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 1pcq_1_C 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 0.000 177.574 177.584 -0.017 0.000 1.274 2 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 2 A CB 0.000 18.985 19.000 -0.026 0.000 0.831 3 A N 1.911 124.723 122.820 -0.014 0.000 2.565 3 A HA 0.499 4.819 4.320 -0.000 0.000 0.237 3 A C 0.258 177.830 177.584 -0.019 0.000 1.053 3 A CA 0.435 52.466 52.037 -0.010 0.000 0.755 3 A CB -0.111 18.886 19.000 -0.005 0.000 0.980 3 A HN 0.599 nan 8.150 nan 0.000 0.506 4 K N 1.800 122.192 120.400 -0.014 0.000 2.156 4 K HA 0.382 4.702 4.320 -0.000 0.000 0.250 4 K C -0.995 175.599 176.600 -0.010 0.000 0.955 4 K CA -0.721 55.550 56.287 -0.026 0.000 0.855 4 K CB 1.456 33.942 32.500 -0.022 0.000 1.101 4 K HN 0.724 nan 8.250 nan 0.000 0.434 5 D N 1.551 121.936 120.400 -0.025 0.000 2.193 5 D HA 0.289 4.929 4.640 -0.000 0.000 0.244 5 D C -1.153 175.221 176.300 0.123 0.000 1.064 5 D CA -0.501 53.529 54.000 0.050 0.000 0.845 5 D CB 1.324 42.137 40.800 0.022 0.000 1.148 5 D HN 0.253 nan 8.370 nan 0.000 0.464 6 V N 1.169 121.151 119.914 0.114 0.000 2.588 6 V HA 0.655 4.775 4.120 -0.000 0.000 0.304 6 V C -0.914 175.092 176.094 -0.146 0.000 1.042 6 V CA -0.651 61.638 62.300 -0.019 0.000 0.877 6 V CB 1.765 33.496 31.823 -0.154 0.000 0.996 6 V HN 0.373 nan 8.190 nan 0.000 0.425 7 K N 4.496 124.697 120.400 -0.331 0.000 2.316 7 K HA 0.666 4.986 4.320 -0.000 0.000 0.251 7 K C -1.735 174.534 176.600 -0.552 0.000 0.934 7 K CA -0.444 55.584 56.287 -0.432 0.000 0.802 7 K CB 2.506 34.578 32.500 -0.714 0.000 1.171 7 K HN 0.728 nan 8.250 nan 0.000 0.426 8 F N 0.189 120.079 119.950 -0.100 0.000 2.522 8 F HA 0.378 4.905 4.527 -0.000 0.000 0.324 8 F C 1.240 176.997 175.800 -0.072 0.000 1.077 8 F CA 0.280 58.241 58.000 -0.064 0.000 0.944 8 F CB 1.906 40.884 39.000 -0.037 0.000 1.175 8 F HN 0.867 nan 8.300 nan 0.000 0.468 9 G N 2.535 111.433 108.800 0.162 0.000 2.591 9 G HA2 -0.499 3.461 3.960 -0.000 0.000 0.298 9 G HA3 -0.499 3.461 3.960 -0.000 0.000 0.298 9 G C 0.995 175.908 174.900 0.022 0.000 1.195 9 G CA 0.999 46.149 45.100 0.085 0.000 0.989 9 G HN 0.799 nan 8.290 nan 0.000 0.551 10 N N 0.903 119.611 118.700 0.013 0.000 2.069 10 N HA -0.079 4.661 4.740 -0.000 0.000 0.191 10 N C 1.764 177.251 175.510 -0.038 0.000 1.031 10 N CA 2.533 55.577 53.050 -0.010 0.000 0.852 10 N CB -0.324 38.159 38.487 -0.006 0.000 1.018 10 N HN 0.527 nan 8.380 nan 0.000 0.423 11 D N 0.032 120.403 120.400 -0.049 0.000 2.104 11 D HA -0.124 4.516 4.640 -0.000 0.000 0.194 11 D C 1.892 178.082 176.300 -0.183 0.000 0.994 11 D CA 1.566 55.504 54.000 -0.103 0.000 0.830 11 D CB -0.825 39.909 40.800 -0.110 0.000 0.959 11 D HN 0.446 nan 8.370 nan 0.000 0.452 12 A N 0.696 123.393 122.820 -0.206 0.000 1.917 12 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 12 A C 2.197 179.683 177.584 -0.163 0.000 1.182 12 A CA 1.628 53.494 52.037 -0.286 0.000 0.633 12 A CB -0.434 18.434 19.000 -0.220 0.000 0.819 12 A HN 0.117 nan 8.150 nan 0.000 0.448 13 R N -0.988 119.458 120.500 -0.089 0.000 2.057 13 R HA -0.024 4.316 4.340 -0.000 0.000 0.229 13 R C 2.144 178.422 176.300 -0.037 0.000 1.136 13 R CA 1.280 57.353 56.100 -0.045 0.000 0.952 13 R CB -0.577 29.710 30.300 -0.022 0.000 0.848 13 R HN 0.371 nan 8.270 nan 0.000 0.430 14 V N 2.260 122.149 119.914 -0.042 0.000 2.250 14 V HA -0.350 3.770 4.120 -0.000 0.000 0.250 14 V C 2.288 178.366 176.094 -0.027 0.000 1.060 14 V CA 1.842 64.124 62.300 -0.030 0.000 1.030 14 V CB -0.475 31.329 31.823 -0.031 0.000 0.643 14 V HN 0.305 nan 8.190 nan 0.000 0.445 15 K N -0.530 119.839 120.400 -0.052 0.000 2.032 15 K HA -0.203 4.117 4.320 -0.000 0.000 0.209 15 K C 2.130 178.742 176.600 0.019 0.000 1.048 15 K CA 1.929 58.206 56.287 -0.017 0.000 0.927 15 K CB -0.665 31.807 32.500 -0.046 0.000 0.712 15 K HN 0.461 nan 8.250 nan 0.000 0.441 16 M N 0.759 120.362 119.600 0.006 0.000 2.202 16 M HA -0.182 4.298 4.480 -0.000 0.000 0.262 16 M C 2.091 178.405 176.300 0.023 0.000 1.063 16 M CA 1.236 56.554 55.300 0.029 0.000 1.097 16 M CB -0.025 32.586 32.600 0.018 0.000 1.382 16 M HN 0.095 nan 8.290 nan 0.000 0.413 17 L N 0.277 121.506 121.223 0.011 0.000 2.068 17 L HA -0.100 4.240 4.340 -0.000 0.000 0.204 17 L C 2.261 179.139 176.870 0.014 0.000 1.076 17 L CA 1.715 56.561 54.840 0.011 0.000 0.753 17 L CB -0.655 41.407 42.059 0.005 0.000 0.910 17 L HN 0.184 nan 8.230 nan 0.000 0.439 18 R N -0.225 120.283 120.500 0.014 0.000 2.133 18 R HA -0.182 4.158 4.340 -0.000 0.000 0.247 18 R C 2.112 178.425 176.300 0.022 0.000 1.151 18 R CA 1.276 57.386 56.100 0.017 0.000 0.971 18 R CB -1.044 29.268 30.300 0.019 0.000 0.866 18 R HN 0.636 nan 8.270 nan 0.000 0.447 19 G N 0.565 109.382 108.800 0.029 0.000 2.484 19 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.215 19 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.215 19 G C 1.479 176.392 174.900 0.021 0.000 1.219 19 G CA 1.023 46.141 45.100 0.029 0.000 0.791 19 G HN 0.142 nan 8.290 nan 0.000 0.550 20 V N 1.707 121.633 119.914 0.021 0.000 2.250 20 V HA -0.356 3.764 4.120 -0.000 0.000 0.250 20 V C 2.512 178.615 176.094 0.014 0.000 1.060 20 V CA 2.432 64.742 62.300 0.017 0.000 1.030 20 V CB -1.110 30.723 31.823 0.017 0.000 0.643 20 V HN 0.479 nan 8.190 nan 0.000 0.445 21 N N -0.060 118.649 118.700 0.013 0.000 2.036 21 N HA -0.191 4.549 4.740 -0.000 0.000 0.195 21 N C 1.762 177.279 175.510 0.011 0.000 1.037 21 N CA 1.613 54.669 53.050 0.011 0.000 0.855 21 N CB -0.369 38.124 38.487 0.010 0.000 1.033 21 N HN 0.330 nan 8.380 nan 0.000 0.423 22 V N 1.673 121.594 119.914 0.011 0.000 2.252 22 V HA -0.225 3.895 4.120 -0.000 0.000 0.249 22 V C 2.232 178.331 176.094 0.009 0.000 1.056 22 V CA 1.406 63.712 62.300 0.010 0.000 1.022 22 V CB -0.687 31.142 31.823 0.011 0.000 0.641 22 V HN 0.370 nan 8.190 nan 0.000 0.445 23 L N 0.979 122.208 121.223 0.010 0.000 1.955 23 L HA -0.127 4.213 4.340 -0.000 0.000 0.213 23 L C 2.568 179.443 176.870 0.009 0.000 1.072 23 L CA 2.846 57.691 54.840 0.009 0.000 0.755 23 L CB -1.809 40.256 42.059 0.009 0.000 0.888 23 L HN 0.291 nan 8.230 nan 0.000 0.432 24 A N 0.020 122.846 122.820 0.010 0.000 1.881 24 A HA -0.309 4.011 4.320 -0.000 0.000 0.219 24 A C 1.934 179.523 177.584 0.009 0.000 1.215 24 A CA 2.333 54.376 52.037 0.011 0.000 0.648 24 A CB -1.175 17.832 19.000 0.012 0.000 0.832 24 A HN 0.632 nan 8.150 nan 0.000 0.455 25 D N -0.154 120.250 120.400 0.008 0.000 2.149 25 D HA -0.074 4.566 4.640 -0.000 0.000 0.198 25 D C 2.088 178.392 176.300 0.005 0.000 0.990 25 D CA 1.575 55.579 54.000 0.006 0.000 0.839 25 D CB -0.480 40.324 40.800 0.006 0.000 0.948 25 D HN 0.504 nan 8.370 nan 0.000 0.460 26 A N 0.256 123.079 122.820 0.005 0.000 1.968 26 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 26 A C 2.427 180.013 177.584 0.004 0.000 1.169 26 A CA 0.778 52.817 52.037 0.003 0.000 0.638 26 A CB -0.265 18.737 19.000 0.003 0.000 0.812 26 A HN 0.159 nan 8.150 nan 0.000 0.446 27 V N -0.253 119.664 119.914 0.005 0.000 2.446 27 V HA -0.148 3.972 4.120 -0.000 0.000 0.244 27 V C 2.250 178.348 176.094 0.006 0.000 1.039 27 V CA 1.737 64.040 62.300 0.006 0.000 1.045 27 V CB -0.572 31.256 31.823 0.007 0.000 0.681 27 V HN 0.480 nan 8.190 nan 0.000 0.459 28 K N 0.570 120.975 120.400 0.008 0.000 2.144 28 K HA -0.235 4.085 4.320 -0.000 0.000 0.209 28 K C 1.972 178.576 176.600 0.007 0.000 1.047 28 K CA 2.005 58.297 56.287 0.008 0.000 0.927 28 K CB -0.512 31.993 32.500 0.008 0.000 0.716 28 K HN 0.588 nan 8.250 nan 0.000 0.454 29 V N -1.101 118.816 119.914 0.005 0.000 3.078 29 V HA -0.116 4.004 4.120 -0.000 0.000 0.265 29 V C 1.790 177.886 176.094 0.004 0.000 1.122 29 V CA 1.938 64.240 62.300 0.004 0.000 1.141 29 V CB -0.890 30.934 31.823 0.002 0.000 0.735 29 V HN 0.356 nan 8.190 nan 0.000 0.498 30 T N -2.431 112.126 114.554 0.004 0.000 3.069 30 T HA 0.333 4.683 4.350 -0.000 0.000 0.252 30 T C 0.398 175.101 174.700 0.005 0.000 1.053 30 T CA -0.187 61.914 62.100 0.003 0.000 0.964 30 T CB -0.033 68.836 68.868 0.002 0.000 1.005 30 T HN 0.362 nan 8.240 nan 0.000 0.532 31 L N 2.692 123.920 121.223 0.008 0.000 2.360 31 L HA 0.591 4.931 4.340 -0.000 0.000 0.276 31 L C 0.677 177.553 176.870 0.011 0.000 1.121 31 L CA 1.464 56.310 54.840 0.010 0.000 0.845 31 L CB -0.392 41.675 42.059 0.013 0.000 1.143 31 L HN 0.658 nan 8.230 nan 0.000 0.452 32 G N 4.500 113.306 108.800 0.010 0.000 2.712 32 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.683 32 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.683 32 G C -2.140 172.762 174.900 0.003 0.000 1.320 32 G CA -0.332 44.773 45.100 0.010 0.000 0.847 32 G HN 0.553 nan 8.290 nan 0.000 0.553 33 P HA -0.038 nan 4.420 nan 0.000 0.218 33 P C 0.979 178.275 177.300 -0.007 0.000 1.149 33 P CA 1.406 64.500 63.100 -0.010 0.000 0.817 33 P CB 0.062 31.748 31.700 -0.023 0.000 0.785 34 K N 0.369 120.769 120.400 -0.000 0.000 2.577 34 K HA 0.241 4.561 4.320 -0.000 0.000 0.210 34 K C 1.032 177.634 176.600 0.004 0.000 1.048 34 K CA -0.272 56.016 56.287 0.002 0.000 1.188 34 K CB 0.129 32.633 32.500 0.007 0.000 0.910 34 K HN 0.067 nan 8.250 nan 0.000 0.483 35 G N 1.391 110.192 108.800 0.003 0.000 2.441 35 G HA2 0.082 4.042 3.960 -0.000 0.000 0.243 35 G HA3 0.082 4.042 3.960 -0.000 0.000 0.243 35 G C -0.055 174.845 174.900 0.001 0.000 1.281 35 G CA -0.351 44.751 45.100 0.003 0.000 0.854 35 G HN 0.220 nan 8.290 nan 0.000 0.560 36 R N 0.970 121.470 120.500 0.001 0.000 2.705 36 R HA 0.339 4.679 4.340 -0.000 0.000 0.246 36 R C -0.312 175.987 176.300 -0.002 0.000 1.142 36 R CA -0.964 55.136 56.100 -0.001 0.000 1.114 36 R CB 0.748 31.048 30.300 -0.001 0.000 1.256 36 R HN 0.465 nan 8.270 nan 0.000 0.536 37 N N -0.261 118.437 118.700 -0.003 0.000 2.477 37 N HA 0.353 5.093 4.740 -0.000 0.000 0.284 37 N C -0.910 174.597 175.510 -0.004 0.000 1.182 37 N CA -0.460 52.588 53.050 -0.003 0.000 0.949 37 N CB 1.741 40.225 38.487 -0.004 0.000 1.204 37 N HN 0.122 nan 8.380 nan 0.000 0.526 38 V N 0.863 120.775 119.914 -0.004 0.000 2.628 38 V HA 0.404 4.524 4.120 -0.000 0.000 0.306 38 V C -0.071 176.019 176.094 -0.008 0.000 1.045 38 V CA -0.853 61.444 62.300 -0.006 0.000 0.905 38 V CB 2.036 33.856 31.823 -0.004 0.000 0.997 38 V HN 0.291 nan 8.190 nan 0.000 0.436 39 V N 5.671 125.578 119.914 -0.011 0.000 2.370 39 V HA 0.457 4.577 4.120 -0.000 0.000 0.279 39 V C -0.270 175.812 176.094 -0.020 0.000 1.029 39 V CA -0.414 61.876 62.300 -0.016 0.000 0.870 39 V CB 1.279 33.090 31.823 -0.020 0.000 0.984 39 V HN 0.618 nan 8.190 nan 0.000 0.451 40 L N 3.872 125.081 121.223 -0.022 0.000 2.295 40 L HA 0.490 4.830 4.340 -0.000 0.000 0.281 40 L C 0.067 176.903 176.870 -0.056 0.000 1.018 40 L CA -0.565 54.259 54.840 -0.027 0.000 0.841 40 L CB 1.316 43.371 42.059 -0.008 0.000 1.218 40 L HN 0.512 nan 8.230 nan 0.000 0.424 41 D N 3.418 123.770 120.400 -0.079 0.000 2.390 41 D HA 0.143 4.783 4.640 -0.000 0.000 0.236 41 D C -0.369 175.782 176.300 -0.249 0.000 1.189 41 D CA 0.601 54.516 54.000 -0.142 0.000 0.887 41 D CB 0.741 41.462 40.800 -0.132 0.000 1.198 41 D HN 0.382 nan 8.370 nan 0.000 0.444 42 K N 0.730 120.868 120.400 -0.438 0.000 2.664 42 K HA 0.107 4.427 4.320 -0.000 0.000 0.298 42 K C 0.829 176.782 176.600 -1.077 0.000 1.152 42 K CA -0.251 55.428 56.287 -1.014 0.000 1.038 42 K CB 0.892 33.074 32.500 -0.530 0.000 1.342 42 K HN 0.334 nan 8.250 nan 0.000 0.496 43 S N 2.539 117.550 115.700 -1.148 0.000 2.377 43 S HA -0.272 4.198 4.470 -0.000 0.000 0.224 43 S C 1.573 176.015 174.600 -0.264 0.000 1.042 43 S CA 1.783 59.705 58.200 -0.464 0.000 1.086 43 S CB -0.783 62.324 63.200 -0.155 0.000 0.995 43 S HN 0.518 nan 8.310 nan 0.000 0.428 44 F N 2.633 122.579 119.950 -0.008 0.000 2.442 44 F HA -0.185 4.342 4.527 -0.000 0.000 0.279 44 F C 1.911 177.707 175.800 -0.007 0.000 1.191 44 F CA 0.734 58.729 58.000 -0.008 0.000 1.443 44 F CB -1.981 37.014 39.000 -0.008 0.000 0.833 44 F HN 0.574 nan 8.300 nan 0.000 0.539 45 G N -1.446 107.423 108.800 0.116 0.000 3.122 45 G HA2 0.669 4.629 3.960 -0.000 0.000 0.180 45 G HA3 0.669 4.629 3.960 -0.000 0.000 0.180 45 G C -0.813 174.072 174.900 -0.025 0.000 1.279 45 G CA -0.360 44.769 45.100 0.048 0.000 0.987 45 G HN 0.646 nan 8.290 nan 0.000 0.589 46 A N 0.023 122.835 122.820 -0.013 0.000 2.366 46 A HA 0.651 4.971 4.320 -0.000 0.000 0.249 46 A C -1.918 175.638 177.584 -0.048 0.000 1.084 46 A CA -0.659 51.359 52.037 -0.032 0.000 0.794 46 A CB -0.388 18.603 19.000 -0.016 0.000 1.034 46 A HN 0.405 nan 8.150 nan 0.000 0.491 47 P HA 0.152 nan 4.420 nan 0.000 0.271 47 P C -0.187 177.094 177.300 -0.031 0.000 1.233 47 P CA 0.284 63.348 63.100 -0.060 0.000 0.795 47 P CB 0.343 32.011 31.700 -0.054 0.000 0.936 48 T N 1.118 115.658 114.554 -0.024 0.000 2.807 48 T HA 0.555 4.905 4.350 -0.000 0.000 0.279 48 T C -0.109 174.586 174.700 -0.009 0.000 0.993 48 T CA -0.277 61.818 62.100 -0.007 0.000 0.970 48 T CB 0.170 69.041 68.868 0.006 0.000 0.950 48 T HN 0.095 nan 8.240 nan 0.000 0.441 49 I N 2.586 123.152 120.570 -0.006 0.000 2.359 49 I HA 0.578 4.748 4.170 -0.000 0.000 0.294 49 I C 0.497 176.612 176.117 -0.003 0.000 0.987 49 I CA -0.183 61.113 61.300 -0.006 0.000 1.225 49 I CB 1.913 39.909 38.000 -0.007 0.000 1.366 49 I HN 0.453 nan 8.210 nan 0.000 0.466 50 T N 4.135 118.687 114.554 -0.004 0.000 3.012 50 T HA 0.266 4.616 4.350 -0.000 0.000 0.330 50 T C 0.139 174.837 174.700 -0.003 0.000 1.321 50 T CA -0.615 61.483 62.100 -0.003 0.000 1.067 50 T CB 1.479 70.346 68.868 -0.001 0.000 1.235 50 T HN 0.708 nan 8.240 nan 0.000 0.479 51 K N 1.587 121.984 120.400 -0.004 0.000 2.361 51 K HA 0.169 4.489 4.320 -0.000 0.000 0.194 51 K C 0.055 176.652 176.600 -0.004 0.000 1.032 51 K CA -0.013 56.272 56.287 -0.004 0.000 1.048 51 K CB 0.297 32.795 32.500 -0.003 0.000 0.842 51 K HN 0.492 nan 8.250 nan 0.000 0.526 52 D N -0.019 120.377 120.400 -0.007 0.000 2.344 52 D HA 0.059 4.699 4.640 -0.000 0.000 0.253 52 D C 1.112 177.407 176.300 -0.009 0.000 1.255 52 D CA 0.092 54.085 54.000 -0.011 0.000 0.894 52 D CB 1.131 41.920 40.800 -0.018 0.000 1.067 52 D HN 0.251 nan 8.370 nan 0.000 0.492 53 G N 2.793 111.589 108.800 -0.006 0.000 2.505 53 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.220 53 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.220 53 G C 1.523 176.421 174.900 -0.003 0.000 1.145 53 G CA 0.835 45.934 45.100 -0.002 0.000 0.761 53 G HN 0.504 nan 8.290 nan 0.000 0.571 54 V N 0.389 120.298 119.914 -0.009 0.000 2.515 54 V HA -0.124 3.996 4.120 -0.000 0.000 0.250 54 V C 2.894 178.983 176.094 -0.008 0.000 1.058 54 V CA 2.752 65.045 62.300 -0.011 0.000 1.064 54 V CB -0.310 31.500 31.823 -0.020 0.000 0.675 54 V HN 0.341 nan 8.190 nan 0.000 0.461 55 S N -0.369 115.326 115.700 -0.008 0.000 2.368 55 S HA -0.152 4.318 4.470 -0.000 0.000 0.225 55 S C 1.865 176.467 174.600 0.004 0.000 1.030 55 S CA 1.612 59.811 58.200 -0.001 0.000 0.999 55 S CB -0.158 63.041 63.200 -0.001 0.000 0.844 55 S HN 0.516 nan 8.310 nan 0.000 0.459 56 V N 2.156 122.071 119.914 0.002 0.000 2.287 56 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 56 V C 2.639 178.735 176.094 0.004 0.000 1.053 56 V CA 1.797 64.099 62.300 0.003 0.000 1.027 56 V CB -1.332 30.492 31.823 0.002 0.000 0.646 56 V HN 0.535 nan 8.190 nan 0.000 0.447 57 A N 0.433 123.254 122.820 0.002 0.000 1.859 57 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 57 A C 2.280 179.866 177.584 0.002 0.000 1.198 57 A CA 2.055 54.093 52.037 0.002 0.000 0.629 57 A CB -0.656 18.344 19.000 -0.001 0.000 0.830 57 A HN 0.523 nan 8.150 nan 0.000 0.446 58 R N -0.281 120.220 120.500 0.001 0.000 2.316 58 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 58 R C 1.093 177.401 176.300 0.013 0.000 1.137 58 R CA 1.195 57.297 56.100 0.004 0.000 1.012 58 R CB -0.213 30.089 30.300 0.003 0.000 0.859 58 R HN 0.585 nan 8.270 nan 0.000 0.474 59 E N 0.130 120.339 120.200 0.015 0.000 2.431 59 E HA 0.089 4.439 4.350 -0.000 0.000 0.200 59 E C 0.477 177.086 176.600 0.015 0.000 0.995 59 E CA 0.066 56.480 56.400 0.022 0.000 0.915 59 E CB 0.458 30.172 29.700 0.023 0.000 0.930 59 E HN 0.136 nan 8.360 nan 0.000 0.496 60 I N 2.145 122.721 120.570 0.010 0.000 2.471 60 I HA 0.153 4.323 4.170 -0.000 0.000 0.286 60 I C 0.324 176.445 176.117 0.006 0.000 1.079 60 I CA 0.323 61.628 61.300 0.007 0.000 1.398 60 I CB 0.337 38.341 38.000 0.006 0.000 1.403 60 I HN -0.034 nan 8.210 nan 0.000 0.530 61 E N 6.140 126.344 120.200 0.006 0.000 2.291 61 E HA 0.445 4.795 4.350 -0.000 0.000 0.276 61 E C -1.838 174.762 176.600 0.001 0.000 0.896 61 E CA -0.645 55.757 56.400 0.003 0.000 0.774 61 E CB 1.895 31.597 29.700 0.003 0.000 1.227 61 E HN 0.246 nan 8.360 nan 0.000 0.413 62 L N 2.942 124.165 121.223 -0.000 0.000 2.331 62 L HA 0.375 4.715 4.340 -0.000 0.000 0.268 62 L C 1.352 178.219 176.870 -0.005 0.000 1.015 62 L CA 0.003 54.844 54.840 0.002 0.000 0.807 62 L CB 1.223 43.288 42.059 0.010 0.000 1.293 62 L HN 0.817 nan 8.230 nan 0.000 0.451 63 E N -0.341 119.858 120.200 -0.002 0.000 2.102 63 E HA -0.087 4.263 4.350 -0.000 0.000 0.190 63 E C -0.037 176.555 176.600 -0.014 0.000 0.971 63 E CA 0.040 56.435 56.400 -0.009 0.000 0.821 63 E CB 0.342 30.039 29.700 -0.004 0.000 0.777 63 E HN 0.656 nan 8.360 nan 0.000 0.460 64 D N 1.262 121.664 120.400 0.004 0.000 2.434 64 D HA -0.069 4.571 4.640 -0.000 0.000 0.252 64 D C 0.737 177.030 176.300 -0.011 0.000 1.185 64 D CA 0.185 54.195 54.000 0.017 0.000 0.886 64 D CB 0.962 41.800 40.800 0.062 0.000 1.148 64 D HN -0.033 nan 8.370 nan 0.000 0.483 65 K N 3.442 123.780 120.400 -0.104 0.000 2.211 65 K HA -0.117 4.203 4.320 -0.000 0.000 0.203 65 K C 1.710 178.178 176.600 -0.220 0.000 1.050 65 K CA 0.824 56.983 56.287 -0.214 0.000 0.945 65 K CB -0.099 32.184 32.500 -0.362 0.000 0.732 65 K HN 0.480 nan 8.250 nan 0.000 0.451 66 F N 1.631 121.568 119.950 -0.021 0.000 2.118 66 F HA -0.046 4.481 4.527 -0.000 0.000 0.293 66 F C 2.338 178.128 175.800 -0.018 0.000 1.102 66 F CA 0.951 58.936 58.000 -0.024 0.000 1.247 66 F CB -0.582 38.402 39.000 -0.026 0.000 1.017 66 F HN 0.057 nan 8.300 nan 0.000 0.475 67 E N 0.101 120.413 120.200 0.186 0.000 2.070 67 E HA -0.307 4.043 4.350 -0.000 0.000 0.197 67 E C 1.908 178.543 176.600 0.058 0.000 1.004 67 E CA 1.527 57.985 56.400 0.096 0.000 0.805 67 E CB -0.460 29.282 29.700 0.070 0.000 0.744 67 E HN 0.277 nan 8.360 nan 0.000 0.451 68 N N 0.614 119.334 118.700 0.034 0.000 2.091 68 N HA -0.212 4.528 4.740 -0.000 0.000 0.193 68 N C 1.720 177.238 175.510 0.014 0.000 1.021 68 N CA 1.551 54.606 53.050 0.010 0.000 0.862 68 N CB -0.080 38.396 38.487 -0.018 0.000 1.018 68 N HN 0.110 nan 8.380 nan 0.000 0.429 69 M N -0.686 118.930 119.600 0.026 0.000 2.086 69 M HA -0.040 4.440 4.480 -0.000 0.000 0.261 69 M C 2.116 178.436 176.300 0.035 0.000 1.067 69 M CA 1.627 56.944 55.300 0.029 0.000 1.116 69 M CB -0.671 31.961 32.600 0.054 0.000 1.348 69 M HN 0.331 nan 8.290 nan 0.000 0.407 70 G N 0.137 108.967 108.800 0.049 0.000 2.672 70 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.218 70 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.218 70 G C 1.521 176.436 174.900 0.024 0.000 1.238 70 G CA 1.492 46.614 45.100 0.036 0.000 0.791 70 G HN 0.578 nan 8.290 nan 0.000 0.606 71 A N -0.758 122.075 122.820 0.022 0.000 1.940 71 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 71 A C 2.364 179.954 177.584 0.009 0.000 1.176 71 A CA 2.152 54.198 52.037 0.014 0.000 0.631 71 A CB -0.375 18.633 19.000 0.013 0.000 0.814 71 A HN 0.379 nan 8.150 nan 0.000 0.446 72 Q N -1.221 118.584 119.800 0.007 0.000 2.369 72 Q HA 0.014 4.354 4.340 -0.000 0.000 0.206 72 Q C 1.939 177.939 176.000 0.000 0.000 0.963 72 Q CA 0.990 56.794 55.803 0.001 0.000 0.894 72 Q CB -0.198 28.538 28.738 -0.003 0.000 0.965 72 Q HN 0.795 nan 8.270 nan 0.000 0.475 73 M N -0.709 118.895 119.600 0.006 0.000 2.257 73 M HA -0.099 4.381 4.480 -0.000 0.000 0.260 73 M C 2.138 178.442 176.300 0.007 0.000 1.102 73 M CA 0.803 56.107 55.300 0.007 0.000 1.169 73 M CB 0.017 32.624 32.600 0.013 0.000 1.323 73 M HN 0.002 nan 8.290 nan 0.000 0.447 74 V N -0.143 119.777 119.914 0.011 0.000 2.453 74 V HA -0.291 3.829 4.120 -0.000 0.000 0.252 74 V C 2.058 178.156 176.094 0.006 0.000 1.068 74 V CA 2.043 64.351 62.300 0.013 0.000 1.070 74 V CB -1.490 30.342 31.823 0.016 0.000 0.664 74 V HN 0.530 nan 8.190 nan 0.000 0.461 75 K N 0.623 121.023 120.400 0.001 0.000 2.362 75 K HA -0.273 4.047 4.320 -0.000 0.000 0.202 75 K C 2.117 178.707 176.600 -0.017 0.000 1.045 75 K CA 1.934 58.217 56.287 -0.006 0.000 0.936 75 K CB -0.134 32.363 32.500 -0.006 0.000 0.747 75 K HN 0.706 nan 8.250 nan 0.000 0.467 76 E N 0.219 120.407 120.200 -0.020 0.000 2.230 76 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 76 E C 1.887 178.450 176.600 -0.061 0.000 0.987 76 E CA 0.617 56.992 56.400 -0.042 0.000 0.841 76 E CB 0.211 29.889 29.700 -0.037 0.000 0.783 76 E HN 0.290 nan 8.360 nan 0.000 0.481 77 V N 0.373 120.274 119.914 -0.021 0.000 2.237 77 V HA -0.191 3.929 4.120 -0.000 0.000 0.245 77 V C 2.242 178.328 176.094 -0.013 0.000 1.046 77 V CA 2.171 64.473 62.300 0.003 0.000 1.007 77 V CB -0.718 31.141 31.823 0.060 0.000 0.638 77 V HN 0.268 nan 8.190 nan 0.000 0.445 78 A N -0.328 122.490 122.820 -0.003 0.000 1.978 78 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 78 A C 2.596 180.162 177.584 -0.030 0.000 1.170 78 A CA 2.609 54.644 52.037 -0.003 0.000 0.636 78 A CB -1.123 17.877 19.000 -0.000 0.000 0.810 78 A HN 0.758 nan 8.150 nan 0.000 0.448 79 S N -1.162 114.507 115.700 -0.053 0.000 2.371 79 S HA -0.111 4.359 4.470 -0.000 0.000 0.224 79 S C 2.201 176.731 174.600 -0.116 0.000 1.029 79 S CA 1.400 59.559 58.200 -0.068 0.000 0.978 79 S CB -0.251 62.912 63.200 -0.062 0.000 0.833 79 S HN 0.434 nan 8.310 nan 0.000 0.466 80 K N 1.401 121.675 120.400 -0.210 0.000 2.025 80 K HA 0.081 4.401 4.320 -0.000 0.000 0.207 80 K C 2.336 178.707 176.600 -0.382 0.000 1.049 80 K CA 1.239 57.273 56.287 -0.422 0.000 0.933 80 K CB -1.073 30.951 32.500 -0.794 0.000 0.714 80 K HN 0.386 nan 8.250 nan 0.000 0.438 81 A N 2.207 124.917 122.820 -0.184 0.000 1.896 81 A HA -0.288 4.032 4.320 -0.000 0.000 0.220 81 A C 2.089 179.713 177.584 0.066 0.000 1.206 81 A CA 2.296 54.405 52.037 0.120 0.000 0.647 81 A CB -1.006 18.079 19.000 0.141 0.000 0.828 81 A HN 0.549 nan 8.150 nan 0.000 0.455 82 N N -0.418 118.282 118.700 0.002 0.000 2.104 82 N HA -0.189 4.551 4.740 -0.000 0.000 0.190 82 N C 0.918 176.433 175.510 0.009 0.000 1.024 82 N CA 1.743 54.789 53.050 -0.008 0.000 0.853 82 N CB -0.276 38.191 38.487 -0.033 0.000 1.008 82 N HN 0.526 nan 8.380 nan 0.000 0.424 83 D N 0.099 120.494 120.400 -0.009 0.000 2.224 83 D HA -0.034 4.606 4.640 -0.000 0.000 0.205 83 D C 1.568 177.904 176.300 0.060 0.000 0.965 83 D CA 0.640 54.648 54.000 0.013 0.000 0.852 83 D CB 0.075 40.859 40.800 -0.026 0.000 0.947 83 D HN 0.385 nan 8.370 nan 0.000 0.494 84 A N 1.151 124.021 122.820 0.084 0.000 1.884 84 A HA 0.363 4.683 4.320 -0.000 0.000 0.212 84 A C 2.209 179.880 177.584 0.144 0.000 1.265 84 A CA 1.144 53.265 52.037 0.140 0.000 0.626 84 A CB -0.583 18.573 19.000 0.260 0.000 0.943 84 A HN 0.181 nan 8.150 nan 0.000 0.466 85 A N -1.863 121.051 122.820 0.156 0.000 1.831 85 A HA 0.378 4.698 4.320 -0.000 0.000 0.213 85 A C 2.062 179.743 177.584 0.163 0.000 1.223 85 A CA 2.170 54.289 52.037 0.136 0.000 0.604 85 A CB -1.008 18.065 19.000 0.121 0.000 0.878 85 A HN 1.962 nan 8.150 nan 0.000 0.450 86 G N -2.013 106.856 108.800 0.114 0.000 2.192 86 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.193 86 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.193 86 G C -0.181 174.696 174.900 -0.038 0.000 0.999 86 G CA 0.620 45.732 45.100 0.021 0.000 0.659 86 G HN 0.857 nan 8.290 nan 0.000 0.503 87 D N -2.155 118.259 120.400 0.023 0.000 2.692 87 D HA 0.560 5.200 4.640 -0.000 0.000 0.303 87 D C 1.140 177.460 176.300 0.033 0.000 1.278 87 D CA 1.083 55.092 54.000 0.014 0.000 0.852 87 D CB 0.647 41.464 40.800 0.028 0.000 1.375 87 D HN 1.351 nan 8.370 nan 0.000 0.453 88 G N -0.382 108.435 108.800 0.028 0.000 2.179 88 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.260 88 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.260 88 G C 1.023 175.948 174.900 0.042 0.000 0.977 88 G CA 1.861 46.984 45.100 0.037 0.000 0.641 88 G HN 0.862 nan 8.290 nan 0.000 0.533 89 T N -2.423 112.150 114.554 0.031 0.000 2.759 89 T HA -0.109 4.241 4.350 -0.000 0.000 0.269 89 T C 2.195 176.910 174.700 0.025 0.000 1.042 89 T CA 2.519 64.636 62.100 0.028 0.000 1.140 89 T CB -0.625 68.248 68.868 0.008 0.000 0.864 89 T HN 0.348 nan 8.240 nan 0.000 0.455 90 T N 1.609 116.174 114.554 0.019 0.000 2.777 90 T HA -0.055 4.295 4.350 -0.000 0.000 0.266 90 T C 2.237 176.951 174.700 0.023 0.000 1.040 90 T CA 1.644 63.755 62.100 0.017 0.000 1.141 90 T CB -0.808 68.068 68.868 0.013 0.000 0.868 90 T HN 0.483 nan 8.240 nan 0.000 0.444 91 T N 2.019 116.589 114.554 0.027 0.000 2.643 91 T HA -0.045 4.305 4.350 -0.000 0.000 0.264 91 T C 2.395 177.115 174.700 0.034 0.000 1.045 91 T CA 1.294 63.411 62.100 0.028 0.000 1.155 91 T CB -0.732 68.153 68.868 0.028 0.000 0.863 91 T HN 0.407 nan 8.240 nan 0.000 0.420 92 A N 1.318 124.167 122.820 0.047 0.000 1.894 92 A HA -0.284 4.036 4.320 -0.000 0.000 0.220 92 A C 2.522 180.136 177.584 0.050 0.000 1.237 92 A CA 2.861 54.936 52.037 0.064 0.000 0.660 92 A CB -1.620 17.438 19.000 0.096 0.000 0.835 92 A HN 0.522 nan 8.150 nan 0.000 0.461 93 T N -0.492 114.085 114.554 0.039 0.000 2.720 93 T HA -0.135 4.215 4.350 -0.000 0.000 0.268 93 T C 1.844 176.560 174.700 0.026 0.000 1.037 93 T CA 1.726 63.844 62.100 0.029 0.000 1.144 93 T CB -0.510 68.371 68.868 0.021 0.000 0.864 93 T HN 0.223 nan 8.240 nan 0.000 0.444 94 V N 1.096 121.024 119.914 0.024 0.000 2.515 94 V HA -0.062 4.058 4.120 -0.000 0.000 0.250 94 V C 2.400 178.506 176.094 0.021 0.000 1.058 94 V CA 1.237 63.549 62.300 0.020 0.000 1.064 94 V CB -0.658 31.176 31.823 0.018 0.000 0.675 94 V HN 0.413 nan 8.190 nan 0.000 0.461 95 L N 0.042 121.279 121.223 0.025 0.000 2.044 95 L HA -0.078 4.262 4.340 -0.000 0.000 0.205 95 L C 2.786 179.671 176.870 0.025 0.000 1.075 95 L CA 1.463 56.317 54.840 0.024 0.000 0.747 95 L CB -0.751 41.324 42.059 0.026 0.000 0.903 95 L HN 0.334 nan 8.230 nan 0.000 0.435 96 A N 0.421 123.260 122.820 0.031 0.000 1.892 96 A HA -0.322 3.998 4.320 -0.000 0.000 0.218 96 A C 2.176 179.774 177.584 0.024 0.000 1.188 96 A CA 2.197 54.252 52.037 0.031 0.000 0.631 96 A CB -0.745 18.277 19.000 0.037 0.000 0.822 96 A HN 0.593 nan 8.150 nan 0.000 0.447 97 Q N -0.407 119.406 119.800 0.021 0.000 2.291 97 Q HA 0.107 4.447 4.340 -0.000 0.000 0.205 97 Q C 1.733 177.741 176.000 0.015 0.000 0.970 97 Q CA 1.930 57.743 55.803 0.017 0.000 0.876 97 Q CB -0.400 28.347 28.738 0.015 0.000 0.935 97 Q HN 0.506 nan 8.270 nan 0.000 0.455 98 A N 0.808 123.637 122.820 0.015 0.000 1.878 98 A HA 0.061 4.381 4.320 -0.000 0.000 0.213 98 A C 2.085 179.676 177.584 0.013 0.000 1.192 98 A CA 0.892 52.937 52.037 0.013 0.000 0.619 98 A CB -0.500 18.508 19.000 0.013 0.000 0.837 98 A HN 0.416 nan 8.150 nan 0.000 0.446 99 I N 0.041 120.619 120.570 0.015 0.000 2.151 99 I HA -0.321 3.849 4.170 -0.000 0.000 0.243 99 I C 2.343 178.468 176.117 0.014 0.000 1.080 99 I CA 1.625 62.934 61.300 0.014 0.000 1.339 99 I CB -0.456 37.554 38.000 0.017 0.000 1.039 99 I HN 0.305 nan 8.210 nan 0.000 0.409 100 I N 0.336 120.915 120.570 0.015 0.000 2.127 100 I HA -0.299 3.871 4.170 -0.000 0.000 0.241 100 I C 2.599 178.722 176.117 0.011 0.000 1.075 100 I CA 1.825 63.133 61.300 0.014 0.000 1.334 100 I CB -0.624 37.385 38.000 0.015 0.000 1.040 100 I HN 0.259 nan 8.210 nan 0.000 0.405 101 T N -0.072 114.488 114.554 0.010 0.000 2.720 101 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 101 T C 1.839 176.543 174.700 0.007 0.000 1.037 101 T CA 1.259 63.364 62.100 0.008 0.000 1.144 101 T CB -0.158 68.714 68.868 0.007 0.000 0.864 101 T HN 0.261 nan 8.240 nan 0.000 0.444 102 E N 0.623 120.827 120.200 0.008 0.000 2.051 102 E HA 0.060 4.410 4.350 -0.000 0.000 0.189 102 E C 2.521 179.125 176.600 0.007 0.000 0.979 102 E CA 0.930 57.334 56.400 0.007 0.000 0.803 102 E CB -1.036 28.669 29.700 0.007 0.000 0.761 102 E HN 0.492 nan 8.360 nan 0.000 0.451 103 G N 2.248 111.053 108.800 0.008 0.000 2.764 103 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.219 103 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.219 103 G C 1.668 176.572 174.900 0.007 0.000 1.259 103 G CA 1.512 46.617 45.100 0.009 0.000 0.793 103 G HN 0.266 nan 8.290 nan 0.000 0.633 104 L N 0.249 121.476 121.223 0.007 0.000 2.129 104 L HA -0.132 4.208 4.340 -0.000 0.000 0.212 104 L C 2.832 179.704 176.870 0.004 0.000 1.087 104 L CA 1.615 56.458 54.840 0.005 0.000 0.757 104 L CB -0.406 41.655 42.059 0.004 0.000 0.896 104 L HN 0.261 nan 8.230 nan 0.000 0.434 105 K N 0.228 120.630 120.400 0.004 0.000 2.148 105 K HA -0.134 4.186 4.320 -0.000 0.000 0.204 105 K C 2.156 178.758 176.600 0.003 0.000 1.050 105 K CA 1.128 57.417 56.287 0.003 0.000 0.942 105 K CB 0.022 32.524 32.500 0.003 0.000 0.724 105 K HN 0.315 nan 8.250 nan 0.000 0.446 106 A N 0.424 123.246 122.820 0.004 0.000 1.898 106 A HA -0.057 4.263 4.320 -0.000 0.000 0.214 106 A C 2.138 179.725 177.584 0.005 0.000 1.183 106 A CA 0.956 52.996 52.037 0.004 0.000 0.622 106 A CB -0.430 18.573 19.000 0.005 0.000 0.824 106 A HN 0.115 nan 8.150 nan 0.000 0.444 107 V N 0.083 120.001 119.914 0.005 0.000 2.392 107 V HA -0.272 3.848 4.120 -0.000 0.000 0.249 107 V C 2.872 178.969 176.094 0.005 0.000 1.059 107 V CA 1.919 64.223 62.300 0.006 0.000 1.051 107 V CB -1.035 30.793 31.823 0.008 0.000 0.658 107 V HN 0.592 nan 8.190 nan 0.000 0.455 108 A N -0.591 122.231 122.820 0.003 0.000 2.206 108 A HA 0.258 4.578 4.320 -0.000 0.000 0.211 108 A C 2.154 179.739 177.584 0.002 0.000 1.158 108 A CA 1.174 53.212 52.037 0.002 0.000 0.761 108 A CB -0.341 18.659 19.000 0.001 0.000 0.801 108 A HN 0.546 nan 8.150 nan 0.000 0.473 109 A N -1.864 120.957 122.820 0.002 0.000 2.218 109 A HA 0.433 4.753 4.320 -0.000 0.000 0.209 109 A C 1.698 179.283 177.584 0.002 0.000 1.168 109 A CA 1.174 53.212 52.037 0.002 0.000 0.804 109 A CB -0.517 18.484 19.000 0.002 0.000 0.834 109 A HN 1.678 nan 8.150 nan 0.000 0.482 110 G N -2.070 106.731 108.800 0.002 0.000 2.179 110 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.220 110 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.220 110 G C 0.198 175.100 174.900 0.003 0.000 0.990 110 G CA 0.197 45.298 45.100 0.002 0.000 0.646 110 G HN 0.326 nan 8.290 nan 0.000 0.517 111 M N 0.934 120.536 119.600 0.004 0.000 2.240 111 M HA 0.323 4.803 4.480 -0.000 0.000 0.317 111 M C 0.750 177.053 176.300 0.006 0.000 1.087 111 M CA -0.030 55.273 55.300 0.005 0.000 1.176 111 M CB 0.304 32.907 32.600 0.005 0.000 1.439 111 M HN 0.281 nan 8.290 nan 0.000 0.452 112 N N 2.564 121.268 118.700 0.006 0.000 2.406 112 N HA 0.261 5.001 4.740 -0.000 0.000 0.251 112 N C -2.316 173.199 175.510 0.009 0.000 1.069 112 N CA -1.941 51.114 53.050 0.008 0.000 0.947 112 N CB 0.929 39.420 38.487 0.007 0.000 1.111 112 N HN 0.189 nan 8.380 nan 0.000 0.497 113 P HA -0.165 nan 4.420 nan 0.000 0.216 113 P C 1.277 178.585 177.300 0.012 0.000 1.153 113 P CA 1.106 64.214 63.100 0.012 0.000 0.858 113 P CB 0.119 31.828 31.700 0.014 0.000 0.789 114 M N -0.844 118.764 119.600 0.013 0.000 2.460 114 M HA -0.103 4.377 4.480 -0.000 0.000 0.263 114 M C 1.052 177.358 176.300 0.011 0.000 1.071 114 M CA 1.613 56.921 55.300 0.013 0.000 1.096 114 M CB -0.977 31.631 32.600 0.013 0.000 1.408 114 M HN -0.214 nan 8.290 nan 0.000 0.463 115 D N -0.624 119.782 120.400 0.010 0.000 2.149 115 D HA -0.004 4.636 4.640 -0.000 0.000 0.206 115 D C 2.018 178.323 176.300 0.008 0.000 0.967 115 D CA 1.024 55.029 54.000 0.008 0.000 0.848 115 D CB -0.249 40.555 40.800 0.007 0.000 0.998 115 D HN 0.331 nan 8.370 nan 0.000 0.474 116 L N 1.027 122.255 121.223 0.009 0.000 2.051 116 L HA -0.240 4.100 4.340 -0.000 0.000 0.214 116 L C 2.500 179.376 176.870 0.010 0.000 1.076 116 L CA 1.342 56.187 54.840 0.009 0.000 0.758 116 L CB -0.418 41.647 42.059 0.009 0.000 0.890 116 L HN 0.042 nan 8.230 nan 0.000 0.433 117 K N 0.316 120.722 120.400 0.011 0.000 2.026 117 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 117 K C 2.305 178.911 176.600 0.011 0.000 1.048 117 K CA 1.299 57.593 56.287 0.012 0.000 0.929 117 K CB -0.015 32.493 32.500 0.014 0.000 0.713 117 K HN 0.207 nan 8.250 nan 0.000 0.439 118 R N -0.198 120.308 120.500 0.010 0.000 2.127 118 R HA -0.099 4.241 4.340 -0.000 0.000 0.238 118 R C 2.407 178.711 176.300 0.007 0.000 1.134 118 R CA 1.273 57.378 56.100 0.008 0.000 0.975 118 R CB -0.514 29.791 30.300 0.008 0.000 0.865 118 R HN 0.406 nan 8.270 nan 0.000 0.447 119 G N 1.721 110.525 108.800 0.007 0.000 2.484 119 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.215 119 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.215 119 G C 1.473 176.377 174.900 0.006 0.000 1.219 119 G CA 0.640 45.744 45.100 0.006 0.000 0.791 119 G HN 0.131 nan 8.290 nan 0.000 0.550 120 I N 1.274 121.849 120.570 0.007 0.000 2.113 120 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 120 I C 2.447 178.567 176.117 0.006 0.000 1.057 120 I CA 1.837 63.141 61.300 0.007 0.000 1.314 120 I CB -0.193 37.813 38.000 0.010 0.000 1.022 120 I HN 0.110 nan 8.210 nan 0.000 0.408 121 D N 0.293 120.698 120.400 0.007 0.000 2.117 121 D HA -0.208 4.432 4.640 -0.000 0.000 0.197 121 D C 2.092 178.393 176.300 0.002 0.000 0.987 121 D CA 1.190 55.194 54.000 0.005 0.000 0.829 121 D CB -0.266 40.539 40.800 0.008 0.000 0.961 121 D HN 0.337 nan 8.370 nan 0.000 0.460 122 K N 0.626 121.028 120.400 0.003 0.000 2.057 122 K HA -0.074 4.246 4.320 -0.000 0.000 0.206 122 K C 2.051 178.650 176.600 -0.000 0.000 1.050 122 K CA 1.139 57.427 56.287 0.001 0.000 0.935 122 K CB -0.022 32.480 32.500 0.002 0.000 0.715 122 K HN 0.008 nan 8.250 nan 0.000 0.439 123 A N 0.728 123.549 122.820 0.001 0.000 1.908 123 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 123 A C 2.237 179.819 177.584 -0.003 0.000 1.181 123 A CA 1.749 53.786 52.037 0.000 0.000 0.627 123 A CB -0.729 18.272 19.000 0.002 0.000 0.818 123 A HN 0.184 nan 8.150 nan 0.000 0.445 124 V N -0.007 119.904 119.914 -0.004 0.000 2.343 124 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 124 V C 2.728 178.812 176.094 -0.015 0.000 1.051 124 V CA 2.446 64.739 62.300 -0.011 0.000 1.036 124 V CB -1.273 30.543 31.823 -0.013 0.000 0.654 124 V HN 0.653 nan 8.190 nan 0.000 0.451 125 T N 0.292 114.839 114.554 -0.011 0.000 2.803 125 T HA -0.159 4.191 4.350 -0.000 0.000 0.269 125 T C 1.950 176.644 174.700 -0.011 0.000 1.052 125 T CA 1.540 63.633 62.100 -0.012 0.000 1.136 125 T CB -0.327 68.537 68.868 -0.007 0.000 0.864 125 T HN 0.583 nan 8.240 nan 0.000 0.467 126 A N 1.307 124.123 122.820 -0.008 0.000 1.878 126 A HA 0.450 4.770 4.320 -0.000 0.000 0.213 126 A C 2.680 180.260 177.584 -0.006 0.000 1.192 126 A CA 1.247 53.281 52.037 -0.005 0.000 0.619 126 A CB -1.091 17.907 19.000 -0.003 0.000 0.837 126 A HN 0.468 nan 8.150 nan 0.000 0.446 127 A N -0.322 122.494 122.820 -0.007 0.000 1.940 127 A HA -0.050 4.270 4.320 -0.000 0.000 0.219 127 A C 2.203 179.780 177.584 -0.012 0.000 1.176 127 A CA 1.912 53.944 52.037 -0.008 0.000 0.631 127 A CB -0.940 18.055 19.000 -0.008 0.000 0.814 127 A HN 0.380 nan 8.150 nan 0.000 0.446 128 V N -0.074 119.829 119.914 -0.019 0.000 2.343 128 V HA -0.200 3.920 4.120 -0.000 0.000 0.247 128 V C 2.629 178.713 176.094 -0.016 0.000 1.051 128 V CA 2.156 64.441 62.300 -0.024 0.000 1.036 128 V CB -0.689 31.113 31.823 -0.036 0.000 0.654 128 V HN 0.474 nan 8.190 nan 0.000 0.451 129 E N -0.078 120.115 120.200 -0.012 0.000 2.085 129 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 129 E C 2.332 178.929 176.600 -0.005 0.000 0.994 129 E CA 1.067 57.462 56.400 -0.008 0.000 0.801 129 E CB -0.296 29.401 29.700 -0.006 0.000 0.743 129 E HN 0.516 nan 8.360 nan 0.000 0.453 130 E N 0.274 120.472 120.200 -0.004 0.000 2.077 130 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 130 E C 2.390 178.990 176.600 0.000 0.000 0.989 130 E CA 0.477 56.877 56.400 -0.000 0.000 0.800 130 E CB -0.276 29.424 29.700 0.001 0.000 0.746 130 E HN 0.286 nan 8.360 nan 0.000 0.452 131 L N 0.495 121.716 121.223 -0.002 0.000 2.083 131 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 131 L C 2.404 179.273 176.870 -0.002 0.000 1.083 131 L CA 1.126 55.965 54.840 -0.002 0.000 0.752 131 L CB -0.294 41.761 42.059 -0.007 0.000 0.899 131 L HN 0.011 nan 8.230 nan 0.000 0.433 132 K N 0.041 120.438 120.400 -0.004 0.000 2.160 132 K HA -0.173 4.147 4.320 -0.000 0.000 0.206 132 K C 2.076 178.676 176.600 0.000 0.000 1.047 132 K CA 1.437 57.722 56.287 -0.003 0.000 0.930 132 K CB -0.323 32.174 32.500 -0.004 0.000 0.720 132 K HN 0.344 nan 8.250 nan 0.000 0.450 133 A N -0.032 122.788 122.820 0.001 0.000 1.854 133 A HA -0.074 4.246 4.320 -0.000 0.000 0.214 133 A C 1.985 179.573 177.584 0.005 0.000 1.192 133 A CA 1.014 53.053 52.037 0.003 0.000 0.611 133 A CB -0.537 18.465 19.000 0.003 0.000 0.832 133 A HN 0.168 nan 8.150 nan 0.000 0.442 134 L N 0.495 121.722 121.223 0.007 0.000 2.131 134 L HA -0.042 4.298 4.340 -0.000 0.000 0.210 134 L C 1.747 178.623 176.870 0.010 0.000 1.092 134 L CA 1.367 56.213 54.840 0.010 0.000 0.759 134 L CB -0.520 41.546 42.059 0.012 0.000 0.903 134 L HN 0.383 nan 8.230 nan 0.000 0.435 135 S N -0.270 115.435 115.700 0.007 0.000 2.546 135 S HA 0.254 4.724 4.470 -0.000 0.000 0.290 135 S C -0.197 174.408 174.600 0.008 0.000 1.290 135 S CA -0.438 57.767 58.200 0.007 0.000 1.069 135 S CB 0.197 63.400 63.200 0.005 0.000 0.846 135 S HN 0.149 nan 8.310 nan 0.000 0.495 136 V N 3.078 122.997 119.914 0.009 0.000 2.628 136 V HA 0.733 4.853 4.120 -0.000 0.000 0.306 136 V C -2.668 173.430 176.094 0.007 0.000 1.045 136 V CA -2.706 59.599 62.300 0.008 0.000 0.905 136 V CB 0.835 32.664 31.823 0.010 0.000 0.997 136 V HN 0.699 nan 8.190 nan 0.000 0.436 137 P HA 0.191 nan 4.420 nan 0.000 0.270 137 P C -0.617 176.687 177.300 0.006 0.000 1.221 137 P CA -0.059 63.044 63.100 0.005 0.000 0.788 137 P CB 0.347 32.049 31.700 0.004 0.000 0.904 138 C N 1.800 121.103 119.300 0.006 0.000 2.660 138 C HA 0.553 5.013 4.460 -0.000 0.000 0.336 138 C C 0.961 175.953 174.990 0.004 0.000 1.058 138 C CA 0.557 59.579 59.018 0.006 0.000 1.368 138 C CB -0.722 27.022 27.740 0.007 0.000 1.884 138 C HN 0.694 nan 8.230 nan 0.000 0.454 139 S N 2.226 117.928 115.700 0.004 0.000 2.769 139 S HA 0.199 4.669 4.470 -0.000 0.000 0.258 139 S C -0.006 174.595 174.600 0.002 0.000 1.080 139 S CA 0.231 58.433 58.200 0.003 0.000 0.943 139 S CB -0.344 62.857 63.200 0.002 0.000 0.893 139 S HN 0.859 nan 8.310 nan 0.000 0.490 140 D N 2.357 122.759 120.400 0.003 0.000 2.414 140 D HA 0.266 4.906 4.640 -0.000 0.000 0.242 140 D C 0.701 177.003 176.300 0.003 0.000 1.129 140 D CA 0.024 54.025 54.000 0.002 0.000 0.885 140 D CB 1.155 41.956 40.800 0.003 0.000 1.198 140 D HN 0.091 nan 8.370 nan 0.000 0.437 141 S N 1.325 117.026 115.700 0.002 0.000 2.392 141 S HA -0.260 4.210 4.470 -0.000 0.000 0.232 141 S C 1.592 176.193 174.600 0.002 0.000 1.041 141 S CA 1.683 59.884 58.200 0.002 0.000 1.026 141 S CB -0.240 62.960 63.200 0.001 0.000 0.845 141 S HN 0.688 nan 8.310 nan 0.000 0.465 142 K N 1.019 121.420 120.400 0.002 0.000 2.057 142 K HA -0.037 4.283 4.320 -0.000 0.000 0.206 142 K C 2.252 178.854 176.600 0.003 0.000 1.050 142 K CA 1.159 57.447 56.287 0.002 0.000 0.935 142 K CB -0.361 32.141 32.500 0.002 0.000 0.715 142 K HN 0.293 nan 8.250 nan 0.000 0.439 143 A N 1.400 124.222 122.820 0.004 0.000 1.877 143 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 143 A C 2.118 179.705 177.584 0.006 0.000 1.186 143 A CA 1.538 53.578 52.037 0.005 0.000 0.620 143 A CB -0.618 18.386 19.000 0.006 0.000 0.822 143 A HN 0.364 nan 8.150 nan 0.000 0.443 144 I N -0.233 120.341 120.570 0.005 0.000 2.163 144 I HA -0.316 3.854 4.170 -0.000 0.000 0.243 144 I C 2.966 179.087 176.117 0.007 0.000 1.085 144 I CA 1.140 62.444 61.300 0.007 0.000 1.347 144 I CB -0.268 37.735 38.000 0.005 0.000 1.044 144 I HN 0.369 nan 8.210 nan 0.000 0.408 145 A N -0.195 122.628 122.820 0.005 0.000 1.978 145 A HA -0.287 4.033 4.320 -0.000 0.000 0.220 145 A C 2.215 179.802 177.584 0.004 0.000 1.170 145 A CA 1.732 53.772 52.037 0.005 0.000 0.636 145 A CB -0.577 18.424 19.000 0.003 0.000 0.810 145 A HN 0.493 nan 8.150 nan 0.000 0.448 146 Q N -0.649 119.153 119.800 0.004 0.000 2.046 146 Q HA -0.106 4.234 4.340 -0.000 0.000 0.200 146 Q C 2.316 178.319 176.000 0.005 0.000 0.975 146 Q CA 1.913 57.718 55.803 0.002 0.000 0.836 146 Q CB -0.475 28.264 28.738 0.001 0.000 0.896 146 Q HN 0.749 nan 8.270 nan 0.000 0.428 147 V N -1.315 118.604 119.914 0.008 0.000 2.295 147 V HA -0.124 3.995 4.120 -0.000 0.000 0.246 147 V C 1.983 178.085 176.094 0.014 0.000 1.049 147 V CA 2.270 64.578 62.300 0.012 0.000 1.024 147 V CB -1.517 30.315 31.823 0.016 0.000 0.648 147 V HN 0.378 nan 8.190 nan 0.000 0.447 148 G N -0.160 108.649 108.800 0.015 0.000 2.513 148 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.219 148 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.219 148 G C 1.612 176.519 174.900 0.012 0.000 1.160 148 G CA 1.879 46.989 45.100 0.017 0.000 0.767 148 G HN 0.528 nan 8.290 nan 0.000 0.571 149 T N 0.886 115.444 114.554 0.007 0.000 2.746 149 T HA -0.061 4.289 4.350 -0.000 0.000 0.267 149 T C 2.385 177.085 174.700 0.000 0.000 1.039 149 T CA 1.089 63.190 62.100 0.002 0.000 1.142 149 T CB -0.128 68.739 68.868 -0.002 0.000 0.866 149 T HN 0.152 nan 8.240 nan 0.000 0.444 150 I N 0.706 121.277 120.570 0.001 0.000 2.353 150 I HA -0.069 4.101 4.170 -0.000 0.000 0.248 150 I C 2.622 178.741 176.117 0.003 0.000 1.119 150 I CA 0.789 62.088 61.300 -0.001 0.000 1.417 150 I CB -0.430 37.569 38.000 -0.002 0.000 1.078 150 I HN 0.135 nan 8.210 nan 0.000 0.421 151 S N 0.262 115.967 115.700 0.009 0.000 2.370 151 S HA -0.098 4.372 4.470 -0.000 0.000 0.226 151 S C 1.818 176.424 174.600 0.009 0.000 1.033 151 S CA 1.269 59.477 58.200 0.013 0.000 1.011 151 S CB -0.262 62.951 63.200 0.022 0.000 0.852 151 S HN 0.432 nan 8.310 nan 0.000 0.457 152 A N 1.032 123.857 122.820 0.008 0.000 2.734 152 A HA 0.362 4.682 4.320 -0.000 0.000 0.279 152 A C 0.538 178.123 177.584 0.001 0.000 1.386 152 A CA -0.047 51.993 52.037 0.005 0.000 0.987 152 A CB -1.251 17.753 19.000 0.007 0.000 1.041 152 A HN 0.759 nan 8.150 nan 0.000 0.569 153 N N 0.267 118.966 118.700 -0.001 0.000 2.714 153 N HA -0.218 4.522 4.740 -0.000 0.000 0.253 153 N C -0.124 175.382 175.510 -0.008 0.000 1.024 153 N CA 0.454 53.501 53.050 -0.005 0.000 0.726 153 N CB -0.869 37.616 38.487 -0.004 0.000 0.908 153 N HN 0.446 nan 8.380 nan 0.000 0.542 154 S N -0.418 115.276 115.700 -0.009 0.000 3.812 154 S HA -0.191 4.279 4.470 -0.000 0.000 0.341 154 S C -0.658 173.935 174.600 -0.011 0.000 1.057 154 S CA 0.900 59.092 58.200 -0.013 0.000 1.015 154 S CB -0.671 62.517 63.200 -0.020 0.000 0.893 154 S HN 0.667 nan 8.310 nan 0.000 0.476 155 D N 0.994 121.390 120.400 -0.006 0.000 2.473 155 D HA 0.281 4.921 4.640 -0.000 0.000 0.226 155 D C 1.112 177.410 176.300 -0.003 0.000 1.089 155 D CA -0.456 53.541 54.000 -0.004 0.000 0.883 155 D CB 0.573 41.372 40.800 -0.002 0.000 1.029 155 D HN 0.397 nan 8.370 nan 0.000 0.517 156 E N 0.964 121.161 120.200 -0.005 0.000 2.171 156 E HA -0.157 4.193 4.350 -0.000 0.000 0.197 156 E C 1.174 177.773 176.600 -0.001 0.000 0.997 156 E CA 1.337 57.735 56.400 -0.004 0.000 0.810 156 E CB 0.396 30.092 29.700 -0.006 0.000 0.738 156 E HN 0.500 nan 8.360 nan 0.000 0.467 157 T N 0.305 114.859 114.554 -0.001 0.000 2.857 157 T HA -0.084 4.266 4.350 -0.000 0.000 0.266 157 T C 2.141 176.842 174.700 0.003 0.000 1.048 157 T CA 0.928 63.028 62.100 0.000 0.000 1.139 157 T CB -0.157 68.711 68.868 0.000 0.000 0.874 157 T HN -0.005 nan 8.240 nan 0.000 0.455 158 V N 1.762 121.679 119.914 0.004 0.000 2.358 158 V HA -0.053 4.067 4.120 -0.000 0.000 0.246 158 V C 2.890 178.990 176.094 0.008 0.000 1.047 158 V CA 1.810 64.115 62.300 0.008 0.000 1.035 158 V CB -1.580 30.248 31.823 0.009 0.000 0.658 158 V HN 0.569 nan 8.190 nan 0.000 0.452 159 G N 0.347 109.151 108.800 0.006 0.000 2.587 159 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.217 159 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.217 159 G C 1.551 176.454 174.900 0.005 0.000 1.240 159 G CA 1.428 46.532 45.100 0.006 0.000 0.794 159 G HN 0.453 nan 8.290 nan 0.000 0.580 160 K N -0.173 120.229 120.400 0.003 0.000 2.077 160 K HA -0.131 4.189 4.320 -0.000 0.000 0.213 160 K C 2.341 178.943 176.600 0.004 0.000 1.051 160 K CA 1.264 57.552 56.287 0.003 0.000 0.929 160 K CB -0.720 31.781 32.500 0.001 0.000 0.715 160 K HN 0.253 nan 8.250 nan 0.000 0.451 161 L N 0.339 121.565 121.223 0.005 0.000 2.056 161 L HA 0.040 4.380 4.340 -0.000 0.000 0.207 161 L C 2.073 178.947 176.870 0.007 0.000 1.078 161 L CA 1.514 56.358 54.840 0.005 0.000 0.749 161 L CB -0.425 41.638 42.059 0.006 0.000 0.901 161 L HN 0.276 nan 8.230 nan 0.000 0.433 162 I N -1.075 119.501 120.570 0.009 0.000 2.286 162 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 162 I C 2.542 178.663 176.117 0.007 0.000 1.104 162 I CA 1.019 62.325 61.300 0.010 0.000 1.397 162 I CB -0.496 37.513 38.000 0.015 0.000 1.072 162 I HN 0.240 nan 8.210 nan 0.000 0.417 163 A N 0.348 123.171 122.820 0.006 0.000 1.892 163 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 163 A C 2.242 179.828 177.584 0.003 0.000 1.188 163 A CA 2.060 54.099 52.037 0.004 0.000 0.631 163 A CB -0.727 18.275 19.000 0.004 0.000 0.822 163 A HN 0.449 nan 8.150 nan 0.000 0.447 164 E N -0.631 119.570 120.200 0.003 0.000 2.110 164 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 164 E C 2.342 178.943 176.600 0.001 0.000 0.988 164 E CA 0.848 57.249 56.400 0.002 0.000 0.804 164 E CB -0.261 29.440 29.700 0.002 0.000 0.745 164 E HN 0.640 nan 8.360 nan 0.000 0.458 165 A N 1.144 123.966 122.820 0.002 0.000 1.835 165 A HA -0.225 4.095 4.320 -0.000 0.000 0.215 165 A C 2.174 179.758 177.584 0.000 0.000 1.199 165 A CA 1.657 53.695 52.037 0.002 0.000 0.615 165 A CB -0.591 18.412 19.000 0.004 0.000 0.838 165 A HN 0.149 nan 8.150 nan 0.000 0.444 166 M N -0.891 118.709 119.600 0.000 0.000 2.144 166 M HA -0.208 4.272 4.480 -0.000 0.000 0.260 166 M C 1.850 178.149 176.300 -0.002 0.000 1.067 166 M CA 2.053 57.352 55.300 -0.002 0.000 1.095 166 M CB -0.661 31.938 32.600 -0.002 0.000 1.365 166 M HN 0.550 nan 8.290 nan 0.000 0.406 167 D N 0.306 120.705 120.400 -0.001 0.000 2.149 167 D HA -0.160 4.480 4.640 -0.000 0.000 0.198 167 D C 1.909 178.208 176.300 -0.001 0.000 0.990 167 D CA 1.403 55.403 54.000 -0.001 0.000 0.839 167 D CB 0.224 41.023 40.800 -0.000 0.000 0.948 167 D HN 0.169 nan 8.370 nan 0.000 0.460 168 K N -0.929 119.471 120.400 -0.001 0.000 2.202 168 K HA 0.049 4.369 4.320 -0.000 0.000 0.201 168 K C 1.928 178.527 176.600 -0.001 0.000 1.051 168 K CA 0.691 56.978 56.287 -0.001 0.000 0.977 168 K CB 0.409 32.909 32.500 -0.001 0.000 0.792 168 K HN 0.122 nan 8.250 nan 0.000 0.469 169 V N -2.637 117.276 119.914 -0.002 0.000 2.788 169 V HA 0.305 4.425 4.120 -0.000 0.000 0.251 169 V C 1.027 177.120 176.094 -0.003 0.000 1.068 169 V CA 0.658 62.957 62.300 -0.002 0.000 1.090 169 V CB -0.853 30.969 31.823 -0.002 0.000 0.710 169 V HN 0.361 nan 8.190 nan 0.000 0.467 170 G N 0.385 109.183 108.800 -0.004 0.000 2.548 170 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.208 170 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.208 170 G C 0.160 175.056 174.900 -0.006 0.000 1.308 170 G CA 0.199 45.296 45.100 -0.004 0.000 0.924 170 G HN 0.287 nan 8.290 nan 0.000 0.540 171 K N 0.063 120.459 120.400 -0.007 0.000 2.202 171 K HA 0.163 4.483 4.320 -0.000 0.000 0.201 171 K C 1.565 178.158 176.600 -0.011 0.000 1.051 171 K CA 0.876 57.158 56.287 -0.008 0.000 0.977 171 K CB 0.121 32.617 32.500 -0.007 0.000 0.792 171 K HN 0.444 nan 8.250 nan 0.000 0.469 172 E N 1.035 121.229 120.200 -0.010 0.000 2.320 172 E HA 0.060 4.410 4.350 -0.000 0.000 0.189 172 E C 0.033 176.626 176.600 -0.012 0.000 1.100 172 E CA -0.130 56.263 56.400 -0.012 0.000 1.009 172 E CB 0.632 30.325 29.700 -0.011 0.000 1.145 172 E HN 0.199 nan 8.360 nan 0.000 0.454 173 G N 0.251 109.045 108.800 -0.011 0.000 2.453 173 G HA2 0.448 4.408 3.960 -0.000 0.000 0.323 173 G HA3 0.448 4.408 3.960 -0.000 0.000 0.323 173 G C -0.408 174.485 174.900 -0.012 0.000 1.198 173 G CA -0.460 44.635 45.100 -0.009 0.000 0.959 173 G HN -0.023 nan 8.290 nan 0.000 0.482 174 V N 0.942 120.851 119.914 -0.008 0.000 2.532 174 V HA 0.544 4.664 4.120 -0.000 0.000 0.295 174 V C -0.168 175.923 176.094 -0.005 0.000 1.041 174 V CA -0.544 61.750 62.300 -0.009 0.000 0.926 174 V CB 1.420 33.240 31.823 -0.005 0.000 0.992 174 V HN 0.572 nan 8.190 nan 0.000 0.457 175 I N 3.467 124.033 120.570 -0.007 0.000 2.439 175 I HA 0.476 4.646 4.170 -0.000 0.000 0.285 175 I C 0.167 176.288 176.117 0.007 0.000 1.021 175 I CA -0.116 61.185 61.300 0.000 0.000 1.091 175 I CB 2.222 40.222 38.000 -0.001 0.000 1.242 175 I HN 0.782 nan 8.210 nan 0.000 0.439 176 T N 2.810 117.372 114.554 0.014 0.000 2.950 176 T HA 0.720 5.070 4.350 -0.000 0.000 0.288 176 T C -0.570 174.146 174.700 0.026 0.000 1.035 176 T CA -0.937 61.177 62.100 0.024 0.000 1.028 176 T CB 2.432 71.316 68.868 0.026 0.000 1.109 176 T HN 0.316 nan 8.240 nan 0.000 0.514 177 V N 1.232 121.166 119.914 0.033 0.000 2.483 177 V HA 0.680 4.800 4.120 -0.000 0.000 0.297 177 V C -1.353 174.758 176.094 0.027 0.000 1.027 177 V CA -0.517 61.801 62.300 0.030 0.000 0.855 177 V CB 1.242 33.088 31.823 0.038 0.000 0.995 177 V HN 1.104 nan 8.190 nan 0.000 0.424 178 E N 3.676 123.888 120.200 0.020 0.000 2.423 178 E HA 0.545 4.895 4.350 -0.000 0.000 0.269 178 E C -1.654 174.954 176.600 0.013 0.000 0.948 178 E CA -1.144 55.266 56.400 0.017 0.000 0.802 178 E CB 1.174 30.884 29.700 0.015 0.000 1.339 178 E HN 0.584 nan 8.360 nan 0.000 0.445 179 D N 0.916 121.323 120.400 0.012 0.000 2.425 179 D HA 0.241 4.881 4.640 -0.000 0.000 0.247 179 D C 0.133 176.437 176.300 0.007 0.000 1.147 179 D CA 0.272 54.277 54.000 0.009 0.000 0.879 179 D CB 1.019 41.824 40.800 0.008 0.000 1.179 179 D HN 0.527 nan 8.370 nan 0.000 0.456 180 G N 0.179 108.982 108.800 0.006 0.000 2.502 180 G HA2 0.354 4.314 3.960 -0.000 0.000 0.305 180 G HA3 0.354 4.314 3.960 -0.000 0.000 0.305 180 G C 1.074 175.975 174.900 0.002 0.000 1.190 180 G CA -0.269 44.833 45.100 0.004 0.000 0.933 180 G HN 0.418 nan 8.290 nan 0.000 0.503 181 T N -1.613 112.941 114.554 0.001 0.000 2.901 181 T HA 0.224 4.574 4.350 -0.000 0.000 0.252 181 T C 1.584 176.284 174.700 0.001 0.000 1.035 181 T CA 0.885 62.985 62.100 0.001 0.000 1.142 181 T CB -0.466 68.401 68.868 -0.001 0.000 0.869 181 T HN 0.724 nan 8.240 nan 0.000 0.442 182 G N 0.663 109.463 108.800 0.000 0.000 2.516 182 G HA2 0.479 4.439 3.960 -0.000 0.000 0.276 182 G HA3 0.479 4.439 3.960 -0.000 0.000 0.276 182 G C 0.580 175.480 174.900 0.000 0.000 1.390 182 G CA -0.585 44.515 45.100 0.000 0.000 1.050 182 G HN 0.316 nan 8.290 nan 0.000 0.519 183 L N -0.755 120.468 121.223 0.000 0.000 2.375 183 L HA 0.120 4.460 4.340 -0.000 0.000 0.215 183 L C 0.595 177.465 176.870 0.000 0.000 1.108 183 L CA 0.709 55.550 54.840 0.000 0.000 0.830 183 L CB -0.229 41.830 42.059 -0.000 0.000 0.959 183 L HN 0.513 nan 8.230 nan 0.000 0.457 184 Q N -0.506 119.294 119.800 0.000 0.000 2.257 184 Q HA 0.306 4.646 4.340 -0.000 0.000 0.262 184 Q C -0.673 175.328 176.000 0.001 0.000 0.997 184 Q CA -0.708 55.095 55.803 0.000 0.000 0.873 184 Q CB 0.827 29.565 28.738 -0.000 0.000 1.312 184 Q HN -0.008 nan 8.270 nan 0.000 0.450 185 D N 1.151 121.552 120.400 0.002 0.000 2.382 185 D HA 0.089 4.729 4.640 -0.000 0.000 0.240 185 D C -0.507 175.795 176.300 0.002 0.000 1.146 185 D CA 0.252 54.254 54.000 0.003 0.000 0.897 185 D CB 0.923 41.726 40.800 0.004 0.000 1.197 185 D HN 0.588 nan 8.370 nan 0.000 0.432 186 E N 0.630 120.832 120.200 0.003 0.000 2.321 186 E HA 0.318 4.668 4.350 -0.000 0.000 0.281 186 E C -1.877 174.724 176.600 0.003 0.000 0.910 186 E CA -0.757 55.644 56.400 0.002 0.000 0.770 186 E CB 1.768 31.468 29.700 0.001 0.000 1.225 186 E HN 0.172 nan 8.360 nan 0.000 0.417 187 L N 4.090 125.315 121.223 0.002 0.000 2.296 187 L HA 0.519 4.859 4.340 -0.000 0.000 0.286 187 L C -1.369 175.501 176.870 0.000 0.000 1.023 187 L CA -0.121 54.720 54.840 0.002 0.000 0.812 187 L CB 1.364 43.424 42.059 0.002 0.000 1.223 187 L HN 0.427 nan 8.230 nan 0.000 0.421 188 D N 4.429 124.829 120.400 0.000 0.000 2.391 188 D HA 0.432 5.072 4.640 -0.000 0.000 0.245 188 D C -1.044 175.255 176.300 -0.001 0.000 1.069 188 D CA -0.056 53.943 54.000 -0.002 0.000 0.831 188 D CB 2.532 43.330 40.800 -0.003 0.000 1.204 188 D HN 0.277 nan 8.370 nan 0.000 0.503 189 V N 2.649 122.562 119.914 -0.002 0.000 2.409 189 V HA 0.281 4.401 4.120 -0.000 0.000 0.291 189 V C 0.089 176.181 176.094 -0.003 0.000 1.020 189 V CA -0.809 61.490 62.300 -0.002 0.000 0.848 189 V CB 1.978 33.801 31.823 -0.001 0.000 0.990 189 V HN 0.266 nan 8.190 nan 0.000 0.430 190 V N 4.668 124.581 119.914 -0.002 0.000 2.350 190 V HA 0.413 4.533 4.120 -0.000 0.000 0.276 190 V C 0.216 176.311 176.094 0.001 0.000 1.028 190 V CA -0.683 61.615 62.300 -0.003 0.000 0.860 190 V CB 1.271 33.092 31.823 -0.004 0.000 0.990 190 V HN 0.782 nan 8.190 nan 0.000 0.453 191 E N 2.864 123.064 120.200 -0.001 0.000 2.313 191 E HA 0.560 4.910 4.350 -0.000 0.000 0.272 191 E C 0.842 177.446 176.600 0.006 0.000 1.038 191 E CA 0.787 57.188 56.400 0.002 0.000 0.863 191 E CB 1.781 31.480 29.700 -0.001 0.000 1.060 191 E HN 0.948 nan 8.360 nan 0.000 0.402 192 G N 2.427 111.233 108.800 0.009 0.000 2.528 192 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.262 192 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.262 192 G C -0.147 174.769 174.900 0.027 0.000 1.200 192 G CA 0.294 45.404 45.100 0.016 0.000 0.951 192 G HN 0.529 nan 8.290 nan 0.000 0.566 193 M N 0.989 120.615 119.600 0.044 0.000 2.364 193 M HA 0.675 5.155 4.480 -0.000 0.000 0.334 193 M C -0.407 175.955 176.300 0.103 0.000 1.107 193 M CA -0.568 54.777 55.300 0.074 0.000 0.988 193 M CB 1.568 34.219 32.600 0.085 0.000 1.673 193 M HN 0.897 nan 8.290 nan 0.000 0.441 194 Q N 4.604 124.474 119.800 0.117 0.000 2.377 194 Q HA 0.607 4.947 4.340 -0.000 0.000 0.279 194 Q C -2.222 173.883 176.000 0.175 0.000 1.049 194 Q CA -0.693 55.158 55.803 0.081 0.000 0.825 194 Q CB 2.370 31.097 28.738 -0.018 0.000 1.401 194 Q HN 0.732 nan 8.270 nan 0.000 0.404 195 F N -0.596 119.345 119.950 -0.016 0.000 2.613 195 F HA 0.506 5.033 4.527 -0.000 0.000 0.314 195 F C -0.763 175.025 175.800 -0.020 0.000 1.075 195 F CA -1.227 56.761 58.000 -0.021 0.000 0.945 195 F CB 1.102 40.084 39.000 -0.029 0.000 1.310 195 F HN 0.322 nan 8.300 nan 0.000 0.467 196 D N 2.549 123.019 120.400 0.117 0.000 2.441 196 D HA 0.220 4.860 4.640 -0.000 0.000 0.243 196 D C -0.489 175.831 176.300 0.034 0.000 1.257 196 D CA 0.489 54.503 54.000 0.024 0.000 1.027 196 D CB 0.240 41.079 40.800 0.065 0.000 1.084 196 D HN 0.385 nan 8.370 nan 0.000 0.514 197 R N 0.569 120.995 120.500 -0.124 0.000 2.523 197 R HA 0.423 4.763 4.340 -0.000 0.000 0.278 197 R C -0.606 175.585 176.300 -0.181 0.000 1.150 197 R CA -0.579 55.476 56.100 -0.075 0.000 0.987 197 R CB 1.363 31.737 30.300 0.123 0.000 1.232 197 R HN 0.278 nan 8.270 nan 0.000 0.424 198 G N 2.152 110.854 108.800 -0.162 0.000 2.462 198 G HA2 0.404 4.364 3.960 -0.000 0.000 0.319 198 G HA3 0.404 4.364 3.960 -0.000 0.000 0.319 198 G C -0.839 173.955 174.900 -0.176 0.000 1.171 198 G CA -0.583 44.336 45.100 -0.301 0.000 0.920 198 G HN 0.521 nan 8.290 nan 0.000 0.499 199 Y N -0.606 119.702 120.300 0.013 0.000 2.702 199 Y HA 0.265 4.815 4.550 -0.000 0.000 0.336 199 Y C 1.101 177.023 175.900 0.038 0.000 1.235 199 Y CA -0.974 57.156 58.100 0.050 0.000 1.492 199 Y CB 0.327 38.837 38.460 0.084 0.000 1.308 199 Y HN 0.212 nan 8.280 nan 0.000 0.589 200 L N 1.662 123.040 121.223 0.258 0.000 2.375 200 L HA 0.054 4.394 4.340 -0.000 0.000 0.215 200 L C 1.099 178.069 176.870 0.168 0.000 1.108 200 L CA 0.886 55.829 54.840 0.170 0.000 0.830 200 L CB 0.018 42.142 42.059 0.109 0.000 0.959 200 L HN 0.752 nan 8.230 nan 0.000 0.457 201 S N 0.840 116.646 115.700 0.176 0.000 2.528 201 S HA 0.299 4.769 4.470 -0.000 0.000 0.303 201 S C -1.534 173.028 174.600 -0.065 0.000 1.123 201 S CA -1.566 56.685 58.200 0.084 0.000 1.138 201 S CB 0.790 64.028 63.200 0.063 0.000 0.984 201 S HN -0.064 nan 8.310 nan 0.000 0.474 202 P HA -0.061 nan 4.420 nan 0.000 0.223 202 P C 0.161 177.180 177.300 -0.467 0.000 1.151 202 P CA 0.784 63.590 63.100 -0.491 0.000 0.787 202 P CB -0.178 31.304 31.700 -0.363 0.000 0.788 203 Y N -1.435 118.820 120.300 -0.077 0.000 2.581 203 Y HA 0.191 4.741 4.550 -0.000 0.000 0.346 203 Y C 1.736 177.669 175.900 0.056 0.000 1.147 203 Y CA 0.000 58.086 58.100 -0.024 0.000 1.353 203 Y CB -1.301 37.161 38.460 0.002 0.000 1.187 203 Y HN -0.009 nan 8.280 nan 0.000 0.505 204 F N -1.023 118.846 119.950 -0.135 0.000 2.778 204 F HA 0.301 4.828 4.527 -0.000 0.000 0.314 204 F C 0.651 176.371 175.800 -0.133 0.000 1.073 204 F CA -0.297 57.636 58.000 -0.110 0.000 1.218 204 F CB 0.565 39.499 39.000 -0.110 0.000 1.037 204 F HN -0.187 nan 8.300 nan 0.000 0.594 205 I N 4.422 124.795 120.570 -0.328 0.000 3.247 205 I HA -0.259 3.911 4.170 -0.000 0.000 0.309 205 I C 0.885 176.833 176.117 -0.282 0.000 1.246 205 I CA 0.560 61.654 61.300 -0.343 0.000 1.384 205 I CB 0.012 37.870 38.000 -0.236 0.000 1.401 205 I HN 0.400 nan 8.210 nan 0.000 0.520 206 N N 6.626 125.108 118.700 -0.364 0.000 2.314 206 N HA -0.005 4.735 4.740 -0.000 0.000 0.200 206 N C -0.133 175.292 175.510 -0.142 0.000 1.135 206 N CA 0.058 52.963 53.050 -0.241 0.000 0.835 206 N CB 0.535 38.850 38.487 -0.286 0.000 0.989 206 N HN 0.478 nan 8.380 nan 0.000 0.478 207 K N 1.001 121.327 120.400 -0.124 0.000 2.803 207 K HA 0.263 4.583 4.320 -0.000 0.000 0.229 207 K C -2.351 174.215 176.600 -0.056 0.000 1.084 207 K CA -1.180 55.062 56.287 -0.075 0.000 1.063 207 K CB 2.333 34.794 32.500 -0.065 0.000 1.254 207 K HN -0.136 nan 8.250 nan 0.000 0.551 208 P HA -0.094 nan 4.420 nan 0.000 0.231 208 P C 0.586 177.875 177.300 -0.018 0.000 1.158 208 P CA 0.935 64.018 63.100 -0.029 0.000 0.763 208 P CB 0.554 32.242 31.700 -0.021 0.000 0.805 209 E N -0.744 119.445 120.200 -0.019 0.000 2.047 209 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 209 E C 1.922 178.516 176.600 -0.010 0.000 0.987 209 E CA 1.979 58.371 56.400 -0.013 0.000 0.799 209 E CB -1.164 28.527 29.700 -0.015 0.000 0.752 209 E HN 0.339 nan 8.360 nan 0.000 0.449 210 T N -3.391 111.156 114.554 -0.012 0.000 3.057 210 T HA 0.249 4.599 4.350 -0.000 0.000 0.254 210 T C 1.461 176.165 174.700 0.006 0.000 1.094 210 T CA 0.249 62.345 62.100 -0.006 0.000 1.088 210 T CB 0.239 69.101 68.868 -0.011 0.000 0.934 210 T HN 0.277 nan 8.240 nan 0.000 0.497 211 G N 1.199 110.003 108.800 0.007 0.000 2.256 211 G HA2 0.194 4.154 3.960 -0.000 0.000 0.272 211 G HA3 0.194 4.154 3.960 -0.000 0.000 0.272 211 G C 0.019 174.968 174.900 0.082 0.000 1.076 211 G CA -0.116 45.003 45.100 0.032 0.000 0.882 211 G HN 1.238 nan 8.290 nan 0.000 0.497 212 A N -1.283 121.559 122.820 0.036 0.000 2.556 212 A HA 0.884 5.204 4.320 -0.000 0.000 0.294 212 A C -0.355 177.207 177.584 -0.037 0.000 1.091 212 A CA -0.318 51.757 52.037 0.064 0.000 0.704 212 A CB 1.961 20.980 19.000 0.032 0.000 1.300 212 A HN 1.294 nan 8.150 nan 0.000 0.406 213 V N 1.337 121.230 119.914 -0.035 0.000 2.407 213 V HA 0.341 4.461 4.120 -0.000 0.000 0.278 213 V C -0.086 175.943 176.094 -0.109 0.000 1.037 213 V CA -0.038 62.154 62.300 -0.179 0.000 0.900 213 V CB 1.032 32.725 31.823 -0.217 0.000 0.983 213 V HN 0.870 nan 8.190 nan 0.000 0.459 214 E N 5.358 125.478 120.200 -0.135 0.000 2.376 214 E HA 0.374 4.724 4.350 -0.000 0.000 0.236 214 E C -0.991 175.574 176.600 -0.058 0.000 0.962 214 E CA -0.308 56.048 56.400 -0.073 0.000 0.768 214 E CB 1.138 30.802 29.700 -0.061 0.000 1.236 214 E HN 0.579 nan 8.360 nan 0.000 0.431 215 L N 2.753 123.962 121.223 -0.022 0.000 2.315 215 L HA 0.205 4.545 4.340 -0.000 0.000 0.283 215 L C 0.414 177.288 176.870 0.007 0.000 1.089 215 L CA -0.388 54.461 54.840 0.014 0.000 0.833 215 L CB 0.327 42.430 42.059 0.074 0.000 1.170 215 L HN 0.369 nan 8.230 nan 0.000 0.442 216 E N 3.245 123.445 120.200 -0.000 0.000 2.180 216 E HA 0.044 4.394 4.350 -0.000 0.000 0.283 216 E C 0.413 176.999 176.600 -0.023 0.000 1.061 216 E CA 0.013 56.406 56.400 -0.012 0.000 0.861 216 E CB 0.753 30.445 29.700 -0.013 0.000 1.056 216 E HN 0.493 nan 8.360 nan 0.000 0.407 217 S N 4.594 120.271 115.700 -0.039 0.000 3.405 217 S HA -0.116 4.354 4.470 -0.000 0.000 0.373 217 S C -2.454 172.071 174.600 -0.126 0.000 0.939 217 S CA 0.360 58.512 58.200 -0.079 0.000 1.295 217 S CB -0.873 62.277 63.200 -0.083 0.000 0.919 217 S HN 0.523 nan 8.310 nan 0.000 0.535 218 P HA 0.613 nan 4.420 nan 0.000 0.286 218 P C -0.067 177.143 177.300 -0.150 0.000 1.292 218 P CA -0.877 62.179 63.100 -0.073 0.000 0.842 218 P CB 0.457 32.184 31.700 0.046 0.000 1.207 219 F N -0.425 119.549 119.950 0.039 0.000 2.370 219 F HA 0.436 4.963 4.527 -0.000 0.000 0.324 219 F C 0.742 176.566 175.800 0.040 0.000 1.116 219 F CA 0.080 58.100 58.000 0.033 0.000 1.123 219 F CB 0.423 39.439 39.000 0.027 0.000 1.238 219 F HN 0.007 nan 8.300 nan 0.000 0.536 220 I N 2.929 123.657 120.570 0.263 0.000 2.478 220 I HA 0.275 4.445 4.170 -0.000 0.000 0.287 220 I C -1.378 174.811 176.117 0.120 0.000 1.042 220 I CA -0.691 60.703 61.300 0.157 0.000 1.067 220 I CB 1.867 39.935 38.000 0.113 0.000 1.233 220 I HN 0.261 nan 8.210 nan 0.000 0.431 221 L N 7.771 129.047 121.223 0.089 0.000 2.282 221 L HA 0.552 4.892 4.340 -0.000 0.000 0.288 221 L C -1.125 175.767 176.870 0.037 0.000 1.033 221 L CA -0.071 54.799 54.840 0.050 0.000 0.807 221 L CB 0.943 43.021 42.059 0.031 0.000 1.209 221 L HN 0.475 nan 8.230 nan 0.000 0.423 222 L N 6.479 127.714 121.223 0.021 0.000 2.313 222 L HA 0.591 4.931 4.340 -0.000 0.000 0.273 222 L C -0.021 176.848 176.870 -0.002 0.000 1.028 222 L CA -0.570 54.272 54.840 0.004 0.000 0.871 222 L CB 1.144 43.199 42.059 -0.008 0.000 1.242 222 L HN 0.810 nan 8.230 nan 0.000 0.434 223 A N 1.455 124.275 122.820 0.000 0.000 2.260 223 A HA 0.203 4.523 4.320 -0.000 0.000 0.312 223 A C 0.639 178.219 177.584 -0.007 0.000 1.321 223 A CA -0.514 51.522 52.037 -0.002 0.000 0.928 223 A CB 0.681 19.683 19.000 0.003 0.000 1.158 223 A HN 0.775 nan 8.150 nan 0.000 0.542 224 D N 2.420 122.814 120.400 -0.010 0.000 2.097 224 D HA -0.114 4.526 4.640 -0.000 0.000 0.195 224 D C 0.951 177.248 176.300 -0.005 0.000 0.989 224 D CA 1.751 55.743 54.000 -0.012 0.000 0.827 224 D CB 0.009 40.801 40.800 -0.013 0.000 0.966 224 D HN 0.669 nan 8.370 nan 0.000 0.456 225 K N 0.488 120.887 120.400 -0.001 0.000 2.149 225 K HA 0.136 4.456 4.320 -0.000 0.000 0.245 225 K C -0.089 176.515 176.600 0.007 0.000 1.024 225 K CA -0.509 55.780 56.287 0.003 0.000 0.899 225 K CB 0.171 32.673 32.500 0.002 0.000 1.038 225 K HN -0.028 nan 8.250 nan 0.000 0.496 226 K N 0.951 121.357 120.400 0.010 0.000 2.172 226 K HA 0.339 4.659 4.320 -0.000 0.000 0.276 226 K C -0.674 175.933 176.600 0.011 0.000 1.013 226 K CA -0.524 55.772 56.287 0.014 0.000 0.913 226 K CB 0.687 33.198 32.500 0.018 0.000 1.055 226 K HN 0.504 nan 8.250 nan 0.000 0.461 227 I N 1.808 122.386 120.570 0.012 0.000 2.440 227 I HA 0.033 4.203 4.170 -0.000 0.000 0.294 227 I C 0.877 177.000 176.117 0.010 0.000 0.995 227 I CA -0.077 61.228 61.300 0.009 0.000 1.306 227 I CB 1.785 39.789 38.000 0.007 0.000 1.407 227 I HN 0.914 nan 8.210 nan 0.000 0.501 228 S N 2.956 118.660 115.700 0.007 0.000 2.617 228 S HA 0.241 4.711 4.470 -0.000 0.000 0.278 228 S C -0.311 174.291 174.600 0.003 0.000 1.082 228 S CA -0.275 57.929 58.200 0.007 0.000 1.228 228 S CB 0.136 63.342 63.200 0.008 0.000 1.130 228 S HN 0.748 nan 8.310 nan 0.000 0.621 229 N N 1.297 119.997 118.700 0.000 0.000 2.321 229 N HA 0.421 5.161 4.740 -0.000 0.000 0.299 229 N C 0.066 175.573 175.510 -0.006 0.000 1.048 229 N CA -0.619 52.429 53.050 -0.003 0.000 0.836 229 N CB 1.272 39.757 38.487 -0.003 0.000 1.269 229 N HN 0.019 nan 8.380 nan 0.000 0.486 230 I N 1.253 121.818 120.570 -0.008 0.000 2.756 230 I HA -0.035 4.135 4.170 -0.000 0.000 0.262 230 I C 2.125 178.235 176.117 -0.013 0.000 1.225 230 I CA 1.087 62.379 61.300 -0.012 0.000 1.472 230 I CB -0.190 37.802 38.000 -0.014 0.000 1.094 230 I HN 0.573 nan 8.210 nan 0.000 0.454 231 R N 0.548 121.042 120.500 -0.011 0.000 2.097 231 R HA -0.254 4.086 4.340 -0.000 0.000 0.236 231 R C 2.061 178.354 176.300 -0.013 0.000 1.135 231 R CA 2.273 58.366 56.100 -0.011 0.000 0.934 231 R CB -0.258 30.037 30.300 -0.008 0.000 0.846 231 R HN 0.351 nan 8.270 nan 0.000 0.431 232 E N -0.536 119.657 120.200 -0.012 0.000 2.267 232 E HA -0.187 4.163 4.350 -0.000 0.000 0.197 232 E C 1.838 178.427 176.600 -0.017 0.000 0.998 232 E CA 1.224 57.617 56.400 -0.013 0.000 0.830 232 E CB 0.061 29.755 29.700 -0.010 0.000 0.751 232 E HN 0.300 nan 8.360 nan 0.000 0.491 233 M N -0.404 119.185 119.600 -0.018 0.000 2.193 233 M HA -0.008 4.472 4.480 -0.000 0.000 0.265 233 M C 2.155 178.439 176.300 -0.027 0.000 1.071 233 M CA 1.051 56.337 55.300 -0.023 0.000 1.140 233 M CB -0.876 31.710 32.600 -0.022 0.000 1.369 233 M HN 0.155 nan 8.290 nan 0.000 0.423 234 L N 0.023 121.232 121.223 -0.023 0.000 2.030 234 L HA -0.285 4.055 4.340 -0.000 0.000 0.222 234 L C -0.331 176.522 176.870 -0.029 0.000 1.082 234 L CA 2.097 56.922 54.840 -0.024 0.000 0.785 234 L CB -2.402 39.645 42.059 -0.019 0.000 0.895 234 L HN 0.180 nan 8.230 nan 0.000 0.439 235 P HA -0.156 nan 4.420 nan 0.000 0.214 235 P C 1.814 179.086 177.300 -0.047 0.000 1.163 235 P CA 1.489 64.568 63.100 -0.034 0.000 0.889 235 P CB 0.013 31.694 31.700 -0.031 0.000 0.790 236 V N -1.009 118.873 119.914 -0.053 0.000 2.346 236 V HA -0.126 3.994 4.120 -0.000 0.000 0.244 236 V C 2.479 178.524 176.094 -0.082 0.000 1.037 236 V CA 1.053 63.306 62.300 -0.078 0.000 1.029 236 V CB -1.416 30.361 31.823 -0.075 0.000 0.663 236 V HN 0.010 nan 8.190 nan 0.000 0.454 237 L N 0.277 121.466 121.223 -0.056 0.000 2.137 237 L HA -0.253 4.087 4.340 -0.000 0.000 0.213 237 L C 2.631 179.476 176.870 -0.043 0.000 1.085 237 L CA 1.937 56.750 54.840 -0.045 0.000 0.760 237 L CB -0.162 41.877 42.059 -0.033 0.000 0.893 237 L HN 0.420 nan 8.230 nan 0.000 0.434 238 E N -0.100 120.073 120.200 -0.044 0.000 2.028 238 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 238 E C 2.068 178.641 176.600 -0.046 0.000 0.988 238 E CA 1.592 57.970 56.400 -0.037 0.000 0.799 238 E CB -0.286 29.395 29.700 -0.032 0.000 0.755 238 E HN 0.443 nan 8.360 nan 0.000 0.447 239 A N 0.112 122.889 122.820 -0.072 0.000 2.019 239 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 239 A C 2.402 179.918 177.584 -0.114 0.000 1.164 239 A CA 1.645 53.626 52.037 -0.093 0.000 0.644 239 A CB -0.558 18.366 19.000 -0.126 0.000 0.805 239 A HN 0.207 nan 8.150 nan 0.000 0.449 240 V N -0.567 119.272 119.914 -0.126 0.000 2.591 240 V HA -0.128 3.992 4.120 -0.000 0.000 0.249 240 V C 2.914 179.015 176.094 0.013 0.000 1.053 240 V CA 1.524 63.772 62.300 -0.085 0.000 1.068 240 V CB -1.103 30.678 31.823 -0.070 0.000 0.689 240 V HN 0.571 nan 8.190 nan 0.000 0.462 241 A N -0.093 122.727 122.820 -0.002 0.000 2.015 241 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 241 A C 2.072 179.669 177.584 0.021 0.000 1.163 241 A CA 1.373 53.419 52.037 0.015 0.000 0.646 241 A CB -0.274 18.728 19.000 0.002 0.000 0.806 241 A HN 0.548 nan 8.150 nan 0.000 0.448 242 K N -0.907 119.500 120.400 0.011 0.000 2.397 242 K HA 0.404 4.724 4.320 -0.000 0.000 0.202 242 K C 1.018 177.638 176.600 0.034 0.000 1.022 242 K CA 0.419 56.716 56.287 0.017 0.000 1.141 242 K CB 0.398 32.900 32.500 0.003 0.000 0.857 242 K HN 0.386 nan 8.250 nan 0.000 0.514 243 A N -0.145 122.710 122.820 0.058 0.000 2.211 243 A HA 0.394 4.714 4.320 -0.000 0.000 0.208 243 A C 1.457 179.117 177.584 0.127 0.000 1.250 243 A CA 0.699 52.801 52.037 0.109 0.000 0.935 243 A CB 0.243 19.345 19.000 0.170 0.000 0.982 243 A HN 0.321 nan 8.150 nan 0.000 0.490 244 G N 0.104 108.969 108.800 0.108 0.000 2.579 244 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.222 244 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.222 244 G C 0.442 175.407 174.900 0.110 0.000 1.201 244 G CA 0.397 45.551 45.100 0.090 0.000 0.710 244 G HN 0.569 nan 8.290 nan 0.000 0.516 245 K N 2.406 122.897 120.400 0.151 0.000 2.485 245 K HA 0.385 4.705 4.320 -0.000 0.000 0.277 245 K C -1.959 174.751 176.600 0.183 0.000 0.990 245 K CA -0.696 55.665 56.287 0.124 0.000 0.994 245 K CB 0.522 33.038 32.500 0.028 0.000 0.906 245 K HN 0.240 nan 8.250 nan 0.000 0.488 246 P HA 0.081 nan 4.420 nan 0.000 0.275 246 P C -1.287 176.137 177.300 0.206 0.000 1.270 246 P CA -0.459 62.735 63.100 0.157 0.000 0.791 246 P CB 0.459 32.239 31.700 0.133 0.000 1.089 247 L N 0.211 121.546 121.223 0.187 0.000 2.470 247 L HA 0.555 4.894 4.340 -0.000 0.000 0.268 247 L C -1.753 175.208 176.870 0.153 0.000 0.964 247 L CA -0.847 54.105 54.840 0.187 0.000 0.839 247 L CB 1.659 43.808 42.059 0.149 0.000 1.276 247 L HN 0.098 nan 8.230 nan 0.000 0.403 248 L N 5.898 127.214 121.223 0.154 0.000 2.307 248 L HA 0.680 5.020 4.340 -0.000 0.000 0.282 248 L C -1.114 175.825 176.870 0.114 0.000 1.051 248 L CA 0.109 55.035 54.840 0.144 0.000 0.804 248 L CB 1.264 43.414 42.059 0.152 0.000 1.197 248 L HN 0.613 nan 8.230 nan 0.000 0.431 249 I N 6.555 127.183 120.570 0.097 0.000 2.390 249 I HA 0.350 4.520 4.170 -0.000 0.000 0.283 249 I C -0.630 175.539 176.117 0.086 0.000 1.016 249 I CA -0.080 61.264 61.300 0.072 0.000 1.151 249 I CB 1.124 39.148 38.000 0.040 0.000 1.293 249 I HN 0.467 nan 8.210 nan 0.000 0.458 250 I N 6.337 126.955 120.570 0.081 0.000 2.310 250 I HA 0.559 4.729 4.170 -0.000 0.000 0.287 250 I C 0.533 176.672 176.117 0.036 0.000 1.073 250 I CA 0.010 61.356 61.300 0.077 0.000 1.216 250 I CB 0.683 38.723 38.000 0.067 0.000 1.415 250 I HN 0.606 nan 8.210 nan 0.000 0.480 251 A N 4.534 127.379 122.820 0.041 0.000 2.309 251 A HA 0.427 4.747 4.320 -0.000 0.000 0.317 251 A C 1.106 178.703 177.584 0.023 0.000 1.134 251 A CA -0.519 51.532 52.037 0.024 0.000 0.866 251 A CB 0.991 20.007 19.000 0.025 0.000 1.329 251 A HN 0.720 nan 8.150 nan 0.000 0.477 252 E N -0.610 119.599 120.200 0.015 0.000 2.085 252 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 252 E C -0.326 176.295 176.600 0.033 0.000 0.994 252 E CA 1.464 57.876 56.400 0.020 0.000 0.801 252 E CB 0.161 29.871 29.700 0.016 0.000 0.743 252 E HN 0.615 nan 8.360 nan 0.000 0.453 253 D N -1.566 118.854 120.400 0.033 0.000 2.685 253 D HA 0.195 4.835 4.640 -0.000 0.000 0.236 253 D C -1.796 174.524 176.300 0.033 0.000 1.233 253 D CA -0.455 53.568 54.000 0.038 0.000 0.760 253 D CB 2.270 43.092 40.800 0.036 0.000 1.410 253 D HN -0.104 nan 8.370 nan 0.000 0.439 254 V N 2.612 122.549 119.914 0.037 0.000 2.525 254 V HA 0.501 4.621 4.120 -0.000 0.000 0.299 254 V C 0.168 176.280 176.094 0.031 0.000 1.034 254 V CA -0.502 61.816 62.300 0.029 0.000 0.863 254 V CB 1.669 33.508 31.823 0.028 0.000 0.999 254 V HN 0.648 nan 8.190 nan 0.000 0.423 255 E N 3.213 123.427 120.200 0.024 0.000 2.296 255 E HA 0.784 5.134 4.350 -0.000 0.000 0.224 255 E C 0.530 177.141 176.600 0.019 0.000 0.949 255 E CA -0.392 56.023 56.400 0.025 0.000 0.879 255 E CB 1.027 30.742 29.700 0.026 0.000 1.922 255 E HN 1.121 nan 8.360 nan 0.000 0.437 256 G N 0.989 109.800 108.800 0.019 0.000 2.581 256 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.291 256 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.291 256 G C 0.628 175.535 174.900 0.012 0.000 1.277 256 G CA 1.103 46.211 45.100 0.014 0.000 0.959 256 G HN 0.792 nan 8.290 nan 0.000 0.554 257 E N 0.208 120.412 120.200 0.007 0.000 2.208 257 E HA 0.364 4.714 4.350 -0.000 0.000 0.193 257 E C 2.703 179.302 176.600 -0.002 0.000 0.988 257 E CA 2.099 58.501 56.400 0.002 0.000 0.828 257 E CB -0.740 28.959 29.700 -0.001 0.000 0.763 257 E HN 1.294 nan 8.360 nan 0.000 0.478 258 A N 1.669 124.488 122.820 -0.002 0.000 1.869 258 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 258 A C 2.223 179.800 177.584 -0.011 0.000 1.203 258 A CA 1.924 53.957 52.037 -0.007 0.000 0.638 258 A CB -1.051 17.947 19.000 -0.004 0.000 0.831 258 A HN 0.325 nan 8.150 nan 0.000 0.450 259 L N -0.401 120.821 121.223 -0.001 0.000 2.012 259 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 259 L C 2.780 179.651 176.870 0.000 0.000 1.073 259 L CA 2.473 57.314 54.840 0.001 0.000 0.748 259 L CB -0.893 41.179 42.059 0.022 0.000 0.891 259 L HN 0.401 nan 8.230 nan 0.000 0.431 260 A N -1.225 121.601 122.820 0.010 0.000 1.908 260 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 260 A C 2.342 179.920 177.584 -0.009 0.000 1.181 260 A CA 2.792 54.835 52.037 0.010 0.000 0.627 260 A CB -1.429 17.576 19.000 0.010 0.000 0.818 260 A HN 0.649 nan 8.150 nan 0.000 0.445 261 T N -1.244 113.300 114.554 -0.017 0.000 2.737 261 T HA -0.074 4.276 4.350 -0.000 0.000 0.265 261 T C 1.841 176.516 174.700 -0.041 0.000 1.038 261 T CA 1.315 63.400 62.100 -0.026 0.000 1.144 261 T CB -0.729 68.126 68.868 -0.023 0.000 0.866 261 T HN 0.266 nan 8.240 nan 0.000 0.434 262 L N 1.099 122.290 121.223 -0.054 0.000 2.089 262 L HA -0.161 4.179 4.340 -0.000 0.000 0.213 262 L C 2.899 179.694 176.870 -0.126 0.000 1.079 262 L CA 1.156 55.939 54.840 -0.096 0.000 0.758 262 L CB -0.899 41.091 42.059 -0.115 0.000 0.891 262 L HN 0.206 nan 8.230 nan 0.000 0.433 263 V N -0.814 119.050 119.914 -0.083 0.000 2.233 263 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 263 V C 2.367 178.440 176.094 -0.035 0.000 1.050 263 V CA 1.910 64.180 62.300 -0.051 0.000 1.010 263 V CB -0.696 31.137 31.823 0.016 0.000 0.637 263 V HN 0.283 nan 8.190 nan 0.000 0.444 264 V N 0.725 120.619 119.914 -0.033 0.000 2.688 264 V HA -0.229 3.891 4.120 -0.000 0.000 0.256 264 V C 2.170 178.251 176.094 -0.021 0.000 1.084 264 V CA 1.937 64.220 62.300 -0.028 0.000 1.103 264 V CB -1.151 30.655 31.823 -0.030 0.000 0.688 264 V HN 0.578 nan 8.190 nan 0.000 0.480 265 N N 0.415 119.096 118.700 -0.033 0.000 2.207 265 N HA -0.086 4.654 4.740 -0.000 0.000 0.182 265 N C 1.910 177.413 175.510 -0.011 0.000 1.020 265 N CA 1.862 54.896 53.050 -0.027 0.000 0.858 265 N CB -0.105 38.357 38.487 -0.041 0.000 0.991 265 N HN 0.486 nan 8.380 nan 0.000 0.427 266 T N 1.463 116.005 114.554 -0.020 0.000 2.978 266 T HA 0.097 4.447 4.350 -0.000 0.000 0.262 266 T C 1.938 176.695 174.700 0.094 0.000 1.063 266 T CA 0.201 62.332 62.100 0.052 0.000 1.140 266 T CB 0.131 69.033 68.868 0.057 0.000 0.886 266 T HN 0.125 nan 8.240 nan 0.000 0.470 267 M N 0.744 120.383 119.600 0.066 0.000 2.195 267 M HA -0.132 4.348 4.480 -0.000 0.000 0.260 267 M C 2.379 178.701 176.300 0.036 0.000 1.066 267 M CA 1.557 56.891 55.300 0.057 0.000 1.089 267 M CB -0.062 32.553 32.600 0.024 0.000 1.377 267 M HN 0.059 nan 8.290 nan 0.000 0.411 268 R N -0.857 119.658 120.500 0.025 0.000 2.140 268 R HA 0.037 4.377 4.340 -0.000 0.000 0.213 268 R C 0.993 177.309 176.300 0.025 0.000 1.059 268 R CA 1.205 57.316 56.100 0.017 0.000 1.000 268 R CB 0.281 30.585 30.300 0.007 0.000 0.910 268 R HN 0.532 nan 8.270 nan 0.000 0.455 269 G N -0.050 108.772 108.800 0.037 0.000 2.135 269 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.183 269 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.183 269 G C 0.498 175.419 174.900 0.035 0.000 1.004 269 G CA 0.152 45.278 45.100 0.043 0.000 0.677 269 G HN 0.152 nan 8.290 nan 0.000 0.512 270 I N -0.113 120.473 120.570 0.026 0.000 2.193 270 I HA 0.084 4.254 4.170 -0.000 0.000 0.240 270 I C 1.564 177.696 176.117 0.026 0.000 1.084 270 I CA 2.270 63.582 61.300 0.019 0.000 1.365 270 I CB -1.345 36.658 38.000 0.007 0.000 1.064 270 I HN 0.553 nan 8.210 nan 0.000 0.410 271 V N -1.912 118.019 119.914 0.028 0.000 3.114 271 V HA 0.499 4.619 4.120 -0.000 0.000 0.308 271 V C -0.473 175.659 176.094 0.063 0.000 1.168 271 V CA -1.249 61.075 62.300 0.040 0.000 1.015 271 V CB 2.516 34.350 31.823 0.019 0.000 1.050 271 V HN 0.043 nan 8.190 nan 0.000 0.433 272 K N 1.844 122.307 120.400 0.104 0.000 2.334 272 K HA 0.717 5.037 4.320 -0.000 0.000 0.265 272 K C -1.000 175.699 176.600 0.165 0.000 1.039 272 K CA -0.440 55.964 56.287 0.195 0.000 0.920 272 K CB 1.501 34.138 32.500 0.227 0.000 1.160 272 K HN 0.935 nan 8.250 nan 0.000 0.451 273 V N 0.290 120.178 119.914 -0.043 0.000 2.577 273 V HA 0.826 4.946 4.120 -0.000 0.000 0.303 273 V C -0.598 175.194 176.094 -0.504 0.000 1.042 273 V CA -1.062 61.144 62.300 -0.157 0.000 0.872 273 V CB 1.520 33.257 31.823 -0.143 0.000 0.998 273 V HN 0.656 nan 8.190 nan 0.000 0.423 274 A N 3.509 126.296 122.820 -0.056 0.000 2.320 274 A HA 1.036 5.356 4.320 -0.000 0.000 0.334 274 A C 0.094 177.710 177.584 0.054 0.000 1.147 274 A CA -0.297 51.792 52.037 0.087 0.000 0.820 274 A CB 1.722 20.984 19.000 0.438 0.000 1.218 274 A HN 2.355 nan 8.150 nan 0.000 0.482 275 A N 1.138 124.009 122.820 0.085 0.000 2.357 275 A HA 0.660 4.980 4.320 -0.000 0.000 0.295 275 A C -0.605 177.061 177.584 0.137 0.000 1.121 275 A CA -0.240 51.847 52.037 0.083 0.000 0.742 275 A CB 0.788 19.808 19.000 0.033 0.000 1.181 275 A HN 2.113 nan 8.150 nan 0.000 0.454 276 V N 0.105 120.101 119.914 0.138 0.000 2.841 276 V HA 0.596 4.716 4.120 -0.000 0.000 0.310 276 V C -0.175 176.005 176.094 0.143 0.000 1.090 276 V CA -1.242 61.147 62.300 0.149 0.000 0.930 276 V CB 1.338 33.266 31.823 0.174 0.000 1.014 276 V HN 0.841 nan 8.190 nan 0.000 0.425 277 K N 1.750 122.227 120.400 0.129 0.000 2.188 277 K HA 0.593 4.913 4.320 -0.000 0.000 0.246 277 K C 0.437 177.115 176.600 0.130 0.000 1.026 277 K CA 0.346 56.699 56.287 0.110 0.000 0.871 277 K CB 0.493 33.050 32.500 0.095 0.000 1.042 277 K HN 1.100 nan 8.250 nan 0.000 0.509 278 A N 2.358 125.215 122.820 0.062 0.000 2.327 278 A HA 0.296 4.616 4.320 -0.000 0.000 0.283 278 A C -2.205 175.362 177.584 -0.027 0.000 1.127 278 A CA -1.499 50.529 52.037 -0.015 0.000 0.810 278 A CB -0.045 18.925 19.000 -0.049 0.000 1.066 278 A HN 0.405 nan 8.150 nan 0.000 0.492 279 P HA 0.413 nan 4.420 nan 0.000 0.269 279 P C 0.527 177.688 177.300 -0.232 0.000 1.252 279 P CA 1.364 64.389 63.100 -0.125 0.000 0.780 279 P CB 0.422 31.919 31.700 -0.338 0.000 0.829 280 G N 2.954 111.577 108.800 -0.296 0.000 2.396 280 G HA2 0.200 4.160 3.960 -0.000 0.000 0.254 280 G HA3 0.200 4.160 3.960 -0.000 0.000 0.254 280 G C -1.506 173.087 174.900 -0.513 0.000 1.248 280 G CA -0.656 43.995 45.100 -0.749 0.000 1.033 280 G HN 0.484 nan 8.290 nan 0.000 0.502 281 F N -2.050 117.915 119.950 0.024 0.000 2.672 281 F HA 0.722 5.249 4.527 0.000 0.000 0.311 281 F C 0.867 176.682 175.800 0.025 0.000 1.113 281 F CA 0.041 58.056 58.000 0.024 0.000 0.996 281 F CB 0.843 39.861 39.000 0.029 0.000 1.286 281 F HN 2.397 nan 8.300 nan 0.000 0.441 282 G N 1.738 110.668 108.800 0.216 0.000 2.566 282 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.280 282 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.280 282 G C 0.249 175.194 174.900 0.076 0.000 1.225 282 G CA 0.726 45.911 45.100 0.141 0.000 0.966 282 G HN 0.809 nan 8.290 nan 0.000 0.560 283 D N 0.053 120.495 120.400 0.069 0.000 2.269 283 D HA 0.019 4.659 4.640 -0.000 0.000 0.208 283 D C 2.412 178.712 176.300 0.000 0.000 0.963 283 D CA 0.822 54.840 54.000 0.031 0.000 0.864 283 D CB -0.116 40.705 40.800 0.035 0.000 0.936 283 D HN 0.419 nan 8.370 nan 0.000 0.505 284 R N 0.380 120.881 120.500 0.002 0.000 2.115 284 R HA -0.050 4.290 4.340 -0.000 0.000 0.230 284 R C 2.212 178.432 176.300 -0.134 0.000 1.111 284 R CA 0.743 56.801 56.100 -0.070 0.000 0.976 284 R CB 0.111 30.358 30.300 -0.087 0.000 0.870 284 R HN 0.078 nan 8.270 nan 0.000 0.445 285 R N 1.238 121.659 120.500 -0.132 0.000 2.082 285 R HA -0.186 4.154 4.340 -0.000 0.000 0.234 285 R C 1.733 177.966 176.300 -0.112 0.000 1.136 285 R CA 2.172 58.186 56.100 -0.144 0.000 0.935 285 R CB -0.090 30.156 30.300 -0.089 0.000 0.842 285 R HN 0.112 nan 8.270 nan 0.000 0.430 286 K N 0.216 120.574 120.400 -0.070 0.000 2.147 286 K HA -0.071 4.249 4.320 -0.000 0.000 0.205 286 K C 2.157 178.716 176.600 -0.067 0.000 1.049 286 K CA 1.322 57.574 56.287 -0.059 0.000 0.936 286 K CB -0.201 32.279 32.500 -0.034 0.000 0.722 286 K HN 0.281 nan 8.250 nan 0.000 0.446 287 A N 1.703 124.481 122.820 -0.070 0.000 1.851 287 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 287 A C 2.223 179.751 177.584 -0.094 0.000 1.195 287 A CA 1.584 53.577 52.037 -0.073 0.000 0.622 287 A CB -0.479 18.479 19.000 -0.070 0.000 0.831 287 A HN 0.164 nan 8.150 nan 0.000 0.444 288 M N -1.418 118.106 119.600 -0.126 0.000 2.175 288 M HA -0.100 4.380 4.480 -0.000 0.000 0.264 288 M C 2.198 178.392 176.300 -0.176 0.000 1.063 288 M CA 1.153 56.359 55.300 -0.158 0.000 1.119 288 M CB -0.502 31.977 32.600 -0.203 0.000 1.377 288 M HN 0.452 nan 8.290 nan 0.000 0.415 289 L N 0.703 121.828 121.223 -0.163 0.000 2.083 289 L HA -0.217 4.123 4.340 -0.000 0.000 0.209 289 L C 2.451 179.255 176.870 -0.109 0.000 1.083 289 L CA 1.869 56.617 54.840 -0.153 0.000 0.752 289 L CB -0.739 41.249 42.059 -0.117 0.000 0.899 289 L HN 0.259 nan 8.230 nan 0.000 0.433 290 Q N -0.181 119.568 119.800 -0.085 0.000 2.084 290 Q HA -0.221 4.119 4.340 -0.000 0.000 0.202 290 Q C 1.743 177.706 176.000 -0.061 0.000 0.978 290 Q CA 2.146 57.913 55.803 -0.061 0.000 0.844 290 Q CB -0.423 28.285 28.738 -0.050 0.000 0.898 290 Q HN 0.538 nan 8.270 nan 0.000 0.426 291 D N -0.162 120.193 120.400 -0.075 0.000 2.133 291 D HA -0.182 4.458 4.640 -0.000 0.000 0.195 291 D C 1.768 178.031 176.300 -0.062 0.000 0.997 291 D CA 1.634 55.594 54.000 -0.067 0.000 0.840 291 D CB -0.236 40.516 40.800 -0.080 0.000 0.947 291 D HN 0.405 nan 8.370 nan 0.000 0.452 292 I N 0.711 121.230 120.570 -0.086 0.000 2.315 292 I HA -0.227 3.943 4.170 -0.000 0.000 0.248 292 I C 2.415 178.512 176.117 -0.033 0.000 1.117 292 I CA 0.979 62.237 61.300 -0.070 0.000 1.404 292 I CB -0.240 37.687 38.000 -0.122 0.000 1.071 292 I HN -0.054 nan 8.210 nan 0.000 0.419 293 A N 0.542 123.341 122.820 -0.034 0.000 1.908 293 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 293 A C 2.411 179.991 177.584 -0.007 0.000 1.181 293 A CA 2.530 54.559 52.037 -0.014 0.000 0.627 293 A CB -1.185 17.805 19.000 -0.017 0.000 0.818 293 A HN 0.413 nan 8.150 nan 0.000 0.445 294 T N 0.042 114.587 114.554 -0.015 0.000 2.708 294 T HA -0.148 4.202 4.350 -0.000 0.000 0.266 294 T C 1.762 176.459 174.700 -0.005 0.000 1.037 294 T CA 1.522 63.616 62.100 -0.010 0.000 1.146 294 T CB -0.370 68.488 68.868 -0.016 0.000 0.865 294 T HN 0.310 nan 8.240 nan 0.000 0.435 295 L N 1.848 123.068 121.223 -0.005 0.000 2.362 295 L HA 0.022 4.362 4.340 -0.000 0.000 0.219 295 L C 2.171 179.046 176.870 0.008 0.000 1.134 295 L CA 1.624 56.465 54.840 0.001 0.000 0.807 295 L CB -0.650 41.411 42.059 0.003 0.000 0.927 295 L HN 0.444 nan 8.230 nan 0.000 0.447 296 T N -5.331 109.230 114.554 0.011 0.000 3.003 296 T HA 0.377 4.727 4.350 -0.000 0.000 0.261 296 T C 1.259 175.974 174.700 0.024 0.000 1.003 296 T CA 0.187 62.299 62.100 0.019 0.000 0.917 296 T CB 0.132 69.018 68.868 0.031 0.000 1.084 296 T HN 0.437 nan 8.240 nan 0.000 0.522 297 G N 0.734 109.546 108.800 0.020 0.000 2.225 297 G HA2 0.117 4.077 3.960 -0.000 0.000 0.264 297 G HA3 0.117 4.077 3.960 -0.000 0.000 0.264 297 G C 0.268 175.189 174.900 0.036 0.000 1.060 297 G CA -0.178 44.936 45.100 0.024 0.000 0.833 297 G HN 1.051 nan 8.290 nan 0.000 0.498 298 G N -1.618 107.201 108.800 0.032 0.000 2.644 298 G HA2 0.804 4.764 3.960 -0.000 0.000 0.307 298 G HA3 0.804 4.764 3.960 -0.000 0.000 0.307 298 G C -0.446 174.465 174.900 0.018 0.000 1.250 298 G CA 0.090 45.212 45.100 0.037 0.000 0.996 298 G HN 0.600 nan 8.290 nan 0.000 0.489 299 T N 0.400 114.963 114.554 0.015 0.000 2.797 299 T HA 0.417 4.767 4.350 -0.000 0.000 0.279 299 T C 0.169 174.869 174.700 -0.001 0.000 0.991 299 T CA -0.288 61.814 62.100 0.004 0.000 0.979 299 T CB 1.663 70.533 68.868 0.002 0.000 0.943 299 T HN 0.362 nan 8.240 nan 0.000 0.444 300 V N 4.303 124.212 119.914 -0.008 0.000 2.485 300 V HA 0.113 4.233 4.120 -0.000 0.000 0.287 300 V C 0.408 176.496 176.094 -0.011 0.000 1.022 300 V CA -0.241 62.051 62.300 -0.013 0.000 1.067 300 V CB -0.310 31.501 31.823 -0.021 0.000 0.967 300 V HN 0.732 nan 8.190 nan 0.000 0.479 301 I N 4.872 125.436 120.570 -0.009 0.000 2.243 301 I HA 0.096 4.266 4.170 -0.000 0.000 0.297 301 I C 0.842 176.954 176.117 -0.009 0.000 1.161 301 I CA 0.970 62.264 61.300 -0.009 0.000 1.298 301 I CB 0.690 38.685 38.000 -0.008 0.000 1.475 301 I HN 0.620 nan 8.210 nan 0.000 0.561 302 S N 4.361 120.055 115.700 -0.009 0.000 2.430 302 S HA 0.172 4.642 4.470 -0.000 0.000 0.289 302 S C 1.274 175.870 174.600 -0.007 0.000 1.143 302 S CA -0.507 57.688 58.200 -0.009 0.000 1.067 302 S CB 0.533 63.727 63.200 -0.010 0.000 0.964 302 S HN 0.691 nan 8.310 nan 0.000 0.485 303 E N 3.320 123.517 120.200 -0.005 0.000 2.153 303 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 303 E C 1.307 177.905 176.600 -0.003 0.000 0.988 303 E CA 1.265 57.663 56.400 -0.004 0.000 0.811 303 E CB 0.128 29.827 29.700 -0.002 0.000 0.746 303 E HN 0.839 nan 8.360 nan 0.000 0.466 304 E N 0.417 120.615 120.200 -0.003 0.000 2.077 304 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 304 E C 1.619 178.218 176.600 -0.003 0.000 0.989 304 E CA 1.228 57.627 56.400 -0.002 0.000 0.800 304 E CB -0.292 29.407 29.700 -0.001 0.000 0.746 304 E HN 0.439 nan 8.360 nan 0.000 0.452 305 I N -2.049 118.519 120.570 -0.004 0.000 3.595 305 I HA 0.417 4.587 4.170 -0.000 0.000 0.336 305 I C 0.446 176.560 176.117 -0.004 0.000 1.402 305 I CA -0.241 61.057 61.300 -0.004 0.000 1.223 305 I CB -0.302 37.694 38.000 -0.005 0.000 1.455 305 I HN 0.053 nan 8.210 nan 0.000 0.456 306 G N 2.706 111.504 108.800 -0.004 0.000 2.333 306 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.296 306 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.296 306 G C -0.346 174.551 174.900 -0.005 0.000 1.059 306 G CA 0.084 45.182 45.100 -0.004 0.000 1.050 306 G HN 0.578 nan 8.290 nan 0.000 0.508 307 M N -0.412 119.184 119.600 -0.005 0.000 2.386 307 M HA 0.378 4.858 4.480 -0.000 0.000 0.293 307 M C -0.259 176.037 176.300 -0.007 0.000 1.120 307 M CA -0.619 54.677 55.300 -0.007 0.000 0.909 307 M CB 2.343 34.938 32.600 -0.007 0.000 1.661 307 M HN 0.267 nan 8.290 nan 0.000 0.452 308 E N 1.425 121.621 120.200 -0.008 0.000 2.214 308 E HA 0.219 4.569 4.350 -0.000 0.000 0.274 308 E C 0.201 176.795 176.600 -0.010 0.000 0.977 308 E CA -0.581 55.814 56.400 -0.008 0.000 0.827 308 E CB 2.169 31.864 29.700 -0.008 0.000 1.130 308 E HN 0.493 nan 8.360 nan 0.000 0.394 309 L N 2.594 123.811 121.223 -0.010 0.000 2.275 309 L HA -0.130 4.210 4.340 -0.000 0.000 0.215 309 L C 1.471 178.331 176.870 -0.016 0.000 1.119 309 L CA 1.802 56.634 54.840 -0.012 0.000 0.790 309 L CB -0.209 41.844 42.059 -0.010 0.000 0.919 309 L HN 0.575 nan 8.230 nan 0.000 0.443 310 E N -0.356 119.834 120.200 -0.015 0.000 2.230 310 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 310 E C 1.461 178.048 176.600 -0.020 0.000 0.987 310 E CA 0.786 57.175 56.400 -0.018 0.000 0.841 310 E CB -0.124 29.567 29.700 -0.015 0.000 0.783 310 E HN 0.582 nan 8.360 nan 0.000 0.481 311 K N 1.266 121.656 120.400 -0.018 0.000 2.505 311 K HA 0.276 4.596 4.320 -0.000 0.000 0.192 311 K C 0.498 177.085 176.600 -0.022 0.000 1.025 311 K CA 0.016 56.292 56.287 -0.018 0.000 1.086 311 K CB 0.354 32.846 32.500 -0.014 0.000 0.840 311 K HN -0.073 nan 8.250 nan 0.000 0.514 312 A N 1.530 124.335 122.820 -0.026 0.000 2.340 312 A HA 0.380 4.700 4.320 -0.000 0.000 0.268 312 A C 0.214 177.771 177.584 -0.045 0.000 1.100 312 A CA -0.255 51.763 52.037 -0.032 0.000 0.803 312 A CB 0.491 19.472 19.000 -0.032 0.000 1.043 312 A HN 0.498 nan 8.150 nan 0.000 0.488 313 T N -0.912 113.611 114.554 -0.051 0.000 2.773 313 T HA 0.510 4.860 4.350 -0.000 0.000 0.278 313 T C 1.027 175.665 174.700 -0.104 0.000 1.011 313 T CA -0.691 61.366 62.100 -0.072 0.000 1.014 313 T CB 0.424 69.260 68.868 -0.052 0.000 1.293 313 T HN 0.312 nan 8.240 nan 0.000 0.554 314 L N 0.238 121.373 121.223 -0.147 0.000 2.189 314 L HA -0.108 4.232 4.340 -0.000 0.000 0.214 314 L C 2.856 179.673 176.870 -0.089 0.000 1.097 314 L CA 1.786 56.490 54.840 -0.227 0.000 0.764 314 L CB -0.628 41.281 42.059 -0.249 0.000 0.900 314 L HN 0.864 nan 8.230 nan 0.000 0.436 315 E N 0.841 121.018 120.200 -0.040 0.000 2.086 315 E HA -0.269 4.081 4.350 -0.000 0.000 0.200 315 E C 1.471 178.079 176.600 0.013 0.000 1.012 315 E CA 2.034 58.435 56.400 0.001 0.000 0.812 315 E CB -0.052 29.645 29.700 -0.005 0.000 0.743 315 E HN 0.480 nan 8.360 nan 0.000 0.453 316 D N -0.180 120.218 120.400 -0.005 0.000 2.349 316 D HA -0.004 4.636 4.640 -0.000 0.000 0.224 316 D C 0.166 176.480 176.300 0.024 0.000 1.029 316 D CA 0.178 54.182 54.000 0.006 0.000 0.879 316 D CB 0.140 40.936 40.800 -0.007 0.000 0.906 316 D HN 0.264 nan 8.370 nan 0.000 0.528 317 L N 1.299 122.544 121.223 0.036 0.000 2.349 317 L HA 0.308 4.648 4.340 -0.000 0.000 0.275 317 L C 1.351 178.323 176.870 0.170 0.000 1.115 317 L CA -0.595 54.304 54.840 0.098 0.000 0.820 317 L CB 1.282 43.390 42.059 0.082 0.000 1.135 317 L HN -0.112 nan 8.230 nan 0.000 0.445 318 G N 2.374 111.259 108.800 0.142 0.000 2.616 318 G HA2 0.406 4.366 3.960 -0.000 0.000 0.268 318 G HA3 0.406 4.366 3.960 -0.000 0.000 0.268 318 G C -0.768 174.214 174.900 0.136 0.000 1.213 318 G CA -0.270 44.899 45.100 0.115 0.000 0.926 318 G HN 0.629 nan 8.290 nan 0.000 0.523 319 Q N -1.352 118.479 119.800 0.052 0.000 2.340 319 Q HA 0.580 4.920 4.340 -0.000 0.000 0.276 319 Q C -0.811 175.169 176.000 -0.034 0.000 1.048 319 Q CA -0.743 55.039 55.803 -0.036 0.000 0.832 319 Q CB 2.533 31.203 28.738 -0.113 0.000 1.373 319 Q HN 0.831 nan 8.270 nan 0.000 0.409 320 A N 1.145 123.934 122.820 -0.052 0.000 2.479 320 A HA 0.448 4.768 4.320 -0.000 0.000 0.296 320 A C -0.041 177.515 177.584 -0.046 0.000 1.121 320 A CA -0.573 51.447 52.037 -0.029 0.000 0.743 320 A CB 1.679 20.681 19.000 0.003 0.000 1.323 320 A HN 0.787 nan 8.150 nan 0.000 0.415 321 K N -0.508 119.874 120.400 -0.030 0.000 2.057 321 K HA 0.037 4.357 4.320 -0.000 0.000 0.206 321 K C 0.541 177.125 176.600 -0.026 0.000 1.050 321 K CA 1.255 57.524 56.287 -0.031 0.000 0.935 321 K CB 0.052 32.539 32.500 -0.021 0.000 0.715 321 K HN 0.610 nan 8.250 nan 0.000 0.439 322 R N -0.975 119.517 120.500 -0.014 0.000 2.692 322 R HA 0.351 4.691 4.340 -0.000 0.000 0.269 322 R C -1.983 174.320 176.300 0.005 0.000 1.030 322 R CA -0.741 55.354 56.100 -0.008 0.000 0.882 322 R CB 2.456 32.750 30.300 -0.011 0.000 1.250 322 R HN -0.113 nan 8.270 nan 0.000 0.465 323 V N 2.157 122.076 119.914 0.009 0.000 2.760 323 V HA 0.536 4.656 4.120 -0.000 0.000 0.309 323 V C -1.048 175.049 176.094 0.005 0.000 1.077 323 V CA -0.765 61.547 62.300 0.020 0.000 0.910 323 V CB 2.213 34.066 31.823 0.049 0.000 1.008 323 V HN 0.439 nan 8.190 nan 0.000 0.424 324 V N 5.989 125.899 119.914 -0.006 0.000 2.443 324 V HA 0.588 4.708 4.120 -0.000 0.000 0.293 324 V C -0.682 175.392 176.094 -0.033 0.000 1.021 324 V CA -0.307 61.981 62.300 -0.020 0.000 0.848 324 V CB 1.701 33.508 31.823 -0.028 0.000 0.998 324 V HN 0.728 nan 8.190 nan 0.000 0.424 325 I N 5.374 125.942 120.570 -0.003 0.000 2.447 325 I HA 0.524 4.694 4.170 -0.000 0.000 0.287 325 I C -0.184 175.969 176.117 0.060 0.000 1.023 325 I CA -0.387 60.918 61.300 0.008 0.000 1.083 325 I CB 1.970 40.029 38.000 0.099 0.000 1.245 325 I HN 0.796 nan 8.210 nan 0.000 0.434 326 N N 4.499 123.161 118.700 -0.063 0.000 2.815 326 N HA 0.349 5.089 4.740 -0.000 0.000 0.315 326 N C 0.598 175.779 175.510 -0.548 0.000 1.320 326 N CA -1.044 51.944 53.050 -0.104 0.000 0.846 326 N CB 0.647 39.092 38.487 -0.071 0.000 1.344 326 N HN 0.459 nan 8.380 nan 0.000 0.593 327 K N -1.236 118.792 120.400 -0.620 0.000 2.286 327 K HA -0.186 4.134 4.320 -0.000 0.000 0.203 327 K C -0.310 176.018 176.600 -0.454 0.000 1.045 327 K CA 1.785 57.617 56.287 -0.758 0.000 0.935 327 K CB -0.131 32.186 32.500 -0.303 0.000 0.737 327 K HN 0.575 nan 8.250 nan 0.000 0.460 328 D N -0.719 119.497 120.400 -0.306 0.000 2.504 328 D HA 0.016 4.656 4.640 -0.000 0.000 0.276 328 D C 0.188 176.371 176.300 -0.194 0.000 1.073 328 D CA 0.651 54.532 54.000 -0.198 0.000 0.905 328 D CB 0.975 41.698 40.800 -0.129 0.000 1.350 328 D HN 0.277 nan 8.370 nan 0.000 0.496 329 T N -0.912 113.508 114.554 -0.223 0.000 2.909 329 T HA 0.604 4.954 4.350 -0.000 0.000 0.299 329 T C -0.421 174.076 174.700 -0.338 0.000 1.073 329 T CA -0.627 61.311 62.100 -0.269 0.000 0.999 329 T CB 2.486 71.237 68.868 -0.196 0.000 1.098 329 T HN -0.315 nan 8.240 nan 0.000 0.477 330 T N 2.301 116.502 114.554 -0.589 0.000 2.829 330 T HA 0.681 5.031 4.350 -0.000 0.000 0.280 330 T C -0.555 173.845 174.700 -0.501 0.000 0.999 330 T CA -0.558 61.193 62.100 -0.580 0.000 0.983 330 T CB 1.532 69.928 68.868 -0.786 0.000 0.968 330 T HN 0.797 nan 8.240 nan 0.000 0.446 331 T N 3.163 117.597 114.554 -0.201 0.000 2.848 331 T HA 0.557 4.907 4.350 -0.000 0.000 0.285 331 T C -0.306 174.400 174.700 0.011 0.000 0.995 331 T CA -0.495 61.561 62.100 -0.073 0.000 0.970 331 T CB 0.800 69.632 68.868 -0.060 0.000 0.976 331 T HN 0.408 nan 8.240 nan 0.000 0.441 332 I N 3.620 124.231 120.570 0.068 0.000 2.328 332 I HA 0.389 4.559 4.170 -0.000 0.000 0.287 332 I C -0.297 175.845 176.117 0.041 0.000 1.012 332 I CA -0.581 60.761 61.300 0.070 0.000 1.195 332 I CB 0.929 38.993 38.000 0.107 0.000 1.350 332 I HN 0.523 nan 8.210 nan 0.000 0.464 333 I N 6.357 126.941 120.570 0.022 0.000 2.291 333 I HA 0.172 4.342 4.170 -0.000 0.000 0.292 333 I C -0.232 175.890 176.117 0.008 0.000 1.064 333 I CA -0.140 61.167 61.300 0.011 0.000 1.269 333 I CB 0.260 38.261 38.000 0.002 0.000 1.418 333 I HN 0.584 nan 8.210 nan 0.000 0.485 334 D N 5.123 125.529 120.400 0.009 0.000 3.908 334 D HA -0.117 4.523 4.640 -0.000 0.000 0.237 334 D C 0.182 176.482 176.300 0.001 0.000 1.091 334 D CA 0.949 54.951 54.000 0.003 0.000 1.147 334 D CB -0.149 40.649 40.800 -0.002 0.000 0.857 334 D HN 0.752 nan 8.370 nan 0.000 0.410 335 G N 0.959 109.763 108.800 0.006 0.000 2.562 335 G HA2 0.424 4.384 3.960 -0.000 0.000 0.275 335 G HA3 0.424 4.384 3.960 -0.000 0.000 0.275 335 G C 1.469 176.368 174.900 -0.002 0.000 1.196 335 G CA -0.168 44.934 45.100 0.004 0.000 0.908 335 G HN 0.340 nan 8.290 nan 0.000 0.524 336 V N 1.531 121.442 119.914 -0.005 0.000 2.233 336 V HA 0.018 4.138 4.120 -0.000 0.000 0.247 336 V C 2.131 178.225 176.094 -0.000 0.000 1.050 336 V CA 1.973 64.269 62.300 -0.006 0.000 1.010 336 V CB -1.464 30.356 31.823 -0.004 0.000 0.637 336 V HN 1.504 nan 8.190 nan 0.000 0.444 337 G N 1.712 110.515 108.800 0.004 0.000 2.561 337 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.214 337 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.214 337 G C -0.386 174.515 174.900 0.002 0.000 0.124 337 G CA 0.130 45.232 45.100 0.003 0.000 1.129 337 G HN 0.649 nan 8.290 nan 0.000 0.532 338 E N 1.984 122.185 120.200 0.002 0.000 2.585 338 E HA 0.181 4.531 4.350 -0.000 0.000 0.252 338 E C 1.214 177.814 176.600 -0.000 0.000 0.981 338 E CA 0.249 56.650 56.400 0.001 0.000 0.943 338 E CB 0.743 30.444 29.700 0.002 0.000 0.923 338 E HN 0.639 nan 8.360 nan 0.000 0.486 339 E N 3.753 123.952 120.200 -0.001 0.000 2.065 339 E HA -0.281 4.069 4.350 -0.000 0.000 0.201 339 E C 1.776 178.375 176.600 -0.002 0.000 1.016 339 E CA 2.041 58.440 56.400 -0.002 0.000 0.818 339 E CB -0.274 29.425 29.700 -0.002 0.000 0.749 339 E HN 0.603 nan 8.360 nan 0.000 0.453 340 A N 0.411 123.230 122.820 -0.002 0.000 1.933 340 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 340 A C 2.399 179.981 177.584 -0.004 0.000 1.175 340 A CA 2.207 54.242 52.037 -0.003 0.000 0.628 340 A CB -0.883 18.116 19.000 -0.002 0.000 0.814 340 A HN 0.362 nan 8.150 nan 0.000 0.444 341 A N -0.154 122.664 122.820 -0.003 0.000 1.969 341 A HA -0.018 4.302 4.320 -0.000 0.000 0.218 341 A C 2.076 179.656 177.584 -0.006 0.000 1.169 341 A CA 1.360 53.394 52.037 -0.005 0.000 0.635 341 A CB -0.546 18.452 19.000 -0.003 0.000 0.810 341 A HN 0.506 nan 8.150 nan 0.000 0.445 342 I N -0.659 119.908 120.570 -0.006 0.000 2.090 342 I HA -0.323 3.847 4.170 -0.000 0.000 0.236 342 I C 2.689 178.801 176.117 -0.009 0.000 1.064 342 I CA 1.790 63.085 61.300 -0.007 0.000 1.324 342 I CB -0.492 37.505 38.000 -0.005 0.000 1.044 342 I HN 0.358 nan 8.210 nan 0.000 0.399 343 Q N 0.539 120.335 119.800 -0.007 0.000 2.291 343 Q HA -0.074 4.266 4.340 -0.000 0.000 0.205 343 Q C 2.235 178.230 176.000 -0.009 0.000 0.970 343 Q CA 1.230 57.029 55.803 -0.008 0.000 0.876 343 Q CB -0.298 28.436 28.738 -0.006 0.000 0.935 343 Q HN 0.646 nan 8.270 nan 0.000 0.455 344 G N 0.774 109.569 108.800 -0.008 0.000 2.404 344 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.215 344 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.215 344 G C 1.459 176.353 174.900 -0.011 0.000 1.174 344 G CA 0.148 45.242 45.100 -0.009 0.000 0.780 344 G HN 0.102 nan 8.290 nan 0.000 0.537 345 R N 0.214 120.707 120.500 -0.013 0.000 2.152 345 R HA 0.005 4.345 4.340 -0.000 0.000 0.232 345 R C 2.547 178.836 176.300 -0.018 0.000 1.117 345 R CA 0.826 56.916 56.100 -0.016 0.000 0.981 345 R CB -0.371 29.918 30.300 -0.018 0.000 0.870 345 R HN 0.339 nan 8.270 nan 0.000 0.451 346 V N 0.461 120.366 119.914 -0.016 0.000 2.283 346 V HA -0.147 3.973 4.120 -0.000 0.000 0.243 346 V C 2.370 178.454 176.094 -0.016 0.000 1.039 346 V CA 1.783 64.073 62.300 -0.017 0.000 1.016 346 V CB -0.712 31.103 31.823 -0.014 0.000 0.650 346 V HN 0.368 nan 8.190 nan 0.000 0.449 347 A N -1.036 121.776 122.820 -0.013 0.000 2.178 347 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 347 A C 2.165 179.741 177.584 -0.013 0.000 1.157 347 A CA 1.827 53.856 52.037 -0.012 0.000 0.689 347 A CB -0.425 18.569 19.000 -0.010 0.000 0.787 347 A HN 0.640 nan 8.150 nan 0.000 0.465 348 Q N -0.382 119.409 119.800 -0.015 0.000 2.061 348 Q HA 0.004 4.344 4.340 -0.000 0.000 0.195 348 Q C 1.860 177.848 176.000 -0.020 0.000 0.967 348 Q CA 1.023 56.816 55.803 -0.016 0.000 0.829 348 Q CB -0.121 28.607 28.738 -0.017 0.000 0.900 348 Q HN 0.676 nan 8.270 nan 0.000 0.450 349 I N 0.550 121.106 120.570 -0.024 0.000 2.493 349 I HA -0.223 3.947 4.170 -0.000 0.000 0.254 349 I C 2.632 178.732 176.117 -0.028 0.000 1.160 349 I CA 0.735 62.017 61.300 -0.030 0.000 1.445 349 I CB -0.296 37.683 38.000 -0.035 0.000 1.086 349 I HN 0.198 nan 8.210 nan 0.000 0.433 350 R N 0.815 121.301 120.500 -0.023 0.000 2.120 350 R HA -0.205 4.135 4.340 -0.000 0.000 0.234 350 R C 2.296 178.585 176.300 -0.018 0.000 1.123 350 R CA 1.331 57.419 56.100 -0.020 0.000 0.975 350 R CB -0.102 30.189 30.300 -0.016 0.000 0.866 350 R HN 0.397 nan 8.270 nan 0.000 0.446 351 Q N 0.100 119.890 119.800 -0.017 0.000 2.408 351 Q HA -0.078 4.262 4.340 -0.000 0.000 0.205 351 Q C 1.223 177.213 176.000 -0.016 0.000 0.919 351 Q CA 0.786 56.581 55.803 -0.014 0.000 0.932 351 Q CB 0.388 29.119 28.738 -0.012 0.000 1.058 351 Q HN 0.458 nan 8.270 nan 0.000 0.517 352 Q N 0.138 119.925 119.800 -0.022 0.000 2.230 352 Q HA -0.009 4.331 4.340 -0.000 0.000 0.202 352 Q C 1.991 177.974 176.000 -0.029 0.000 0.963 352 Q CA 1.147 56.934 55.803 -0.026 0.000 0.866 352 Q CB 0.106 28.825 28.738 -0.032 0.000 0.931 352 Q HN 0.451 nan 8.270 nan 0.000 0.452 353 I N 0.384 120.936 120.570 -0.029 0.000 2.439 353 I HA -0.182 3.988 4.170 -0.000 0.000 0.251 353 I C 2.079 178.186 176.117 -0.018 0.000 1.139 353 I CA 0.656 61.939 61.300 -0.029 0.000 1.438 353 I CB -0.240 37.743 38.000 -0.029 0.000 1.085 353 I HN 0.103 nan 8.210 nan 0.000 0.427 354 E N 1.738 121.930 120.200 -0.014 0.000 2.058 354 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 354 E C 1.611 178.208 176.600 -0.006 0.000 0.997 354 E CA 1.581 57.976 56.400 -0.008 0.000 0.801 354 E CB -0.152 29.543 29.700 -0.008 0.000 0.746 354 E HN 0.698 nan 8.360 nan 0.000 0.450 355 E N 0.138 120.334 120.200 -0.008 0.000 2.451 355 E HA 0.336 4.686 4.350 -0.000 0.000 0.194 355 E C -0.072 176.525 176.600 -0.005 0.000 1.027 355 E CA -0.196 56.201 56.400 -0.004 0.000 0.914 355 E CB 0.387 30.085 29.700 -0.004 0.000 1.054 355 E HN -0.046 nan 8.360 nan 0.000 0.461 356 A N 1.851 124.666 122.820 -0.009 0.000 2.484 356 A HA 0.123 4.443 4.320 -0.000 0.000 0.268 356 A C 1.103 178.688 177.584 0.003 0.000 1.114 356 A CA -0.074 51.956 52.037 -0.011 0.000 0.780 356 A CB -0.096 18.889 19.000 -0.024 0.000 1.061 356 A HN 0.307 nan 8.150 nan 0.000 0.505 357 T N 0.151 114.711 114.554 0.010 0.000 3.380 357 T HA 0.332 4.682 4.350 -0.000 0.000 0.250 357 T C 0.673 175.390 174.700 0.029 0.000 1.082 357 T CA 0.385 62.495 62.100 0.018 0.000 0.968 357 T CB -1.072 67.808 68.868 0.019 0.000 1.027 357 T HN 1.196 nan 8.240 nan 0.000 0.575 358 S N -0.571 115.148 115.700 0.032 0.000 3.319 358 S HA 0.346 4.816 4.470 -0.000 0.000 0.310 358 S C -0.591 174.038 174.600 0.048 0.000 1.223 358 S CA -0.598 57.630 58.200 0.047 0.000 1.189 358 S CB 0.526 63.771 63.200 0.074 0.000 1.514 358 S HN 0.030 nan 8.310 nan 0.000 0.554 359 D N -0.687 119.757 120.400 0.074 0.000 2.514 359 D HA 0.185 4.825 4.640 -0.000 0.000 0.249 359 D C 1.421 177.783 176.300 0.103 0.000 1.036 359 D CA 0.498 54.543 54.000 0.074 0.000 0.911 359 D CB -0.077 40.769 40.800 0.077 0.000 1.145 359 D HN 0.451 nan 8.370 nan 0.000 0.495 360 Y N 2.474 122.785 120.300 0.019 0.000 2.242 360 Y HA -0.091 4.459 4.550 0.000 0.000 0.291 360 Y C 1.380 177.295 175.900 0.024 0.000 1.137 360 Y CA 1.339 59.453 58.100 0.025 0.000 1.181 360 Y CB -0.044 38.432 38.460 0.027 0.000 0.989 360 Y HN -0.207 nan 8.280 nan 0.000 0.527 361 D N -0.086 120.237 120.400 -0.128 0.000 2.392 361 D HA -0.066 4.574 4.640 -0.000 0.000 0.228 361 D C 1.762 177.977 176.300 -0.142 0.000 1.003 361 D CA 0.669 54.555 54.000 -0.191 0.000 0.917 361 D CB 0.023 40.789 40.800 -0.056 0.000 0.890 361 D HN 0.483 nan 8.370 nan 0.000 0.532 362 R N -0.028 120.411 120.500 -0.102 0.000 2.164 362 R HA 0.062 4.402 4.340 -0.000 0.000 0.198 362 R C 1.895 178.151 176.300 -0.073 0.000 1.028 362 R CA 0.125 56.186 56.100 -0.065 0.000 1.083 362 R CB 0.466 30.754 30.300 -0.021 0.000 1.026 362 R HN 0.038 nan 8.270 nan 0.000 0.514 363 E N 1.512 121.670 120.200 -0.070 0.000 2.005 363 E HA -0.254 4.096 4.350 -0.000 0.000 0.198 363 E C 1.760 178.315 176.600 -0.075 0.000 1.010 363 E CA 2.053 58.429 56.400 -0.040 0.000 0.825 363 E CB -0.064 29.655 29.700 0.031 0.000 0.769 363 E HN 0.266 nan 8.360 nan 0.000 0.456 364 K N 0.839 121.145 120.400 -0.157 0.000 2.211 364 K HA -0.145 4.175 4.320 -0.000 0.000 0.204 364 K C 2.025 178.553 176.600 -0.120 0.000 1.047 364 K CA 1.122 57.322 56.287 -0.146 0.000 0.935 364 K CB -0.119 32.230 32.500 -0.252 0.000 0.728 364 K HN 0.025 nan 8.250 nan 0.000 0.452 365 L N 2.358 123.504 121.223 -0.128 0.000 2.005 365 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 365 L C 2.924 179.756 176.870 -0.063 0.000 1.072 365 L CA 2.128 56.912 54.840 -0.094 0.000 0.744 365 L CB -1.361 40.645 42.059 -0.089 0.000 0.895 365 L HN 0.567 nan 8.230 nan 0.000 0.433 366 Q N -0.510 119.258 119.800 -0.053 0.000 2.291 366 Q HA -0.203 4.137 4.340 -0.000 0.000 0.205 366 Q C 1.565 177.546 176.000 -0.031 0.000 0.970 366 Q CA 1.179 56.959 55.803 -0.037 0.000 0.876 366 Q CB -0.268 28.451 28.738 -0.032 0.000 0.935 366 Q HN 0.536 nan 8.270 nan 0.000 0.455 367 E N 1.184 121.364 120.200 -0.033 0.000 2.051 367 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 367 E C 2.142 178.728 176.600 -0.023 0.000 0.991 367 E CA 1.189 57.577 56.400 -0.021 0.000 0.799 367 E CB 0.061 29.751 29.700 -0.017 0.000 0.748 367 E HN 0.363 nan 8.360 nan 0.000 0.449 368 R N 0.250 120.727 120.500 -0.038 0.000 2.092 368 R HA -0.108 4.232 4.340 -0.000 0.000 0.231 368 R C 2.638 178.920 176.300 -0.031 0.000 1.119 368 R CA 1.204 57.279 56.100 -0.041 0.000 0.970 368 R CB -0.377 29.887 30.300 -0.059 0.000 0.864 368 R HN 0.203 nan 8.270 nan 0.000 0.440 369 V N -1.466 118.430 119.914 -0.030 0.000 2.427 369 V HA -0.090 4.030 4.120 -0.000 0.000 0.248 369 V C 2.092 178.177 176.094 -0.016 0.000 1.051 369 V CA 1.862 64.147 62.300 -0.024 0.000 1.048 369 V CB -0.661 31.147 31.823 -0.024 0.000 0.666 369 V HN 0.247 nan 8.190 nan 0.000 0.456 370 A N 0.363 123.174 122.820 -0.013 0.000 1.929 370 A HA -0.085 4.234 4.320 -0.000 0.000 0.216 370 A C 2.281 179.865 177.584 -0.000 0.000 1.176 370 A CA 1.761 53.793 52.037 -0.007 0.000 0.628 370 A CB -0.537 18.459 19.000 -0.006 0.000 0.816 370 A HN 0.616 nan 8.150 nan 0.000 0.444 371 K N -0.524 119.877 120.400 0.001 0.000 2.097 371 K HA -0.026 4.294 4.320 -0.000 0.000 0.206 371 K C 1.629 178.235 176.600 0.009 0.000 1.049 371 K CA 1.373 57.667 56.287 0.013 0.000 0.933 371 K CB -0.259 32.250 32.500 0.015 0.000 0.717 371 K HN 0.465 nan 8.250 nan 0.000 0.442 372 L N -0.530 120.691 121.223 -0.003 0.000 2.298 372 L HA 0.049 4.389 4.340 -0.000 0.000 0.209 372 L C 2.058 178.926 176.870 -0.004 0.000 1.084 372 L CA 0.326 55.163 54.840 -0.005 0.000 0.816 372 L CB -0.156 41.895 42.059 -0.014 0.000 0.967 372 L HN 0.129 nan 8.230 nan 0.000 0.460 373 A N 0.131 122.948 122.820 -0.005 0.000 2.712 373 A HA 0.402 4.722 4.320 -0.000 0.000 0.211 373 A C 1.639 179.222 177.584 -0.002 0.000 1.877 373 A CA 0.697 52.731 52.037 -0.005 0.000 0.686 373 A CB -1.324 17.672 19.000 -0.007 0.000 1.308 373 A HN 0.243 nan 8.150 nan 0.000 0.498 374 G N -1.377 107.421 108.800 -0.003 0.000 3.048 374 G HA2 0.439 4.399 3.960 -0.000 0.000 0.151 374 G HA3 0.439 4.399 3.960 -0.000 0.000 0.151 374 G C 0.453 175.354 174.900 0.001 0.000 1.803 374 G CA 0.420 45.520 45.100 -0.001 0.000 1.047 374 G HN 1.215 nan 8.290 nan 0.000 0.513 375 G N -2.616 106.185 108.800 0.001 0.000 2.949 375 G HA2 0.519 4.479 3.960 -0.000 0.000 0.285 375 G HA3 0.519 4.479 3.960 -0.000 0.000 0.285 375 G C -1.935 172.967 174.900 0.003 0.000 1.395 375 G CA -0.328 44.774 45.100 0.004 0.000 0.901 375 G HN 0.683 nan 8.290 nan 0.000 0.519 376 V N -0.082 119.836 119.914 0.005 0.000 2.604 376 V HA 0.783 4.903 4.120 -0.000 0.000 0.305 376 V C -0.015 176.082 176.094 0.004 0.000 1.043 376 V CA -0.368 61.935 62.300 0.006 0.000 0.888 376 V CB 1.451 33.280 31.823 0.011 0.000 0.995 376 V HN 1.246 nan 8.190 nan 0.000 0.429 377 A N 4.491 127.313 122.820 0.004 0.000 2.401 377 A HA 0.928 5.248 4.320 -0.000 0.000 0.310 377 A C -1.264 176.323 177.584 0.006 0.000 1.075 377 A CA -0.569 51.470 52.037 0.004 0.000 0.746 377 A CB 2.001 21.003 19.000 0.003 0.000 1.277 377 A HN 0.673 nan 8.150 nan 0.000 0.425 378 V N 2.705 122.623 119.914 0.006 0.000 2.487 378 V HA 0.398 4.518 4.120 -0.000 0.000 0.298 378 V C -0.454 175.645 176.094 0.008 0.000 1.028 378 V CA -0.216 62.089 62.300 0.008 0.000 0.860 378 V CB 1.526 33.353 31.823 0.007 0.000 0.991 378 V HN 0.754 nan 8.190 nan 0.000 0.427 379 I N 4.623 125.199 120.570 0.012 0.000 2.315 379 I HA 0.380 4.550 4.170 -0.000 0.000 0.291 379 I C 0.165 176.289 176.117 0.012 0.000 1.006 379 I CA -0.359 60.947 61.300 0.011 0.000 1.265 379 I CB 1.140 39.149 38.000 0.015 0.000 1.387 379 I HN 0.503 nan 8.210 nan 0.000 0.475 380 K N 5.849 126.254 120.400 0.008 0.000 2.240 380 K HA 0.495 4.815 4.320 -0.000 0.000 0.271 380 K C -0.947 175.657 176.600 0.007 0.000 1.018 380 K CA -0.613 55.678 56.287 0.008 0.000 0.874 380 K CB 1.929 34.431 32.500 0.005 0.000 1.098 380 K HN 0.309 nan 8.250 nan 0.000 0.458 381 V N 2.236 122.155 119.914 0.009 0.000 2.465 381 V HA 0.373 4.493 4.120 -0.000 0.000 0.279 381 V C 0.702 176.800 176.094 0.006 0.000 1.045 381 V CA -0.858 61.447 62.300 0.008 0.000 0.938 381 V CB 1.372 33.201 31.823 0.010 0.000 0.986 381 V HN 0.895 nan 8.190 nan 0.000 0.467 382 G N 2.610 111.412 108.800 0.004 0.000 2.389 382 G HA2 0.787 4.747 3.960 -0.000 0.000 0.328 382 G HA3 0.787 4.747 3.960 -0.000 0.000 0.328 382 G C -0.564 174.338 174.900 0.003 0.000 1.133 382 G CA -0.003 45.098 45.100 0.003 0.000 0.891 382 G HN 1.260 nan 8.290 nan 0.000 0.485 383 A N 0.086 122.907 122.820 0.002 0.000 2.612 383 A HA 0.788 5.108 4.320 -0.000 0.000 0.293 383 A C 0.698 178.283 177.584 0.001 0.000 1.075 383 A CA 0.310 52.348 52.037 0.002 0.000 0.680 383 A CB 0.799 19.800 19.000 0.002 0.000 1.279 383 A HN 1.727 nan 8.150 nan 0.000 0.411 384 A N 0.095 122.916 122.820 0.000 0.000 1.872 384 A HA 0.344 4.664 4.320 -0.000 0.000 0.214 384 A C 1.544 179.128 177.584 0.000 0.000 1.187 384 A CA 2.543 54.580 52.037 -0.000 0.000 0.614 384 A CB -0.881 18.119 19.000 -0.001 0.000 0.826 384 A HN 1.774 nan 8.150 nan 0.000 0.442 385 T N -4.224 110.330 114.554 0.000 0.000 2.850 385 T HA 0.495 4.845 4.350 -0.000 0.000 0.269 385 T C 0.743 175.444 174.700 0.002 0.000 1.075 385 T CA 0.208 62.308 62.100 0.000 0.000 0.987 385 T CB 1.155 70.022 68.868 -0.001 0.000 1.889 385 T HN 0.201 nan 8.240 nan 0.000 0.584 386 E N -0.509 119.692 120.200 0.002 0.000 2.364 386 E HA 0.096 4.446 4.350 -0.000 0.000 0.203 386 E C 2.182 178.785 176.600 0.004 0.000 0.888 386 E CA 0.384 56.786 56.400 0.004 0.000 0.989 386 E CB 0.403 30.106 29.700 0.005 0.000 0.985 386 E HN 0.513 nan 8.360 nan 0.000 0.499 387 V N -0.299 119.616 119.914 0.002 0.000 2.594 387 V HA -0.181 3.939 4.120 -0.000 0.000 0.253 387 V C 2.047 178.141 176.094 0.001 0.000 1.069 387 V CA 2.050 64.351 62.300 0.000 0.000 1.082 387 V CB -0.538 31.283 31.823 -0.003 0.000 0.680 387 V HN 0.161 nan 8.190 nan 0.000 0.469 388 E N -0.025 120.176 120.200 0.001 0.000 2.046 388 E HA -0.203 4.147 4.350 -0.000 0.000 0.190 388 E C 2.119 178.720 176.600 0.002 0.000 0.982 388 E CA 1.351 57.752 56.400 0.001 0.000 0.800 388 E CB -0.199 29.501 29.700 -0.000 0.000 0.756 388 E HN 0.515 nan 8.360 nan 0.000 0.449 389 M N 1.286 120.889 119.600 0.003 0.000 2.082 389 M HA -0.202 4.278 4.480 -0.000 0.000 0.258 389 M C 1.783 178.086 176.300 0.006 0.000 1.069 389 M CA 1.777 57.080 55.300 0.005 0.000 1.102 389 M CB -0.050 32.554 32.600 0.006 0.000 1.336 389 M HN -0.087 nan 8.290 nan 0.000 0.404 390 K N -0.445 119.959 120.400 0.007 0.000 2.002 390 K HA -0.226 4.093 4.320 -0.000 0.000 0.209 390 K C 1.988 178.591 176.600 0.005 0.000 1.048 390 K CA 1.967 58.258 56.287 0.008 0.000 0.930 390 K CB -0.397 32.108 32.500 0.010 0.000 0.714 390 K HN 0.562 nan 8.250 nan 0.000 0.438 391 E N 1.633 121.834 120.200 0.003 0.000 2.106 391 E HA -0.213 4.137 4.350 -0.000 0.000 0.192 391 E C 1.903 178.503 176.600 0.001 0.000 0.984 391 E CA 1.611 58.011 56.400 0.001 0.000 0.806 391 E CB 0.004 29.704 29.700 -0.001 0.000 0.750 391 E HN 0.073 nan 8.360 nan 0.000 0.458 392 K N 0.910 121.311 120.400 0.002 0.000 2.001 392 K HA -0.100 4.220 4.320 -0.000 0.000 0.208 392 K C 2.193 178.796 176.600 0.006 0.000 1.048 392 K CA 1.722 58.011 56.287 0.004 0.000 0.932 392 K CB -0.188 32.314 32.500 0.004 0.000 0.715 392 K HN 0.087 nan 8.250 nan 0.000 0.437 393 K N -0.237 120.167 120.400 0.008 0.000 2.113 393 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 393 K C 1.897 178.503 176.600 0.010 0.000 1.047 393 K CA 1.429 57.722 56.287 0.011 0.000 0.928 393 K CB -0.256 32.251 32.500 0.012 0.000 0.716 393 K HN 0.274 nan 8.250 nan 0.000 0.446 394 A N 1.030 123.852 122.820 0.003 0.000 1.972 394 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 394 A C 2.049 179.628 177.584 -0.009 0.000 1.169 394 A CA 1.269 53.302 52.037 -0.006 0.000 0.635 394 A CB -0.327 18.668 19.000 -0.009 0.000 0.810 394 A HN 0.294 nan 8.150 nan 0.000 0.446 395 R N -0.775 119.724 120.500 -0.002 0.000 2.062 395 R HA -0.035 4.305 4.340 -0.000 0.000 0.229 395 R C 2.070 178.377 176.300 0.011 0.000 1.128 395 R CA 1.334 57.435 56.100 0.001 0.000 0.960 395 R CB -0.468 29.833 30.300 0.002 0.000 0.855 395 R HN 0.376 nan 8.270 nan 0.000 0.432 396 V N 1.626 121.550 119.914 0.017 0.000 2.324 396 V HA -0.259 3.861 4.120 -0.000 0.000 0.250 396 V C 2.213 178.335 176.094 0.048 0.000 1.060 396 V CA 1.761 64.077 62.300 0.028 0.000 1.042 396 V CB -0.486 31.352 31.823 0.025 0.000 0.650 396 V HN 0.317 nan 8.190 nan 0.000 0.450 397 E N 0.053 120.281 120.200 0.045 0.000 2.085 397 E HA -0.260 4.090 4.350 -0.000 0.000 0.194 397 E C 1.992 178.642 176.600 0.085 0.000 0.994 397 E CA 1.785 58.231 56.400 0.078 0.000 0.801 397 E CB -0.300 29.418 29.700 0.030 0.000 0.743 397 E HN 0.663 nan 8.360 nan 0.000 0.453 398 D N 0.223 120.625 120.400 0.003 0.000 2.084 398 D HA -0.108 4.532 4.640 -0.000 0.000 0.194 398 D C 1.866 178.201 176.300 0.059 0.000 0.990 398 D CA 1.768 55.754 54.000 -0.023 0.000 0.826 398 D CB -0.167 40.617 40.800 -0.027 0.000 0.971 398 D HN 0.165 nan 8.370 nan 0.000 0.453 399 A N 0.613 123.466 122.820 0.055 0.000 1.933 399 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 399 A C 2.135 179.769 177.584 0.084 0.000 1.175 399 A CA 0.790 52.862 52.037 0.059 0.000 0.628 399 A CB -0.761 18.261 19.000 0.037 0.000 0.814 399 A HN 0.304 nan 8.150 nan 0.000 0.444 400 L N -0.843 120.445 121.223 0.108 0.000 2.081 400 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 400 L C 2.305 179.233 176.870 0.097 0.000 1.080 400 L CA 2.499 57.398 54.840 0.099 0.000 0.754 400 L CB -0.991 41.134 42.059 0.110 0.000 0.893 400 L HN 0.536 nan 8.230 nan 0.000 0.433 401 H N -0.845 118.234 119.070 0.015 0.000 2.372 401 H HA 0.050 4.606 4.556 -0.000 0.000 0.301 401 H C 2.171 177.510 175.328 0.017 0.000 1.065 401 H CA 1.367 57.425 56.048 0.017 0.000 1.364 401 H CB -0.082 29.693 29.762 0.020 0.000 1.406 401 H HN 0.391 nan 8.280 nan 0.000 0.521 402 A N 0.208 123.121 122.820 0.154 0.000 1.930 402 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 402 A C 2.457 180.073 177.584 0.054 0.000 1.175 402 A CA 2.057 54.147 52.037 0.088 0.000 0.627 402 A CB -1.023 18.015 19.000 0.065 0.000 0.815 402 A HN 0.605 nan 8.150 nan 0.000 0.443 403 T N -1.975 112.606 114.554 0.045 0.000 2.737 403 T HA -0.154 4.196 4.350 -0.000 0.000 0.265 403 T C 1.939 176.647 174.700 0.014 0.000 1.038 403 T CA 1.105 63.220 62.100 0.025 0.000 1.144 403 T CB -0.436 68.443 68.868 0.019 0.000 0.866 403 T HN 0.435 nan 8.240 nan 0.000 0.434 404 R N 1.422 121.924 120.500 0.004 0.000 2.159 404 R HA 0.054 4.394 4.340 -0.000 0.000 0.237 404 R C 2.782 179.081 176.300 -0.002 0.000 1.131 404 R CA 1.326 57.416 56.100 -0.016 0.000 0.982 404 R CB -0.755 29.509 30.300 -0.060 0.000 0.868 404 R HN 0.613 nan 8.270 nan 0.000 0.453 405 A N 0.835 123.665 122.820 0.017 0.000 1.930 405 A HA 0.068 4.388 4.320 -0.000 0.000 0.215 405 A C 2.346 179.941 177.584 0.018 0.000 1.176 405 A CA 1.170 53.222 52.037 0.024 0.000 0.632 405 A CB -0.315 18.712 19.000 0.044 0.000 0.819 405 A HN 0.323 nan 8.150 nan 0.000 0.445 406 A N -0.364 122.467 122.820 0.018 0.000 1.902 406 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 406 A C 2.196 179.785 177.584 0.009 0.000 1.181 406 A CA 1.767 53.813 52.037 0.014 0.000 0.623 406 A CB -0.941 18.067 19.000 0.015 0.000 0.818 406 A HN 0.355 nan 8.150 nan 0.000 0.443 407 V N 1.156 121.074 119.914 0.006 0.000 2.343 407 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 407 V C 2.540 178.635 176.094 0.002 0.000 1.051 407 V CA 2.377 64.678 62.300 0.003 0.000 1.036 407 V CB -0.857 30.966 31.823 -0.001 0.000 0.654 407 V HN 0.931 nan 8.190 nan 0.000 0.451 408 E N -0.359 119.843 120.200 0.002 0.000 2.371 408 E HA -0.105 4.245 4.350 -0.000 0.000 0.194 408 E C 1.584 178.187 176.600 0.004 0.000 1.012 408 E CA 1.071 57.472 56.400 0.002 0.000 0.860 408 E CB 0.098 29.799 29.700 0.001 0.000 0.811 408 E HN 0.669 nan 8.360 nan 0.000 0.502 409 E N -0.124 120.080 120.200 0.006 0.000 2.744 409 E HA 0.204 4.554 4.350 -0.000 0.000 0.210 409 E C -0.040 176.564 176.600 0.006 0.000 0.950 409 E CA 0.171 56.574 56.400 0.006 0.000 1.282 409 E CB 1.280 30.984 29.700 0.007 0.000 1.123 409 E HN 0.341 nan 8.360 nan 0.000 0.544 410 G N 0.697 109.501 108.800 0.007 0.000 2.796 410 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.571 410 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.571 410 G C -0.378 174.527 174.900 0.009 0.000 1.370 410 G CA -0.428 44.676 45.100 0.008 0.000 0.856 410 G HN 0.599 nan 8.290 nan 0.000 0.538 411 V N -2.599 117.321 119.914 0.010 0.000 3.102 411 V HA 1.004 5.124 4.120 -0.000 0.000 0.312 411 V C 0.594 176.695 176.094 0.012 0.000 1.135 411 V CA 0.229 62.536 62.300 0.012 0.000 1.022 411 V CB 1.404 33.234 31.823 0.012 0.000 1.056 411 V HN 2.544 nan 8.190 nan 0.000 0.436 412 V N -1.431 118.491 119.914 0.013 0.000 3.165 412 V HA 1.005 5.125 4.120 -0.000 0.000 0.309 412 V C 0.315 176.419 176.094 0.018 0.000 1.267 412 V CA -0.733 61.576 62.300 0.016 0.000 1.067 412 V CB 1.240 33.072 31.823 0.014 0.000 1.082 412 V HN 2.148 nan 8.190 nan 0.000 0.451 413 A N 0.898 123.731 122.820 0.022 0.000 2.491 413 A HA 0.668 4.988 4.320 -0.000 0.000 0.261 413 A C 0.901 178.498 177.584 0.021 0.000 1.101 413 A CA 0.560 52.611 52.037 0.024 0.000 0.772 413 A CB -0.637 18.383 19.000 0.033 0.000 1.043 413 A HN 1.998 nan 8.150 nan 0.000 0.501 414 G N 1.221 110.030 108.800 0.016 0.000 2.529 414 G HA2 0.477 4.437 3.960 -0.000 0.000 0.277 414 G HA3 0.477 4.437 3.960 -0.000 0.000 0.277 414 G C 1.232 176.142 174.900 0.018 0.000 1.383 414 G CA 0.063 45.172 45.100 0.014 0.000 1.050 414 G HN 2.247 nan 8.290 nan 0.000 0.526 415 G N -2.215 106.596 108.800 0.018 0.000 2.168 415 G HA2 0.189 4.149 3.960 -0.000 0.000 0.257 415 G HA3 0.189 4.149 3.960 -0.000 0.000 0.257 415 G C 1.508 176.431 174.900 0.039 0.000 0.997 415 G CA 1.123 46.241 45.100 0.031 0.000 0.708 415 G HN 2.493 nan 8.290 nan 0.000 0.520 416 G N -1.990 106.828 108.800 0.030 0.000 2.258 416 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.274 416 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.274 416 G C 1.682 176.601 174.900 0.033 0.000 1.021 416 G CA 1.762 46.879 45.100 0.029 0.000 0.798 416 G HN 2.122 nan 8.290 nan 0.000 0.507 417 V N -0.759 119.177 119.914 0.036 0.000 2.407 417 V HA 0.244 4.364 4.120 -0.000 0.000 0.245 417 V C 2.893 179.010 176.094 0.038 0.000 1.041 417 V CA 2.256 64.581 62.300 0.043 0.000 1.040 417 V CB -0.565 31.288 31.823 0.049 0.000 0.671 417 V HN 1.416 nan 8.190 nan 0.000 0.455 418 A N 0.474 123.313 122.820 0.032 0.000 1.896 418 A HA -0.268 4.052 4.320 -0.000 0.000 0.220 418 A C 2.175 179.773 177.584 0.022 0.000 1.206 418 A CA 2.670 54.723 52.037 0.026 0.000 0.647 418 A CB -1.050 17.962 19.000 0.020 0.000 0.828 418 A HN 0.568 nan 8.150 nan 0.000 0.455 419 L N -1.021 120.214 121.223 0.020 0.000 2.042 419 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 419 L C 2.378 179.260 176.870 0.019 0.000 1.076 419 L CA 1.715 56.565 54.840 0.017 0.000 0.749 419 L CB -0.657 41.411 42.059 0.015 0.000 0.893 419 L HN 0.443 nan 8.230 nan 0.000 0.432 420 I N -1.465 119.121 120.570 0.025 0.000 2.454 420 I HA -0.271 3.899 4.170 -0.000 0.000 0.254 420 I C 2.393 178.527 176.117 0.028 0.000 1.156 420 I CA 0.777 62.093 61.300 0.028 0.000 1.433 420 I CB -0.120 37.901 38.000 0.036 0.000 1.082 420 I HN 0.170 nan 8.210 nan 0.000 0.432 421 R N -0.200 120.319 120.500 0.030 0.000 2.075 421 R HA -0.026 4.314 4.340 -0.000 0.000 0.226 421 R C 2.318 178.630 176.300 0.021 0.000 1.114 421 R CA 1.589 57.708 56.100 0.031 0.000 0.972 421 R CB -1.215 29.106 30.300 0.035 0.000 0.869 421 R HN 0.415 nan 8.270 nan 0.000 0.437 422 V N -0.635 119.289 119.914 0.017 0.000 2.515 422 V HA -0.008 4.112 4.120 -0.000 0.000 0.250 422 V C 2.034 178.134 176.094 0.010 0.000 1.058 422 V CA 1.786 64.093 62.300 0.011 0.000 1.064 422 V CB -0.792 31.035 31.823 0.007 0.000 0.675 422 V HN 0.173 nan 8.190 nan 0.000 0.461 423 A N 1.570 124.397 122.820 0.012 0.000 1.940 423 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 423 A C 2.538 180.128 177.584 0.010 0.000 1.176 423 A CA 2.720 54.763 52.037 0.010 0.000 0.631 423 A CB -1.000 18.006 19.000 0.011 0.000 0.814 423 A HN 0.987 nan 8.150 nan 0.000 0.446 424 S N -0.373 115.334 115.700 0.012 0.000 2.446 424 S HA -0.024 4.446 4.470 -0.000 0.000 0.225 424 S C 1.705 176.310 174.600 0.008 0.000 1.016 424 S CA 0.893 59.100 58.200 0.010 0.000 0.943 424 S CB -0.221 62.987 63.200 0.013 0.000 0.786 424 S HN 0.615 nan 8.310 nan 0.000 0.508 425 K N 1.271 121.676 120.400 0.009 0.000 2.209 425 K HA 0.109 4.429 4.320 -0.000 0.000 0.204 425 K C 1.209 177.812 176.600 0.005 0.000 1.048 425 K CA 0.916 57.207 56.287 0.007 0.000 0.940 425 K CB -0.400 32.104 32.500 0.007 0.000 0.729 425 K HN 0.423 nan 8.250 nan 0.000 0.451 426 L N 0.301 121.526 121.223 0.005 0.000 2.685 426 L HA 0.185 4.525 4.340 -0.000 0.000 0.233 426 L C 1.916 178.788 176.870 0.003 0.000 1.173 426 L CA -0.356 54.486 54.840 0.003 0.000 0.961 426 L CB -0.115 41.946 42.059 0.003 0.000 1.217 426 L HN 0.051 nan 8.230 nan 0.000 0.478 427 A N 0.044 122.866 122.820 0.004 0.000 2.032 427 A HA -0.199 4.121 4.320 -0.000 0.000 0.221 427 A C 1.506 179.091 177.584 0.002 0.000 1.165 427 A CA 1.705 53.744 52.037 0.003 0.000 0.645 427 A CB -0.199 18.803 19.000 0.003 0.000 0.807 427 A HN 0.350 nan 8.150 nan 0.000 0.453 428 D N -1.216 119.185 120.400 0.002 0.000 2.402 428 D HA 0.223 4.863 4.640 -0.000 0.000 0.216 428 D C -0.247 176.054 176.300 0.001 0.000 1.128 428 D CA -0.262 53.739 54.000 0.001 0.000 0.833 428 D CB 0.114 40.915 40.800 0.001 0.000 0.971 428 D HN 0.277 nan 8.370 nan 0.000 0.503 429 L N 1.587 122.811 121.223 0.002 0.000 2.410 429 L HA 0.211 4.551 4.340 -0.000 0.000 0.273 429 L C 0.242 177.113 176.870 0.002 0.000 1.152 429 L CA 0.413 55.254 54.840 0.002 0.000 0.855 429 L CB 0.233 42.293 42.059 0.002 0.000 1.129 429 L HN -0.199 nan 8.230 nan 0.000 0.463 430 R N 2.707 123.208 120.500 0.002 0.000 2.888 430 R HA 0.722 5.062 4.340 -0.000 0.000 0.264 430 R C -0.333 175.969 176.300 0.002 0.000 1.045 430 R CA -0.512 55.590 56.100 0.002 0.000 0.962 430 R CB 1.547 31.849 30.300 0.002 0.000 1.210 430 R HN 0.794 nan 8.270 nan 0.000 0.479 431 G N -0.401 108.401 108.800 0.002 0.000 2.971 431 G HA2 0.207 4.167 3.960 -0.000 0.000 0.235 431 G HA3 0.207 4.167 3.960 -0.000 0.000 0.235 431 G C 0.055 174.957 174.900 0.003 0.000 1.351 431 G CA -0.295 44.807 45.100 0.003 0.000 1.039 431 G HN 0.430 nan 8.290 nan 0.000 0.563 432 Q N -0.201 119.601 119.800 0.003 0.000 2.378 432 Q HA 0.088 4.428 4.340 -0.000 0.000 0.205 432 Q C 0.547 176.549 176.000 0.003 0.000 0.954 432 Q CA 0.700 56.504 55.803 0.003 0.000 0.901 432 Q CB 0.057 28.797 28.738 0.003 0.000 0.981 432 Q HN 0.610 nan 8.270 nan 0.000 0.483 433 N N -1.766 116.936 118.700 0.003 0.000 3.179 433 N HA -0.022 4.718 4.740 -0.000 0.000 0.250 433 N C 0.092 175.603 175.510 0.003 0.000 1.507 433 N CA -0.275 52.777 53.050 0.003 0.000 0.883 433 N CB 1.004 39.493 38.487 0.003 0.000 1.435 433 N HN -0.252 nan 8.380 nan 0.000 0.532 434 E N 0.258 120.460 120.200 0.003 0.000 2.110 434 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 434 E C 0.619 177.221 176.600 0.003 0.000 0.988 434 E CA 1.757 58.159 56.400 0.003 0.000 0.804 434 E CB -0.329 29.372 29.700 0.002 0.000 0.745 434 E HN 0.523 nan 8.360 nan 0.000 0.458 435 D N 0.175 120.577 120.400 0.003 0.000 2.144 435 D HA -0.157 4.483 4.640 -0.000 0.000 0.199 435 D C 1.817 178.120 176.300 0.005 0.000 0.984 435 D CA 0.950 54.952 54.000 0.004 0.000 0.834 435 D CB -0.214 40.589 40.800 0.005 0.000 0.955 435 D HN 0.381 nan 8.370 nan 0.000 0.465 436 Q N -0.012 119.791 119.800 0.005 0.000 2.291 436 Q HA -0.083 4.257 4.340 -0.000 0.000 0.205 436 Q C 1.574 177.577 176.000 0.004 0.000 0.970 436 Q CA 0.586 56.392 55.803 0.005 0.000 0.876 436 Q CB 0.054 28.795 28.738 0.005 0.000 0.935 436 Q HN 0.253 nan 8.270 nan 0.000 0.455 437 N N -0.020 118.683 118.700 0.004 0.000 2.135 437 N HA -0.094 4.646 4.740 -0.000 0.000 0.186 437 N C 1.857 177.369 175.510 0.004 0.000 1.027 437 N CA 0.840 53.892 53.050 0.003 0.000 0.849 437 N CB -0.316 38.172 38.487 0.003 0.000 1.002 437 N HN 0.004 nan 8.380 nan 0.000 0.425 438 V N 1.062 120.978 119.914 0.004 0.000 2.392 438 V HA -0.177 3.943 4.120 -0.000 0.000 0.249 438 V C 2.359 178.456 176.094 0.005 0.000 1.059 438 V CA 1.996 64.299 62.300 0.004 0.000 1.051 438 V CB -1.264 30.561 31.823 0.004 0.000 0.658 438 V HN 0.361 nan 8.190 nan 0.000 0.455 439 G N -0.180 108.623 108.800 0.005 0.000 2.440 439 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.218 439 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.218 439 G C 1.561 176.464 174.900 0.006 0.000 1.154 439 G CA 1.123 46.227 45.100 0.006 0.000 0.767 439 G HN 0.499 nan 8.290 nan 0.000 0.552 440 I N -0.046 120.527 120.570 0.005 0.000 2.163 440 I HA -0.082 4.088 4.170 -0.000 0.000 0.240 440 I C 2.757 178.877 176.117 0.005 0.000 1.081 440 I CA 1.050 62.353 61.300 0.004 0.000 1.353 440 I CB -0.110 37.892 38.000 0.004 0.000 1.054 440 I HN -0.022 nan 8.210 nan 0.000 0.407 441 K N 0.641 121.044 120.400 0.004 0.000 2.113 441 K HA -0.136 4.184 4.320 -0.000 0.000 0.208 441 K C 1.941 178.544 176.600 0.005 0.000 1.047 441 K CA 1.048 57.337 56.287 0.004 0.000 0.928 441 K CB -0.774 31.729 32.500 0.004 0.000 0.716 441 K HN 0.114 nan 8.250 nan 0.000 0.446 442 V N 0.550 120.467 119.914 0.006 0.000 2.287 442 V HA -0.320 3.800 4.120 -0.000 0.000 0.248 442 V C 2.191 178.289 176.094 0.007 0.000 1.053 442 V CA 2.177 64.481 62.300 0.006 0.000 1.027 442 V CB -0.755 31.072 31.823 0.007 0.000 0.646 442 V HN 0.411 nan 8.190 nan 0.000 0.447 443 A N -0.455 122.369 122.820 0.007 0.000 1.873 443 A HA -0.134 4.186 4.320 -0.000 0.000 0.215 443 A C 2.172 179.760 177.584 0.007 0.000 1.186 443 A CA 1.786 53.827 52.037 0.007 0.000 0.616 443 A CB -0.528 18.476 19.000 0.006 0.000 0.823 443 A HN 0.511 nan 8.150 nan 0.000 0.442 444 L N -1.241 119.985 121.223 0.006 0.000 1.989 444 L HA -0.226 4.114 4.340 -0.000 0.000 0.211 444 L C 2.786 179.660 176.870 0.007 0.000 1.071 444 L CA 1.978 56.822 54.840 0.006 0.000 0.749 444 L CB -0.608 41.454 42.059 0.006 0.000 0.890 444 L HN 0.359 nan 8.230 nan 0.000 0.431 445 R N -0.010 120.494 120.500 0.007 0.000 2.117 445 R HA -0.197 4.143 4.340 -0.000 0.000 0.243 445 R C 2.310 178.615 176.300 0.008 0.000 1.143 445 R CA 1.501 57.605 56.100 0.007 0.000 0.968 445 R CB -0.285 30.018 30.300 0.006 0.000 0.863 445 R HN 0.427 nan 8.270 nan 0.000 0.444 446 A N -0.099 122.726 122.820 0.009 0.000 2.014 446 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 446 A C 2.013 179.604 177.584 0.011 0.000 1.163 446 A CA 0.975 53.018 52.037 0.010 0.000 0.652 446 A CB -0.276 18.730 19.000 0.011 0.000 0.808 446 A HN 0.295 nan 8.150 nan 0.000 0.449 447 M N -0.531 119.075 119.600 0.010 0.000 2.446 447 M HA -0.131 4.349 4.480 -0.000 0.000 0.263 447 M C 1.471 177.779 176.300 0.013 0.000 1.066 447 M CA 1.074 56.380 55.300 0.011 0.000 1.087 447 M CB -0.163 32.443 32.600 0.010 0.000 1.406 447 M HN 0.461 nan 8.290 nan 0.000 0.459 448 E N -0.339 119.869 120.200 0.013 0.000 2.482 448 E HA -0.043 4.307 4.350 -0.000 0.000 0.196 448 E C 1.850 178.457 176.600 0.012 0.000 1.047 448 E CA 0.472 56.880 56.400 0.013 0.000 0.869 448 E CB 0.097 29.803 29.700 0.010 0.000 0.836 448 E HN 0.501 nan 8.360 nan 0.000 0.520 449 A N 1.936 124.763 122.820 0.012 0.000 1.897 449 A HA -0.034 4.286 4.320 -0.000 0.000 0.215 449 A C -0.419 177.173 177.584 0.014 0.000 1.181 449 A CA 0.641 52.685 52.037 0.012 0.000 0.620 449 A CB -1.155 17.852 19.000 0.012 0.000 0.821 449 A HN 0.107 nan 8.150 nan 0.000 0.443 450 P HA -0.199 nan 4.420 nan 0.000 0.214 450 P C 1.833 179.146 177.300 0.022 0.000 1.163 450 P CA 0.867 63.979 63.100 0.019 0.000 0.889 450 P CB -0.168 31.544 31.700 0.021 0.000 0.790 451 L N -0.572 120.666 121.223 0.024 0.000 2.013 451 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 451 L C 2.341 179.220 176.870 0.016 0.000 1.073 451 L CA 2.065 56.923 54.840 0.029 0.000 0.753 451 L CB -0.537 41.541 42.059 0.031 0.000 0.890 451 L HN -0.090 nan 8.230 nan 0.000 0.432 452 R N -0.882 119.623 120.500 0.008 0.000 2.127 452 R HA -0.191 4.149 4.340 -0.000 0.000 0.238 452 R C 2.352 178.652 176.300 0.000 0.000 1.134 452 R CA 1.419 57.518 56.100 -0.002 0.000 0.975 452 R CB -0.095 30.204 30.300 -0.001 0.000 0.865 452 R HN 0.452 nan 8.270 nan 0.000 0.447 453 Q N 0.199 120.004 119.800 0.008 0.000 2.062 453 Q HA 0.001 4.341 4.340 -0.000 0.000 0.196 453 Q C 2.160 178.168 176.000 0.014 0.000 0.967 453 Q CA 1.159 56.968 55.803 0.010 0.000 0.832 453 Q CB -0.016 28.729 28.738 0.012 0.000 0.899 453 Q HN 0.346 nan 8.270 nan 0.000 0.442 454 I N 0.071 120.655 120.570 0.023 0.000 2.113 454 I HA -0.320 3.850 4.170 -0.000 0.000 0.242 454 I C 2.274 178.417 176.117 0.043 0.000 1.064 454 I CA 1.168 62.489 61.300 0.036 0.000 1.320 454 I CB -0.437 37.592 38.000 0.049 0.000 1.028 454 I HN -0.022 nan 8.210 nan 0.000 0.406 455 V N 0.462 120.394 119.914 0.031 0.000 2.490 455 V HA -0.259 3.861 4.120 -0.000 0.000 0.250 455 V C 2.262 178.354 176.094 -0.003 0.000 1.061 455 V CA 1.679 63.981 62.300 0.003 0.000 1.064 455 V CB -0.416 31.355 31.823 -0.088 0.000 0.670 455 V HN 0.377 nan 8.190 nan 0.000 0.461 456 L N 0.138 121.360 121.223 -0.002 0.000 2.131 456 L HA -0.041 4.299 4.340 -0.000 0.000 0.206 456 L C 2.036 178.909 176.870 0.005 0.000 1.087 456 L CA 1.781 56.620 54.840 -0.002 0.000 0.767 456 L CB -0.661 41.396 42.059 -0.002 0.000 0.917 456 L HN 0.339 nan 8.230 nan 0.000 0.441 457 N N -1.525 117.181 118.700 0.011 0.000 2.430 457 N HA -0.195 4.545 4.740 -0.000 0.000 0.186 457 N C 1.372 176.892 175.510 0.016 0.000 1.032 457 N CA 1.151 54.208 53.050 0.012 0.000 0.893 457 N CB -0.211 38.284 38.487 0.014 0.000 0.957 457 N HN 0.428 nan 8.380 nan 0.000 0.442 458 C N -0.111 119.204 119.300 0.025 0.000 2.626 458 C HA 0.227 4.687 4.460 -0.000 0.000 0.266 458 C C 1.722 176.725 174.990 0.021 0.000 1.317 458 C CA 0.051 59.088 59.018 0.032 0.000 1.716 458 C CB -1.026 26.753 27.740 0.066 0.000 1.819 458 C HN 0.634 nan 8.230 nan 0.000 0.578 459 G N 1.406 110.213 108.800 0.012 0.000 2.160 459 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.251 459 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.251 459 G C -0.314 174.589 174.900 0.004 0.000 1.008 459 G CA 0.275 45.379 45.100 0.007 0.000 0.724 459 G HN 0.630 nan 8.290 nan 0.000 0.514 460 E N 0.046 120.245 120.200 -0.002 0.000 2.249 460 E HA 0.447 4.797 4.350 -0.000 0.000 0.263 460 E C -0.119 176.459 176.600 -0.038 0.000 0.950 460 E CA -0.921 55.468 56.400 -0.019 0.000 0.827 460 E CB 0.937 30.621 29.700 -0.025 0.000 1.220 460 E HN 0.346 nan 8.360 nan 0.000 0.411 461 E N 2.395 122.569 120.200 -0.044 0.000 2.220 461 E HA 0.023 4.373 4.350 -0.000 0.000 0.272 461 E C -1.937 174.627 176.600 -0.061 0.000 1.099 461 E CA -1.353 55.023 56.400 -0.040 0.000 0.907 461 E CB 0.596 30.279 29.700 -0.028 0.000 1.022 461 E HN 0.282 nan 8.360 nan 0.000 0.428 462 P HA -0.099 nan 4.420 nan 0.000 0.219 462 P C 1.335 178.607 177.300 -0.047 0.000 1.154 462 P CA 0.784 63.851 63.100 -0.055 0.000 0.826 462 P CB 0.220 31.901 31.700 -0.031 0.000 0.795 463 S N -0.631 115.050 115.700 -0.031 0.000 2.406 463 S HA -0.066 4.404 4.470 -0.000 0.000 0.228 463 S C 2.041 176.627 174.600 -0.024 0.000 1.020 463 S CA 0.871 59.058 58.200 -0.022 0.000 0.965 463 S CB -1.739 61.453 63.200 -0.014 0.000 0.798 463 S HN -0.069 nan 8.310 nan 0.000 0.488 464 V N 1.605 121.501 119.914 -0.029 0.000 2.358 464 V HA -0.101 4.019 4.120 -0.000 0.000 0.246 464 V C 2.561 178.640 176.094 -0.024 0.000 1.047 464 V CA 1.345 63.632 62.300 -0.022 0.000 1.035 464 V CB -0.611 31.203 31.823 -0.015 0.000 0.658 464 V HN 0.415 nan 8.190 nan 0.000 0.452 465 V N 0.116 119.991 119.914 -0.065 0.000 2.307 465 V HA -0.234 3.886 4.120 -0.000 0.000 0.245 465 V C 2.687 178.771 176.094 -0.017 0.000 1.045 465 V CA 2.026 64.279 62.300 -0.079 0.000 1.024 465 V CB -0.979 30.645 31.823 -0.331 0.000 0.651 465 V HN 0.556 nan 8.190 nan 0.000 0.449 466 A N 0.284 123.087 122.820 -0.028 0.000 1.865 466 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 466 A C 2.040 179.625 177.584 0.001 0.000 1.191 466 A CA 2.238 54.272 52.037 -0.004 0.000 0.623 466 A CB -0.863 18.133 19.000 -0.006 0.000 0.826 466 A HN 0.583 nan 8.150 nan 0.000 0.444 467 N N -0.149 118.546 118.700 -0.008 0.000 2.049 467 N HA -0.188 4.552 4.740 -0.000 0.000 0.198 467 N C 2.002 177.502 175.510 -0.016 0.000 1.030 467 N CA 2.635 55.679 53.050 -0.010 0.000 0.870 467 N CB -0.927 37.551 38.487 -0.014 0.000 1.045 467 N HN 0.724 nan 8.380 nan 0.000 0.434 468 T N -1.885 112.644 114.554 -0.041 0.000 2.951 468 T HA 0.018 4.368 4.350 -0.000 0.000 0.268 468 T C 1.975 176.659 174.700 -0.026 0.000 1.073 468 T CA 0.873 62.915 62.100 -0.097 0.000 1.134 468 T CB -0.546 68.160 68.868 -0.269 0.000 0.884 468 T HN -0.040 nan 8.240 nan 0.000 0.479 469 V N 1.531 121.455 119.914 0.016 0.000 2.515 469 V HA -0.038 4.082 4.120 -0.000 0.000 0.250 469 V C 2.686 178.858 176.094 0.130 0.000 1.058 469 V CA 1.611 63.971 62.300 0.100 0.000 1.064 469 V CB -0.509 31.362 31.823 0.080 0.000 0.675 469 V HN 0.528 nan 8.190 nan 0.000 0.461 470 K N 0.252 120.691 120.400 0.066 0.000 2.366 470 K HA 0.024 4.344 4.320 -0.000 0.000 0.198 470 K C 2.119 178.740 176.600 0.036 0.000 1.044 470 K CA 0.901 57.217 56.287 0.049 0.000 0.973 470 K CB -0.300 32.215 32.500 0.026 0.000 0.767 470 K HN 0.539 nan 8.250 nan 0.000 0.475 471 G N 1.204 110.020 108.800 0.027 0.000 2.509 471 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.218 471 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.218 471 G C 0.727 175.608 174.900 -0.032 0.000 1.124 471 G CA 0.606 45.701 45.100 -0.008 0.000 0.776 471 G HN 0.343 nan 8.290 nan 0.000 0.547 472 G N -1.100 107.715 108.800 0.026 0.000 2.606 472 G HA2 0.540 4.500 3.960 -0.000 0.000 0.262 472 G HA3 0.540 4.500 3.960 -0.000 0.000 0.262 472 G C -1.133 173.769 174.900 0.004 0.000 1.394 472 G CA -0.458 44.599 45.100 -0.071 0.000 1.044 472 G HN 0.111 nan 8.290 nan 0.000 0.553 473 D N -2.288 118.115 120.400 0.006 0.000 2.579 473 D HA 0.492 5.132 4.640 -0.000 0.000 0.257 473 D C 0.951 177.295 176.300 0.074 0.000 1.176 473 D CA 0.511 54.529 54.000 0.029 0.000 0.914 473 D CB 1.602 42.392 40.800 -0.016 0.000 1.431 473 D HN 0.840 nan 8.370 nan 0.000 0.454 474 G N 1.263 110.096 108.800 0.056 0.000 2.702 474 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.342 474 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.342 474 G C 0.370 175.323 174.900 0.090 0.000 1.258 474 G CA 0.839 45.976 45.100 0.061 0.000 0.990 474 G HN 0.648 nan 8.290 nan 0.000 0.548 475 N N -0.136 118.624 118.700 0.100 0.000 2.279 475 N HA 0.301 5.041 4.740 -0.000 0.000 0.226 475 N C -0.185 175.417 175.510 0.153 0.000 1.126 475 N CA -0.285 52.826 53.050 0.101 0.000 0.846 475 N CB 0.306 38.835 38.487 0.071 0.000 1.050 475 N HN 0.450 nan 8.380 nan 0.000 0.502 476 Y N 1.257 121.584 120.300 0.043 0.000 2.377 476 Y HA 0.429 4.979 4.550 0.000 0.000 0.330 476 Y C 0.602 176.560 175.900 0.097 0.000 1.108 476 Y CA 0.041 58.180 58.100 0.064 0.000 1.308 476 Y CB 0.412 38.899 38.460 0.046 0.000 1.216 476 Y HN 0.004 nan 8.280 nan 0.000 0.518 477 G N 3.912 112.555 108.800 -0.261 0.000 2.749 477 G HA2 0.258 4.218 3.960 -0.000 0.000 0.300 477 G HA3 0.258 4.218 3.960 -0.000 0.000 0.300 477 G C -2.427 172.431 174.900 -0.069 0.000 1.352 477 G CA -0.875 44.134 45.100 -0.151 0.000 0.789 477 G HN 0.502 nan 8.290 nan 0.000 0.509 478 Y N 1.337 121.582 120.300 -0.093 0.000 2.330 478 Y HA 0.583 5.133 4.550 -0.000 0.000 0.336 478 Y C -0.092 175.707 175.900 -0.168 0.000 1.036 478 Y CA -1.521 56.473 58.100 -0.177 0.000 1.125 478 Y CB 1.606 39.977 38.460 -0.149 0.000 1.194 478 Y HN 0.408 nan 8.280 nan 0.000 0.469 479 N N 4.499 122.769 118.700 -0.716 0.000 2.527 479 N HA 0.246 4.986 4.740 -0.000 0.000 0.236 479 N C 0.278 175.273 175.510 -0.859 0.000 0.999 479 N CA 0.427 53.140 53.050 -0.560 0.000 0.935 479 N CB 1.326 39.590 38.487 -0.370 0.000 1.132 479 N HN 0.883 nan 8.380 nan 0.000 0.511 480 A N 3.817 126.326 122.820 -0.518 0.000 1.933 480 A HA -0.049 4.271 4.320 -0.000 0.000 0.218 480 A C 2.081 179.534 177.584 -0.218 0.000 1.175 480 A CA 1.730 53.590 52.037 -0.295 0.000 0.628 480 A CB -0.629 18.372 19.000 0.002 0.000 0.814 480 A HN 0.704 nan 8.150 nan 0.000 0.444 481 A N -0.319 122.389 122.820 -0.188 0.000 1.865 481 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 481 A C 2.387 179.880 177.584 -0.153 0.000 1.191 481 A CA 2.658 54.616 52.037 -0.131 0.000 0.623 481 A CB -1.219 17.718 19.000 -0.104 0.000 0.826 481 A HN 0.871 nan 8.150 nan 0.000 0.444 482 T N -4.229 110.197 114.554 -0.214 0.000 3.086 482 T HA 0.284 4.634 4.350 -0.000 0.000 0.250 482 T C 0.352 174.913 174.700 -0.230 0.000 1.074 482 T CA 0.849 62.839 62.100 -0.183 0.000 0.988 482 T CB -0.177 68.596 68.868 -0.158 0.000 0.988 482 T HN 0.565 nan 8.240 nan 0.000 0.530 483 E N 1.215 121.188 120.200 -0.379 0.000 2.791 483 E HA -0.171 4.179 4.350 -0.000 0.000 0.271 483 E C -0.237 176.144 176.600 -0.365 0.000 1.044 483 E CA 0.958 57.141 56.400 -0.362 0.000 0.814 483 E CB -1.316 28.329 29.700 -0.091 0.000 1.400 483 E HN 0.974 nan 8.360 nan 0.000 0.423 484 E N -0.839 119.053 120.200 -0.513 0.000 2.383 484 E HA 0.474 4.824 4.350 -0.000 0.000 0.275 484 E C -0.790 175.565 176.600 -0.408 0.000 0.918 484 E CA -0.974 55.223 56.400 -0.340 0.000 0.764 484 E CB 0.969 30.602 29.700 -0.111 0.000 1.252 484 E HN 0.046 nan 8.360 nan 0.000 0.449 485 Y N 0.427 120.716 120.300 -0.019 0.000 2.300 485 Y HA 0.642 5.192 4.550 0.000 0.000 0.328 485 Y C 1.108 176.967 175.900 -0.067 0.000 1.270 485 Y CA 0.858 58.898 58.100 -0.101 0.000 1.352 485 Y CB 1.686 40.083 38.460 -0.106 0.000 1.286 485 Y HN 0.852 nan 8.280 nan 0.000 0.536 486 G N 0.562 109.375 108.800 0.021 0.000 2.341 486 G HA2 0.033 3.993 3.960 -0.000 0.000 0.299 486 G HA3 0.033 3.993 3.960 -0.000 0.000 0.299 486 G C -1.962 173.005 174.900 0.112 0.000 1.274 486 G CA -1.151 44.023 45.100 0.123 0.000 0.853 486 G HN 0.533 nan 8.290 nan 0.000 0.493 487 N N 1.096 119.870 118.700 0.123 0.000 2.420 487 N HA 0.136 4.876 4.740 -0.000 0.000 0.249 487 N C 1.700 177.240 175.510 0.049 0.000 1.033 487 N CA -0.560 52.556 53.050 0.109 0.000 0.944 487 N CB 0.886 39.433 38.487 0.100 0.000 1.113 487 N HN 0.388 nan 8.380 nan 0.000 0.502 488 M N 3.318 122.940 119.600 0.036 0.000 2.149 488 M HA -0.164 4.316 4.480 -0.000 0.000 0.261 488 M C 1.519 177.826 176.300 0.012 0.000 1.064 488 M CA 1.096 56.402 55.300 0.010 0.000 1.102 488 M CB -0.574 32.032 32.600 0.010 0.000 1.369 488 M HN 0.527 nan 8.290 nan 0.000 0.408 489 I N 0.371 120.955 120.570 0.023 0.000 2.353 489 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 489 I C 1.803 177.929 176.117 0.015 0.000 1.119 489 I CA 1.254 62.565 61.300 0.018 0.000 1.417 489 I CB -1.437 36.577 38.000 0.023 0.000 1.078 489 I HN 0.230 nan 8.210 nan 0.000 0.421 490 D N 0.709 121.120 120.400 0.020 0.000 2.178 490 D HA -0.089 4.551 4.640 -0.000 0.000 0.202 490 D C 2.170 178.474 176.300 0.007 0.000 0.974 490 D CA 1.000 55.009 54.000 0.016 0.000 0.841 490 D CB -0.016 40.799 40.800 0.026 0.000 0.953 490 D HN 0.340 nan 8.370 nan 0.000 0.478 491 M N -0.932 118.668 119.600 0.000 0.000 2.561 491 M HA 0.179 4.659 4.480 -0.000 0.000 0.238 491 M C 1.219 177.509 176.300 -0.016 0.000 1.131 491 M CA 0.487 55.778 55.300 -0.015 0.000 1.046 491 M CB 0.573 33.155 32.600 -0.031 0.000 1.532 491 M HN 0.021 nan 8.290 nan 0.000 0.497 492 G N 2.050 110.846 108.800 -0.008 0.000 2.168 492 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.263 492 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.263 492 G C 0.197 175.092 174.900 -0.009 0.000 0.977 492 G CA -0.150 44.945 45.100 -0.007 0.000 0.659 492 G HN 0.558 nan 8.290 nan 0.000 0.533 493 I N 1.898 122.460 120.570 -0.013 0.000 2.268 493 I HA 0.299 4.469 4.170 -0.000 0.000 0.298 493 I C 0.601 176.717 176.117 -0.002 0.000 1.185 493 I CA -0.052 61.240 61.300 -0.013 0.000 1.548 493 I CB -0.199 37.785 38.000 -0.026 0.000 1.492 493 I HN 0.071 nan 8.210 nan 0.000 0.711 494 L N 3.279 124.503 121.223 0.002 0.000 2.307 494 L HA 0.594 4.934 4.340 -0.000 0.000 0.284 494 L C -0.546 176.330 176.870 0.010 0.000 1.023 494 L CA -0.954 53.891 54.840 0.008 0.000 0.810 494 L CB 1.167 43.231 42.059 0.009 0.000 1.231 494 L HN 0.219 nan 8.230 nan 0.000 0.423 495 D N 2.834 123.241 120.400 0.013 0.000 2.193 495 D HA 0.402 5.042 4.640 -0.000 0.000 0.249 495 D C -2.461 173.849 176.300 0.017 0.000 1.034 495 D CA -1.486 52.523 54.000 0.016 0.000 0.902 495 D CB 1.629 42.439 40.800 0.017 0.000 1.182 495 D HN 0.262 nan 8.370 nan 0.000 0.436 496 P HA 0.154 nan 4.420 nan 0.000 0.279 496 P C 0.636 177.947 177.300 0.017 0.000 1.239 496 P CA -0.275 62.837 63.100 0.020 0.000 0.789 496 P CB 0.768 32.484 31.700 0.026 0.000 0.933 497 T N 1.678 116.240 114.554 0.012 0.000 2.674 497 T HA -0.189 4.161 4.350 -0.000 0.000 0.265 497 T C 1.635 176.338 174.700 0.003 0.000 1.039 497 T CA 1.367 63.471 62.100 0.007 0.000 1.150 497 T CB -0.446 68.424 68.868 0.004 0.000 0.864 497 T HN 0.493 nan 8.240 nan 0.000 0.427 498 K N 0.895 121.299 120.400 0.008 0.000 2.089 498 K HA -0.182 4.138 4.320 -0.000 0.000 0.210 498 K C 2.402 179.011 176.600 0.015 0.000 1.048 498 K CA 1.869 58.161 56.287 0.009 0.000 0.926 498 K CB -0.515 31.998 32.500 0.021 0.000 0.714 498 K HN 0.316 nan 8.250 nan 0.000 0.448 499 V N -0.174 119.757 119.914 0.027 0.000 2.307 499 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 499 V C 1.767 177.872 176.094 0.018 0.000 1.045 499 V CA 2.474 64.796 62.300 0.035 0.000 1.024 499 V CB -0.806 31.045 31.823 0.047 0.000 0.651 499 V HN 0.403 nan 8.190 nan 0.000 0.449 500 T N 0.626 115.186 114.554 0.010 0.000 2.746 500 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 500 T C 2.049 176.738 174.700 -0.017 0.000 1.039 500 T CA 1.845 63.947 62.100 0.003 0.000 1.142 500 T CB -0.456 68.415 68.868 0.005 0.000 0.866 500 T HN 0.508 nan 8.240 nan 0.000 0.444 501 R N 1.162 121.644 120.500 -0.030 0.000 2.082 501 R HA -0.095 4.245 4.340 -0.000 0.000 0.234 501 R C 2.543 178.770 176.300 -0.121 0.000 1.136 501 R CA 1.950 58.012 56.100 -0.063 0.000 0.935 501 R CB -0.799 29.467 30.300 -0.056 0.000 0.842 501 R HN 0.294 nan 8.270 nan 0.000 0.430 502 S N 0.536 116.162 115.700 -0.123 0.000 2.382 502 S HA -0.100 4.370 4.470 -0.000 0.000 0.228 502 S C 2.003 176.507 174.600 -0.160 0.000 1.027 502 S CA 1.115 59.168 58.200 -0.244 0.000 0.991 502 S CB -0.258 62.916 63.200 -0.044 0.000 0.823 502 S HN 0.570 nan 8.310 nan 0.000 0.469 503 A N 1.871 124.687 122.820 -0.007 0.000 1.873 503 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 503 A C 2.112 179.702 177.584 0.010 0.000 1.193 503 A CA 1.380 53.447 52.037 0.049 0.000 0.629 503 A CB -0.946 18.078 19.000 0.041 0.000 0.826 503 A HN 0.450 nan 8.150 nan 0.000 0.447 504 L N -0.708 120.494 121.223 -0.035 0.000 1.989 504 L HA -0.276 4.064 4.340 -0.000 0.000 0.211 504 L C 2.838 179.669 176.870 -0.065 0.000 1.071 504 L CA 2.427 57.245 54.840 -0.037 0.000 0.749 504 L CB -0.867 41.169 42.059 -0.039 0.000 0.890 504 L HN 0.566 nan 8.230 nan 0.000 0.431 505 Q N -1.140 118.560 119.800 -0.168 0.000 2.045 505 Q HA -0.276 4.064 4.340 -0.000 0.000 0.206 505 Q C 2.059 177.995 176.000 -0.108 0.000 0.991 505 Q CA 2.350 58.028 55.803 -0.209 0.000 0.851 505 Q CB -0.308 28.200 28.738 -0.383 0.000 0.911 505 Q HN 0.483 nan 8.270 nan 0.000 0.418 506 Y N -0.215 120.092 120.300 0.012 0.000 2.145 506 Y HA -0.161 4.389 4.550 0.000 0.000 0.286 506 Y C 2.369 178.275 175.900 0.010 0.000 1.145 506 Y CA 0.767 58.873 58.100 0.011 0.000 1.148 506 Y CB -1.087 37.380 38.460 0.012 0.000 0.981 506 Y HN 0.148 nan 8.280 nan 0.000 0.507 507 A N 0.223 123.139 122.820 0.160 0.000 1.883 507 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 507 A C 2.528 180.153 177.584 0.068 0.000 1.186 507 A CA 2.217 54.310 52.037 0.094 0.000 0.624 507 A CB -1.273 17.764 19.000 0.062 0.000 0.822 507 A HN 0.399 nan 8.150 nan 0.000 0.444 508 A N -0.862 121.988 122.820 0.050 0.000 1.877 508 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 508 A C 2.472 180.083 177.584 0.045 0.000 1.186 508 A CA 2.257 54.315 52.037 0.034 0.000 0.620 508 A CB -1.157 17.852 19.000 0.015 0.000 0.822 508 A HN 0.599 nan 8.150 nan 0.000 0.443 509 S N -0.495 115.244 115.700 0.066 0.000 2.377 509 S HA -0.198 4.272 4.470 -0.000 0.000 0.224 509 S C 1.962 176.599 174.600 0.062 0.000 1.042 509 S CA 2.364 60.609 58.200 0.074 0.000 1.086 509 S CB -0.774 62.499 63.200 0.122 0.000 0.995 509 S HN 0.436 nan 8.310 nan 0.000 0.428 510 V N 2.329 122.284 119.914 0.069 0.000 2.261 510 V HA -0.104 4.016 4.120 -0.000 0.000 0.246 510 V C 2.895 179.012 176.094 0.037 0.000 1.047 510 V CA 1.899 64.227 62.300 0.047 0.000 1.015 510 V CB -1.661 30.186 31.823 0.041 0.000 0.642 510 V HN 0.636 nan 8.190 nan 0.000 0.446 511 A N 0.801 123.644 122.820 0.038 0.000 2.019 511 A HA -0.016 4.304 4.320 -0.000 0.000 0.219 511 A C 2.371 179.970 177.584 0.025 0.000 1.164 511 A CA 1.787 53.841 52.037 0.029 0.000 0.644 511 A CB -1.228 17.789 19.000 0.028 0.000 0.805 511 A HN 0.553 nan 8.150 nan 0.000 0.449 512 G N 0.110 108.926 108.800 0.027 0.000 2.480 512 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.216 512 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.216 512 G C 1.558 176.471 174.900 0.022 0.000 1.200 512 G CA 1.079 46.193 45.100 0.023 0.000 0.782 512 G HN 0.421 nan 8.290 nan 0.000 0.554 513 L N -0.466 120.771 121.223 0.025 0.000 2.013 513 L HA -0.132 4.208 4.340 -0.000 0.000 0.212 513 L C 2.983 179.866 176.870 0.021 0.000 1.073 513 L CA 1.661 56.514 54.840 0.022 0.000 0.753 513 L CB -0.277 41.796 42.059 0.024 0.000 0.890 513 L HN 0.282 nan 8.230 nan 0.000 0.432 514 M N -0.072 119.541 119.600 0.021 0.000 2.202 514 M HA -0.219 4.261 4.480 -0.000 0.000 0.262 514 M C 1.980 178.290 176.300 0.017 0.000 1.063 514 M CA 1.737 57.049 55.300 0.019 0.000 1.097 514 M CB -0.120 32.492 32.600 0.020 0.000 1.382 514 M HN 0.327 nan 8.290 nan 0.000 0.413 515 I N -2.930 117.650 120.570 0.017 0.000 3.291 515 I HA -0.006 4.164 4.170 -0.000 0.000 0.279 515 I C 1.499 177.625 176.117 0.015 0.000 1.294 515 I CA 1.030 62.338 61.300 0.014 0.000 1.428 515 I CB -0.955 37.053 38.000 0.014 0.000 1.070 515 I HN 0.206 nan 8.210 nan 0.000 0.478 516 T N -2.521 112.043 114.554 0.017 0.000 3.188 516 T HA 0.169 4.519 4.350 -0.000 0.000 0.250 516 T C 0.689 175.401 174.700 0.021 0.000 1.077 516 T CA -0.229 61.882 62.100 0.018 0.000 0.967 516 T CB -0.857 68.022 68.868 0.019 0.000 1.006 516 T HN 0.193 nan 8.240 nan 0.000 0.552 517 T N 2.602 117.167 114.554 0.018 0.000 2.761 517 T HA 0.270 4.620 4.350 -0.000 0.000 0.296 517 T C 0.775 175.488 174.700 0.022 0.000 0.934 517 T CA -0.180 61.930 62.100 0.017 0.000 1.091 517 T CB 1.379 70.253 68.868 0.011 0.000 0.896 517 T HN 0.365 nan 8.240 nan 0.000 0.515 518 E N 1.493 121.714 120.200 0.035 0.000 2.453 518 E HA 0.201 4.551 4.350 -0.000 0.000 0.211 518 E C -0.006 176.643 176.600 0.081 0.000 0.897 518 E CA -0.036 56.404 56.400 0.066 0.000 1.063 518 E CB 0.518 30.270 29.700 0.087 0.000 1.080 518 E HN 0.588 nan 8.360 nan 0.000 0.512 519 C N 0.344 119.653 119.300 0.015 0.000 2.985 519 C HA 0.733 5.193 4.460 -0.000 0.000 0.314 519 C C -1.489 173.425 174.990 -0.126 0.000 1.215 519 C CA -0.707 58.237 59.018 -0.124 0.000 1.414 519 C CB 0.540 28.219 27.740 -0.101 0.000 1.842 519 C HN 0.316 nan 8.230 nan 0.000 0.477 520 M N 4.626 124.118 119.600 -0.180 0.000 2.395 520 M HA 0.573 5.053 4.480 -0.000 0.000 0.307 520 M C -1.204 175.133 176.300 0.062 0.000 1.091 520 M CA -0.567 54.731 55.300 -0.004 0.000 0.919 520 M CB 2.204 34.869 32.600 0.108 0.000 1.662 520 M HN 0.401 nan 8.290 nan 0.000 0.440 521 V N 1.706 121.652 119.914 0.053 0.000 2.409 521 V HA 0.614 4.734 4.120 -0.000 0.000 0.290 521 V C -0.334 175.741 176.094 -0.032 0.000 1.017 521 V CA -0.351 61.957 62.300 0.014 0.000 0.841 521 V CB 1.677 33.488 31.823 -0.020 0.000 1.003 521 V HN 0.953 nan 8.190 nan 0.000 0.426 522 T N 2.199 116.687 114.554 -0.111 0.000 2.838 522 T HA 0.462 4.812 4.350 -0.000 0.000 0.292 522 T C -0.950 173.634 174.700 -0.194 0.000 1.113 522 T CA -0.532 61.443 62.100 -0.208 0.000 1.008 522 T CB 1.885 70.511 68.868 -0.403 0.000 1.259 522 T HN 0.577 nan 8.240 nan 0.000 0.520 523 D N 1.285 121.582 120.400 -0.171 0.000 2.378 523 D HA 0.287 4.927 4.640 -0.000 0.000 0.238 523 D C 0.214 176.423 176.300 -0.151 0.000 1.180 523 D CA 0.108 54.031 54.000 -0.129 0.000 0.895 523 D CB 0.313 41.054 40.800 -0.100 0.000 1.192 523 D HN 0.380 nan 8.370 nan 0.000 0.438 524 L N 2.298 123.465 121.223 -0.094 0.000 2.417 524 L HA 0.235 4.575 4.340 -0.000 0.000 0.268 524 L C -1.408 175.418 176.870 -0.074 0.000 1.158 524 L CA -1.489 53.306 54.840 -0.075 0.000 0.819 524 L CB 0.252 42.288 42.059 -0.037 0.000 1.112 524 L HN 0.336 nan 8.230 nan 0.000 0.458 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.072 63.100 -0.047 0.000 0.800 525 P CB 0.000 31.685 31.700 -0.026 0.000 0.726