.000 0.948 390 K CB -0.422 32.076 32.500 -0.003 0.000 0.728 390 K HN 0.407 nan 8.250 nan 0.000 0.448 391 E N 1.702 121.897 120.200 -0.009 0.000 2.047 391 E HA -0.176 4.174 4.350 0.000 0.000 0.191 391 E C 1.906 178.498 176.600 -0.014 0.000 0.987 391 E CA 1.270 57.664 56.400 -0.011 0.000 0.799 391 E CB 0.136 29.831 29.700 -0.010 0.000 0.752 391 E HN 0.160 nan 8.360 nan 0.000 0.449 392 K N 0.777 121.170 120.400 -0.012 0.000 2.155 392 K HA -0.116 4.204 4.320 0.000 0.000 0.203 392 K C 2.306 178.898 176.600 -0.014 0.000 1.052 392 K CA 1.017 57.297 56.287 -0.012 0.000 0.948 392 K CB -0.031 32.464 32.500 -0.009 0.000 0.728 392 K HN -0.086 nan 8.250 nan 0.000 0.448 393 K N 0.364 120.756 120.400 -0.013 0.000 2.063 393 K HA -0.161 4.159 4.320 0.000 0.000 0.208 393 K C 1.896 178.482 176.600 -0.023 0.000 1.048 393 K CA 1.390 57.669 56.287 -0.014 0.000 0.928 393 K CB -0.158 32.336 32.500 -0.011 0.000 0.713 393 K HN 0.201 nan 8.250 nan 0.000 0.442 394 A N 1.415 124.220 122.820 -0.026 0.000 1.898 394 A HA -0.121 4.199 4.320 0.000 0.000 0.216 394 A C 2.132 179.687 177.584 -0.049 0.000 1.181 394 A CA 1.217 53.230 52.037 -0.040 0.000 0.620 394 A CB -0.422 18.558 19.000 -0.033 0.000 0.819 394 A HN 0.310 nan 8.150 nan 0.000 0.442 395 R N -0.688 119.791 120.500 -0.035 0.000 2.115 395 R HA -0.060 4.281 4.340 0.000 0.000 0.230 395 R C 2.030 178.311 176.300 -0.031 0.000 1.111 395 R CA 1.318 57.398 56.100 -0.033 0.000 0.976 395 R CB -0.416 29.870 30.300 -0.022 0.000 0.870 395 R HN 0.409 nan 8.270 nan 0.000 0.445 396 V N 1.025 120.923 119.914 -0.025 0.000 2.295 396 V HA -0.236 3.884 4.120 0.000 0.000 0.246 396 V C 2.003 178.083 176.094 -0.024 0.000 1.049 396 V CA 1.764 64.054 62.300 -0.017 0.000 1.024 396 V CB -0.391 31.426 31.823 -0.009 0.000 0.648 396 V HN 0.348 nan 8.190 nan 0.000 0.447 397 E N -0.111 120.060 120.200 -0.049 0.000 2.085 397 E HA -0.273 4.077 4.350 0.000 0.000 0.194 397 E C 1.921 178.403 176.600 -0.196 0.000 0.994 397 E CA 1.815 58.157 56.400 -0.097 0.000 0.801 397 E CB -0.144 29.481 29.700 -0.125 0.000 0.743 397 E HN 0.650 nan 8.360 nan 0.000 0.453 398 D N 0.004 120.305 120.400 -0.166 0.000 2.077 398 D HA -0.115 4.525 4.640 0.000 0.000 0.196 398 D C 1.834 178.109 176.300 -0.041 0.000 0.986 398 D CA 1.491 55.401 54.000 -0.150 0.000 0.829 398 D CB -0.281 40.464 40.800 -0.091 0.000 0.983 398 D HN 0.180 nan 8.370 nan 0.000 0.453 399 A N 0.166 122.975 122.820 -0.018 0.000 2.032 399 A HA -0.168 4.152 4.320 0.000 0.000 0.221 399 A C 2.068 179.676 177.584 0.040 0.000 1.165 399 A CA 1.062 53.105 52.037 0.011 0.000 0.645 399 A CB -0.699 18.303 19.000 0.003 0.000 0.807 399 A HN 0.245 nan 8.150 nan 0.000 0.453 400 L N -0.845 120.412 121.223 0.056 0.000 2.005 400 L HA -0.140 4.200 4.340 0.000 0.000 0.207 400 L C 2.406 179.372 176.870 0.160 0.000 1.072 400 L CA 2.224 57.123 54.840 0.098 0.000 0.744 400 L CB -0.728 41.400 42.059 0.114 0.000 0.895 400 L HN 0.566 nan 8.230 nan 0.000 0.433 401 H N -1.126 117.943 119.070 -0.001 0.000 2.319 401 H HA -0.188 4.368 4.556 0.000 0.000 0.297 401 H C 2.064 177.394 175.328 0.003 0.000 1.097 401 H CA 1.000 57.048 56.048 0.000 0.000 1.285 401 H CB -0.021 29.741 29.762 -0.000 0.000 1.368 401 H HN 0.542 nan 8.280 nan 0.000 0.495 402 A N 0.536 123.442 122.820 0.143 0.000 1.877 402 A HA -0.173 4.147 4.320 0.000 0.000 0.216 402 A C 2.530 180.144 177.584 0.050 0.000 1.186 402 A CA 2.085 54.166 52.037 0.075 0.000 0.620 402 A CB -0.878 18.152 19.000 0.050 0.000 0.822 402 A HN 0.347 nan 8.150 nan 0.000 0.443 403 T N -0.604 113.978 114.554 0.047 0.000 2.737 403 T HA -0.133 4.217 4.350 0.000 0.000 0.265 403 T C 2.099 176.813 174.700 0.024 0.000 1.038 403 T CA 1.720 63.839 62.100 0.031 0.000 1.144 403 T CB -0.243 68.642 68.868 0.027 0.000 0.866 403 T HN 0.574 nan 8.240 nan 0.000 0.434 404 R N 1.936 122.450 120.500 0.024 0.000 2.091 404 R HA 0.004 4.344 4.340 0.000 0.000 0.238 404 R C 2.269 178.569 176.300 0.001 0.000 1.136 404 R CA 1.907 58.009 56.100 0.004 0.000 0.959 404 R CB -0.881 29.409 30.300 -0.017 0.000 0.856 404 R HN 0.332 nan 8.270 nan 0.000 0.437 405 A N 0.026 122.851 122.820 0.008 0.000 1.968 405 A HA 0.110 4.430 4.320 0.000 0.000 0.217 405 A C 2.341 179.934 177.584 0.015 0.000 1.169 405 A CA 1.367 53.411 52.037 0.011 0.000 0.638 405 A CB -0.819 18.194 19.000 0.021 0.000 0.812 405 A HN 0.512 nan 8.150 nan 0.000 0.446 406 A N -0.654 122.177 122.820 0.018 0.000 1.968 406 A HA 0.095 4.415 4.320 0.000 0.000 0.217 406 A C 2.150 179.742 177.584 0.012 0.000 1.169 406 A CA 1.477 53.523 52.037 0.016 0.000 0.638 406 A CB -0.657 18.354 19.000 0.017 0.000 0.812 406 A HN 0.310 nan 8.150 nan 0.000 0.446 407 V N 1.203 121.123 119.914 0.010 0.000 2.358 407 V HA -0.252 3.868 4.120 0.000 0.000 0.246 407 V C 2.555 178.653 176.094 0.006 0.000 1.047 407 V CA 2.262 64.566 62.300 0.007 0.000 1.035 407 V CB -0.705 31.121 31.823 0.005 0.000 0.658 407 V HN 0.889 nan 8.190 nan 0.000 0.452 408 E N -0.327 119.876 120.200 0.005 0.000 2.299 408 E HA -0.100 4.250 4.350 0.000 0.000 0.193 408 E C 1.285 177.889 176.600 0.006 0.000 0.998 408 E CA 0.977 57.380 56.400 0.004 0.000 0.851 408 E CB 0.019 29.720 29.700 0.002 0.000 0.795 408 E HN 0.668 nan 8.360 nan 0.000 0.492 409 E N 0.278 120.483 120.200 0.009 0.000 2.702 409 E HA 0.231 4.581 4.350 0.000 0.000 0.225 409 E C 0.255 176.862 176.600 0.011 0.000 0.942 409 E CA 0.075 56.481 56.400 0.010 0.000 1.210 409 E CB 1.546 31.252 29.700 0.011 0.000 1.143 409 E HN 0.307 nan 8.360 nan 0.000 0.544 410 G N 1.206 110.013 108.800 0.012 0.000 2.725 410 G HA2 -0.216 3.744 3.960 0.000 0.000 0.220 410 G HA3 -0.216 3.744 3.960 0.000 0.000 0.220 410 G C -0.346 174.563 174.900 0.015 0.000 1.357 410 G CA -0.453 44.655 45.100 0.013 0.000 0.866 410 G HN 0.484 nan 8.290 nan 0.000 0.548 411 V N -2.487 117.436 119.914 0.015 0.000 2.823 411 V HA 0.955 5.075 4.120 0.000 0.000 0.312 411 V C 0.642 176.747 176.094 0.019 0.000 1.072 411 V CA -0.002 62.309 62.300 0.017 0.000 0.937 411 V CB 1.220 33.052 31.823 0.015 0.000 1.013 411 V HN 2.319 nan 8.190 nan 0.000 0.430 412 V N 0.211 120.137 119.914 0.021 0.000 3.126 412 V HA 1.011 5.132 4.120 0.000 0.000 0.314 412 V C 0.573 176.681 176.094 0.023 0.000 1.138 412 V CA -0.667 61.647 62.300 0.024 0.000 1.034 412 V CB 1.364 33.202 31.823 0.026 0.000 1.075 412 V HN 1.847 nan 8.190 nan 0.000 0.442 413 A N 0.965 123.802 122.820 0.027 0.000 2.520 413 A HA 0.643 4.964 4.320 0.000 0.000 0.245 413 A C 0.891 178.488 177.584 0.021 0.000 1.072 413 A CA 0.571 52.622 52.037 0.023 0.000 0.761 413 A CB -0.445 18.574 19.000 0.032 0.000 1.004 413 A HN 1.833 nan 8.150 nan 0.000 0.499 414 G N 0.869 109.676 108.800 0.012 0.000 2.485 414 G HA2 0.485 4.445 3.960 0.000 0.000 0.260 414 G HA3 0.485 4.445 3.960 0.000 0.000 0.260 414 G C 1.208 176.118 174.900 0.016 0.000 1.459 414 G CA 0.011 45.118 45.100 0.012 0.000 1.060 414 G HN 2.229 nan 8.290 nan 0.000 0.546 415 G N -1.957 106.852 108.800 0.016 0.000 2.212 415 G HA2 0.182 4.142 3.960 0.000 0.000 0.267 415 G HA3 0.182 4.142 3.960 0.000 0.000 0.267 415 G C 1.544 176.471 174.900 0.046 0.000 1.002 415 G CA 1.334 46.452 45.100 0.030 0.000 0.729 415 G HN 2.464 nan 8.290 nan 0.000 0.517 416 G N -2.326 106.497 108.800 0.038 0.000 2.155 416 G HA2 -0.110 3.850 3.960 0.000 0.000 0.257 416 G HA3 -0.110 3.850 3.960 0.000 0.000 0.257 416 G C 1.740 176.669 174.900 0.047 0.000 0.983 416 G CA 1.873 46.997 45.100 0.040 0.000 0.676 416 G HN 2.225 nan 8.290 nan 0.000 0.528 417 V N -2.590 117.355 119.914 0.052 0.000 2.871 417 V HA 0.449 4.569 4.120 0.000 0.000 0.256 417 V C 2.660 178.789 176.094 0.059 0.000 1.082 417 V CA 1.766 64.105 62.300 0.064 0.000 1.105 417 V CB -0.488 31.378 31.823 0.072 0.000 0.713 417 V HN 1.289 nan 8.190 nan 0.000 0.473 418 A N 0.874 123.722 122.820 0.047 0.000 1.873 418 A HA 0.011 4.331 4.320 0.000 0.000 0.215 418 A C 2.211 179.819 177.584 0.039 0.000 1.186 418 A CA 2.027 54.089 52.037 0.043 0.000 0.616 418 A CB -0.629 18.392 19.000 0.035 0.000 0.823 418 A HN 0.556 nan 8.150 nan 0.000 0.442 419 L N -0.897 120.348 121.223 0.037 0.000 2.046 419 L HA -0.135 4.205 4.340 0.000 0.000 0.208 419 L C 2.520 179.410 176.870 0.033 0.000 1.077 419 L CA 1.398 56.257 54.840 0.032 0.000 0.747 419 L CB -0.319 41.758 42.059 0.030 0.000 0.896 419 L HN 0.463 nan 8.230 nan 0.000 0.432 420 I N -0.469 120.124 120.570 0.039 0.000 2.315 420 I HA -0.287 3.883 4.170 0.000 0.000 0.248 420 I C 2.773 178.916 176.117 0.045 0.000 1.117 420 I CA 0.865 62.190 61.300 0.040 0.000 1.404 420 I CB 0.051 38.078 38.000 0.046 0.000 1.071 420 I HN 0.196 nan 8.210 nan 0.000 0.419 421 R N 0.314 120.846 120.500 0.053 0.000 2.066 421 R HA -0.111 4.229 4.340 0.000 0.000 0.232 421 R C 2.033 178.357 176.300 0.040 0.000 1.131 421 R CA 1.901 58.035 56.100 0.056 0.000 0.955 421 R CB -0.939 29.402 30.300 0.068 0.000 0.851 421 R HN 0.202 nan 8.270 nan 0.000 0.432 422 V N 0.991 120.926 119.914 0.035 0.000 2.332 422 V HA -0.236 3.884 4.120 0.000 0.000 0.248 422 V C 2.327 178.434 176.094 0.021 0.000 1.055 422 V CA 2.038 64.354 62.300 0.026 0.000 1.038 422 V CB -0.852 30.985 31.823 0.023 0.000 0.651 422 V HN 0.587 nan 8.190 nan 0.000 0.450 423 A N 0.468 123.302 122.820 0.022 0.000 1.902 423 A HA -0.217 4.103 4.320 0.000 0.000 0.217 423 A C 2.484 180.079 177.584 0.017 0.000 1.181 423 A CA 2.321 54.370 52.037 0.018 0.000 0.623 423 A CB -0.823 18.188 19.000 0.019 0.000 0.818 423 A HN 0.719 nan 8.150 nan 0.000 0.443 424 S N -0.592 115.120 115.700 0.021 0.000 2.507 424 S HA -0.050 4.420 4.470 0.000 0.000 0.235 424 S C 1.459 176.067 174.600 0.014 0.000 0.988 424 S CA 1.062 59.273 58.200 0.018 0.000 0.944 424 S CB -0.184 63.029 63.200 0.023 0.000 0.762 424 S HN 0.490 nan 8.310 nan 0.000 0.526 425 K N 0.738 121.147 120.400 0.015 0.000 2.459 425 K HA 0.270 4.590 4.320 0.000 0.000 0.193 425 K C 0.696 177.301 176.600 0.008 0.000 1.030 425 K CA 0.330 56.624 56.287 0.011 0.000 1.026 425 K CB -0.098 32.410 32.500 0.013 0.000 0.809 425 K HN 0.474 nan 8.250 nan 0.000 0.504 426 L N -0.035 121.193 121.223 0.009 0.000 3.066 426 L HA 0.244 4.584 4.340 0.000 0.000 0.265 426 L C 1.534 178.407 176.870 0.005 0.000 1.232 426 L CA -0.194 54.650 54.840 0.007 0.000 1.031 426 L CB 0.447 42.511 42.059 0.007 0.000 1.379 426 L HN -0.090 nan 8.230 nan 0.000 0.563 427 A N -0.377 122.446 122.820 0.005 0.000 2.070 427 A HA -0.156 4.164 4.320 0.000 0.000 0.220 427 A C 1.498 179.084 177.584 0.003 0.000 1.159 427 A CA 1.533 53.572 52.037 0.004 0.000 0.656 427 A CB -0.150 18.852 19.000 0.003 0.000 0.800 427 A HN 0.331 nan 8.150 nan 0.000 0.453 428 D N -1.231 119.170 120.400 0.002 0.000 2.349 428 D HA 0.168 4.808 4.640 0.000 0.000 0.214 428 D C 0.085 176.386 176.300 0.002 0.000 1.063 428 D CA -0.197 53.804 54.000 0.002 0.000 0.847 428 D CB 0.020 40.821 40.800 0.001 0.000 0.933 428 D HN 0.341 nan 8.370 nan 0.000 0.513 429 L N 1.906 123.130 121.223 0.002 0.000 2.410 429 L HA 0.155 4.495 4.340 0.000 0.000 0.273 429 L C 0.034 176.905 176.870 0.002 0.000 1.144 429 L CA 0.447 55.288 54.840 0.002 0.000 0.863 429 L CB 0.168 42.228 42.059 0.002 0.000 1.140 429 L HN -0.241 nan 8.230 nan 0.000 0.463 430 R N 3.311 123.811 120.500 0.001 0.000 2.867 430 R HA 0.727 5.067 4.340 0.000 0.000 0.268 430 R C -0.165 176.135 176.300 0.001 0.000 1.014 430 R CA -0.395 55.706 56.100 0.001 0.000 0.946 430 R CB 1.466 31.766 30.300 0.001 0.000 1.208 430 R HN 0.793 nan 8.270 nan 0.000 0.477 431 G N -0.270 108.531 108.800 0.001 0.000 3.119 431 G HA2 0.244 4.204 3.960 0.000 0.000 0.206 431 G HA3 0.244 4.204 3.960 0.000 0.000 0.206 431 G C 0.088 174.989 174.900 0.001 0.000 1.313 431 G CA -0.211 44.889 45.100 0.001 0.000 1.010 431 G HN 0.406 nan 8.290 nan 0.000 0.578 432 Q N -0.572 119.229 119.800 0.001 0.000 2.163 432 Q HA 0.084 4.424 4.340 0.000 0.000 0.198 432 Q C 0.363 176.363 176.000 0.001 0.000 0.954 432 Q CA 1.077 56.880 55.803 0.001 0.000 0.851 432 Q CB 0.082 28.821 28.738 0.001 0.000 0.928 432 Q HN 0.627 nan 8.270 nan 0.000 0.459 433 N N -1.486 117.215 118.700 0.001 0.000 2.629 433 N HA 0.083 4.823 4.740 0.000 0.000 0.279 433 N C -0.088 175.423 175.510 0.002 0.000 1.344 433 N CA -0.534 52.517 53.050 0.002 0.000 0.789 433 N CB 0.562 39.050 38.487 0.002 0.000 1.508 433 N HN -0.287 nan 8.380 nan 0.000 0.516 434 E N -0.581 119.620 120.200 0.002 0.000 2.204 434 E HA -0.099 4.251 4.350 0.000 0.000 0.195 434 E C 0.298 176.899 176.600 0.002 0.000 0.990 434 E CA 1.220 57.621 56.400 0.002 0.000 0.821 434 E CB -0.194 29.507 29.700 0.002 0.000 0.750 434 E HN 0.569 nan 8.360 nan 0.000 0.477 435 D N -0.186 120.216 120.400 0.003 0.000 2.117 435 D HA -0.123 4.517 4.640 0.000 0.000 0.198 435 D C 1.790 178.092 176.300 0.004 0.000 0.982 435 D CA 0.850 54.852 54.000 0.003 0.000 0.828 435 D CB -0.144 40.658 40.800 0.004 0.000 0.967 435 D HN 0.305 nan 8.370 nan 0.000 0.464 436 Q N 0.183 119.985 119.800 0.003 0.000 2.084 436 Q HA -0.126 4.214 4.340 0.000 0.000 0.202 436 Q C 1.849 177.851 176.000 0.003 0.000 0.978 436 Q CA 0.791 56.596 55.803 0.003 0.000 0.844 436 Q CB -0.065 28.674 28.738 0.002 0.000 0.898 436 Q HN 0.242 nan 8.270 nan 0.000 0.426 437 N N 0.256 118.957 118.700 0.003 0.000 2.036 437 N HA -0.156 4.585 4.740 0.000 0.000 0.195 437 N C 1.890 177.402 175.510 0.003 0.000 1.037 437 N CA 1.200 54.252 53.050 0.003 0.000 0.855 437 N CB -0.561 37.928 38.487 0.002 0.000 1.033 437 N HN 0.043 nan 8.380 nan 0.000 0.423 438 V N 0.877 120.793 119.914 0.003 0.000 2.287 438 V HA -0.186 3.934 4.120 0.000 0.000 0.248 438 V C 2.419 178.516 176.094 0.005 0.000 1.053 438 V CA 2.085 64.388 62.300 0.004 0.000 1.027 438 V CB -1.279 30.547 31.823 0.004 0.000 0.646 438 V HN 0.395 nan 8.190 nan 0.000 0.447 439 G N -0.251 108.552 108.800 0.005 0.000 2.442 439 G HA2 -0.246 3.714 3.960 0.000 0.000 0.219 439 G HA3 -0.246 3.714 3.960 0.000 0.000 0.219 439 G C 1.558 176.461 174.900 0.005 0.000 1.141 439 G CA 1.153 46.257 45.100 0.005 0.000 0.763 439 G HN 0.502 nan 8.290 nan 0.000 0.554 440 I N 0.315 120.887 120.570 0.004 0.000 2.142 440 I HA -0.154 4.016 4.170 0.000 0.000 0.240 440 I C 2.708 178.828 176.117 0.005 0.000 1.078 440 I CA 1.112 62.415 61.300 0.004 0.000 1.343 440 I CB -0.129 37.873 38.000 0.003 0.000 1.046 440 I HN 0.002 nan 8.210 nan 0.000 0.405 441 K N 0.537 120.940 120.400 0.005 0.000 2.147 441 K HA -0.096 4.225 4.320 0.000 0.000 0.205 441 K C 2.129 178.733 176.600 0.007 0.000 1.049 441 K CA 0.998 57.288 56.287 0.006 0.000 0.936 441 K CB -0.620 31.883 32.500 0.005 0.000 0.722 441 K HN 0.229 nan 8.250 nan 0.000 0.446 442 V N 1.554 121.472 119.914 0.007 0.000 2.295 442 V HA -0.254 3.866 4.120 0.000 0.000 0.246 442 V C 2.469 178.568 176.094 0.009 0.000 1.049 442 V CA 2.071 64.376 62.300 0.008 0.000 1.024 442 V CB -0.726 31.101 31.823 0.008 0.000 0.648 442 V HN 0.307 nan 8.190 nan 0.000 0.447 443 A N -0.557 122.269 122.820 0.009 0.000 1.930 443 A HA -0.095 4.225 4.320 0.000 0.000 0.217 443 A C 2.174 179.765 177.584 0.010 0.000 1.175 443 A CA 1.517 53.560 52.037 0.010 0.000 0.627 443 A CB -0.445 18.559 19.000 0.008 0.000 0.815 443 A HN 0.509 nan 8.150 nan 0.000 0.443 444 L N -1.305 119.924 121.223 0.009 0.000 2.156 444 L HA -0.116 4.224 4.340 0.000 0.000 0.208 444 L C 2.818 179.694 176.870 0.011 0.000 1.095 444 L CA 1.054 55.900 54.840 0.011 0.000 0.770 444 L CB -0.500 41.564 42.059 0.009 0.000 0.914 444 L HN 0.362 nan 8.230 nan 0.000 0.439 445 R N 0.126 120.632 120.500 0.010 0.000 2.092 445 R HA -0.074 4.266 4.340 0.000 0.000 0.231 445 R C 2.453 178.760 176.300 0.012 0.000 1.119 445 R CA 1.184 57.290 56.100 0.010 0.000 0.970 445 R CB -0.373 29.932 30.300 0.008 0.000 0.864 445 R HN 0.308 nan 8.270 nan 0.000 0.440 446 A N 1.051 123.879 122.820 0.012 0.000 1.978 446 A HA -0.168 4.152 4.320 0.000 0.000 0.220 446 A C 2.083 179.676 177.584 0.017 0.000 1.170 446 A CA 1.351 53.397 52.037 0.014 0.000 0.636 446 A CB -0.414 18.595 19.000 0.015 0.000 0.810 446 A HN 0.215 nan 8.150 nan 0.000 0.448 447 M N -0.547 119.063 119.600 0.017 0.000 2.460 447 M HA -0.115 4.365 4.480 0.000 0.000 0.263 447 M C 1.401 177.714 176.300 0.021 0.000 1.071 447 M CA 1.059 56.371 55.300 0.020 0.000 1.096 447 M CB -0.253 32.358 32.600 0.019 0.000 1.408 447 M HN 0.477 nan 8.290 nan 0.000 0.463 448 E N 0.277 120.488 120.200 0.018 0.000 2.435 448 E HA -0.000 4.350 4.350 0.000 0.000 0.195 448 E C 2.002 178.612 176.600 0.015 0.000 1.029 448 E CA 0.449 56.859 56.400 0.018 0.000 0.865 448 E CB 0.004 29.712 29.700 0.013 0.000 0.833 448 E HN 0.481 nan 8.360 nan 0.000 0.510 449 A N 2.733 125.563 122.820 0.016 0.000 1.849 449 A HA -0.173 4.148 4.320 0.000 0.000 0.217 449 A C -0.215 177.379 177.584 0.016 0.000 1.202 449 A CA 1.493 53.539 52.037 0.015 0.000 0.629 449 A CB -1.614 17.395 19.000 0.017 0.000 0.834 449 A HN 0.136 nan 8.150 nan 0.000 0.447 450 P HA -0.159 nan 4.420 nan 0.000 0.215 450 P C 1.830 179.144 177.300 0.024 0.000 1.157 450 P CA 1.193 64.307 63.100 0.023 0.000 0.868 450 P CB -0.139 31.577 31.700 0.027 0.000 0.788 451 L N -0.647 120.592 121.223 0.026 0.000 2.017 451 L HA -0.172 4.168 4.340 0.000 0.000 0.208 451 L C 2.463 179.339 176.870 0.010 0.000 1.073 451 L CA 1.805 56.662 54.840 0.029 0.000 0.745 451 L CB -0.396 41.684 42.059 0.034 0.000 0.894 451 L HN -0.217 nan 8.230 nan 0.000 0.432 452 R N -0.858 119.643 120.500 0.002 0.000 2.105 452 R HA -0.229 4.111 4.340 0.000 0.000 0.239 452 R C 2.330 178.627 176.300 -0.005 0.000 1.135 452 R CA 1.673 57.766 56.100 -0.011 0.000 0.967 452 R CB -0.350 29.946 30.300 -0.006 0.000 0.861 452 R HN 0.430 nan 8.270 nan 0.000 0.442 453 Q N 1.100 120.903 119.800 0.006 0.000 2.046 453 Q HA -0.080 4.260 4.340 0.000 0.000 0.200 453 Q C 1.863 177.871 176.000 0.014 0.000 0.975 453 Q CA 1.539 57.347 55.803 0.009 0.000 0.836 453 Q CB -0.183 28.562 28.738 0.012 0.000 0.896 453 Q HN 0.312 nan 8.270 nan 0.000 0.428 454 I N -0.447 120.136 120.570 0.022 0.000 2.194 454 I HA -0.293 3.877 4.170 0.000 0.000 0.246 454 I C 2.018 178.161 176.117 0.044 0.000 1.093 454 I CA 1.090 62.412 61.300 0.036 0.000 1.355 454 I CB -0.284 37.746 38.000 0.050 0.000 1.046 454 I HN 0.076 nan 8.210 nan 0.000 0.413 455 V N 0.327 120.255 119.914 0.022 0.000 2.515 455 V HA -0.247 3.873 4.120 0.000 0.000 0.250 455 V C 2.271 178.362 176.094 -0.005 0.000 1.058 455 V CA 1.433 63.727 62.300 -0.010 0.000 1.064 455 V CB -0.447 31.308 31.823 -0.113 0.000 0.675 455 V HN 0.348 nan 8.190 nan 0.000 0.461 456 L N 0.619 121.840 121.223 -0.003 0.000 2.072 456 L HA -0.057 4.284 4.340 0.000 0.000 0.205 456 L C 2.242 179.118 176.870 0.009 0.000 1.079 456 L CA 1.703 56.543 54.840 -0.000 0.000 0.752 456 L CB -0.693 41.365 42.059 -0.001 0.000 0.906 456 L HN 0.289 nan 8.230 nan 0.000 0.436 457 N N -1.028 117.681 118.700 0.014 0.000 2.348 457 N HA -0.184 4.556 4.740 0.000 0.000 0.185 457 N C 1.602 177.124 175.510 0.020 0.000 1.019 457 N CA 1.587 54.646 53.050 0.015 0.000 0.880 457 N CB -0.734 37.763 38.487 0.016 0.000 0.965 457 N HN 0.418 nan 8.380 nan 0.000 0.437 458 C N -0.514 118.804 119.300 0.030 0.000 2.626 458 C HA 0.317 4.777 4.460 0.000 0.000 0.266 458 C C 1.579 176.588 174.990 0.032 0.000 1.317 458 C CA -0.027 59.015 59.018 0.039 0.000 1.716 458 C CB -1.109 26.678 27.740 0.078 0.000 1.819 458 C HN 0.587 nan 8.230 nan 0.000 0.578 459 G N 1.669 110.481 108.800 0.020 0.000 2.221 459 G HA2 -0.178 3.782 3.960 0.000 0.000 0.265 459 G HA3 -0.178 3.782 3.960 0.000 0.000 0.265 459 G C -0.225 174.683 174.900 0.013 0.000 1.041 459 G CA 0.253 45.362 45.100 0.014 0.000 0.807 459 G HN 0.567 nan 8.290 nan 0.000 0.502 460 E N -0.246 119.959 120.200 0.008 0.000 2.259 460 E HA 0.397 4.747 4.350 0.000 0.000 0.257 460 E C 0.061 176.643 176.600 -0.030 0.000 0.998 460 E CA -0.820 55.576 56.400 -0.006 0.000 0.866 460 E CB 0.917 30.612 29.700 -0.009 0.000 1.220 460 E HN 0.470 nan 8.360 nan 0.000 0.415 461 E N 1.726 121.903 120.200 -0.039 0.000 2.105 461 E HA 0.103 4.453 4.350 0.000 0.000 0.285 461 E C -1.704 174.856 176.600 -0.067 0.000 1.055 461 E CA -1.617 54.760 56.400 -0.039 0.000 0.843 461 E CB 0.872 30.558 29.700 -0.024 0.000 1.067 461 E HN 0.120 nan 8.360 nan 0.000 0.398 462 P HA -0.161 nan 4.420 nan 0.000 0.216 462 P C 0.920 178.185 177.300 -0.057 0.000 1.150 462 P CA 1.076 64.136 63.100 -0.067 0.000 0.837 462 P CB 0.355 32.032 31.700 -0.038 0.000 0.786 463 S N -0.691 114.987 115.700 -0.037 0.000 2.383 463 S HA -0.089 4.381 4.470 0.000 0.000 0.227 463 S C 2.011 176.595 174.600 -0.027 0.000 1.026 463 S CA 1.195 59.380 58.200 -0.025 0.000 0.981 463 S CB -1.312 61.878 63.200 -0.016 0.000 0.818 463 S HN -0.016 nan 8.310 nan 0.000 0.472 464 V N 1.514 121.408 119.914 -0.033 0.000 2.307 464 V HA -0.099 4.021 4.120 0.000 0.000 0.245 464 V C 2.362 178.436 176.094 -0.032 0.000 1.045 464 V CA 1.259 63.544 62.300 -0.025 0.000 1.024 464 V CB -0.796 31.016 31.823 -0.017 0.000 0.651 464 V HN 0.341 nan 8.190 nan 0.000 0.449 465 V N 0.393 120.255 119.914 -0.087 0.000 2.307 465 V HA -0.204 3.916 4.120 0.000 0.000 0.245 465 V C 2.770 178.835 176.094 -0.048 0.000 1.045 465 V CA 1.929 64.146 62.300 -0.138 0.000 1.024 465 V CB -1.125 30.430 31.823 -0.448 0.000 0.651 465 V HN 0.534 nan 8.190 nan 0.000 0.449 466 A N 0.315 123.106 122.820 -0.048 0.000 1.917 466 A HA -0.324 3.996 4.320 0.000 0.000 0.219 466 A C 2.047 179.641 177.584 0.016 0.000 1.182 466 A CA 2.533 54.567 52.037 -0.005 0.000 0.633 466 A CB -0.908 18.086 19.000 -0.010 0.000 0.819 466 A HN 0.613 nan 8.150 nan 0.000 0.448 467 N N -0.690 118.013 118.700 0.004 0.000 2.084 467 N HA -0.114 4.626 4.740 0.000 0.000 0.190 467 N C 1.704 177.222 175.510 0.012 0.000 1.030 467 N CA 2.219 55.273 53.050 0.006 0.000 0.849 467 N CB -0.348 38.136 38.487 -0.005 0.000 1.012 467 N HN 0.444 nan 8.380 nan 0.000 0.423 468 T N -0.578 113.984 114.554 0.013 0.000 2.777 468 T HA -0.052 4.298 4.350 0.000 0.000 0.266 468 T C 1.991 176.738 174.700 0.078 0.000 1.040 468 T CA 1.078 63.169 62.100 -0.015 0.000 1.141 468 T CB -0.382 68.427 68.868 -0.098 0.000 0.868 468 T HN -0.004 nan 8.240 nan 0.000 0.444 469 V N 1.672 121.676 119.914 0.151 0.000 2.295 469 V HA -0.174 3.946 4.120 0.000 0.000 0.246 469 V C 2.528 178.725 176.094 0.171 0.000 1.049 469 V CA 1.504 63.934 62.300 0.218 0.000 1.024 469 V CB -0.503 31.425 31.823 0.176 0.000 0.648 469 V HN 0.441 nan 8.190 nan 0.000 0.447 470 K N 0.322 120.780 120.400 0.096 0.000 2.160 470 K HA -0.140 4.180 4.320 0.000 0.000 0.206 470 K C 1.764 178.390 176.600 0.044 0.000 1.047 470 K CA 1.442 57.767 56.287 0.062 0.000 0.930 470 K CB -0.515 32.006 32.500 0.035 0.000 0.720 470 K HN 0.573 nan 8.250 nan 0.000 0.450 471 G N 0.869 109.688 108.800 0.033 0.000 3.332 471 G HA2 0.162 4.122 3.960 0.000 0.000 0.242 471 G HA3 0.162 4.122 3.960 0.000 0.000 0.242 471 G C 0.143 175.006 174.900 -0.062 0.000 1.276 471 G CA -0.013 45.078 45.100 -0.017 0.000 0.988 471 G HN 0.265 nan 8.290 nan 0.000 0.517 472 G N -0.747 108.052 108.800 -0.001 0.000 2.685 472 G HA2 0.576 4.536 3.960 0.000 0.000 0.298 472 G HA3 0.576 4.536 3.960 0.000 0.000 0.298 472 G C -1.477 173.407 174.900 -0.026 0.000 1.277 472 G CA -0.635 44.400 45.100 -0.109 0.000 0.986 472 G HN 0.059 nan 8.290 nan 0.000 0.487 473 D N -0.983 119.383 120.400 -0.057 0.000 2.350 473 D HA 0.560 5.200 4.640 0.000 0.000 0.238 473 D C 1.123 177.471 176.300 0.080 0.000 0.989 473 D CA 0.706 54.710 54.000 0.005 0.000 0.921 473 D CB 1.732 42.511 40.800 -0.036 0.000 1.297 473 D HN 0.843 nan 8.370 nan 0.000 0.490 474 G N 1.765 110.605 108.800 0.066 0.000 2.672 474 G HA2 -0.373 3.587 3.960 0.000 0.000 0.324 474 G HA3 -0.373 3.587 3.960 0.000 0.000 0.324 474 G C 0.305 175.268 174.900 0.104 0.000 1.286 474 G CA 0.494 45.638 45.100 0.074 0.000 1.004 474 G HN 0.626 nan 8.290 nan 0.000 0.548 475 N N 0.092 118.856 118.700 0.106 0.000 2.378 475 N HA 0.385 5.125 4.740 0.000 0.000 0.243 475 N C -0.133 175.463 175.510 0.142 0.000 1.137 475 N CA -0.091 53.020 53.050 0.102 0.000 0.862 475 N CB 0.233 38.759 38.487 0.066 0.000 1.116 475 N HN 0.540 nan 8.380 nan 0.000 0.499 476 Y N 0.403 120.736 120.300 0.055 0.000 2.299 476 Y HA 0.626 5.176 4.550 0.000 0.000 0.326 476 Y C 0.681 176.651 175.900 0.117 0.000 1.164 476 Y CA -0.090 58.059 58.100 0.080 0.000 1.234 476 Y CB 0.671 39.173 38.460 0.070 0.000 1.219 476 Y HN 0.062 nan 8.280 nan 0.000 0.497 477 G N 3.122 111.652 108.800 -0.451 0.000 2.428 477 G HA2 0.076 4.036 3.960 0.000 0.000 0.305 477 G HA3 0.076 4.036 3.960 0.000 0.000 0.305 477 G C -2.433 172.394 174.900 -0.123 0.000 1.260 477 G CA -1.059 43.931 45.100 -0.185 0.000 0.853 477 G HN 0.612 nan 8.290 nan 0.000 0.480 478 Y N 2.206 122.422 120.300 -0.141 0.000 2.477 478 Y HA 0.497 5.048 4.550 0.000 0.000 0.349 478 Y C 0.640 176.367 175.900 -0.288 0.000 0.977 478 Y CA -1.196 56.690 58.100 -0.356 0.000 1.214 478 Y CB 0.555 38.904 38.460 -0.186 0.000 1.124 478 Y HN 0.455 nan 8.280 nan 0.000 0.521 479 N N 4.833 123.115 118.700 -0.697 0.000 2.417 479 N HA -0.045 4.695 4.740 0.000 0.000 0.272 479 N C 0.780 175.817 175.510 -0.789 0.000 1.304 479 N CA 0.822 53.524 53.050 -0.580 0.000 0.906 479 N CB 1.031 39.237 38.487 -0.468 0.000 1.135 479 N HN 0.880 nan 8.380 nan 0.000 0.483 480 A N 4.085 126.651 122.820 -0.423 0.000 1.972 480 A HA -0.043 4.277 4.320 0.000 0.000 0.219 480 A C 1.936 179.380 177.584 -0.232 0.000 1.169 480 A CA 1.842 53.722 52.037 -0.263 0.000 0.635 480 A CB -0.523 18.433 19.000 -0.073 0.000 0.810 480 A HN 0.749 nan 8.150 nan 0.000 0.446 481 A N -1.720 120.968 122.820 -0.221 0.000 1.924 481 A HA 0.170 4.490 4.320 0.000 0.000 0.211 481 A C 1.839 179.322 177.584 -0.169 0.000 1.198 481 A CA 1.593 53.539 52.037 -0.151 0.000 0.657 481 A CB -0.272 18.664 19.000 -0.107 0.000 0.852 481 A HN 0.371 nan 8.150 nan 0.000 0.454 482 T N -0.401 114.018 114.554 -0.224 0.000 3.134 482 T HA 0.299 4.649 4.350 0.000 0.000 0.260 482 T C 0.078 174.627 174.700 -0.251 0.000 1.027 482 T CA 0.340 62.326 62.100 -0.190 0.000 0.913 482 T CB 0.004 68.784 68.868 -0.146 0.000 1.046 482 T HN 0.572 nan 8.240 nan 0.000 0.553 483 E N 0.535 120.486 120.200 -0.414 0.000 3.253 483 E HA -0.203 4.147 4.350 0.000 0.000 0.284 483 E C 0.087 176.384 176.600 -0.506 0.000 0.958 483 E CA 0.843 56.953 56.400 -0.483 0.000 0.917 483 E CB -0.848 28.777 29.700 -0.124 0.000 1.466 483 E HN 0.675 nan 8.360 nan 0.000 0.455 484 E N -0.881 119.012 120.200 -0.511 0.000 2.267 484 E HA 0.451 4.801 4.350 0.000 0.000 0.258 484 E C -0.601 175.652 176.600 -0.578 0.000 1.074 484 E CA -0.477 55.702 56.400 -0.369 0.000 0.915 484 E CB 0.770 30.362 29.700 -0.181 0.000 1.186 484 E HN 0.018 nan 8.360 nan 0.000 0.439 485 Y N -0.776 119.457 120.300 -0.112 0.000 2.376 485 Y HA 0.608 5.158 4.550 0.000 0.000 0.340 485 Y C 0.514 176.312 175.900 -0.170 0.000 0.965 485 Y CA -0.414 57.549 58.100 -0.228 0.000 1.078 485 Y CB 2.381 40.740 38.460 -0.169 0.000 1.193 485 Y HN 0.628 nan 8.280 nan 0.000 0.452 486 G N 1.394 110.108 108.800 -0.142 0.000 2.428 486 G HA2 0.032 3.992 3.960 0.000 0.000 0.304 486 G HA3 0.032 3.992 3.960 0.000 0.000 0.304 486 G C -1.739 173.169 174.900 0.014 0.000 1.303 486 G CA -1.197 43.917 45.100 0.025 0.000 0.825 486 G HN 0.413 nan 8.290 nan 0.000 0.484 487 N N 1.434 120.185 118.700 0.085 0.000 2.406 487 N HA 0.014 4.754 4.740 0.000 0.000 0.274 487 N C 1.924 177.445 175.510 0.019 0.000 1.249 487 N CA -0.209 52.884 53.050 0.073 0.000 0.951 487 N CB 0.396 38.927 38.487 0.073 0.000 1.241 487 N HN 0.404 nan 8.380 nan 0.000 0.485 488 M N 3.405 123.007 119.600 0.003 0.000 2.073 488 M HA -0.242 4.238 4.480 0.000 0.000 0.258 488 M C 1.794 178.087 176.300 -0.011 0.000 1.070 488 M CA 1.552 56.838 55.300 -0.023 0.000 1.103 488 M CB -0.635 31.955 32.600 -0.017 0.000 1.321 488 M HN 0.540 nan 8.290 nan 0.000 0.405 489 I N 0.250 120.824 120.570 0.006 0.000 2.163 489 I HA -0.307 3.863 4.170 0.000 0.000 0.243 489 I C 1.949 178.067 176.117 0.002 0.000 1.085 489 I CA 1.318 62.622 61.300 0.006 0.000 1.347 489 I CB -0.649 37.359 38.000 0.015 0.000 1.044 489 I HN 0.247 nan 8.210 nan 0.000 0.408 490 D N 0.879 121.282 120.400 0.006 0.000 2.218 490 D HA -0.140 4.500 4.640 0.000 0.000 0.204 490 D C 1.846 178.143 176.300 -0.005 0.000 0.976 490 D CA 1.197 55.200 54.000 0.004 0.000 0.853 490 D CB -0.087 40.720 40.800 0.012 0.000 0.939 490 D HN 0.477 nan 8.370 nan 0.000 0.481 491 M N -2.969 116.623 119.600 -0.014 0.000 2.549 491 M HA 0.415 4.895 4.480 0.000 0.000 0.273 491 M C 0.945 177.225 176.300 -0.033 0.000 1.213 491 M CA 0.199 55.483 55.300 -0.027 0.000 0.976 491 M CB 0.674 33.249 32.600 -0.041 0.000 1.457 491 M HN -0.079 nan 8.290 nan 0.000 0.485 492 G N 2.219 111.005 108.800 -0.023 0.000 2.143 492 G HA2 -0.231 3.729 3.960 0.000 0.000 0.248 492 G HA3 -0.231 3.729 3.960 0.000 0.000 0.248 492 G C -0.198 174.686 174.900 -0.026 0.000 0.991 492 G CA 0.077 45.164 45.100 -0.022 0.000 0.689 492 G HN 0.624 nan 8.290 nan 0.000 0.522 493 I N 1.041 121.592 120.570 -0.031 0.000 2.388 493 I HA 0.580 4.751 4.170 0.000 0.000 0.281 493 I C 0.096 176.204 176.117 -0.015 0.000 1.046 493 I CA -0.939 60.342 61.300 -0.031 0.000 1.187 493 I CB 0.715 38.683 38.000 -0.054 0.000 1.351 493 I HN 0.229 nan 8.210 nan 0.000 0.472 494 L N 2.903 124.122 121.223 -0.006 0.000 2.469 494 L HA 0.784 5.124 4.340 0.000 0.000 0.256 494 L C -1.353 175.522 176.870 0.009 0.000 1.006 494 L CA -0.715 54.128 54.840 0.004 0.000 0.832 494 L CB 1.631 43.694 42.059 0.006 0.000 1.421 494 L HN 0.053 nan 8.230 nan 0.000 0.410 495 D N 0.215 120.624 120.400 0.015 0.000 2.457 495 D HA 0.506 5.146 4.640 0.000 0.000 0.240 495 D C -2.745 173.568 176.300 0.021 0.000 1.041 495 D CA -1.262 52.749 54.000 0.019 0.000 0.861 495 D CB 2.386 43.200 40.800 0.023 0.000 1.394 495 D HN 0.382 nan 8.370 nan 0.000 0.473 496 P HA 0.043 nan 4.420 nan 0.000 0.265 496 P C 0.847 178.162 177.300 0.025 0.000 1.193 496 P CA 0.087 63.201 63.100 0.024 0.000 0.765 496 P CB 0.552 32.268 31.700 0.028 0.000 0.823 497 T N 2.244 116.811 114.554 0.022 0.000 2.803 497 T HA -0.212 4.138 4.350 0.000 0.000 0.269 497 T C 1.615 176.329 174.700 0.023 0.000 1.052 497 T CA 1.334 63.447 62.100 0.021 0.000 1.136 497 T CB -0.305 68.574 68.868 0.017 0.000 0.864 497 T HN 0.495 nan 8.240 nan 0.000 0.467 498 K N 0.934 121.348 120.400 0.025 0.000 2.063 498 K HA -0.129 4.192 4.320 0.000 0.000 0.208 498 K C 2.438 179.063 176.600 0.043 0.000 1.048 498 K CA 1.591 57.896 56.287 0.029 0.000 0.928 498 K CB -0.339 32.177 32.500 0.027 0.000 0.713 498 K HN 0.371 nan 8.250 nan 0.000 0.442 499 V N -0.943 118.997 119.914 0.044 0.000 2.453 499 V HA -0.150 3.970 4.120 0.000 0.000 0.247 499 V C 1.737 177.863 176.094 0.054 0.000 1.048 499 V CA 2.231 64.563 62.300 0.053 0.000 1.049 499 V CB -0.738 31.113 31.823 0.047 0.000 0.672 499 V HN 0.271 nan 8.190 nan 0.000 0.457 500 T N 0.346 114.925 114.554 0.042 0.000 2.777 500 T HA -0.098 4.252 4.350 0.000 0.000 0.266 500 T C 1.978 176.699 174.700 0.036 0.000 1.040 500 T CA 1.875 63.998 62.100 0.038 0.000 1.141 500 T CB -0.355 68.531 68.868 0.031 0.000 0.868 500 T HN 0.594 nan 8.240 nan 0.000 0.444 501 R N 1.073 121.590 120.500 0.029 0.000 2.070 501 R HA -0.088 4.252 4.340 0.000 0.000 0.233 501 R C 2.549 178.858 176.300 0.014 0.000 1.137 501 R CA 1.775 57.883 56.100 0.014 0.000 0.945 501 R CB -0.387 29.916 30.300 0.005 0.000 0.845 501 R HN 0.241 nan 8.270 nan 0.000 0.430 502 S N 0.624 116.355 115.700 0.051 0.000 2.368 502 S HA -0.135 4.335 4.470 0.000 0.000 0.225 502 S C 2.031 176.751 174.600 0.199 0.000 1.030 502 S CA 1.161 59.432 58.200 0.120 0.000 0.999 502 S CB -0.289 63.040 63.200 0.215 0.000 0.844 502 S HN 0.575 nan 8.310 nan 0.000 0.459 503 A N 1.474 124.380 122.820 0.143 0.000 1.883 503 A HA -0.103 4.217 4.320 0.000 0.000 0.217 503 A C 2.153 179.798 177.584 0.103 0.000 1.186 503 A CA 1.616 53.730 52.037 0.129 0.000 0.624 503 A CB -0.789 18.259 19.000 0.079 0.000 0.822 503 A HN 0.417 nan 8.150 nan 0.000 0.444 504 L N -0.360 120.898 121.223 0.058 0.000 2.027 504 L HA -0.169 4.171 4.340 0.000 0.000 0.206 504 L C 2.490 179.365 176.870 0.009 0.000 1.074 504 L CA 2.357 57.215 54.840 0.031 0.000 0.745 504 L CB -0.827 41.241 42.059 0.015 0.000 0.898 504 L HN 0.512 nan 8.230 nan 0.000 0.433 505 Q N -1.762 118.014 119.800 -0.041 0.000 2.050 505 Q HA -0.232 4.108 4.340 0.000 0.000 0.202 505 Q C 2.177 178.092 176.000 -0.142 0.000 0.980 505 Q CA 2.202 57.923 55.803 -0.135 0.000 0.840 505 Q CB -0.325 28.261 28.738 -0.254 0.000 0.898 505 Q HN 0.528 nan 8.270 nan 0.000 0.424 506 Y N -0.031 120.273 120.300 0.008 0.000 2.242 506 Y HA -0.179 4.371 4.550 0.000 0.000 0.291 506 Y C 2.331 178.236 175.900 0.008 0.000 1.137 506 Y CA 0.985 59.090 58.100 0.008 0.000 1.181 506 Y CB -0.621 37.843 38.460 0.007 0.000 0.989 506 Y HN 0.145 nan 8.280 nan 0.000 0.527 507 A N 0.083 122.995 122.820 0.155 0.000 1.877 507 A HA -0.163 4.157 4.320 0.000 0.000 0.216 507 A C 2.469 180.089 177.584 0.060 0.000 1.186 507 A CA 2.024 54.116 52.037 0.091 0.000 0.620 507 A CB -1.283 17.758 19.000 0.068 0.000 0.822 507 A HN 0.394 nan 8.150 nan 0.000 0.443 508 A N -0.841 122.001 122.820 0.038 0.000 1.933 508 A HA -0.087 4.233 4.320 0.000 0.000 0.218 508 A C 2.460 180.056 177.584 0.020 0.000 1.175 508 A CA 2.158 54.207 52.037 0.019 0.000 0.628 508 A CB -0.969 18.031 19.000 0.000 0.000 0.814 508 A HN 0.606 nan 8.150 nan 0.000 0.444 509 S N -0.817 114.898 115.700 0.023 0.000 2.351 509 S HA -0.162 4.308 4.470 0.000 0.000 0.220 509 S C 1.978 176.606 174.600 0.047 0.000 1.035 509 S CA 1.937 60.155 58.200 0.030 0.000 1.031 509 S CB -0.621 62.608 63.200 0.048 0.000 0.928 509 S HN 0.514 nan 8.310 nan 0.000 0.433 510 V N 1.610 121.564 119.914 0.067 0.000 2.453 510 V HA 0.050 4.170 4.120 0.000 0.000 0.247 510 V C 2.648 178.766 176.094 0.040 0.000 1.048 510 V CA 1.916 64.249 62.300 0.055 0.000 1.049 510 V CB -1.023 30.836 31.823 0.061 0.000 0.672 510 V HN 0.607 nan 8.190 nan 0.000 0.457 511 A N 0.016 122.858 122.820 0.038 0.000 1.933 511 A HA -0.051 4.269 4.320 0.000 0.000 0.218 511 A C 2.343 179.942 177.584 0.024 0.000 1.175 511 A CA 1.890 53.944 52.037 0.029 0.000 0.628 511 A CB -1.345 17.671 19.000 0.027 0.000 0.814 511 A HN 0.632 nan 8.150 nan 0.000 0.444 512 G N -0.163 108.651 108.800 0.022 0.000 2.418 512 G HA2 -0.159 3.801 3.960 0.000 0.000 0.217 512 G HA3 -0.159 3.801 3.960 0.000 0.000 0.217 512 G C 1.544 176.456 174.900 0.020 0.000 1.158 512 G CA 1.037 46.147 45.100 0.018 0.000 0.771 512 G HN 0.439 nan 8.290 nan 0.000 0.545 513 L N -0.362 120.875 121.223 0.023 0.000 2.093 513 L HA 0.008 4.348 4.340 0.000 0.000 0.208 513 L C 3.064 179.948 176.870 0.024 0.000 1.085 513 L CA 0.865 55.719 54.840 0.024 0.000 0.755 513 L CB -0.286 41.789 42.059 0.027 0.000 0.904 513 L HN 0.225 nan 8.230 nan 0.000 0.435 514 M N -0.680 118.935 119.600 0.025 0.000 2.156 514 M HA -0.164 4.316 4.480 0.000 0.000 0.264 514 M C 2.286 178.600 176.300 0.023 0.000 1.067 514 M CA 1.703 57.018 55.300 0.025 0.000 1.131 514 M CB -0.188 32.428 32.600 0.026 0.000 1.368 514 M HN 0.172 nan 8.290 nan 0.000 0.416 515 I N 0.009 120.591 120.570 0.021 0.000 2.361 515 I HA -0.234 3.936 4.170 0.000 0.000 0.251 515 I C 1.816 177.945 176.117 0.019 0.000 1.133 515 I CA 1.444 62.755 61.300 0.019 0.000 1.413 515 I CB -0.322 37.688 38.000 0.016 0.000 1.073 515 I HN 0.379 nan 8.210 nan 0.000 0.424 516 T N -3.344 111.223 114.554 0.020 0.000 3.223 516 T HA 0.161 4.511 4.350 0.000 0.000 0.259 516 T C 0.501 175.216 174.700 0.025 0.000 1.015 516 T CA -0.308 61.805 62.100 0.021 0.000 0.908 516 T CB -0.458 68.421 68.868 0.019 0.000 1.054 516 T HN -0.058 nan 8.240 nan 0.000 0.567 517 T N 2.308 116.877 114.554 0.026 0.000 2.767 517 T HA 0.316 4.666 4.350 0.000 0.000 0.288 517 T C 0.597 175.318 174.700 0.034 0.000 0.963 517 T CA -0.543 61.574 62.100 0.028 0.000 1.019 517 T CB 1.588 70.471 68.868 0.026 0.000 0.923 517 T HN 0.114 nan 8.240 nan 0.000 0.468 518 E N 0.628 120.854 120.200 0.044 0.000 2.447 518 E HA 0.167 4.517 4.350 0.000 0.000 0.204 518 E C 0.156 176.802 176.600 0.077 0.000 0.977 518 E CA 0.131 56.574 56.400 0.071 0.000 0.950 518 E CB 0.723 30.478 29.700 0.091 0.000 0.975 518 E HN 0.558 nan 8.360 nan 0.000 0.496 519 C N 0.470 119.780 119.300 0.017 0.000 2.888 519 C HA 0.681 5.141 4.460 0.000 0.000 0.308 519 C C -1.369 173.572 174.990 -0.082 0.000 1.213 519 C CA -0.578 58.380 59.018 -0.099 0.000 1.461 519 C CB 0.634 28.323 27.740 -0.084 0.000 1.934 519 C HN 0.128 nan 8.230 nan 0.000 0.474 520 M N 4.973 124.503 119.600 -0.116 0.000 2.267 520 M HA 0.524 5.004 4.480 0.000 0.000 0.289 520 M C -1.203 175.144 176.300 0.079 0.000 1.043 520 M CA -0.490 54.837 55.300 0.047 0.000 0.928 520 M CB 2.077 34.815 32.600 0.230 0.000 1.613 520 M HN 0.365 nan 8.290 nan 0.000 0.450 521 V N 1.555 121.478 119.914 0.014 0.000 2.448 521 V HA 0.758 4.878 4.120 0.000 0.000 0.295 521 V C -0.211 175.821 176.094 -0.103 0.000 1.025 521 V CA -0.383 61.904 62.300 -0.022 0.000 0.859 521 V CB 1.826 33.629 31.823 -0.034 0.000 0.988 521 V HN 0.945 nan 8.190 nan 0.000 0.431 522 T N 2.091 116.533 114.554 -0.186 0.000 2.812 522 T HA 0.357 4.707 4.350 0.000 0.000 0.294 522 T C -1.131 173.455 174.700 -0.190 0.000 1.159 522 T CA -0.600 61.335 62.100 -0.275 0.000 1.008 522 T CB 1.945 70.477 68.868 -0.561 0.000 1.289 522 T HN 0.676 nan 8.240 nan 0.000 0.514 523 D N 1.234 121.535 120.400 -0.165 0.000 2.360 523 D HA 0.248 4.888 4.640 0.000 0.000 0.242 523 D C -0.221 176.022 176.300 -0.096 0.000 1.184 523 D CA -0.255 53.683 54.000 -0.102 0.000 0.930 523 D CB 0.804 41.556 40.800 -0.080 0.000 1.161 523 D HN 0.193 nan 8.370 nan 0.000 0.447 524 L N 2.732 123.927 121.223 -0.047 0.000 2.380 524 L HA 0.215 4.555 4.340 0.000 0.000 0.273 524 L C -1.396 175.460 176.870 -0.022 0.000 1.138 524 L CA -1.084 53.744 54.840 -0.020 0.000 0.832 524 L CB -0.080 41.979 42.059 -0.000 0.000 1.124 524 L HN 0.280 nan 8.230 nan 0.000 0.454 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.095 63.100 -0.008 0.000 0.800 525 P CB 0.000 31.708 31.700 0.013 0.000 0.726