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 1pf9_1_D 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 0.000 177.575 177.584 -0.014 0.000 1.274 2 A CA 0.000 52.027 52.037 -0.016 0.000 0.836 2 A CB 0.000 18.986 19.000 -0.023 0.000 0.831 3 A N 2.429 125.244 122.820 -0.009 0.000 2.587 3 A HA 0.476 4.796 4.320 0.000 0.000 0.235 3 A C 0.277 177.855 177.584 -0.011 0.000 1.044 3 A CA 0.561 52.595 52.037 -0.004 0.000 0.754 3 A CB -0.071 18.930 19.000 0.002 0.000 0.968 3 A HN 0.626 nan 8.150 nan 0.000 0.509 4 K N 1.616 122.013 120.400 -0.005 0.000 2.208 4 K HA 0.387 4.707 4.320 0.000 0.000 0.247 4 K C -1.177 175.431 176.600 0.013 0.000 0.953 4 K CA -0.759 55.520 56.287 -0.013 0.000 0.837 4 K CB 1.621 34.110 32.500 -0.017 0.000 1.131 4 K HN 0.699 nan 8.250 nan 0.000 0.431 5 D N 1.938 122.350 120.400 0.020 0.000 2.317 5 D HA 0.212 4.852 4.640 0.000 0.000 0.234 5 D C -0.922 175.489 176.300 0.185 0.000 1.112 5 D CA -0.491 53.580 54.000 0.119 0.000 0.840 5 D CB 0.940 41.842 40.800 0.169 0.000 1.078 5 D HN 0.273 nan 8.370 nan 0.000 0.486 6 V N 1.340 121.316 119.914 0.102 0.000 2.435 6 V HA 0.645 4.765 4.120 0.000 0.000 0.290 6 V C -0.356 175.636 176.094 -0.170 0.000 1.030 6 V CA -0.623 61.659 62.300 -0.031 0.000 0.881 6 V CB 1.498 33.213 31.823 -0.180 0.000 0.983 6 V HN 0.322 nan 8.190 nan 0.000 0.445 7 K N 4.095 124.316 120.400 -0.299 0.000 2.316 7 K HA 0.729 5.049 4.320 0.000 0.000 0.251 7 K C -1.603 174.701 176.600 -0.492 0.000 0.934 7 K CA -0.472 55.564 56.287 -0.418 0.000 0.802 7 K CB 2.280 34.341 32.500 -0.732 0.000 1.171 7 K HN 0.726 nan 8.250 nan 0.000 0.426 8 F N 0.224 120.123 119.950 -0.085 0.000 2.579 8 F HA 0.421 4.948 4.527 0.000 0.000 0.324 8 F C 1.238 177.004 175.800 -0.056 0.000 1.058 8 F CA 0.101 58.073 58.000 -0.047 0.000 0.944 8 F CB 1.859 40.841 39.000 -0.029 0.000 1.245 8 F HN 0.814 nan 8.300 nan 0.000 0.477 9 G N 2.017 110.931 108.800 0.190 0.000 2.652 9 G HA2 -0.515 3.445 3.960 0.000 0.000 0.318 9 G HA3 -0.515 3.445 3.960 0.000 0.000 0.318 9 G C 0.944 175.865 174.900 0.035 0.000 1.295 9 G CA 1.188 46.343 45.100 0.091 0.000 0.999 9 G HN 0.919 nan 8.290 nan 0.000 0.548 10 N N 0.159 118.871 118.700 0.020 0.000 2.104 10 N HA -0.102 4.638 4.740 0.000 0.000 0.190 10 N C 1.777 177.274 175.510 -0.022 0.000 1.024 10 N CA 2.303 55.353 53.050 0.000 0.000 0.853 10 N CB -0.257 38.230 38.487 -0.000 0.000 1.008 10 N HN 0.527 nan 8.380 nan 0.000 0.424 11 D N -0.007 120.374 120.400 -0.031 0.000 2.137 11 D HA -0.196 4.444 4.640 0.000 0.000 0.189 11 D C 1.879 178.100 176.300 -0.133 0.000 0.998 11 D CA 1.919 55.872 54.000 -0.079 0.000 0.839 11 D CB -0.818 39.931 40.800 -0.086 0.000 0.962 11 D HN 0.464 nan 8.370 nan 0.000 0.446 12 A N 0.521 123.254 122.820 -0.146 0.000 1.908 12 A HA -0.216 4.104 4.320 0.000 0.000 0.218 12 A C 2.208 179.742 177.584 -0.083 0.000 1.181 12 A CA 1.662 53.584 52.037 -0.192 0.000 0.627 12 A CB -0.451 18.461 19.000 -0.146 0.000 0.818 12 A HN 0.149 nan 8.150 nan 0.000 0.445 13 R N -0.856 119.621 120.500 -0.038 0.000 2.070 13 R HA -0.095 4.245 4.340 0.000 0.000 0.233 13 R C 2.112 178.405 176.300 -0.011 0.000 1.137 13 R CA 1.497 57.591 56.100 -0.010 0.000 0.945 13 R CB -0.772 29.528 30.300 0.000 0.000 0.845 13 R HN 0.371 nan 8.270 nan 0.000 0.430 14 V N 2.000 121.901 119.914 -0.022 0.000 2.278 14 V HA -0.332 3.788 4.120 0.000 0.000 0.251 14 V C 2.346 178.433 176.094 -0.011 0.000 1.062 14 V CA 1.807 64.097 62.300 -0.017 0.000 1.038 14 V CB -0.402 31.407 31.823 -0.024 0.000 0.646 14 V HN 0.303 nan 8.190 nan 0.000 0.447 15 K N -0.701 119.683 120.400 -0.027 0.000 1.991 15 K HA -0.199 4.121 4.320 0.000 0.000 0.212 15 K C 2.138 178.763 176.600 0.042 0.000 1.049 15 K CA 1.955 58.245 56.287 0.005 0.000 0.932 15 K CB -0.742 31.744 32.500 -0.023 0.000 0.717 15 K HN 0.434 nan 8.250 nan 0.000 0.441 16 M N 0.754 120.379 119.600 0.042 0.000 2.143 16 M HA -0.221 4.259 4.480 0.000 0.000 0.258 16 M C 2.114 178.435 176.300 0.035 0.000 1.071 16 M CA 1.388 56.719 55.300 0.052 0.000 1.088 16 M CB -0.104 32.522 32.600 0.044 0.000 1.360 16 M HN 0.091 nan 8.290 nan 0.000 0.404 17 L N 0.389 121.625 121.223 0.023 0.000 2.056 17 L HA -0.153 4.187 4.340 0.000 0.000 0.207 17 L C 2.229 179.110 176.870 0.018 0.000 1.078 17 L CA 1.820 56.671 54.840 0.018 0.000 0.749 17 L CB -0.617 41.449 42.059 0.012 0.000 0.901 17 L HN 0.223 nan 8.230 nan 0.000 0.433 18 R N -0.460 120.051 120.500 0.019 0.000 2.091 18 R HA -0.130 4.210 4.340 0.000 0.000 0.238 18 R C 2.228 178.541 176.300 0.022 0.000 1.136 18 R CA 1.266 57.377 56.100 0.019 0.000 0.959 18 R CB -1.149 29.163 30.300 0.020 0.000 0.856 18 R HN 0.576 nan 8.270 nan 0.000 0.437 19 G N 0.808 109.626 108.800 0.030 0.000 2.459 19 G HA2 -0.243 3.717 3.960 0.000 0.000 0.217 19 G HA3 -0.243 3.717 3.960 0.000 0.000 0.217 19 G C 1.515 176.427 174.900 0.020 0.000 1.183 19 G CA 1.045 46.162 45.100 0.028 0.000 0.776 19 G HN 0.137 nan 8.290 nan 0.000 0.552 20 V N 1.515 121.441 119.914 0.020 0.000 2.250 20 V HA -0.332 3.788 4.120 0.000 0.000 0.250 20 V C 2.526 178.627 176.094 0.013 0.000 1.060 20 V CA 2.411 64.721 62.300 0.016 0.000 1.030 20 V CB -0.972 30.862 31.823 0.017 0.000 0.643 20 V HN 0.466 nan 8.190 nan 0.000 0.445 21 N N -0.205 118.503 118.700 0.013 0.000 2.069 21 N HA -0.159 4.581 4.740 0.000 0.000 0.191 21 N C 1.764 177.279 175.510 0.008 0.000 1.031 21 N CA 1.458 54.514 53.050 0.010 0.000 0.852 21 N CB -0.293 38.200 38.487 0.010 0.000 1.018 21 N HN 0.307 nan 8.380 nan 0.000 0.423 22 V N 1.809 121.728 119.914 0.009 0.000 2.252 22 V HA -0.222 3.898 4.120 0.000 0.000 0.249 22 V C 2.229 178.326 176.094 0.004 0.000 1.056 22 V CA 1.349 63.652 62.300 0.006 0.000 1.022 22 V CB -0.678 31.149 31.823 0.007 0.000 0.641 22 V HN 0.387 nan 8.190 nan 0.000 0.445 23 L N 1.120 122.346 121.223 0.005 0.000 1.961 23 L HA -0.123 4.217 4.340 0.000 0.000 0.210 23 L C 2.572 179.444 176.870 0.003 0.000 1.072 23 L CA 2.892 57.734 54.840 0.003 0.000 0.749 23 L CB -1.791 40.270 42.059 0.004 0.000 0.889 23 L HN 0.290 nan 8.230 nan 0.000 0.432 24 A N 0.021 122.844 122.820 0.006 0.000 1.903 24 A HA -0.293 4.027 4.320 0.000 0.000 0.219 24 A C 1.893 179.480 177.584 0.005 0.000 1.191 24 A CA 2.258 54.299 52.037 0.007 0.000 0.638 24 A CB -1.041 17.965 19.000 0.009 0.000 0.823 24 A HN 0.629 nan 8.150 nan 0.000 0.451 25 D N -0.091 120.312 120.400 0.005 0.000 2.144 25 D HA -0.013 4.627 4.640 0.000 0.000 0.199 25 D C 2.120 178.421 176.300 0.001 0.000 0.984 25 D CA 1.475 55.477 54.000 0.003 0.000 0.834 25 D CB -0.510 40.291 40.800 0.003 0.000 0.955 25 D HN 0.480 nan 8.370 nan 0.000 0.465 26 A N 0.401 123.221 122.820 -0.000 0.000 1.969 26 A HA -0.094 4.226 4.320 0.000 0.000 0.218 26 A C 2.379 179.961 177.584 -0.002 0.000 1.169 26 A CA 0.950 52.986 52.037 -0.003 0.000 0.635 26 A CB -0.436 18.561 19.000 -0.005 0.000 0.810 26 A HN 0.169 nan 8.150 nan 0.000 0.445 27 V N -0.098 119.816 119.914 -0.000 0.000 2.649 27 V HA -0.156 3.964 4.120 0.000 0.000 0.248 27 V C 2.294 178.390 176.094 0.002 0.000 1.054 27 V CA 1.777 64.077 62.300 0.000 0.000 1.073 27 V CB -0.510 31.314 31.823 0.002 0.000 0.699 27 V HN 0.484 nan 8.190 nan 0.000 0.463 28 K N 0.702 121.104 120.400 0.004 0.000 2.103 28 K HA -0.145 4.175 4.320 0.000 0.000 0.207 28 K C 2.047 178.650 176.600 0.005 0.000 1.048 28 K CA 1.743 58.033 56.287 0.005 0.000 0.930 28 K CB -0.468 32.036 32.500 0.006 0.000 0.716 28 K HN 0.575 nan 8.250 nan 0.000 0.444 29 V N -0.335 119.581 119.914 0.003 0.000 3.026 29 V HA -0.142 3.978 4.120 0.000 0.000 0.265 29 V C 1.834 177.929 176.094 0.002 0.000 1.121 29 V CA 1.973 64.274 62.300 0.002 0.000 1.142 29 V CB -1.345 30.477 31.823 -0.000 0.000 0.730 29 V HN 0.331 nan 8.190 nan 0.000 0.503 30 T N -2.454 112.102 114.554 0.003 0.000 3.145 30 T HA 0.393 4.743 4.350 0.000 0.000 0.255 30 T C 0.169 174.872 174.700 0.005 0.000 1.039 30 T CA -0.266 61.835 62.100 0.002 0.000 0.928 30 T CB 0.001 68.869 68.868 0.001 0.000 1.029 30 T HN 0.340 nan 8.240 nan 0.000 0.554 31 L N 2.381 123.609 121.223 0.007 0.000 2.276 31 L HA 0.674 5.014 4.340 0.000 0.000 0.286 31 L C 0.637 177.514 176.870 0.012 0.000 1.061 31 L CA 1.277 56.123 54.840 0.010 0.000 0.807 31 L CB 0.045 42.112 42.059 0.013 0.000 1.177 31 L HN 0.625 nan 8.230 nan 0.000 0.429 32 G N 4.729 113.535 108.800 0.011 0.000 2.728 32 G HA2 -0.168 3.792 3.960 0.000 0.000 0.294 32 G HA3 -0.168 3.792 3.960 0.000 0.000 0.294 32 G C -2.176 172.726 174.900 0.003 0.000 1.342 32 G CA -0.304 44.802 45.100 0.010 0.000 0.866 32 G HN 0.545 nan 8.290 nan 0.000 0.534 33 P HA -0.024 nan 4.420 nan 0.000 0.218 33 P C 1.043 178.338 177.300 -0.008 0.000 1.149 33 P CA 1.450 64.543 63.100 -0.011 0.000 0.817 33 P CB 0.045 31.729 31.700 -0.026 0.000 0.785 34 K N 0.439 120.838 120.400 -0.001 0.000 2.596 34 K HA 0.227 4.547 4.320 0.000 0.000 0.211 34 K C 1.137 177.740 176.600 0.004 0.000 1.046 34 K CA -0.336 55.953 56.287 0.002 0.000 1.202 34 K CB -0.066 32.439 32.500 0.007 0.000 0.925 34 K HN 0.095 nan 8.250 nan 0.000 0.486 35 G N 0.981 109.783 108.800 0.003 0.000 2.636 35 G HA2 0.160 4.120 3.960 0.000 0.000 0.246 35 G HA3 0.160 4.120 3.960 0.000 0.000 0.246 35 G C -0.178 174.722 174.900 0.001 0.000 1.216 35 G CA -0.379 44.723 45.100 0.003 0.000 0.854 35 G HN 0.232 nan 8.290 nan 0.000 0.572 36 R N -0.290 120.210 120.500 0.000 0.000 2.930 36 R HA 0.360 4.700 4.340 0.000 0.000 0.257 36 R C -0.628 175.671 176.300 -0.003 0.000 1.107 36 R CA -1.013 55.086 56.100 -0.001 0.000 0.999 36 R CB 1.334 31.634 30.300 -0.002 0.000 1.209 36 R HN 0.474 nan 8.270 nan 0.000 0.486 37 N N -0.212 118.486 118.700 -0.004 0.000 2.477 37 N HA 0.418 5.158 4.740 0.000 0.000 0.284 37 N C -0.980 174.525 175.510 -0.008 0.000 1.182 37 N CA -0.434 52.612 53.050 -0.006 0.000 0.949 37 N CB 1.850 40.333 38.487 -0.006 0.000 1.204 37 N HN 0.109 nan 8.380 nan 0.000 0.526 38 V N 0.769 120.677 119.914 -0.010 0.000 2.715 38 V HA 0.436 4.556 4.120 0.000 0.000 0.310 38 V C -0.096 175.987 176.094 -0.018 0.000 1.054 38 V CA -0.842 61.450 62.300 -0.013 0.000 0.928 38 V CB 2.121 33.937 31.823 -0.013 0.000 1.007 38 V HN 0.286 nan 8.190 nan 0.000 0.437 39 V N 5.323 125.223 119.914 -0.023 0.000 2.370 39 V HA 0.478 4.598 4.120 0.000 0.000 0.283 39 V C -0.341 175.728 176.094 -0.042 0.000 1.023 39 V CA -0.422 61.859 62.300 -0.032 0.000 0.857 39 V CB 1.338 33.142 31.823 -0.031 0.000 0.985 39 V HN 0.617 nan 8.190 nan 0.000 0.443 40 L N 3.868 125.060 121.223 -0.053 0.000 2.305 40 L HA 0.549 4.889 4.340 0.000 0.000 0.284 40 L C 0.039 176.840 176.870 -0.115 0.000 1.013 40 L CA -0.524 54.273 54.840 -0.072 0.000 0.819 40 L CB 1.434 43.455 42.059 -0.062 0.000 1.227 40 L HN 0.499 nan 8.230 nan 0.000 0.417 41 D N 3.026 123.348 120.400 -0.130 0.000 2.371 41 D HA 0.316 4.956 4.640 0.000 0.000 0.242 41 D C -0.616 175.494 176.300 -0.316 0.000 1.218 41 D CA 0.146 54.042 54.000 -0.173 0.000 0.945 41 D CB 0.844 41.566 40.800 -0.131 0.000 1.137 41 D HN 0.391 nan 8.370 nan 0.000 0.464 42 K N -0.155 119.996 120.400 -0.415 0.000 2.606 42 K HA 0.141 4.461 4.320 0.000 0.000 0.259 42 K C 0.654 176.909 176.600 -0.575 0.000 1.001 42 K CA -0.326 55.424 56.287 -0.896 0.000 0.881 42 K CB 1.377 33.247 32.500 -1.049 0.000 1.288 42 K HN 0.313 nan 8.250 nan 0.000 0.452 43 S N 2.769 118.235 115.700 -0.390 0.000 2.383 43 S HA -0.179 4.292 4.470 0.000 0.000 0.229 43 S C 1.635 176.372 174.600 0.227 0.000 1.030 43 S CA 1.019 59.248 58.200 0.047 0.000 1.002 43 S CB -0.592 62.726 63.200 0.196 0.000 0.829 43 S HN 0.503 nan 8.310 nan 0.000 0.467 44 F N 2.853 122.799 119.950 -0.007 0.000 2.338 44 F HA 0.037 4.564 4.527 0.000 0.000 0.305 44 F C 1.983 177.780 175.800 -0.005 0.000 1.288 44 F CA 0.566 58.562 58.000 -0.006 0.000 1.280 44 F CB -1.830 37.166 39.000 -0.006 0.000 0.893 44 F HN 0.498 nan 8.300 nan 0.000 0.591 45 G N -1.843 107.064 108.800 0.178 0.000 3.187 45 G HA2 0.594 4.554 3.960 0.000 0.000 0.175 45 G HA3 0.594 4.554 3.960 0.000 0.000 0.175 45 G C -0.942 173.959 174.900 0.001 0.000 1.112 45 G CA -0.172 44.971 45.100 0.072 0.000 0.821 45 G HN 0.578 nan 8.290 nan 0.000 0.636 46 A N 0.751 123.573 122.820 0.003 0.000 2.520 46 A HA 0.552 4.872 4.320 0.000 0.000 0.235 46 A C -1.835 175.718 177.584 -0.052 0.000 1.065 46 A CA -0.227 51.797 52.037 -0.021 0.000 0.764 46 A CB -0.627 18.368 19.000 -0.007 0.000 1.002 46 A HN 0.347 nan 8.150 nan 0.000 0.502 47 P HA 0.199 nan 4.420 nan 0.000 0.272 47 P C -0.094 177.170 177.300 -0.059 0.000 1.248 47 P CA 0.104 63.151 63.100 -0.088 0.000 0.799 47 P CB 0.388 32.045 31.700 -0.072 0.000 0.997 48 T N 0.940 115.457 114.554 -0.062 0.000 2.792 48 T HA 0.544 4.894 4.350 0.000 0.000 0.280 48 T C -0.131 174.551 174.700 -0.029 0.000 0.990 48 T CA -0.309 61.769 62.100 -0.035 0.000 0.960 48 T CB 0.028 68.876 68.868 -0.034 0.000 0.939 48 T HN 0.115 nan 8.240 nan 0.000 0.439 49 I N 3.017 123.576 120.570 -0.018 0.000 2.321 49 I HA 0.521 4.691 4.170 0.000 0.000 0.291 49 I C 0.539 176.651 176.117 -0.009 0.000 0.998 49 I CA -0.327 60.964 61.300 -0.014 0.000 1.227 49 I CB 1.627 39.620 38.000 -0.011 0.000 1.368 49 I HN 0.446 nan 8.210 nan 0.000 0.466 50 T N 4.277 118.825 114.554 -0.009 0.000 2.883 50 T HA 0.337 4.687 4.350 0.000 0.000 0.301 50 T C 0.048 174.746 174.700 -0.005 0.000 1.158 50 T CA -0.603 61.494 62.100 -0.005 0.000 1.007 50 T CB 1.815 70.680 68.868 -0.004 0.000 1.186 50 T HN 0.696 nan 8.240 nan 0.000 0.499 51 K N 1.107 121.506 120.400 -0.002 0.000 2.374 51 K HA 0.195 4.515 4.320 0.000 0.000 0.202 51 K C -0.476 176.124 176.600 -0.001 0.000 1.040 51 K CA -0.109 56.177 56.287 -0.001 0.000 1.085 51 K CB 0.366 32.867 32.500 0.001 0.000 0.873 51 K HN 0.536 nan 8.250 nan 0.000 0.539 52 D N -0.532 119.867 120.400 -0.002 0.000 2.359 52 D HA 0.147 4.787 4.640 0.000 0.000 0.230 52 D C 1.150 177.446 176.300 -0.006 0.000 1.118 52 D CA -0.177 53.820 54.000 -0.004 0.000 0.844 52 D CB 1.377 42.174 40.800 -0.004 0.000 1.059 52 D HN 0.163 nan 8.370 nan 0.000 0.493 53 G N 2.656 111.453 108.800 -0.006 0.000 2.513 53 G HA2 -0.286 3.674 3.960 0.000 0.000 0.219 53 G HA3 -0.286 3.674 3.960 0.000 0.000 0.219 53 G C 1.503 176.397 174.900 -0.010 0.000 1.160 53 G CA 0.926 46.023 45.100 -0.006 0.000 0.767 53 G HN 0.510 nan 8.290 nan 0.000 0.571 54 V N 0.431 120.335 119.914 -0.016 0.000 2.594 54 V HA -0.124 3.996 4.120 0.000 0.000 0.253 54 V C 2.865 178.950 176.094 -0.016 0.000 1.069 54 V CA 2.722 65.009 62.300 -0.021 0.000 1.082 54 V CB -0.320 31.483 31.823 -0.035 0.000 0.680 54 V HN 0.337 nan 8.190 nan 0.000 0.469 55 S N -0.430 115.263 115.700 -0.012 0.000 2.368 55 S HA -0.140 4.330 4.470 0.000 0.000 0.224 55 S C 1.842 176.438 174.600 -0.007 0.000 1.029 55 S CA 1.609 59.805 58.200 -0.006 0.000 0.988 55 S CB -0.092 63.106 63.200 -0.003 0.000 0.838 55 S HN 0.514 nan 8.310 nan 0.000 0.462 56 V N 2.031 121.940 119.914 -0.009 0.000 2.307 56 V HA -0.188 3.932 4.120 0.000 0.000 0.245 56 V C 2.630 178.718 176.094 -0.009 0.000 1.045 56 V CA 1.681 63.975 62.300 -0.010 0.000 1.024 56 V CB -1.282 30.536 31.823 -0.009 0.000 0.651 56 V HN 0.520 nan 8.190 nan 0.000 0.449 57 A N 0.701 123.515 122.820 -0.009 0.000 1.849 57 A HA -0.274 4.046 4.320 0.000 0.000 0.217 57 A C 2.262 179.841 177.584 -0.008 0.000 1.202 57 A CA 2.153 54.185 52.037 -0.008 0.000 0.629 57 A CB -0.691 18.303 19.000 -0.010 0.000 0.834 57 A HN 0.506 nan 8.150 nan 0.000 0.447 58 R N -0.273 120.222 120.500 -0.008 0.000 2.244 58 R HA -0.174 4.166 4.340 0.000 0.000 0.252 58 R C 1.321 177.621 176.300 0.001 0.000 1.177 58 R CA 1.392 57.489 56.100 -0.004 0.000 1.004 58 R CB -0.534 29.766 30.300 0.000 0.000 0.873 58 R HN 0.579 nan 8.270 nan 0.000 0.469 59 E N 0.359 120.557 120.200 -0.003 0.000 2.385 59 E HA 0.065 4.415 4.350 0.000 0.000 0.194 59 E C 0.647 177.243 176.600 -0.008 0.000 1.013 59 E CA 0.169 56.565 56.400 -0.006 0.000 0.866 59 E CB 0.219 29.909 29.700 -0.016 0.000 0.832 59 E HN 0.165 nan 8.360 nan 0.000 0.500 60 I N 2.180 122.746 120.570 -0.007 0.000 2.396 60 I HA 0.149 4.319 4.170 0.000 0.000 0.289 60 I C 0.405 176.519 176.117 -0.006 0.000 1.056 60 I CA 0.143 61.439 61.300 -0.007 0.000 1.365 60 I CB 0.269 38.266 38.000 -0.005 0.000 1.407 60 I HN -0.048 nan 8.210 nan 0.000 0.509 61 E N 6.207 126.403 120.200 -0.006 0.000 2.308 61 E HA 0.523 4.873 4.350 0.000 0.000 0.275 61 E C -1.881 174.715 176.600 -0.007 0.000 0.890 61 E CA -0.677 55.718 56.400 -0.008 0.000 0.754 61 E CB 2.189 31.884 29.700 -0.008 0.000 1.207 61 E HN 0.232 nan 8.360 nan 0.000 0.426 62 L N 2.999 124.218 121.223 -0.007 0.000 2.313 62 L HA 0.322 4.662 4.340 0.000 0.000 0.268 62 L C 1.220 178.086 176.870 -0.006 0.000 1.010 62 L CA -0.092 54.746 54.840 -0.003 0.000 0.814 62 L CB 1.417 43.480 42.059 0.006 0.000 1.304 62 L HN 0.859 nan 8.230 nan 0.000 0.441 63 E N 0.001 120.201 120.200 -0.001 0.000 2.122 63 E HA -0.097 4.253 4.350 0.000 0.000 0.190 63 E C 0.216 176.815 176.600 -0.002 0.000 0.977 63 E CA 0.310 56.708 56.400 -0.003 0.000 0.820 63 E CB 0.184 29.885 29.700 0.001 0.000 0.770 63 E HN 0.626 nan 8.360 nan 0.000 0.462 64 D N 0.989 121.399 120.400 0.017 0.000 2.363 64 D HA -0.055 4.585 4.640 0.000 0.000 0.263 64 D C 0.535 176.842 176.300 0.012 0.000 1.258 64 D CA 0.033 54.058 54.000 0.042 0.000 0.907 64 D CB 0.822 41.669 40.800 0.078 0.000 1.107 64 D HN 0.058 nan 8.370 nan 0.000 0.495 65 K N 3.371 123.735 120.400 -0.061 0.000 2.211 65 K HA -0.150 4.170 4.320 0.000 0.000 0.204 65 K C 1.595 178.037 176.600 -0.264 0.000 1.047 65 K CA 0.961 57.126 56.287 -0.204 0.000 0.935 65 K CB -0.101 32.189 32.500 -0.350 0.000 0.728 65 K HN 0.505 nan 8.250 nan 0.000 0.452 66 F N 1.069 121.007 119.950 -0.020 0.000 2.219 66 F HA 0.016 4.543 4.527 0.000 0.000 0.294 66 F C 2.340 178.130 175.800 -0.017 0.000 1.086 66 F CA 0.664 58.651 58.000 -0.023 0.000 1.330 66 F CB -0.284 38.701 39.000 -0.025 0.000 1.047 66 F HN 0.042 nan 8.300 nan 0.000 0.495 67 E N 0.205 120.509 120.200 0.173 0.000 2.085 67 E HA -0.265 4.085 4.350 0.000 0.000 0.194 67 E C 1.868 178.499 176.600 0.051 0.000 0.994 67 E CA 1.349 57.805 56.400 0.093 0.000 0.801 67 E CB -0.293 29.448 29.700 0.069 0.000 0.743 67 E HN 0.250 nan 8.360 nan 0.000 0.453 68 N N 0.658 119.372 118.700 0.024 0.000 2.036 68 N HA -0.207 4.533 4.740 0.000 0.000 0.195 68 N C 1.745 177.252 175.510 -0.004 0.000 1.037 68 N CA 1.611 54.659 53.050 -0.004 0.000 0.855 68 N CB -0.089 38.379 38.487 -0.032 0.000 1.033 68 N HN 0.076 nan 8.380 nan 0.000 0.423 69 M N -0.593 119.002 119.600 -0.009 0.000 2.106 69 M HA -0.121 4.359 4.480 0.000 0.000 0.259 69 M C 2.154 178.466 176.300 0.020 0.000 1.068 69 M CA 1.863 57.162 55.300 -0.002 0.000 1.100 69 M CB -0.710 31.892 32.600 0.003 0.000 1.351 69 M HN 0.364 nan 8.290 nan 0.000 0.404 70 G N -0.245 108.578 108.800 0.039 0.000 2.459 70 G HA2 -0.216 3.744 3.960 0.000 0.000 0.217 70 G HA3 -0.216 3.744 3.960 0.000 0.000 0.217 70 G C 1.577 176.490 174.900 0.020 0.000 1.183 70 G CA 1.122 46.243 45.100 0.034 0.000 0.776 70 G HN 0.572 nan 8.290 nan 0.000 0.552 71 A N -0.435 122.394 122.820 0.016 0.000 1.930 71 A HA -0.018 4.302 4.320 0.000 0.000 0.217 71 A C 2.346 179.932 177.584 0.003 0.000 1.175 71 A CA 1.779 53.821 52.037 0.009 0.000 0.627 71 A CB -0.257 18.747 19.000 0.006 0.000 0.815 71 A HN 0.329 nan 8.150 nan 0.000 0.443 72 Q N -0.994 118.806 119.800 -0.001 0.000 2.378 72 Q HA 0.062 4.402 4.340 0.000 0.000 0.205 72 Q C 1.936 177.933 176.000 -0.005 0.000 0.954 72 Q CA 0.837 56.636 55.803 -0.007 0.000 0.901 72 Q CB -0.177 28.553 28.738 -0.013 0.000 0.981 72 Q HN 0.775 nan 8.270 nan 0.000 0.483 73 M N -0.404 119.197 119.600 0.002 0.000 2.171 73 M HA -0.101 4.379 4.480 0.000 0.000 0.260 73 M C 2.223 178.527 176.300 0.006 0.000 1.087 73 M CA 1.009 56.312 55.300 0.005 0.000 1.154 73 M CB -0.261 32.346 32.600 0.012 0.000 1.331 73 M HN 0.004 nan 8.290 nan 0.000 0.431 74 V N -0.352 119.568 119.914 0.010 0.000 2.469 74 V HA -0.276 3.844 4.120 0.000 0.000 0.251 74 V C 2.140 178.236 176.094 0.003 0.000 1.064 74 V CA 1.989 64.296 62.300 0.011 0.000 1.066 74 V CB -1.421 30.410 31.823 0.013 0.000 0.667 74 V HN 0.510 nan 8.190 nan 0.000 0.461 75 K N 0.549 120.947 120.400 -0.002 0.000 2.228 75 K HA -0.296 4.024 4.320 0.000 0.000 0.205 75 K C 2.201 178.788 176.600 -0.022 0.000 1.045 75 K CA 2.114 58.394 56.287 -0.011 0.000 0.931 75 K CB -0.174 32.319 32.500 -0.011 0.000 0.727 75 K HN 0.697 nan 8.250 nan 0.000 0.458 76 E N 0.290 120.476 120.200 -0.023 0.000 2.358 76 E HA -0.104 4.246 4.350 0.000 0.000 0.195 76 E C 1.822 178.384 176.600 -0.063 0.000 1.010 76 E CA 0.613 56.986 56.400 -0.045 0.000 0.856 76 E CB 0.235 29.913 29.700 -0.037 0.000 0.795 76 E HN 0.312 nan 8.360 nan 0.000 0.504 77 V N -0.272 119.628 119.914 -0.022 0.000 2.323 77 V HA -0.096 4.024 4.120 0.000 0.000 0.244 77 V C 2.212 178.291 176.094 -0.026 0.000 1.041 77 V CA 1.856 64.158 62.300 0.003 0.000 1.025 77 V CB -0.449 31.408 31.823 0.056 0.000 0.656 77 V HN 0.244 nan 8.190 nan 0.000 0.451 78 A N 0.124 122.933 122.820 -0.018 0.000 1.940 78 A HA -0.200 4.120 4.320 0.000 0.000 0.219 78 A C 2.619 180.169 177.584 -0.057 0.000 1.176 78 A CA 2.579 54.602 52.037 -0.023 0.000 0.631 78 A CB -1.107 17.885 19.000 -0.014 0.000 0.814 78 A HN 0.797 nan 8.150 nan 0.000 0.446 79 S N -1.000 114.654 115.700 -0.077 0.000 2.357 79 S HA -0.132 4.338 4.470 0.000 0.000 0.221 79 S C 2.186 176.689 174.600 -0.162 0.000 1.031 79 S CA 1.485 59.627 58.200 -0.097 0.000 0.982 79 S CB -0.265 62.886 63.200 -0.081 0.000 0.853 79 S HN 0.428 nan 8.310 nan 0.000 0.458 80 K N 1.253 121.494 120.400 -0.265 0.000 2.025 80 K HA 0.097 4.417 4.320 0.000 0.000 0.207 80 K C 2.404 178.679 176.600 -0.541 0.000 1.049 80 K CA 1.191 57.169 56.287 -0.514 0.000 0.933 80 K CB -1.057 30.923 32.500 -0.866 0.000 0.714 80 K HN 0.427 nan 8.250 nan 0.000 0.438 81 A N 2.158 124.774 122.820 -0.340 0.000 1.940 81 A HA -0.271 4.049 4.320 0.000 0.000 0.221 81 A C 2.020 179.585 177.584 -0.033 0.000 1.190 81 A CA 2.257 54.291 52.037 -0.005 0.000 0.647 81 A CB -0.807 18.237 19.000 0.073 0.000 0.821 81 A HN 0.540 nan 8.150 nan 0.000 0.457 82 N N -0.971 117.674 118.700 -0.091 0.000 2.250 82 N HA -0.144 4.596 4.740 0.000 0.000 0.181 82 N C 0.753 176.199 175.510 -0.108 0.000 1.017 82 N CA 1.317 54.310 53.050 -0.096 0.000 0.866 82 N CB -0.165 38.265 38.487 -0.094 0.000 0.985 82 N HN 0.371 nan 8.380 nan 0.000 0.429 83 D N 0.513 120.849 120.400 -0.107 0.000 2.269 83 D HA -0.001 4.639 4.640 0.000 0.000 0.208 83 D C 1.628 177.914 176.300 -0.024 0.000 0.963 83 D CA 0.442 54.399 54.000 -0.071 0.000 0.864 83 D CB 0.029 40.778 40.800 -0.085 0.000 0.936 83 D HN 0.382 nan 8.370 nan 0.000 0.505 84 A N 0.428 123.243 122.820 -0.008 0.000 1.861 84 A HA 0.299 4.619 4.320 0.000 0.000 0.212 84 A C 1.897 179.537 177.584 0.093 0.000 1.199 84 A CA 1.604 53.697 52.037 0.094 0.000 0.613 84 A CB 0.061 19.220 19.000 0.264 0.000 0.846 84 A HN 0.189 nan 8.150 nan 0.000 0.446 85 A N -2.592 120.267 122.820 0.064 0.000 2.671 85 A HA 0.477 4.797 4.320 0.000 0.000 0.265 85 A C 1.402 178.984 177.584 -0.002 0.000 1.148 85 A CA 0.977 53.055 52.037 0.068 0.000 0.977 85 A CB -0.477 18.570 19.000 0.078 0.000 1.242 85 A HN 1.910 nan 8.150 nan 0.000 0.591 86 G N -0.069 108.641 108.800 -0.150 0.000 2.321 86 G HA2 -0.174 3.786 3.960 0.000 0.000 0.287 86 G HA3 -0.174 3.786 3.960 0.000 0.000 0.287 86 G C -0.195 174.610 174.900 -0.159 0.000 1.018 86 G CA 0.906 45.785 45.100 -0.368 0.000 0.855 86 G HN 0.738 nan 8.290 nan 0.000 0.507 87 D N -2.593 117.775 120.400 -0.053 0.000 2.694 87 D HA 0.517 5.157 4.640 0.000 0.000 0.260 87 D C 0.872 177.179 176.300 0.011 0.000 1.250 87 D CA 0.950 54.944 54.000 -0.010 0.000 0.763 87 D CB 0.533 41.346 40.800 0.021 0.000 1.311 87 D HN 1.279 nan 8.370 nan 0.000 0.420 88 G N 0.298 109.107 108.800 0.016 0.000 2.159 88 G HA2 -0.331 3.629 3.960 0.000 0.000 0.256 88 G HA3 -0.331 3.629 3.960 0.000 0.000 0.256 88 G C 1.031 175.948 174.900 0.029 0.000 0.977 88 G CA 1.795 46.911 45.100 0.027 0.000 0.652 88 G HN 0.871 nan 8.290 nan 0.000 0.531 89 T N -2.358 112.205 114.554 0.015 0.000 2.759 89 T HA -0.129 4.221 4.350 0.000 0.000 0.269 89 T C 2.230 176.938 174.700 0.013 0.000 1.042 89 T CA 2.598 64.704 62.100 0.010 0.000 1.140 89 T CB -0.672 68.190 68.868 -0.010 0.000 0.864 89 T HN 0.382 nan 8.240 nan 0.000 0.455 90 T N 1.803 116.363 114.554 0.011 0.000 2.737 90 T HA -0.075 4.275 4.350 0.000 0.000 0.265 90 T C 2.273 176.984 174.700 0.018 0.000 1.038 90 T CA 1.727 63.834 62.100 0.012 0.000 1.144 90 T CB -0.995 67.878 68.868 0.009 0.000 0.866 90 T HN 0.497 nan 8.240 nan 0.000 0.434 91 T N 2.316 116.883 114.554 0.021 0.000 2.607 91 T HA -0.155 4.195 4.350 0.000 0.000 0.267 91 T C 2.375 177.093 174.700 0.030 0.000 1.049 91 T CA 1.472 63.587 62.100 0.025 0.000 1.162 91 T CB -0.803 68.081 68.868 0.027 0.000 0.863 91 T HN 0.450 nan 8.240 nan 0.000 0.424 92 A N 1.354 124.198 122.820 0.040 0.000 1.859 92 A HA -0.254 4.066 4.320 0.000 0.000 0.218 92 A C 2.564 180.174 177.584 0.042 0.000 1.209 92 A CA 2.764 54.834 52.037 0.055 0.000 0.639 92 A CB -1.625 17.423 19.000 0.079 0.000 0.835 92 A HN 0.497 nan 8.150 nan 0.000 0.450 93 T N -0.369 114.204 114.554 0.031 0.000 2.653 93 T HA -0.196 4.154 4.350 0.000 0.000 0.268 93 T C 1.866 176.579 174.700 0.022 0.000 1.035 93 T CA 1.922 64.036 62.100 0.023 0.000 1.154 93 T CB -0.649 68.228 68.868 0.014 0.000 0.862 93 T HN 0.191 nan 8.240 nan 0.000 0.441 94 V N 1.219 121.146 119.914 0.020 0.000 2.332 94 V HA -0.153 3.967 4.120 0.000 0.000 0.248 94 V C 2.499 178.605 176.094 0.019 0.000 1.055 94 V CA 1.569 63.880 62.300 0.018 0.000 1.038 94 V CB -0.669 31.165 31.823 0.017 0.000 0.651 94 V HN 0.440 nan 8.190 nan 0.000 0.450 95 L N -0.204 121.033 121.223 0.023 0.000 2.046 95 L HA -0.179 4.161 4.340 0.000 0.000 0.208 95 L C 2.716 179.600 176.870 0.023 0.000 1.077 95 L CA 1.622 56.476 54.840 0.023 0.000 0.747 95 L CB -0.725 41.349 42.059 0.025 0.000 0.896 95 L HN 0.379 nan 8.230 nan 0.000 0.432 96 A N 0.126 122.963 122.820 0.028 0.000 1.877 96 A HA -0.293 4.027 4.320 0.000 0.000 0.216 96 A C 2.180 179.778 177.584 0.022 0.000 1.186 96 A CA 1.805 53.859 52.037 0.028 0.000 0.620 96 A CB -0.670 18.350 19.000 0.033 0.000 0.822 96 A HN 0.538 nan 8.150 nan 0.000 0.443 97 Q N -0.051 119.761 119.800 0.019 0.000 2.297 97 Q HA -0.032 4.308 4.340 0.000 0.000 0.208 97 Q C 1.714 177.723 176.000 0.014 0.000 0.981 97 Q CA 2.157 57.969 55.803 0.016 0.000 0.876 97 Q CB -0.414 28.333 28.738 0.014 0.000 0.921 97 Q HN 0.531 nan 8.270 nan 0.000 0.446 98 A N 0.706 123.535 122.820 0.015 0.000 1.861 98 A HA 0.044 4.364 4.320 0.000 0.000 0.212 98 A C 2.097 179.689 177.584 0.013 0.000 1.199 98 A CA 0.972 53.017 52.037 0.013 0.000 0.613 98 A CB -0.526 18.482 19.000 0.013 0.000 0.846 98 A HN 0.433 nan 8.150 nan 0.000 0.446 99 I N 0.053 120.632 120.570 0.015 0.000 2.151 99 I HA -0.313 3.857 4.170 0.000 0.000 0.243 99 I C 2.349 178.475 176.117 0.014 0.000 1.080 99 I CA 1.595 62.904 61.300 0.014 0.000 1.339 99 I CB -0.547 37.463 38.000 0.017 0.000 1.039 99 I HN 0.313 nan 8.210 nan 0.000 0.409 100 I N 0.361 120.941 120.570 0.016 0.000 2.142 100 I HA -0.288 3.882 4.170 0.000 0.000 0.240 100 I C 2.648 178.773 176.117 0.013 0.000 1.078 100 I CA 1.735 63.044 61.300 0.016 0.000 1.343 100 I CB -0.707 37.304 38.000 0.017 0.000 1.046 100 I HN 0.214 nan 8.210 nan 0.000 0.405 101 T N 0.142 114.703 114.554 0.012 0.000 2.607 101 T HA -0.211 4.139 4.350 0.000 0.000 0.267 101 T C 1.887 176.592 174.700 0.009 0.000 1.049 101 T CA 1.547 63.653 62.100 0.010 0.000 1.162 101 T CB -0.222 68.651 68.868 0.009 0.000 0.863 101 T HN 0.246 nan 8.240 nan 0.000 0.424 102 E N 0.535 120.740 120.200 0.009 0.000 2.051 102 E HA -0.020 4.330 4.350 0.000 0.000 0.192 102 E C 2.514 179.119 176.600 0.008 0.000 0.991 102 E CA 1.233 57.637 56.400 0.008 0.000 0.799 102 E CB -1.067 28.638 29.700 0.008 0.000 0.748 102 E HN 0.540 nan 8.360 nan 0.000 0.449 103 G N 1.366 110.171 108.800 0.010 0.000 2.491 103 G HA2 -0.258 3.702 3.960 0.000 0.000 0.218 103 G HA3 -0.258 3.702 3.960 0.000 0.000 0.218 103 G C 1.718 176.624 174.900 0.010 0.000 1.180 103 G CA 0.903 46.009 45.100 0.010 0.000 0.774 103 G HN 0.237 nan 8.290 nan 0.000 0.562 104 L N 0.131 121.360 121.223 0.010 0.000 2.127 104 L HA -0.110 4.230 4.340 0.000 0.000 0.211 104 L C 2.847 179.722 176.870 0.008 0.000 1.089 104 L CA 1.570 56.416 54.840 0.010 0.000 0.757 104 L CB -0.347 41.718 42.059 0.010 0.000 0.899 104 L HN 0.276 nan 8.230 nan 0.000 0.434 105 K N 0.153 120.557 120.400 0.007 0.000 2.148 105 K HA -0.134 4.186 4.320 0.000 0.000 0.204 105 K C 2.029 178.632 176.600 0.005 0.000 1.050 105 K CA 1.175 57.465 56.287 0.005 0.000 0.942 105 K CB 0.026 32.529 32.500 0.005 0.000 0.724 105 K HN 0.284 nan 8.250 nan 0.000 0.446 106 A N 0.148 122.972 122.820 0.006 0.000 2.072 106 A HA 0.004 4.324 4.320 0.000 0.000 0.216 106 A C 1.999 179.587 177.584 0.006 0.000 1.156 106 A CA 0.616 52.657 52.037 0.006 0.000 0.701 106 A CB -0.048 18.956 19.000 0.006 0.000 0.816 106 A HN 0.127 nan 8.150 nan 0.000 0.458 107 V N -0.157 119.761 119.914 0.008 0.000 2.427 107 V HA -0.186 3.934 4.120 0.000 0.000 0.248 107 V C 2.922 179.020 176.094 0.007 0.000 1.051 107 V CA 1.729 64.034 62.300 0.009 0.000 1.048 107 V CB -0.957 30.873 31.823 0.012 0.000 0.666 107 V HN 0.561 nan 8.190 nan 0.000 0.456 108 A N -0.057 122.766 122.820 0.006 0.000 2.119 108 A HA 0.093 4.413 4.320 0.000 0.000 0.217 108 A C 2.265 179.851 177.584 0.003 0.000 1.153 108 A CA 1.412 53.451 52.037 0.004 0.000 0.692 108 A CB -0.446 18.556 19.000 0.003 0.000 0.799 108 A HN 0.542 nan 8.150 nan 0.000 0.458 109 A N -1.613 121.209 122.820 0.003 0.000 2.167 109 A HA 0.382 4.702 4.320 0.000 0.000 0.214 109 A C 1.765 179.351 177.584 0.002 0.000 1.151 109 A CA 1.321 53.359 52.037 0.002 0.000 0.735 109 A CB -0.733 18.268 19.000 0.002 0.000 0.802 109 A HN 1.807 nan 8.150 nan 0.000 0.467 110 G N -2.044 106.758 108.800 0.003 0.000 2.134 110 G HA2 -0.205 3.755 3.960 0.000 0.000 0.209 110 G HA3 -0.205 3.755 3.960 0.000 0.000 0.209 110 G C 0.101 175.003 174.900 0.004 0.000 0.993 110 G CA 0.164 45.266 45.100 0.003 0.000 0.669 110 G HN 0.353 nan 8.290 nan 0.000 0.519 111 M N 0.537 120.139 119.600 0.005 0.000 2.240 111 M HA 0.275 4.755 4.480 0.000 0.000 0.333 111 M C 0.809 177.114 176.300 0.007 0.000 1.110 111 M CA -0.487 54.816 55.300 0.005 0.000 1.173 111 M CB 0.425 33.029 32.600 0.006 0.000 1.458 111 M HN 0.198 nan 8.290 nan 0.000 0.458 112 N N 2.903 121.608 118.700 0.007 0.000 2.399 112 N HA 0.142 4.882 4.740 0.000 0.000 0.259 112 N C -2.203 173.313 175.510 0.010 0.000 1.160 112 N CA -1.727 51.328 53.050 0.009 0.000 0.946 112 N CB 0.713 39.205 38.487 0.008 0.000 1.156 112 N HN 0.211 nan 8.380 nan 0.000 0.489 113 P HA -0.168 nan 4.420 nan 0.000 0.216 113 P C 1.551 178.859 177.300 0.014 0.000 1.150 113 P CA 1.147 64.255 63.100 0.014 0.000 0.843 113 P CB 0.153 31.863 31.700 0.018 0.000 0.787 114 M N -0.777 118.831 119.600 0.014 0.000 2.213 114 M HA -0.133 4.347 4.480 0.000 0.000 0.263 114 M C 1.239 177.546 176.300 0.011 0.000 1.062 114 M CA 1.644 56.952 55.300 0.013 0.000 1.105 114 M CB -1.448 31.160 32.600 0.013 0.000 1.385 114 M HN -0.053 nan 8.290 nan 0.000 0.417 115 D N -0.103 120.303 120.400 0.010 0.000 2.162 115 D HA -0.021 4.619 4.640 0.000 0.000 0.203 115 D C 2.213 178.517 176.300 0.008 0.000 0.967 115 D CA 0.734 54.738 54.000 0.008 0.000 0.840 115 D CB -0.048 40.757 40.800 0.007 0.000 0.972 115 D HN 0.309 nan 8.370 nan 0.000 0.482 116 L N 0.751 121.979 121.223 0.009 0.000 2.083 116 L HA -0.183 4.157 4.340 0.000 0.000 0.209 116 L C 2.481 179.357 176.870 0.009 0.000 1.083 116 L CA 1.134 55.979 54.840 0.009 0.000 0.752 116 L CB -0.281 41.783 42.059 0.010 0.000 0.899 116 L HN 0.022 nan 8.230 nan 0.000 0.433 117 K N 0.351 120.757 120.400 0.011 0.000 2.002 117 K HA -0.192 4.128 4.320 0.000 0.000 0.209 117 K C 2.271 178.876 176.600 0.009 0.000 1.048 117 K CA 1.278 57.572 56.287 0.011 0.000 0.930 117 K CB -0.047 32.461 32.500 0.014 0.000 0.714 117 K HN 0.150 nan 8.250 nan 0.000 0.438 118 R N -0.161 120.344 120.500 0.008 0.000 2.119 118 R HA -0.159 4.181 4.340 0.000 0.000 0.246 118 R C 2.445 178.748 176.300 0.005 0.000 1.146 118 R CA 1.588 57.692 56.100 0.007 0.000 0.962 118 R CB -0.761 29.543 30.300 0.006 0.000 0.863 118 R HN 0.471 nan 8.270 nan 0.000 0.442 119 G N 1.418 110.221 108.800 0.005 0.000 2.434 119 G HA2 -0.223 3.737 3.960 0.000 0.000 0.214 119 G HA3 -0.223 3.737 3.960 0.000 0.000 0.214 119 G C 1.511 176.414 174.900 0.004 0.000 1.202 119 G CA 0.620 45.722 45.100 0.004 0.000 0.788 119 G HN 0.151 nan 8.290 nan 0.000 0.539 120 I N 1.282 121.855 120.570 0.005 0.000 2.113 120 I HA -0.231 3.939 4.170 0.000 0.000 0.242 120 I C 2.395 178.514 176.117 0.002 0.000 1.064 120 I CA 1.687 62.990 61.300 0.005 0.000 1.320 120 I CB -0.172 37.833 38.000 0.008 0.000 1.028 120 I HN 0.078 nan 8.210 nan 0.000 0.406 121 D N 0.407 120.809 120.400 0.003 0.000 2.117 121 D HA -0.204 4.436 4.640 0.000 0.000 0.197 121 D C 2.076 178.374 176.300 -0.003 0.000 0.987 121 D CA 1.211 55.211 54.000 -0.000 0.000 0.829 121 D CB -0.234 40.567 40.800 0.002 0.000 0.961 121 D HN 0.318 nan 8.370 nan 0.000 0.460 122 K N 1.005 121.404 120.400 -0.001 0.000 2.009 122 K HA -0.137 4.183 4.320 0.000 0.000 0.210 122 K C 2.072 178.670 176.600 -0.003 0.000 1.049 122 K CA 1.546 57.832 56.287 -0.002 0.000 0.929 122 K CB -0.164 32.336 32.500 0.000 0.000 0.714 122 K HN 0.000 nan 8.250 nan 0.000 0.440 123 A N 0.543 123.362 122.820 -0.001 0.000 1.927 123 A HA -0.180 4.140 4.320 0.000 0.000 0.220 123 A C 2.286 179.867 177.584 -0.005 0.000 1.185 123 A CA 2.118 54.154 52.037 -0.002 0.000 0.639 123 A CB -0.833 18.168 19.000 0.000 0.000 0.820 123 A HN 0.223 nan 8.150 nan 0.000 0.451 124 V N -0.545 119.365 119.914 -0.007 0.000 2.379 124 V HA -0.174 3.946 4.120 0.000 0.000 0.245 124 V C 2.694 178.777 176.094 -0.019 0.000 1.044 124 V CA 2.289 64.581 62.300 -0.014 0.000 1.036 124 V CB -1.092 30.720 31.823 -0.019 0.000 0.664 124 V HN 0.637 nan 8.190 nan 0.000 0.453 125 T N 0.536 115.080 114.554 -0.016 0.000 2.803 125 T HA -0.168 4.182 4.350 0.000 0.000 0.269 125 T C 1.990 176.682 174.700 -0.013 0.000 1.052 125 T CA 1.537 63.627 62.100 -0.017 0.000 1.136 125 T CB -0.339 68.522 68.868 -0.012 0.000 0.864 125 T HN 0.560 nan 8.240 nan 0.000 0.467 126 A N 1.520 124.334 122.820 -0.010 0.000 1.854 126 A HA 0.323 4.643 4.320 0.000 0.000 0.214 126 A C 2.709 180.289 177.584 -0.007 0.000 1.192 126 A CA 1.497 53.530 52.037 -0.007 0.000 0.611 126 A CB -1.210 17.787 19.000 -0.004 0.000 0.832 126 A HN 0.482 nan 8.150 nan 0.000 0.442 127 A N -0.413 122.402 122.820 -0.008 0.000 1.940 127 A HA -0.061 4.259 4.320 0.000 0.000 0.219 127 A C 2.216 179.794 177.584 -0.012 0.000 1.176 127 A CA 1.968 54.000 52.037 -0.008 0.000 0.631 127 A CB -0.975 18.020 19.000 -0.008 0.000 0.814 127 A HN 0.410 nan 8.150 nan 0.000 0.446 128 V N -0.130 119.773 119.914 -0.019 0.000 2.343 128 V HA -0.204 3.916 4.120 0.000 0.000 0.247 128 V C 2.616 178.701 176.094 -0.015 0.000 1.051 128 V CA 2.165 64.451 62.300 -0.023 0.000 1.036 128 V CB -0.729 31.073 31.823 -0.035 0.000 0.654 128 V HN 0.469 nan 8.190 nan 0.000 0.451 129 E N -0.014 120.179 120.200 -0.012 0.000 2.058 129 E HA -0.188 4.162 4.350 0.000 0.000 0.194 129 E C 2.323 178.920 176.600 -0.004 0.000 0.997 129 E CA 1.070 57.466 56.400 -0.007 0.000 0.801 129 E CB -0.391 29.306 29.700 -0.006 0.000 0.746 129 E HN 0.501 nan 8.360 nan 0.000 0.450 130 E N 0.399 120.597 120.200 -0.003 0.000 2.070 130 E HA -0.166 4.184 4.350 0.000 0.000 0.197 130 E C 2.386 178.987 176.600 0.002 0.000 1.004 130 E CA 0.691 57.091 56.400 0.001 0.000 0.805 130 E CB -0.405 29.297 29.700 0.002 0.000 0.744 130 E HN 0.287 nan 8.360 nan 0.000 0.451 131 L N 0.617 121.839 121.223 -0.001 0.000 2.046 131 L HA -0.196 4.144 4.340 0.000 0.000 0.208 131 L C 2.436 179.306 176.870 0.001 0.000 1.077 131 L CA 1.323 56.164 54.840 0.001 0.000 0.747 131 L CB -0.337 41.720 42.059 -0.003 0.000 0.896 131 L HN 0.053 nan 8.230 nan 0.000 0.432 132 K N -0.159 120.240 120.400 -0.002 0.000 2.280 132 K HA -0.106 4.214 4.320 0.000 0.000 0.202 132 K C 2.126 178.727 176.600 0.002 0.000 1.047 132 K CA 1.087 57.374 56.287 -0.001 0.000 0.942 132 K CB -0.136 32.362 32.500 -0.003 0.000 0.739 132 K HN 0.313 nan 8.250 nan 0.000 0.457 133 A N 0.862 123.683 122.820 0.003 0.000 1.898 133 A HA -0.069 4.251 4.320 0.000 0.000 0.214 133 A C 1.935 179.523 177.584 0.007 0.000 1.183 133 A CA 0.890 52.929 52.037 0.004 0.000 0.622 133 A CB -0.234 18.769 19.000 0.004 0.000 0.824 133 A HN 0.105 nan 8.150 nan 0.000 0.444 134 L N -0.016 121.212 121.223 0.009 0.000 2.291 134 L HA 0.082 4.422 4.340 0.000 0.000 0.214 134 L C 1.467 178.345 176.870 0.012 0.000 1.120 134 L CA 0.815 55.662 54.840 0.012 0.000 0.799 134 L CB -0.491 41.577 42.059 0.014 0.000 0.925 134 L HN 0.258 nan 8.230 nan 0.000 0.446 135 S N -0.614 115.091 115.700 0.010 0.000 2.537 135 S HA 0.319 4.789 4.470 0.000 0.000 0.286 135 S C -0.288 174.318 174.600 0.010 0.000 1.299 135 S CA -0.461 57.745 58.200 0.010 0.000 1.067 135 S CB 0.228 63.433 63.200 0.008 0.000 0.864 135 S HN 0.111 nan 8.310 nan 0.000 0.494 136 V N 3.781 123.701 119.914 0.011 0.000 2.628 136 V HA 0.726 4.846 4.120 0.000 0.000 0.306 136 V C -2.824 173.276 176.094 0.010 0.000 1.045 136 V CA -2.860 59.447 62.300 0.010 0.000 0.905 136 V CB 1.107 32.937 31.823 0.011 0.000 0.997 136 V HN 0.611 nan 8.190 nan 0.000 0.436 137 P HA 0.181 nan 4.420 nan 0.000 0.266 137 P C -0.564 176.741 177.300 0.009 0.000 1.195 137 P CA -0.010 63.095 63.100 0.008 0.000 0.768 137 P CB 0.427 32.131 31.700 0.007 0.000 0.838 138 C N 3.487 122.792 119.300 0.009 0.000 2.258 138 C HA 0.528 4.988 4.460 0.000 0.000 0.321 138 C C 1.286 176.280 174.990 0.007 0.000 1.168 138 C CA 0.518 59.541 59.018 0.009 0.000 1.531 138 C CB -1.277 26.470 27.740 0.010 0.000 2.095 138 C HN 0.700 nan 8.230 nan 0.000 0.449 139 S N 2.305 118.008 115.700 0.006 0.000 2.691 139 S HA 0.180 4.650 4.470 0.000 0.000 0.258 139 S C -0.058 174.544 174.600 0.004 0.000 1.078 139 S CA 0.234 58.436 58.200 0.005 0.000 1.000 139 S CB -0.453 62.749 63.200 0.004 0.000 0.942 139 S HN 0.840 nan 8.310 nan 0.000 0.521 140 D N 1.578 121.981 120.400 0.004 0.000 2.344 140 D HA 0.466 5.106 4.640 0.000 0.000 0.244 140 D C 0.922 177.223 176.300 0.003 0.000 1.134 140 D CA -0.299 53.703 54.000 0.003 0.000 0.930 140 D CB 0.750 41.552 40.800 0.003 0.000 1.175 140 D HN -0.032 nan 8.370 nan 0.000 0.437 141 S N -0.389 115.312 115.700 0.002 0.000 2.399 141 S HA -0.180 4.290 4.470 0.000 0.000 0.231 141 S C 1.573 176.174 174.600 0.002 0.000 1.022 141 S CA 1.019 59.220 58.200 0.001 0.000 0.983 141 S CB -0.364 62.836 63.200 0.000 0.000 0.803 141 S HN 0.619 nan 8.310 nan 0.000 0.480 142 K N 1.225 121.626 120.400 0.002 0.000 2.025 142 K HA -0.046 4.274 4.320 0.000 0.000 0.207 142 K C 2.167 178.768 176.600 0.003 0.000 1.049 142 K CA 1.268 57.556 56.287 0.002 0.000 0.933 142 K CB -0.378 32.123 32.500 0.002 0.000 0.714 142 K HN 0.281 nan 8.250 nan 0.000 0.438 143 A N 1.657 124.480 122.820 0.004 0.000 1.873 143 A HA -0.106 4.214 4.320 0.000 0.000 0.215 143 A C 2.129 179.717 177.584 0.006 0.000 1.186 143 A CA 1.418 53.458 52.037 0.005 0.000 0.616 143 A CB -0.595 18.409 19.000 0.007 0.000 0.823 143 A HN 0.361 nan 8.150 nan 0.000 0.442 144 I N -0.095 120.478 120.570 0.006 0.000 2.118 144 I HA -0.361 3.809 4.170 0.000 0.000 0.241 144 I C 3.001 179.121 176.117 0.006 0.000 1.070 144 I CA 1.366 62.669 61.300 0.006 0.000 1.327 144 I CB -0.514 37.488 38.000 0.004 0.000 1.034 144 I HN 0.383 nan 8.210 nan 0.000 0.405 145 A N -0.113 122.709 122.820 0.004 0.000 1.978 145 A HA -0.292 4.028 4.320 0.000 0.000 0.220 145 A C 2.220 179.806 177.584 0.003 0.000 1.170 145 A CA 1.840 53.878 52.037 0.003 0.000 0.636 145 A CB -0.628 18.372 19.000 0.001 0.000 0.810 145 A HN 0.512 nan 8.150 nan 0.000 0.448 146 Q N -0.936 118.866 119.800 0.003 0.000 2.123 146 Q HA -0.073 4.267 4.340 0.000 0.000 0.199 146 Q C 2.250 178.254 176.000 0.005 0.000 0.966 146 Q CA 1.602 57.407 55.803 0.003 0.000 0.845 146 Q CB -0.300 28.439 28.738 0.002 0.000 0.907 146 Q HN 0.693 nan 8.270 nan 0.000 0.439 147 V N -0.937 118.982 119.914 0.009 0.000 2.323 147 V HA -0.065 4.055 4.120 0.000 0.000 0.244 147 V C 1.901 178.004 176.094 0.015 0.000 1.041 147 V CA 2.270 64.578 62.300 0.013 0.000 1.025 147 V CB -1.137 30.697 31.823 0.017 0.000 0.656 147 V HN 0.387 nan 8.190 nan 0.000 0.451 148 G N -0.202 108.607 108.800 0.014 0.000 2.529 148 G HA2 -0.316 3.644 3.960 0.000 0.000 0.219 148 G HA3 -0.316 3.644 3.960 0.000 0.000 0.219 148 G C 1.636 176.543 174.900 0.012 0.000 1.177 148 G CA 1.860 46.969 45.100 0.015 0.000 0.773 148 G HN 0.515 nan 8.290 nan 0.000 0.573 149 T N 0.747 115.305 114.554 0.007 0.000 2.708 149 T HA -0.090 4.260 4.350 0.000 0.000 0.266 149 T C 2.348 177.050 174.700 0.003 0.000 1.037 149 T CA 1.145 63.247 62.100 0.003 0.000 1.146 149 T CB -0.154 68.714 68.868 -0.001 0.000 0.865 149 T HN 0.157 nan 8.240 nan 0.000 0.435 150 I N 0.653 121.225 120.570 0.003 0.000 2.394 150 I HA -0.092 4.078 4.170 0.000 0.000 0.251 150 I C 2.584 178.706 176.117 0.007 0.000 1.136 150 I CA 0.825 62.126 61.300 0.002 0.000 1.425 150 I CB -0.225 37.776 38.000 0.002 0.000 1.079 150 I HN 0.135 nan 8.210 nan 0.000 0.425 151 S N 0.264 115.972 115.700 0.014 0.000 2.383 151 S HA -0.006 4.464 4.470 0.000 0.000 0.227 151 S C 1.778 176.389 174.600 0.018 0.000 1.026 151 S CA 0.904 59.116 58.200 0.020 0.000 0.981 151 S CB -0.297 62.921 63.200 0.031 0.000 0.818 151 S HN 0.434 nan 8.310 nan 0.000 0.472 152 A N 1.418 124.248 122.820 0.015 0.000 2.840 152 A HA 0.343 4.663 4.320 0.000 0.000 0.269 152 A C 0.601 178.189 177.584 0.007 0.000 1.439 152 A CA 0.023 52.068 52.037 0.013 0.000 1.083 152 A CB -1.529 17.479 19.000 0.013 0.000 1.019 152 A HN 0.779 nan 8.150 nan 0.000 0.607 153 N N 0.280 118.983 118.700 0.005 0.000 2.716 153 N HA -0.248 4.492 4.740 0.000 0.000 0.250 153 N C -0.100 175.407 175.510 -0.005 0.000 1.033 153 N CA 0.502 53.552 53.050 -0.000 0.000 0.727 153 N CB -0.724 37.763 38.487 0.000 0.000 0.950 153 N HN 0.516 nan 8.380 nan 0.000 0.541 154 S N -0.851 114.846 115.700 -0.006 0.000 3.808 154 S HA -0.170 4.300 4.470 0.000 0.000 0.312 154 S C -0.685 173.910 174.600 -0.008 0.000 1.134 154 S CA 0.680 58.874 58.200 -0.011 0.000 0.884 154 S CB -0.803 62.386 63.200 -0.018 0.000 0.918 154 S HN 0.635 nan 8.310 nan 0.000 0.523 155 D N 1.299 121.697 120.400 -0.004 0.000 2.467 155 D HA 0.282 4.922 4.640 0.000 0.000 0.220 155 D C 1.135 177.434 176.300 -0.002 0.000 1.103 155 D CA -0.355 53.643 54.000 -0.002 0.000 0.886 155 D CB 0.549 41.350 40.800 0.001 0.000 1.025 155 D HN 0.434 nan 8.370 nan 0.000 0.514 156 E N 0.949 121.147 120.200 -0.004 0.000 2.209 156 E HA -0.132 4.218 4.350 0.000 0.000 0.196 156 E C 1.191 177.789 176.600 -0.002 0.000 0.993 156 E CA 1.138 57.536 56.400 -0.004 0.000 0.819 156 E CB 0.387 30.083 29.700 -0.006 0.000 0.745 156 E HN 0.473 nan 8.360 nan 0.000 0.477 157 T N 0.262 114.815 114.554 -0.002 0.000 2.942 157 T HA -0.065 4.285 4.350 0.000 0.000 0.265 157 T C 2.125 176.825 174.700 0.001 0.000 1.062 157 T CA 0.673 62.773 62.100 -0.001 0.000 1.139 157 T CB -0.043 68.824 68.868 -0.001 0.000 0.883 157 T HN -0.014 nan 8.240 nan 0.000 0.468 158 V N 1.756 121.671 119.914 0.002 0.000 2.307 158 V HA -0.040 4.080 4.120 0.000 0.000 0.245 158 V C 2.933 179.030 176.094 0.004 0.000 1.045 158 V CA 1.886 64.189 62.300 0.005 0.000 1.024 158 V CB -1.493 30.334 31.823 0.008 0.000 0.651 158 V HN 0.562 nan 8.190 nan 0.000 0.449 159 G N 0.594 109.396 108.800 0.004 0.000 2.491 159 G HA2 -0.389 3.571 3.960 0.000 0.000 0.218 159 G HA3 -0.389 3.571 3.960 0.000 0.000 0.218 159 G C 1.585 176.486 174.900 0.002 0.000 1.180 159 G CA 1.455 46.557 45.100 0.003 0.000 0.774 159 G HN 0.562 nan 8.290 nan 0.000 0.562 160 K N -0.287 120.113 120.400 0.000 0.000 2.057 160 K HA 0.029 4.349 4.320 0.000 0.000 0.207 160 K C 2.333 178.933 176.600 -0.001 0.000 1.049 160 K CA 1.060 57.347 56.287 -0.000 0.000 0.931 160 K CB -0.418 32.081 32.500 -0.001 0.000 0.714 160 K HN 0.224 nan 8.250 nan 0.000 0.440 161 L N 1.001 122.223 121.223 -0.000 0.000 2.056 161 L HA 0.009 4.349 4.340 0.000 0.000 0.207 161 L C 2.073 178.942 176.870 -0.002 0.000 1.078 161 L CA 1.426 56.265 54.840 -0.001 0.000 0.749 161 L CB -0.267 41.792 42.059 -0.000 0.000 0.901 161 L HN 0.288 nan 8.230 nan 0.000 0.433 162 I N -1.121 119.449 120.570 -0.001 0.000 2.142 162 I HA -0.321 3.849 4.170 0.000 0.000 0.240 162 I C 2.560 178.675 176.117 -0.004 0.000 1.078 162 I CA 1.238 62.536 61.300 -0.003 0.000 1.343 162 I CB -0.525 37.475 38.000 -0.001 0.000 1.046 162 I HN 0.275 nan 8.210 nan 0.000 0.405 163 A N 0.128 122.947 122.820 -0.001 0.000 1.892 163 A HA -0.279 4.041 4.320 0.000 0.000 0.218 163 A C 2.256 179.838 177.584 -0.002 0.000 1.188 163 A CA 1.947 53.983 52.037 -0.001 0.000 0.631 163 A CB -0.693 18.307 19.000 -0.000 0.000 0.822 163 A HN 0.455 nan 8.150 nan 0.000 0.447 164 E N -0.622 119.576 120.200 -0.002 0.000 2.077 164 E HA -0.149 4.201 4.350 0.000 0.000 0.193 164 E C 2.396 178.994 176.600 -0.004 0.000 0.989 164 E CA 0.980 57.379 56.400 -0.003 0.000 0.800 164 E CB -0.258 29.441 29.700 -0.003 0.000 0.746 164 E HN 0.622 nan 8.360 nan 0.000 0.452 165 A N 1.281 124.098 122.820 -0.005 0.000 1.858 165 A HA -0.193 4.127 4.320 0.000 0.000 0.216 165 A C 2.193 179.773 177.584 -0.007 0.000 1.190 165 A CA 1.430 53.463 52.037 -0.007 0.000 0.617 165 A CB -0.518 18.477 19.000 -0.008 0.000 0.827 165 A HN 0.154 nan 8.150 nan 0.000 0.443 166 M N -0.761 118.835 119.600 -0.008 0.000 2.144 166 M HA -0.222 4.258 4.480 0.000 0.000 0.260 166 M C 1.837 178.134 176.300 -0.006 0.000 1.067 166 M CA 2.176 57.472 55.300 -0.008 0.000 1.095 166 M CB -0.802 31.794 32.600 -0.007 0.000 1.365 166 M HN 0.516 nan 8.290 nan 0.000 0.406 167 D N 0.134 120.531 120.400 -0.004 0.000 2.178 167 D HA -0.118 4.522 4.640 0.000 0.000 0.202 167 D C 1.892 178.189 176.300 -0.004 0.000 0.974 167 D CA 1.301 55.299 54.000 -0.003 0.000 0.841 167 D CB 0.254 41.053 40.800 -0.003 0.000 0.953 167 D HN 0.159 nan 8.370 nan 0.000 0.478 168 K N -0.760 119.638 120.400 -0.004 0.000 2.141 168 K HA 0.053 4.373 4.320 0.000 0.000 0.202 168 K C 1.912 178.510 176.600 -0.004 0.000 1.045 168 K CA 0.806 57.091 56.287 -0.004 0.000 0.971 168 K CB 0.221 32.718 32.500 -0.004 0.000 0.795 168 K HN 0.096 nan 8.250 nan 0.000 0.459 169 V N -1.929 117.982 119.914 -0.005 0.000 3.217 169 V HA 0.251 4.371 4.120 0.000 0.000 0.264 169 V C 0.955 177.045 176.094 -0.006 0.000 1.135 169 V CA 0.644 62.941 62.300 -0.006 0.000 1.142 169 V CB -1.185 30.634 31.823 -0.007 0.000 0.754 169 V HN 0.408 nan 8.190 nan 0.000 0.484 170 G N 1.089 109.886 108.800 -0.006 0.000 2.527 170 G HA2 -0.250 3.710 3.960 0.000 0.000 0.227 170 G HA3 -0.250 3.710 3.960 0.000 0.000 0.227 170 G C 0.285 175.181 174.900 -0.007 0.000 1.291 170 G CA 0.294 45.390 45.100 -0.005 0.000 0.904 170 G HN 0.401 nan 8.290 nan 0.000 0.577 171 K N 0.362 120.758 120.400 -0.006 0.000 2.242 171 K HA 0.181 4.501 4.320 0.000 0.000 0.200 171 K C 1.558 178.153 176.600 -0.008 0.000 1.050 171 K CA 1.156 57.439 56.287 -0.006 0.000 0.981 171 K CB 0.353 32.850 32.500 -0.004 0.000 0.795 171 K HN 0.486 nan 8.250 nan 0.000 0.477 172 E N 0.993 121.187 120.200 -0.009 0.000 2.411 172 E HA 0.110 4.460 4.350 0.000 0.000 0.204 172 E C -0.237 176.356 176.600 -0.012 0.000 1.059 172 E CA -0.501 55.893 56.400 -0.011 0.000 1.112 172 E CB 0.972 30.665 29.700 -0.011 0.000 1.168 172 E HN 0.196 nan 8.360 nan 0.000 0.445 173 G N 0.364 109.157 108.800 -0.012 0.000 2.400 173 G HA2 0.438 4.398 3.960 0.000 0.000 0.333 173 G HA3 0.438 4.398 3.960 0.000 0.000 0.333 173 G C -0.197 174.694 174.900 -0.015 0.000 1.143 173 G CA -0.466 44.627 45.100 -0.011 0.000 0.914 173 G HN 0.010 nan 8.290 nan 0.000 0.480 174 V N 1.346 121.252 119.914 -0.014 0.000 2.644 174 V HA 0.517 4.637 4.120 0.000 0.000 0.295 174 V C 0.011 176.094 176.094 -0.018 0.000 1.053 174 V CA -0.519 61.770 62.300 -0.018 0.000 0.987 174 V CB 1.326 33.142 31.823 -0.013 0.000 1.006 174 V HN 0.567 nan 8.190 nan 0.000 0.472 175 I N 3.263 123.817 120.570 -0.027 0.000 2.447 175 I HA 0.530 4.700 4.170 0.000 0.000 0.287 175 I C -0.020 176.079 176.117 -0.031 0.000 1.023 175 I CA -0.110 61.174 61.300 -0.027 0.000 1.083 175 I CB 2.278 40.259 38.000 -0.032 0.000 1.245 175 I HN 0.808 nan 8.210 nan 0.000 0.434 176 T N 2.933 117.477 114.554 -0.017 0.000 2.908 176 T HA 0.718 5.068 4.350 0.000 0.000 0.290 176 T C -0.607 174.091 174.700 -0.004 0.000 1.034 176 T CA -0.911 61.183 62.100 -0.010 0.000 1.010 176 T CB 2.270 71.139 68.868 0.002 0.000 1.068 176 T HN 0.359 nan 8.240 nan 0.000 0.481 177 V N 1.213 121.128 119.914 0.003 0.000 2.495 177 V HA 0.860 4.980 4.120 0.000 0.000 0.298 177 V C -1.042 175.061 176.094 0.014 0.000 1.031 177 V CA -0.616 61.689 62.300 0.009 0.000 0.871 177 V CB 1.205 33.035 31.823 0.012 0.000 0.988 177 V HN 1.198 nan 8.190 nan 0.000 0.432 178 E N 3.048 123.255 120.200 0.012 0.000 2.449 178 E HA 0.494 4.844 4.350 0.000 0.000 0.278 178 E C -1.730 174.876 176.600 0.011 0.000 0.992 178 E CA -1.105 55.303 56.400 0.013 0.000 0.807 178 E CB 1.285 30.992 29.700 0.011 0.000 1.350 178 E HN 0.545 nan 8.360 nan 0.000 0.462 179 D N 0.928 121.335 120.400 0.011 0.000 2.458 179 D HA 0.225 4.865 4.640 0.000 0.000 0.243 179 D C 0.206 176.510 176.300 0.006 0.000 1.146 179 D CA 0.507 54.513 54.000 0.009 0.000 0.877 179 D CB 1.001 41.807 40.800 0.010 0.000 1.176 179 D HN 0.561 nan 8.370 nan 0.000 0.461 180 G N 0.264 109.067 108.800 0.006 0.000 2.528 180 G HA2 0.338 4.298 3.960 0.000 0.000 0.289 180 G HA3 0.338 4.298 3.960 0.000 0.000 0.289 180 G C 1.108 176.009 174.900 0.003 0.000 1.192 180 G CA -0.271 44.831 45.100 0.003 0.000 0.921 180 G HN 0.416 nan 8.290 nan 0.000 0.512 181 T N -1.217 113.337 114.554 0.001 0.000 2.809 181 T HA 0.193 4.543 4.350 0.000 0.000 0.260 181 T C 1.550 176.251 174.700 0.001 0.000 1.039 181 T CA 1.027 63.128 62.100 0.001 0.000 1.141 181 T CB -0.375 68.492 68.868 -0.001 0.000 0.869 181 T HN 0.710 nan 8.240 nan 0.000 0.437 182 G N 0.359 109.160 108.800 0.001 0.000 2.695 182 G HA2 0.563 4.523 3.960 0.000 0.000 0.213 182 G HA3 0.563 4.523 3.960 0.000 0.000 0.213 182 G C 0.487 175.388 174.900 0.001 0.000 1.406 182 G CA -0.593 44.508 45.100 0.001 0.000 1.049 182 G HN 0.294 nan 8.290 nan 0.000 0.573 183 L N -0.479 120.745 121.223 0.001 0.000 2.463 183 L HA 0.167 4.507 4.340 0.000 0.000 0.219 183 L C 0.544 177.415 176.870 0.001 0.000 1.088 183 L CA 0.545 55.385 54.840 0.001 0.000 0.849 183 L CB -0.157 41.903 42.059 0.001 0.000 1.012 183 L HN 0.422 nan 8.230 nan 0.000 0.468 184 Q N -0.206 119.595 119.800 0.001 0.000 2.214 184 Q HA 0.278 4.618 4.340 0.000 0.000 0.251 184 Q C -0.719 175.282 176.000 0.001 0.000 0.936 184 Q CA -0.588 55.215 55.803 0.000 0.000 0.894 184 Q CB 0.769 29.507 28.738 -0.000 0.000 1.252 184 Q HN -0.058 nan 8.270 nan 0.000 0.448 185 D N 1.246 121.647 120.400 0.001 0.000 2.372 185 D HA 0.119 4.759 4.640 0.000 0.000 0.243 185 D C -0.551 175.749 176.300 0.000 0.000 1.121 185 D CA 0.151 54.152 54.000 0.001 0.000 0.898 185 D CB 0.883 41.684 40.800 0.002 0.000 1.202 185 D HN 0.514 nan 8.370 nan 0.000 0.428 186 E N 0.932 121.132 120.200 0.000 0.000 2.308 186 E HA 0.391 4.741 4.350 0.000 0.000 0.275 186 E C -1.722 174.877 176.600 -0.001 0.000 0.890 186 E CA -0.833 55.566 56.400 -0.001 0.000 0.754 186 E CB 1.831 31.531 29.700 -0.001 0.000 1.207 186 E HN 0.163 nan 8.360 nan 0.000 0.426 187 L N 3.991 125.213 121.223 -0.002 0.000 2.305 187 L HA 0.507 4.847 4.340 0.000 0.000 0.284 187 L C -1.432 175.436 176.870 -0.003 0.000 1.013 187 L CA -0.256 54.582 54.840 -0.003 0.000 0.819 187 L CB 1.394 43.451 42.059 -0.003 0.000 1.227 187 L HN 0.415 nan 8.230 nan 0.000 0.417 188 D N 4.024 124.422 120.400 -0.004 0.000 2.192 188 D HA 0.531 5.171 4.640 0.000 0.000 0.246 188 D C -0.976 175.321 176.300 -0.004 0.000 1.042 188 D CA 0.004 54.001 54.000 -0.005 0.000 0.847 188 D CB 2.500 43.297 40.800 -0.005 0.000 1.186 188 D HN 0.293 nan 8.370 nan 0.000 0.461 189 V N 2.465 122.376 119.914 -0.005 0.000 2.447 189 V HA 0.186 4.306 4.120 0.000 0.000 0.292 189 V C -0.034 176.058 176.094 -0.004 0.000 1.021 189 V CA -0.866 61.432 62.300 -0.004 0.000 0.850 189 V CB 1.909 33.730 31.823 -0.004 0.000 1.005 189 V HN 0.281 nan 8.190 nan 0.000 0.426 190 V N 4.609 124.522 119.914 -0.003 0.000 2.455 190 V HA 0.291 4.411 4.120 0.000 0.000 0.273 190 V C 0.416 176.511 176.094 0.001 0.000 1.045 190 V CA -0.426 61.873 62.300 -0.002 0.000 0.976 190 V CB 0.983 32.806 31.823 -0.001 0.000 0.993 190 V HN 0.750 nan 8.190 nan 0.000 0.475 191 E N 3.568 123.768 120.200 0.000 0.000 2.200 191 E HA 0.535 4.885 4.350 0.000 0.000 0.283 191 E C 0.768 177.373 176.600 0.007 0.000 1.015 191 E CA 0.836 57.237 56.400 0.002 0.000 0.819 191 E CB 1.581 31.281 29.700 0.000 0.000 1.081 191 E HN 0.965 nan 8.360 nan 0.000 0.397 192 G N 3.218 112.023 108.800 0.010 0.000 2.525 192 G HA2 -0.300 3.660 3.960 0.000 0.000 0.248 192 G HA3 -0.300 3.660 3.960 0.000 0.000 0.248 192 G C -0.153 174.763 174.900 0.027 0.000 1.238 192 G CA -0.021 45.088 45.100 0.016 0.000 0.926 192 G HN 0.512 nan 8.290 nan 0.000 0.574 193 M N 1.285 120.911 119.600 0.043 0.000 2.268 193 M HA 0.627 5.107 4.480 0.000 0.000 0.344 193 M C -0.277 176.088 176.300 0.108 0.000 1.106 193 M CA -0.474 54.871 55.300 0.074 0.000 1.010 193 M CB 1.404 34.053 32.600 0.081 0.000 1.649 193 M HN 0.879 nan 8.290 nan 0.000 0.443 194 Q N 4.969 124.847 119.800 0.130 0.000 2.320 194 Q HA 0.496 4.836 4.340 0.000 0.000 0.272 194 Q C -2.226 173.884 176.000 0.185 0.000 1.023 194 Q CA -0.663 55.202 55.803 0.102 0.000 0.855 194 Q CB 1.987 30.722 28.738 -0.005 0.000 1.367 194 Q HN 0.683 nan 8.270 nan 0.000 0.406 195 F N -0.240 119.701 119.950 -0.016 0.000 2.618 195 F HA 0.547 5.074 4.527 0.000 0.000 0.332 195 F C -0.255 175.534 175.800 -0.018 0.000 1.061 195 F CA -1.340 56.648 58.000 -0.020 0.000 0.974 195 F CB 0.896 39.880 39.000 -0.026 0.000 1.310 195 F HN 0.352 nan 8.300 nan 0.000 0.491 196 D N 1.850 122.313 120.400 0.105 0.000 2.600 196 D HA 0.151 4.791 4.640 0.000 0.000 0.226 196 D C -0.505 175.783 176.300 -0.020 0.000 1.119 196 D CA 0.432 54.436 54.000 0.006 0.000 1.051 196 D CB -0.030 40.804 40.800 0.057 0.000 1.106 196 D HN 0.352 nan 8.370 nan 0.000 0.491 197 R N 0.030 120.417 120.500 -0.188 0.000 2.510 197 R HA 0.424 4.764 4.340 0.000 0.000 0.294 197 R C -0.195 175.967 176.300 -0.229 0.000 1.056 197 R CA -0.504 55.502 56.100 -0.156 0.000 0.918 197 R CB 1.611 31.869 30.300 -0.070 0.000 1.187 197 R HN 0.197 nan 8.270 nan 0.000 0.437 198 G N 2.242 110.928 108.800 -0.190 0.000 2.451 198 G HA2 0.305 4.265 3.960 0.000 0.000 0.303 198 G HA3 0.305 4.265 3.960 0.000 0.000 0.303 198 G C -0.756 174.027 174.900 -0.195 0.000 1.166 198 G CA -0.503 44.403 45.100 -0.324 0.000 0.884 198 G HN 0.541 nan 8.290 nan 0.000 0.514 199 Y N -0.230 120.072 120.300 0.002 0.000 2.702 199 Y HA 0.201 4.751 4.550 0.000 0.000 0.336 199 Y C 1.153 177.067 175.900 0.022 0.000 1.235 199 Y CA -0.957 57.167 58.100 0.039 0.000 1.492 199 Y CB 0.304 38.814 38.460 0.084 0.000 1.308 199 Y HN 0.232 nan 8.280 nan 0.000 0.589 200 L N 1.540 122.903 121.223 0.233 0.000 2.270 200 L HA 0.019 4.359 4.340 0.000 0.000 0.210 200 L C 1.119 178.064 176.870 0.126 0.000 1.104 200 L CA 1.000 55.925 54.840 0.142 0.000 0.804 200 L CB 0.034 42.143 42.059 0.084 0.000 0.937 200 L HN 0.753 nan 8.230 nan 0.000 0.450 201 S N 0.322 116.101 115.700 0.131 0.000 2.528 201 S HA 0.289 4.759 4.470 0.000 0.000 0.303 201 S C -1.559 172.985 174.600 -0.093 0.000 1.123 201 S CA -1.619 56.602 58.200 0.036 0.000 1.138 201 S CB 0.821 64.045 63.200 0.040 0.000 0.984 201 S HN -0.054 nan 8.310 nan 0.000 0.474 202 P HA -0.064 nan 4.420 nan 0.000 0.223 202 P C 0.196 177.253 177.300 -0.405 0.000 1.151 202 P CA 0.743 63.519 63.100 -0.541 0.000 0.787 202 P CB -0.135 31.367 31.700 -0.331 0.000 0.788 203 Y N -1.249 118.999 120.300 -0.088 0.000 2.550 203 Y HA 0.181 4.731 4.550 0.000 0.000 0.351 203 Y C 1.493 177.418 175.900 0.042 0.000 1.160 203 Y CA -0.227 57.852 58.100 -0.034 0.000 1.337 203 Y CB -1.453 37.008 38.460 0.002 0.000 1.196 203 Y HN -0.007 nan 8.280 nan 0.000 0.498 204 F N -1.181 118.701 119.950 -0.113 0.000 2.856 204 F HA 0.371 4.898 4.527 0.000 0.000 0.338 204 F C 0.311 176.028 175.800 -0.138 0.000 1.100 204 F CA -0.404 57.537 58.000 -0.099 0.000 1.150 204 F CB 0.467 39.418 39.000 -0.082 0.000 1.101 204 F HN -0.205 nan 8.300 nan 0.000 0.548 205 I N 4.027 124.363 120.570 -0.390 0.000 2.845 205 I HA -0.150 4.020 4.170 0.000 0.000 0.290 205 I C 0.854 176.772 176.117 -0.333 0.000 1.202 205 I CA 0.457 61.528 61.300 -0.381 0.000 1.406 205 I CB 0.209 38.054 38.000 -0.257 0.000 1.383 205 I HN 0.360 nan 8.210 nan 0.000 0.549 206 N N 6.898 125.365 118.700 -0.388 0.000 2.295 206 N HA 0.045 4.785 4.740 0.000 0.000 0.221 206 N C -0.317 175.102 175.510 -0.152 0.000 1.129 206 N CA -0.138 52.749 53.050 -0.272 0.000 0.836 206 N CB 0.569 38.862 38.487 -0.323 0.000 1.040 206 N HN 0.464 nan 8.380 nan 0.000 0.494 207 K N 1.001 121.328 120.400 -0.121 0.000 2.790 207 K HA 0.251 4.571 4.320 0.000 0.000 0.253 207 K C -2.392 174.179 176.600 -0.049 0.000 1.082 207 K CA -1.002 55.243 56.287 -0.070 0.000 1.067 207 K CB 2.444 34.911 32.500 -0.054 0.000 1.284 207 K HN -0.141 nan 8.250 nan 0.000 0.529 208 P HA -0.081 nan 4.420 nan 0.000 0.230 208 P C 0.667 177.960 177.300 -0.011 0.000 1.158 208 P CA 0.913 63.998 63.100 -0.024 0.000 0.769 208 P CB 0.588 32.276 31.700 -0.020 0.000 0.807 209 E N -0.665 119.527 120.200 -0.013 0.000 2.047 209 E HA -0.117 4.233 4.350 0.000 0.000 0.191 209 E C 1.853 178.451 176.600 -0.003 0.000 0.987 209 E CA 1.966 58.361 56.400 -0.008 0.000 0.799 209 E CB -1.141 28.553 29.700 -0.011 0.000 0.752 209 E HN 0.333 nan 8.360 nan 0.000 0.449 210 T N -3.345 111.207 114.554 -0.003 0.000 3.065 210 T HA 0.252 4.602 4.350 0.000 0.000 0.252 210 T C 1.464 176.176 174.700 0.019 0.000 1.099 210 T CA 0.256 62.358 62.100 0.004 0.000 1.063 210 T CB 0.275 69.142 68.868 -0.000 0.000 0.948 210 T HN 0.270 nan 8.240 nan 0.000 0.506 211 G N 1.180 109.994 108.800 0.023 0.000 2.246 211 G HA2 0.142 4.102 3.960 0.000 0.000 0.273 211 G HA3 0.142 4.102 3.960 0.000 0.000 0.273 211 G C 0.051 175.020 174.900 0.115 0.000 1.055 211 G CA -0.076 45.057 45.100 0.054 0.000 0.851 211 G HN 1.234 nan 8.290 nan 0.000 0.500 212 A N -1.328 121.534 122.820 0.070 0.000 2.556 212 A HA 0.878 5.198 4.320 0.000 0.000 0.294 212 A C -0.233 177.361 177.584 0.017 0.000 1.091 212 A CA -0.236 51.866 52.037 0.108 0.000 0.704 212 A CB 1.897 20.932 19.000 0.058 0.000 1.300 212 A HN 1.292 nan 8.150 nan 0.000 0.406 213 V N 1.135 121.073 119.914 0.041 0.000 2.498 213 V HA 0.376 4.496 4.120 0.000 0.000 0.279 213 V C 0.030 176.102 176.094 -0.036 0.000 1.048 213 V CA -0.007 62.249 62.300 -0.074 0.000 0.967 213 V CB 1.012 32.825 31.823 -0.018 0.000 0.988 213 V HN 0.882 nan 8.190 nan 0.000 0.473 214 E N 4.768 124.924 120.200 -0.073 0.000 3.108 214 E HA 0.349 4.699 4.350 0.000 0.000 0.228 214 E C -1.086 175.501 176.600 -0.022 0.000 1.176 214 E CA -0.324 56.057 56.400 -0.033 0.000 0.881 214 E CB 1.174 30.853 29.700 -0.035 0.000 1.354 214 E HN 0.582 nan 8.360 nan 0.000 0.400 215 L N 2.199 123.431 121.223 0.015 0.000 2.369 215 L HA 0.187 4.527 4.340 0.000 0.000 0.279 215 L C 0.551 177.436 176.870 0.026 0.000 1.108 215 L CA -0.215 54.651 54.840 0.043 0.000 0.852 215 L CB 0.135 42.258 42.059 0.106 0.000 1.169 215 L HN 0.334 nan 8.230 nan 0.000 0.452 216 E N 2.939 123.148 120.200 0.015 0.000 2.316 216 E HA 0.009 4.359 4.350 0.000 0.000 0.275 216 E C 0.475 177.070 176.600 -0.009 0.000 1.029 216 E CA 0.068 56.468 56.400 0.000 0.000 0.871 216 E CB 0.871 30.570 29.700 -0.003 0.000 1.022 216 E HN 0.494 nan 8.360 nan 0.000 0.418 217 S N 4.494 120.178 115.700 -0.028 0.000 3.280 217 S HA -0.126 4.344 4.470 0.000 0.000 0.349 217 S C -2.435 172.102 174.600 -0.105 0.000 0.936 217 S CA 0.337 58.498 58.200 -0.066 0.000 1.301 217 S CB -0.888 62.268 63.200 -0.074 0.000 0.907 217 S HN 0.465 nan 8.310 nan 0.000 0.516 218 P HA 0.560 nan 4.420 nan 0.000 0.285 218 P C -0.047 177.186 177.300 -0.112 0.000 1.285 218 P CA -0.881 62.194 63.100 -0.042 0.000 0.854 218 P CB 0.461 32.197 31.700 0.059 0.000 1.180 219 F N -0.085 119.888 119.950 0.037 0.000 2.380 219 F HA 0.386 4.913 4.527 0.000 0.000 0.325 219 F C 0.825 176.647 175.800 0.036 0.000 1.136 219 F CA 0.226 58.244 58.000 0.030 0.000 1.171 219 F CB 0.339 39.353 39.000 0.024 0.000 1.230 219 F HN 0.018 nan 8.300 nan 0.000 0.554 220 I N 3.435 124.162 120.570 0.261 0.000 2.447 220 I HA 0.257 4.427 4.170 0.000 0.000 0.287 220 I C -1.372 174.816 176.117 0.118 0.000 1.023 220 I CA -0.781 60.612 61.300 0.155 0.000 1.083 220 I CB 1.847 39.915 38.000 0.112 0.000 1.245 220 I HN 0.244 nan 8.210 nan 0.000 0.434 221 L N 8.009 129.283 121.223 0.085 0.000 2.265 221 L HA 0.520 4.860 4.340 0.000 0.000 0.289 221 L C -0.994 175.896 176.870 0.034 0.000 1.033 221 L CA -0.089 54.779 54.840 0.046 0.000 0.814 221 L CB 0.753 42.827 42.059 0.025 0.000 1.203 221 L HN 0.457 nan 8.230 nan 0.000 0.423 222 L N 6.093 127.327 121.223 0.020 0.000 2.262 222 L HA 0.679 5.019 4.340 0.000 0.000 0.288 222 L C 0.059 176.926 176.870 -0.004 0.000 1.035 222 L CA -0.533 54.309 54.840 0.003 0.000 0.820 222 L CB 1.229 43.282 42.059 -0.010 0.000 1.204 222 L HN 0.773 nan 8.230 nan 0.000 0.424 223 A N 1.740 124.558 122.820 -0.003 0.000 2.273 223 A HA 0.279 4.599 4.320 0.000 0.000 0.315 223 A C 0.381 177.960 177.584 -0.009 0.000 1.256 223 A CA -0.552 51.482 52.037 -0.005 0.000 0.851 223 A CB 1.058 20.058 19.000 -0.001 0.000 1.172 223 A HN 0.782 nan 8.150 nan 0.000 0.508 224 D N 1.999 122.391 120.400 -0.012 0.000 2.097 224 D HA -0.086 4.554 4.640 0.000 0.000 0.197 224 D C 0.867 177.163 176.300 -0.006 0.000 0.984 224 D CA 1.623 55.614 54.000 -0.014 0.000 0.826 224 D CB 0.032 40.823 40.800 -0.015 0.000 0.973 224 D HN 0.670 nan 8.370 nan 0.000 0.460 225 K N 0.650 121.048 120.400 -0.003 0.000 2.168 225 K HA 0.152 4.472 4.320 0.000 0.000 0.258 225 K C -0.024 176.579 176.600 0.005 0.000 1.010 225 K CA -0.602 55.686 56.287 0.001 0.000 0.929 225 K CB 0.377 32.877 32.500 0.000 0.000 0.998 225 K HN -0.070 nan 8.250 nan 0.000 0.479 226 K N 1.488 121.893 120.400 0.009 0.000 2.185 226 K HA 0.289 4.609 4.320 0.000 0.000 0.271 226 K C -0.528 176.077 176.600 0.008 0.000 1.013 226 K CA -0.476 55.818 56.287 0.012 0.000 0.943 226 K CB 0.553 33.063 32.500 0.016 0.000 0.998 226 K HN 0.518 nan 8.250 nan 0.000 0.468 227 I N 1.341 121.916 120.570 0.009 0.000 2.437 227 I HA 0.047 4.217 4.170 0.000 0.000 0.298 227 I C 0.730 176.851 176.117 0.006 0.000 0.984 227 I CA -0.143 61.160 61.300 0.005 0.000 1.214 227 I CB 1.914 39.915 38.000 0.002 0.000 1.365 227 I HN 0.871 nan 8.210 nan 0.000 0.469 228 S N 2.819 118.521 115.700 0.003 0.000 2.612 228 S HA 0.247 4.717 4.470 0.000 0.000 0.278 228 S C -0.286 174.315 174.600 0.001 0.000 1.082 228 S CA -0.215 57.987 58.200 0.004 0.000 1.185 228 S CB 0.212 63.416 63.200 0.006 0.000 1.077 228 S HN 0.745 nan 8.310 nan 0.000 0.585 229 N N 1.213 119.913 118.700 -0.002 0.000 2.321 229 N HA 0.411 5.151 4.740 0.000 0.000 0.299 229 N C 0.147 175.652 175.510 -0.007 0.000 1.048 229 N CA -0.565 52.483 53.050 -0.004 0.000 0.836 229 N CB 1.314 39.799 38.487 -0.003 0.000 1.269 229 N HN 0.016 nan 8.380 nan 0.000 0.486 230 I N 1.350 121.915 120.570 -0.008 0.000 2.454 230 I HA -0.106 4.064 4.170 0.000 0.000 0.254 230 I C 2.218 178.327 176.117 -0.013 0.000 1.156 230 I CA 1.226 62.519 61.300 -0.012 0.000 1.433 230 I CB -0.123 37.870 38.000 -0.012 0.000 1.082 230 I HN 0.597 nan 8.210 nan 0.000 0.432 231 R N 0.764 121.258 120.500 -0.010 0.000 2.143 231 R HA -0.289 4.051 4.340 0.000 0.000 0.239 231 R C 2.080 178.372 176.300 -0.013 0.000 1.126 231 R CA 2.576 58.669 56.100 -0.011 0.000 0.927 231 R CB -0.411 29.884 30.300 -0.008 0.000 0.860 231 R HN 0.435 nan 8.270 nan 0.000 0.433 232 E N -0.512 119.680 120.200 -0.013 0.000 2.267 232 E HA -0.191 4.159 4.350 0.000 0.000 0.197 232 E C 1.915 178.503 176.600 -0.019 0.000 0.998 232 E CA 1.194 57.585 56.400 -0.015 0.000 0.830 232 E CB 0.028 29.721 29.700 -0.012 0.000 0.751 232 E HN 0.348 nan 8.360 nan 0.000 0.491 233 M N -0.227 119.361 119.600 -0.020 0.000 2.160 233 M HA -0.018 4.462 4.480 0.000 0.000 0.264 233 M C 2.218 178.501 176.300 -0.029 0.000 1.073 233 M CA 1.035 56.319 55.300 -0.026 0.000 1.142 233 M CB -0.802 31.782 32.600 -0.026 0.000 1.358 233 M HN 0.173 nan 8.290 nan 0.000 0.422 234 L N 0.076 121.284 121.223 -0.025 0.000 2.030 234 L HA -0.281 4.059 4.340 0.000 0.000 0.222 234 L C -0.381 176.471 176.870 -0.029 0.000 1.082 234 L CA 2.093 56.918 54.840 -0.025 0.000 0.785 234 L CB -2.331 39.716 42.059 -0.019 0.000 0.895 234 L HN 0.182 nan 8.230 nan 0.000 0.439 235 P HA -0.144 nan 4.420 nan 0.000 0.215 235 P C 1.774 179.045 177.300 -0.049 0.000 1.153 235 P CA 1.367 64.447 63.100 -0.035 0.000 0.853 235 P CB 0.039 31.720 31.700 -0.032 0.000 0.788 236 V N -0.718 119.163 119.914 -0.055 0.000 2.300 236 V HA -0.133 3.987 4.120 0.000 0.000 0.241 236 V C 2.476 178.519 176.094 -0.085 0.000 1.034 236 V CA 1.048 63.300 62.300 -0.080 0.000 1.021 236 V CB -1.480 30.298 31.823 -0.075 0.000 0.662 236 V HN 0.005 nan 8.190 nan 0.000 0.458 237 L N 0.227 121.414 121.223 -0.060 0.000 2.103 237 L HA -0.301 4.039 4.340 0.000 0.000 0.215 237 L C 2.673 179.516 176.870 -0.045 0.000 1.080 237 L CA 2.210 57.021 54.840 -0.048 0.000 0.764 237 L CB -0.179 41.858 42.059 -0.036 0.000 0.890 237 L HN 0.464 nan 8.230 nan 0.000 0.435 238 E N -0.168 120.005 120.200 -0.045 0.000 2.028 238 E HA -0.199 4.151 4.350 0.000 0.000 0.191 238 E C 2.046 178.618 176.600 -0.047 0.000 0.988 238 E CA 1.595 57.973 56.400 -0.037 0.000 0.799 238 E CB -0.283 29.399 29.700 -0.031 0.000 0.755 238 E HN 0.464 nan 8.360 nan 0.000 0.447 239 A N 0.186 122.962 122.820 -0.072 0.000 1.940 239 A HA -0.172 4.148 4.320 0.000 0.000 0.219 239 A C 2.452 179.969 177.584 -0.112 0.000 1.176 239 A CA 1.890 53.870 52.037 -0.095 0.000 0.631 239 A CB -0.762 18.159 19.000 -0.132 0.000 0.814 239 A HN 0.212 nan 8.150 nan 0.000 0.446 240 V N -0.428 119.406 119.914 -0.133 0.000 2.379 240 V HA -0.164 3.956 4.120 0.000 0.000 0.245 240 V C 2.982 179.084 176.094 0.014 0.000 1.044 240 V CA 1.643 63.890 62.300 -0.090 0.000 1.036 240 V CB -1.380 30.396 31.823 -0.079 0.000 0.664 240 V HN 0.592 nan 8.190 nan 0.000 0.453 241 A N -0.004 122.816 122.820 0.001 0.000 1.940 241 A HA -0.216 4.104 4.320 0.000 0.000 0.219 241 A C 2.157 179.756 177.584 0.024 0.000 1.176 241 A CA 1.805 53.853 52.037 0.018 0.000 0.631 241 A CB -0.389 18.614 19.000 0.005 0.000 0.814 241 A HN 0.547 nan 8.150 nan 0.000 0.446 242 K N -0.805 119.603 120.400 0.013 0.000 2.437 242 K HA 0.349 4.669 4.320 0.000 0.000 0.198 242 K C 1.169 177.789 176.600 0.034 0.000 1.024 242 K CA 0.393 56.690 56.287 0.018 0.000 1.148 242 K CB 0.161 32.664 32.500 0.005 0.000 0.860 242 K HN 0.432 nan 8.250 nan 0.000 0.515 243 A N -0.291 122.563 122.820 0.056 0.000 2.259 243 A HA 0.355 4.675 4.320 0.000 0.000 0.213 243 A C 1.477 179.133 177.584 0.120 0.000 1.209 243 A CA 0.682 52.782 52.037 0.104 0.000 0.910 243 A CB 0.205 19.302 19.000 0.162 0.000 0.946 243 A HN 0.327 nan 8.150 nan 0.000 0.497 244 G N 0.042 108.903 108.800 0.101 0.000 2.454 244 G HA2 -0.294 3.666 3.960 0.000 0.000 0.225 244 G HA3 -0.294 3.666 3.960 0.000 0.000 0.225 244 G C 0.448 175.410 174.900 0.104 0.000 1.138 244 G CA 0.434 45.585 45.100 0.086 0.000 0.667 244 G HN 0.564 nan 8.290 nan 0.000 0.512 245 K N 2.297 122.785 120.400 0.147 0.000 2.436 245 K HA 0.394 4.714 4.320 0.000 0.000 0.275 245 K C -1.980 174.729 176.600 0.182 0.000 0.999 245 K CA -0.833 55.533 56.287 0.132 0.000 0.980 245 K CB 0.576 33.123 32.500 0.079 0.000 0.919 245 K HN 0.230 nan 8.250 nan 0.000 0.484 246 P HA 0.105 nan 4.420 nan 0.000 0.275 246 P C -1.291 176.130 177.300 0.201 0.000 1.270 246 P CA -0.488 62.706 63.100 0.157 0.000 0.791 246 P CB 0.470 32.252 31.700 0.137 0.000 1.089 247 L N 0.170 121.499 121.223 0.176 0.000 2.505 247 L HA 0.527 4.867 4.340 0.000 0.000 0.266 247 L C -1.626 175.322 176.870 0.129 0.000 0.954 247 L CA -0.833 54.110 54.840 0.171 0.000 0.852 247 L CB 1.579 43.717 42.059 0.132 0.000 1.282 247 L HN 0.103 nan 8.230 nan 0.000 0.403 248 L N 5.712 127.017 121.223 0.138 0.000 2.334 248 L HA 0.682 5.022 4.340 0.000 0.000 0.277 248 L C -1.081 175.846 176.870 0.095 0.000 1.075 248 L CA 0.211 55.126 54.840 0.124 0.000 0.804 248 L CB 1.265 43.409 42.059 0.142 0.000 1.174 248 L HN 0.622 nan 8.230 nan 0.000 0.438 249 I N 6.088 126.703 120.570 0.075 0.000 2.411 249 I HA 0.359 4.529 4.170 0.000 0.000 0.284 249 I C -0.758 175.406 176.117 0.078 0.000 1.012 249 I CA -0.037 61.297 61.300 0.057 0.000 1.119 249 I CB 1.375 39.386 38.000 0.020 0.000 1.261 249 I HN 0.467 nan 8.210 nan 0.000 0.448 250 I N 6.495 127.112 120.570 0.079 0.000 2.347 250 I HA 0.577 4.747 4.170 0.000 0.000 0.283 250 I C 0.434 176.574 176.117 0.037 0.000 1.058 250 I CA -0.020 61.330 61.300 0.084 0.000 1.202 250 I CB 0.830 38.883 38.000 0.088 0.000 1.386 250 I HN 0.607 nan 8.210 nan 0.000 0.475 251 A N 4.208 127.052 122.820 0.040 0.000 2.284 251 A HA 0.445 4.765 4.320 0.000 0.000 0.317 251 A C 1.109 178.708 177.584 0.024 0.000 1.120 251 A CA -0.472 51.578 52.037 0.022 0.000 0.900 251 A CB 0.878 19.890 19.000 0.020 0.000 1.319 251 A HN 0.699 nan 8.150 nan 0.000 0.494 252 E N -0.819 119.390 120.200 0.016 0.000 2.110 252 E HA -0.131 4.219 4.350 0.000 0.000 0.193 252 E C -0.359 176.262 176.600 0.035 0.000 0.988 252 E CA 1.387 57.800 56.400 0.022 0.000 0.804 252 E CB 0.182 29.892 29.700 0.017 0.000 0.745 252 E HN 0.594 nan 8.360 nan 0.000 0.458 253 D N -1.727 118.692 120.400 0.032 0.000 2.728 253 D HA 0.168 4.808 4.640 0.000 0.000 0.249 253 D C -1.834 174.483 176.300 0.028 0.000 1.225 253 D CA -0.453 53.569 54.000 0.036 0.000 0.748 253 D CB 2.109 42.929 40.800 0.033 0.000 1.326 253 D HN -0.128 nan 8.370 nan 0.000 0.426 254 V N 2.618 122.549 119.914 0.030 0.000 2.525 254 V HA 0.478 4.598 4.120 0.000 0.000 0.299 254 V C 0.154 176.261 176.094 0.021 0.000 1.034 254 V CA -0.496 61.816 62.300 0.020 0.000 0.863 254 V CB 1.638 33.471 31.823 0.016 0.000 0.999 254 V HN 0.629 nan 8.190 nan 0.000 0.423 255 E N 3.424 123.634 120.200 0.016 0.000 2.359 255 E HA 0.823 5.173 4.350 0.000 0.000 0.223 255 E C 0.537 177.146 176.600 0.014 0.000 0.877 255 E CA -0.379 56.032 56.400 0.018 0.000 0.887 255 E CB 1.130 30.841 29.700 0.019 0.000 1.890 255 E HN 1.106 nan 8.360 nan 0.000 0.419 256 G N 0.948 109.757 108.800 0.015 0.000 2.578 256 G HA2 -0.402 3.558 3.960 0.000 0.000 0.275 256 G HA3 -0.402 3.558 3.960 0.000 0.000 0.275 256 G C 0.561 175.469 174.900 0.013 0.000 1.271 256 G CA 0.959 46.066 45.100 0.013 0.000 0.941 256 G HN 0.814 nan 8.290 nan 0.000 0.564 257 E N 0.209 120.414 120.200 0.009 0.000 2.358 257 E HA 0.423 4.773 4.350 0.000 0.000 0.195 257 E C 2.532 179.134 176.600 0.002 0.000 1.010 257 E CA 1.916 58.320 56.400 0.007 0.000 0.856 257 E CB -0.495 29.208 29.700 0.005 0.000 0.795 257 E HN 1.180 nan 8.360 nan 0.000 0.504 258 A N 1.594 124.414 122.820 -0.000 0.000 1.841 258 A HA -0.145 4.175 4.320 0.000 0.000 0.216 258 A C 2.172 179.749 177.584 -0.011 0.000 1.199 258 A CA 1.582 53.615 52.037 -0.007 0.000 0.621 258 A CB -0.990 18.006 19.000 -0.006 0.000 0.835 258 A HN 0.321 nan 8.150 nan 0.000 0.445 259 L N -0.178 121.043 121.223 -0.004 0.000 2.013 259 L HA -0.169 4.171 4.340 0.000 0.000 0.212 259 L C 2.738 179.608 176.870 0.000 0.000 1.073 259 L CA 2.479 57.316 54.840 -0.005 0.000 0.753 259 L CB -0.874 41.191 42.059 0.010 0.000 0.890 259 L HN 0.406 nan 8.230 nan 0.000 0.432 260 A N -1.181 121.647 122.820 0.014 0.000 1.865 260 A HA -0.278 4.042 4.320 0.000 0.000 0.217 260 A C 2.366 179.958 177.584 0.013 0.000 1.191 260 A CA 2.912 54.964 52.037 0.026 0.000 0.623 260 A CB -1.488 17.528 19.000 0.026 0.000 0.826 260 A HN 0.644 nan 8.150 nan 0.000 0.444 261 T N -1.549 113.005 114.554 -0.000 0.000 2.821 261 T HA -0.033 4.317 4.350 0.000 0.000 0.267 261 T C 1.822 176.511 174.700 -0.019 0.000 1.046 261 T CA 1.306 63.402 62.100 -0.007 0.000 1.139 261 T CB -0.594 68.269 68.868 -0.009 0.000 0.871 261 T HN 0.274 nan 8.240 nan 0.000 0.454 262 L N 0.878 122.080 121.223 -0.036 0.000 2.079 262 L HA -0.108 4.232 4.340 0.000 0.000 0.210 262 L C 2.897 179.718 176.870 -0.083 0.000 1.081 262 L CA 0.948 55.743 54.840 -0.075 0.000 0.752 262 L CB -0.732 41.261 42.059 -0.110 0.000 0.896 262 L HN 0.198 nan 8.230 nan 0.000 0.433 263 V N -0.585 119.307 119.914 -0.037 0.000 2.233 263 V HA -0.270 3.850 4.120 0.000 0.000 0.247 263 V C 2.353 178.465 176.094 0.030 0.000 1.050 263 V CA 1.927 64.237 62.300 0.018 0.000 1.010 263 V CB -0.598 31.273 31.823 0.079 0.000 0.637 263 V HN 0.278 nan 8.190 nan 0.000 0.444 264 V N 0.496 120.420 119.914 0.015 0.000 2.867 264 V HA -0.182 3.938 4.120 0.000 0.000 0.260 264 V C 2.112 178.213 176.094 0.012 0.000 1.099 264 V CA 1.693 63.999 62.300 0.010 0.000 1.122 264 V CB -1.115 30.708 31.823 0.001 0.000 0.708 264 V HN 0.561 nan 8.190 nan 0.000 0.490 265 N N 0.444 119.146 118.700 0.003 0.000 2.354 265 N HA -0.077 4.663 4.740 0.000 0.000 0.179 265 N C 1.825 177.351 175.510 0.027 0.000 1.021 265 N CA 1.752 54.804 53.050 0.004 0.000 0.887 265 N CB 0.079 38.557 38.487 -0.016 0.000 0.974 265 N HN 0.502 nan 8.380 nan 0.000 0.437 266 T N 0.869 115.452 114.554 0.049 0.000 3.039 266 T HA 0.143 4.493 4.350 0.000 0.000 0.250 266 T C 1.818 176.593 174.700 0.125 0.000 1.052 266 T CA -0.101 62.077 62.100 0.129 0.000 1.125 266 T CB 0.311 69.343 68.868 0.273 0.000 0.908 266 T HN 0.097 nan 8.240 nan 0.000 0.473 267 M N 0.915 120.574 119.600 0.099 0.000 2.260 267 M HA -0.113 4.367 4.480 0.000 0.000 0.261 267 M C 2.204 178.525 176.300 0.036 0.000 1.066 267 M CA 1.548 56.886 55.300 0.062 0.000 1.082 267 M CB -0.021 32.600 32.600 0.035 0.000 1.388 267 M HN 0.037 nan 8.290 nan 0.000 0.419 268 R N -0.729 119.792 120.500 0.034 0.000 2.146 268 R HA 0.114 4.454 4.340 0.000 0.000 0.206 268 R C 1.003 177.319 176.300 0.027 0.000 1.049 268 R CA 1.365 57.479 56.100 0.022 0.000 1.029 268 R CB 0.341 30.649 30.300 0.015 0.000 0.949 268 R HN 0.471 nan 8.270 nan 0.000 0.471 269 G N -0.136 108.688 108.800 0.040 0.000 2.141 269 G HA2 -0.134 3.826 3.960 0.000 0.000 0.164 269 G HA3 -0.134 3.826 3.960 0.000 0.000 0.164 269 G C 0.421 175.344 174.900 0.038 0.000 1.009 269 G CA 0.141 45.267 45.100 0.042 0.000 0.677 269 G HN 0.127 nan 8.290 nan 0.000 0.508 270 I N -0.044 120.546 120.570 0.034 0.000 2.235 270 I HA 0.132 4.302 4.170 0.000 0.000 0.241 270 I C 1.580 177.717 176.117 0.033 0.000 1.085 270 I CA 2.117 63.432 61.300 0.026 0.000 1.378 270 I CB -1.211 36.799 38.000 0.016 0.000 1.076 270 I HN 0.539 nan 8.210 nan 0.000 0.415 271 V N -1.818 118.119 119.914 0.039 0.000 3.114 271 V HA 0.518 4.638 4.120 0.000 0.000 0.308 271 V C -0.487 175.657 176.094 0.082 0.000 1.168 271 V CA -1.195 61.134 62.300 0.050 0.000 1.015 271 V CB 2.550 34.388 31.823 0.025 0.000 1.050 271 V HN 0.060 nan 8.190 nan 0.000 0.433 272 K N 1.819 122.288 120.400 0.116 0.000 2.389 272 K HA 0.733 5.053 4.320 0.000 0.000 0.261 272 K C -1.119 175.587 176.600 0.176 0.000 1.014 272 K CA -0.464 55.952 56.287 0.213 0.000 0.920 272 K CB 1.585 34.215 32.500 0.217 0.000 1.149 272 K HN 0.952 nan 8.250 nan 0.000 0.444 273 V N 0.258 120.158 119.914 -0.022 0.000 2.623 273 V HA 0.808 4.928 4.120 0.000 0.000 0.304 273 V C -0.614 175.016 176.094 -0.774 0.000 1.054 273 V CA -1.082 61.079 62.300 -0.232 0.000 0.882 273 V CB 1.500 33.212 31.823 -0.185 0.000 1.002 273 V HN 0.666 nan 8.190 nan 0.000 0.424 274 A N 3.456 126.119 122.820 -0.263 0.000 2.320 274 A HA 1.048 5.368 4.320 0.000 0.000 0.334 274 A C 0.121 177.674 177.584 -0.051 0.000 1.147 274 A CA -0.281 51.684 52.037 -0.120 0.000 0.820 274 A CB 1.702 20.906 19.000 0.341 0.000 1.218 274 A HN 2.411 nan 8.150 nan 0.000 0.482 275 A N 0.861 123.687 122.820 0.010 0.000 2.375 275 A HA 0.669 4.989 4.320 0.000 0.000 0.295 275 A C -0.737 176.911 177.584 0.108 0.000 1.066 275 A CA -0.185 51.877 52.037 0.041 0.000 0.722 275 A CB 0.982 19.978 19.000 -0.006 0.000 1.206 275 A HN 2.151 nan 8.150 nan 0.000 0.435 276 V N -0.079 119.904 119.914 0.116 0.000 2.888 276 V HA 0.575 4.695 4.120 0.000 0.000 0.309 276 V C -0.230 175.949 176.094 0.142 0.000 1.114 276 V CA -1.233 61.145 62.300 0.129 0.000 0.940 276 V CB 1.328 33.230 31.823 0.132 0.000 1.021 276 V HN 0.861 nan 8.190 nan 0.000 0.426 277 K N 1.809 122.284 120.400 0.126 0.000 2.344 277 K HA 0.539 4.859 4.320 0.000 0.000 0.260 277 K C 0.555 177.248 176.600 0.156 0.000 0.988 277 K CA 0.454 56.812 56.287 0.117 0.000 0.909 277 K CB 0.593 33.152 32.500 0.099 0.000 0.968 277 K HN 1.130 nan 8.250 nan 0.000 0.505 278 A N 2.994 125.865 122.820 0.085 0.000 2.388 278 A HA 0.261 4.581 4.320 0.000 0.000 0.257 278 A C -2.171 175.422 177.584 0.015 0.000 1.095 278 A CA -1.360 50.687 52.037 0.018 0.000 0.791 278 A CB -0.132 18.853 19.000 -0.025 0.000 1.029 278 A HN 0.404 nan 8.150 nan 0.000 0.489 279 P HA 0.402 nan 4.420 nan 0.000 0.271 279 P C 0.598 177.787 177.300 -0.185 0.000 1.233 279 P CA 1.496 64.545 63.100 -0.086 0.000 0.764 279 P CB 0.559 32.060 31.700 -0.333 0.000 0.825 280 G N 2.871 111.532 108.800 -0.232 0.000 2.500 280 G HA2 0.108 4.068 3.960 0.000 0.000 0.209 280 G HA3 0.108 4.068 3.960 0.000 0.000 0.209 280 G C -1.346 173.299 174.900 -0.424 0.000 1.283 280 G CA -0.534 44.177 45.100 -0.648 0.000 0.960 280 G HN 0.540 nan 8.290 nan 0.000 0.528 281 F N -2.119 117.846 119.950 0.025 0.000 2.654 281 F HA 0.719 5.246 4.527 0.000 0.000 0.314 281 F C 0.875 176.689 175.800 0.024 0.000 1.116 281 F CA 0.039 58.054 58.000 0.024 0.000 1.017 281 F CB 0.936 39.953 39.000 0.028 0.000 1.285 281 F HN 2.402 nan 8.300 nan 0.000 0.448 282 G N 1.910 110.830 108.800 0.200 0.000 2.547 282 G HA2 -0.317 3.643 3.960 0.000 0.000 0.271 282 G HA3 -0.317 3.643 3.960 0.000 0.000 0.271 282 G C 0.205 175.144 174.900 0.065 0.000 1.209 282 G CA 0.688 45.867 45.100 0.131 0.000 0.959 282 G HN 0.797 nan 8.290 nan 0.000 0.563 283 D N 0.123 120.560 120.400 0.062 0.000 2.348 283 D HA 0.047 4.687 4.640 0.000 0.000 0.216 283 D C 2.368 178.664 176.300 -0.006 0.000 0.970 283 D CA 0.735 54.751 54.000 0.026 0.000 0.889 283 D CB -0.053 40.767 40.800 0.034 0.000 0.912 283 D HN 0.414 nan 8.370 nan 0.000 0.524 284 R N 0.177 120.668 120.500 -0.016 0.000 2.090 284 R HA -0.005 4.335 4.340 0.000 0.000 0.228 284 R C 2.192 178.405 176.300 -0.145 0.000 1.110 284 R CA 0.617 56.661 56.100 -0.094 0.000 0.973 284 R CB 0.141 30.350 30.300 -0.152 0.000 0.869 284 R HN 0.062 nan 8.270 nan 0.000 0.440 285 R N 1.234 121.650 120.500 -0.140 0.000 2.082 285 R HA -0.183 4.157 4.340 0.000 0.000 0.234 285 R C 1.724 177.956 176.300 -0.113 0.000 1.136 285 R CA 2.103 58.118 56.100 -0.142 0.000 0.935 285 R CB -0.096 30.152 30.300 -0.086 0.000 0.842 285 R HN 0.117 nan 8.270 nan 0.000 0.430 286 K N 0.116 120.472 120.400 -0.074 0.000 2.097 286 K HA -0.082 4.238 4.320 0.000 0.000 0.206 286 K C 2.210 178.768 176.600 -0.070 0.000 1.049 286 K CA 1.310 57.560 56.287 -0.062 0.000 0.933 286 K CB -0.207 32.271 32.500 -0.037 0.000 0.717 286 K HN 0.284 nan 8.250 nan 0.000 0.442 287 A N 1.675 124.451 122.820 -0.073 0.000 1.883 287 A HA -0.174 4.146 4.320 0.000 0.000 0.217 287 A C 2.193 179.719 177.584 -0.096 0.000 1.186 287 A CA 1.566 53.559 52.037 -0.075 0.000 0.624 287 A CB -0.436 18.520 19.000 -0.073 0.000 0.822 287 A HN 0.182 nan 8.150 nan 0.000 0.444 288 M N -1.529 117.995 119.600 -0.127 0.000 2.200 288 M HA -0.059 4.421 4.480 0.000 0.000 0.265 288 M C 2.163 178.356 176.300 -0.179 0.000 1.066 288 M CA 1.081 56.285 55.300 -0.160 0.000 1.127 288 M CB -0.373 32.106 32.600 -0.202 0.000 1.379 288 M HN 0.458 nan 8.290 nan 0.000 0.420 289 L N 0.710 121.833 121.223 -0.167 0.000 2.131 289 L HA -0.217 4.123 4.340 0.000 0.000 0.210 289 L C 2.371 179.171 176.870 -0.115 0.000 1.092 289 L CA 1.843 56.587 54.840 -0.160 0.000 0.759 289 L CB -0.702 41.285 42.059 -0.120 0.000 0.903 289 L HN 0.264 nan 8.230 nan 0.000 0.435 290 Q N -0.283 119.463 119.800 -0.090 0.000 2.079 290 Q HA -0.208 4.132 4.340 0.000 0.000 0.200 290 Q C 1.738 177.699 176.000 -0.066 0.000 0.974 290 Q CA 2.004 57.768 55.803 -0.065 0.000 0.840 290 Q CB -0.330 28.376 28.738 -0.053 0.000 0.898 290 Q HN 0.528 nan 8.270 nan 0.000 0.430 291 D N -0.100 120.251 120.400 -0.081 0.000 2.133 291 D HA -0.198 4.442 4.640 0.000 0.000 0.192 291 D C 1.767 178.027 176.300 -0.067 0.000 1.001 291 D CA 1.737 55.693 54.000 -0.074 0.000 0.844 291 D CB -0.267 40.480 40.800 -0.089 0.000 0.944 291 D HN 0.396 nan 8.370 nan 0.000 0.447 292 I N 0.802 121.316 120.570 -0.095 0.000 2.226 292 I HA -0.266 3.904 4.170 0.000 0.000 0.245 292 I C 2.458 178.553 176.117 -0.036 0.000 1.100 292 I CA 1.085 62.340 61.300 -0.076 0.000 1.374 292 I CB -0.310 37.611 38.000 -0.131 0.000 1.057 292 I HN -0.050 nan 8.210 nan 0.000 0.413 293 A N 0.666 123.463 122.820 -0.038 0.000 1.873 293 A HA -0.255 4.065 4.320 0.000 0.000 0.218 293 A C 2.420 179.998 177.584 -0.009 0.000 1.193 293 A CA 2.763 54.790 52.037 -0.017 0.000 0.629 293 A CB -1.311 17.677 19.000 -0.020 0.000 0.826 293 A HN 0.419 nan 8.150 nan 0.000 0.447 294 T N -0.018 114.525 114.554 -0.017 0.000 2.652 294 T HA -0.177 4.173 4.350 0.000 0.000 0.267 294 T C 1.760 176.456 174.700 -0.007 0.000 1.039 294 T CA 1.626 63.718 62.100 -0.012 0.000 1.153 294 T CB -0.420 68.437 68.868 -0.019 0.000 0.863 294 T HN 0.296 nan 8.240 nan 0.000 0.428 295 L N 1.727 122.945 121.223 -0.008 0.000 2.362 295 L HA 0.027 4.367 4.340 0.000 0.000 0.219 295 L C 2.052 178.926 176.870 0.006 0.000 1.134 295 L CA 1.588 56.427 54.840 -0.001 0.000 0.807 295 L CB -0.618 41.442 42.059 0.001 0.000 0.927 295 L HN 0.466 nan 8.230 nan 0.000 0.447 296 T N -5.391 109.169 114.554 0.009 0.000 3.043 296 T HA 0.383 4.733 4.350 0.000 0.000 0.272 296 T C 1.176 175.889 174.700 0.022 0.000 0.990 296 T CA 0.126 62.236 62.100 0.017 0.000 0.897 296 T CB 0.101 68.987 68.868 0.029 0.000 1.111 296 T HN 0.388 nan 8.240 nan 0.000 0.529 297 G N 0.745 109.555 108.800 0.017 0.000 2.272 297 G HA2 0.096 4.056 3.960 0.000 0.000 0.280 297 G HA3 0.096 4.056 3.960 0.000 0.000 0.280 297 G C 0.289 175.210 174.900 0.035 0.000 1.067 297 G CA -0.167 44.946 45.100 0.022 0.000 0.902 297 G HN 1.059 nan 8.290 nan 0.000 0.500 298 G N -1.483 107.336 108.800 0.031 0.000 2.568 298 G HA2 0.773 4.733 3.960 0.000 0.000 0.313 298 G HA3 0.773 4.733 3.960 0.000 0.000 0.313 298 G C -0.395 174.515 174.900 0.018 0.000 1.227 298 G CA 0.033 45.155 45.100 0.037 0.000 0.979 298 G HN 0.577 nan 8.290 nan 0.000 0.486 299 T N 0.634 115.197 114.554 0.015 0.000 2.771 299 T HA 0.375 4.725 4.350 0.000 0.000 0.281 299 T C 0.215 174.914 174.700 -0.002 0.000 0.982 299 T CA -0.277 61.825 62.100 0.003 0.000 0.978 299 T CB 1.569 70.438 68.868 0.002 0.000 0.930 299 T HN 0.338 nan 8.240 nan 0.000 0.447 300 V N 4.739 124.647 119.914 -0.009 0.000 2.450 300 V HA 0.083 4.203 4.120 0.000 0.000 0.281 300 V C 0.485 176.572 176.094 -0.012 0.000 1.019 300 V CA -0.205 62.086 62.300 -0.015 0.000 1.062 300 V CB -0.352 31.457 31.823 -0.023 0.000 0.979 300 V HN 0.735 nan 8.190 nan 0.000 0.477 301 I N 5.022 125.586 120.570 -0.011 0.000 2.293 301 I HA 0.083 4.253 4.170 0.000 0.000 0.299 301 I C 0.838 176.948 176.117 -0.011 0.000 1.153 301 I CA 1.053 62.347 61.300 -0.011 0.000 1.302 301 I CB 0.726 38.719 38.000 -0.011 0.000 1.460 301 I HN 0.587 nan 8.210 nan 0.000 0.552 302 S N 4.608 120.301 115.700 -0.011 0.000 2.404 302 S HA 0.166 4.636 4.470 0.000 0.000 0.309 302 S C 1.307 175.902 174.600 -0.008 0.000 1.076 302 S CA -0.541 57.653 58.200 -0.010 0.000 1.095 302 S CB 0.358 63.550 63.200 -0.012 0.000 0.972 302 S HN 0.687 nan 8.310 nan 0.000 0.484 303 E N 3.183 123.379 120.200 -0.006 0.000 2.267 303 E HA -0.179 4.171 4.350 0.000 0.000 0.197 303 E C 1.274 177.872 176.600 -0.004 0.000 0.998 303 E CA 1.168 57.565 56.400 -0.005 0.000 0.830 303 E CB 0.195 29.893 29.700 -0.003 0.000 0.751 303 E HN 0.783 nan 8.360 nan 0.000 0.491 304 E N 0.246 120.444 120.200 -0.004 0.000 2.015 304 E HA -0.167 4.183 4.350 0.000 0.000 0.191 304 E C 1.611 178.208 176.600 -0.004 0.000 0.991 304 E CA 1.245 57.643 56.400 -0.003 0.000 0.802 304 E CB -0.274 29.424 29.700 -0.003 0.000 0.759 304 E HN 0.395 nan 8.360 nan 0.000 0.447 305 I N -1.287 119.279 120.570 -0.005 0.000 3.525 305 I HA 0.365 4.535 4.170 0.000 0.000 0.311 305 I C 0.418 176.532 176.117 -0.005 0.000 1.329 305 I CA -0.172 61.125 61.300 -0.005 0.000 1.382 305 I CB -0.376 37.620 38.000 -0.006 0.000 1.328 305 I HN 0.049 nan 8.210 nan 0.000 0.493 306 G N 3.095 111.892 108.800 -0.005 0.000 2.367 306 G HA2 -0.235 3.725 3.960 0.000 0.000 0.295 306 G HA3 -0.235 3.725 3.960 0.000 0.000 0.295 306 G C -0.360 174.536 174.900 -0.006 0.000 1.019 306 G CA 0.072 45.169 45.100 -0.005 0.000 1.224 306 G HN 0.586 nan 8.290 nan 0.000 0.510 307 M N -0.111 119.485 119.600 -0.006 0.000 2.378 307 M HA 0.327 4.807 4.480 0.000 0.000 0.289 307 M C -0.374 175.921 176.300 -0.008 0.000 1.136 307 M CA -0.598 54.698 55.300 -0.008 0.000 0.917 307 M CB 2.408 35.003 32.600 -0.008 0.000 1.669 307 M HN 0.306 nan 8.290 nan 0.000 0.461 308 E N 1.779 121.973 120.200 -0.009 0.000 2.191 308 E HA 0.206 4.556 4.350 0.000 0.000 0.278 308 E C 0.332 176.925 176.600 -0.012 0.000 0.972 308 E CA -0.527 55.867 56.400 -0.010 0.000 0.804 308 E CB 2.440 32.134 29.700 -0.010 0.000 1.110 308 E HN 0.505 nan 8.360 nan 0.000 0.394 309 L N 3.539 124.755 121.223 -0.012 0.000 2.079 309 L HA -0.224 4.116 4.340 0.000 0.000 0.210 309 L C 1.795 178.654 176.870 -0.019 0.000 1.081 309 L CA 1.936 56.767 54.840 -0.015 0.000 0.752 309 L CB -0.247 41.804 42.059 -0.013 0.000 0.896 309 L HN 0.606 nan 8.230 nan 0.000 0.433 310 E N -0.036 120.154 120.200 -0.017 0.000 2.110 310 E HA -0.271 4.079 4.350 0.000 0.000 0.193 310 E C 1.588 178.175 176.600 -0.022 0.000 0.988 310 E CA 1.474 57.863 56.400 -0.019 0.000 0.804 310 E CB -0.294 29.396 29.700 -0.016 0.000 0.745 310 E HN 0.641 nan 8.360 nan 0.000 0.458 311 K N 0.873 121.261 120.400 -0.020 0.000 2.437 311 K HA 0.335 4.655 4.320 0.000 0.000 0.198 311 K C 0.316 176.902 176.600 -0.024 0.000 1.024 311 K CA -0.016 56.260 56.287 -0.020 0.000 1.148 311 K CB 0.519 33.010 32.500 -0.015 0.000 0.860 311 K HN -0.082 nan 8.250 nan 0.000 0.515 312 A N 1.636 124.439 122.820 -0.028 0.000 2.401 312 A HA 0.322 4.642 4.320 0.000 0.000 0.259 312 A C 0.275 177.831 177.584 -0.048 0.000 1.103 312 A CA -0.333 51.684 52.037 -0.033 0.000 0.789 312 A CB 0.344 19.324 19.000 -0.033 0.000 1.035 312 A HN 0.506 nan 8.150 nan 0.000 0.491 313 T N -0.052 114.470 114.554 -0.052 0.000 2.870 313 T HA 0.505 4.855 4.350 0.000 0.000 0.277 313 T C 1.259 175.894 174.700 -0.108 0.000 1.000 313 T CA -0.731 61.325 62.100 -0.073 0.000 0.982 313 T CB 0.391 69.228 68.868 -0.053 0.000 1.249 313 T HN 0.332 nan 8.240 nan 0.000 0.589 314 L N 0.191 121.323 121.223 -0.152 0.000 2.081 314 L HA -0.152 4.188 4.340 0.000 0.000 0.212 314 L C 2.915 179.727 176.870 -0.097 0.000 1.080 314 L CA 2.006 56.702 54.840 -0.240 0.000 0.754 314 L CB -0.675 41.238 42.059 -0.243 0.000 0.893 314 L HN 0.889 nan 8.230 nan 0.000 0.433 315 E N 0.800 120.977 120.200 -0.039 0.000 2.095 315 E HA -0.304 4.046 4.350 0.000 0.000 0.212 315 E C 1.551 178.161 176.600 0.017 0.000 1.044 315 E CA 2.325 58.728 56.400 0.004 0.000 0.857 315 E CB -0.097 29.601 29.700 -0.004 0.000 0.764 315 E HN 0.468 nan 8.360 nan 0.000 0.462 316 D N -0.126 120.272 120.400 -0.003 0.000 2.348 316 D HA -0.045 4.595 4.640 0.000 0.000 0.216 316 D C 0.308 176.624 176.300 0.027 0.000 0.970 316 D CA 0.310 54.314 54.000 0.007 0.000 0.889 316 D CB -0.051 40.744 40.800 -0.008 0.000 0.912 316 D HN 0.269 nan 8.370 nan 0.000 0.524 317 L N 1.202 122.449 121.223 0.040 0.000 2.380 317 L HA 0.246 4.586 4.340 0.000 0.000 0.273 317 L C 1.381 178.358 176.870 0.178 0.000 1.138 317 L CA -0.471 54.432 54.840 0.105 0.000 0.832 317 L CB 0.997 43.115 42.059 0.098 0.000 1.124 317 L HN -0.098 nan 8.230 nan 0.000 0.454 318 G N 2.312 111.201 108.800 0.149 0.000 2.599 318 G HA2 0.430 4.390 3.960 0.000 0.000 0.264 318 G HA3 0.430 4.390 3.960 0.000 0.000 0.264 318 G C -0.787 174.195 174.900 0.136 0.000 1.200 318 G CA -0.300 44.870 45.100 0.118 0.000 0.896 318 G HN 0.633 nan 8.290 nan 0.000 0.536 319 Q N -1.336 118.492 119.800 0.046 0.000 2.416 319 Q HA 0.615 4.956 4.340 0.000 0.000 0.281 319 Q C -0.766 175.212 176.000 -0.037 0.000 1.067 319 Q CA -0.791 54.983 55.803 -0.049 0.000 0.809 319 Q CB 2.603 31.257 28.738 -0.140 0.000 1.418 319 Q HN 0.827 nan 8.270 nan 0.000 0.411 320 A N 0.857 123.643 122.820 -0.056 0.000 2.566 320 A HA 0.428 4.748 4.320 0.000 0.000 0.292 320 A C -0.213 177.344 177.584 -0.045 0.000 1.112 320 A CA -0.582 51.438 52.037 -0.028 0.000 0.707 320 A CB 1.675 20.679 19.000 0.006 0.000 1.302 320 A HN 0.776 nan 8.150 nan 0.000 0.409 321 K N -0.573 119.810 120.400 -0.028 0.000 2.103 321 K HA 0.064 4.384 4.320 0.000 0.000 0.204 321 K C 0.599 177.187 176.600 -0.021 0.000 1.052 321 K CA 1.261 57.531 56.287 -0.028 0.000 0.945 321 K CB 0.057 32.546 32.500 -0.018 0.000 0.722 321 K HN 0.599 nan 8.250 nan 0.000 0.443 322 R N -1.120 119.375 120.500 -0.008 0.000 2.709 322 R HA 0.275 4.615 4.340 0.000 0.000 0.270 322 R C -2.063 174.246 176.300 0.014 0.000 1.038 322 R CA -0.694 55.407 56.100 0.000 0.000 0.872 322 R CB 2.087 32.385 30.300 -0.003 0.000 1.259 322 R HN -0.117 nan 8.270 nan 0.000 0.473 323 V N 2.175 122.103 119.914 0.022 0.000 2.686 323 V HA 0.520 4.640 4.120 0.000 0.000 0.306 323 V C -0.944 175.164 176.094 0.023 0.000 1.065 323 V CA -0.815 61.506 62.300 0.034 0.000 0.894 323 V CB 2.096 33.957 31.823 0.064 0.000 1.004 323 V HN 0.442 nan 8.190 nan 0.000 0.424 324 V N 6.086 126.005 119.914 0.008 0.000 2.376 324 V HA 0.573 4.693 4.120 0.000 0.000 0.287 324 V C -0.594 175.488 176.094 -0.020 0.000 1.015 324 V CA -0.246 62.052 62.300 -0.004 0.000 0.834 324 V CB 1.465 33.279 31.823 -0.015 0.000 1.001 324 V HN 0.736 nan 8.190 nan 0.000 0.428 325 I N 5.567 126.145 120.570 0.014 0.000 2.447 325 I HA 0.537 4.707 4.170 0.000 0.000 0.287 325 I C -0.061 176.091 176.117 0.058 0.000 1.023 325 I CA -0.355 60.953 61.300 0.013 0.000 1.083 325 I CB 1.870 39.932 38.000 0.102 0.000 1.245 325 I HN 0.758 nan 8.210 nan 0.000 0.434 326 N N 4.596 123.243 118.700 -0.088 0.000 2.989 326 N HA 0.351 5.091 4.740 0.000 0.000 0.338 326 N C 0.581 175.684 175.510 -0.678 0.000 1.369 326 N CA -1.001 51.954 53.050 -0.159 0.000 0.794 326 N CB 0.492 38.927 38.487 -0.086 0.000 1.359 326 N HN 0.471 nan 8.380 nan 0.000 0.609 327 K N -1.264 118.729 120.400 -0.677 0.000 2.360 327 K HA -0.096 4.224 4.320 0.000 0.000 0.201 327 K C -0.362 175.982 176.600 -0.427 0.000 1.046 327 K CA 1.453 57.288 56.287 -0.752 0.000 0.945 327 K CB -0.110 32.207 32.500 -0.306 0.000 0.750 327 K HN 0.540 nan 8.250 nan 0.000 0.464 328 D N -0.202 120.017 120.400 -0.303 0.000 2.461 328 D HA 0.016 4.656 4.640 0.000 0.000 0.266 328 D C 0.079 176.262 176.300 -0.195 0.000 1.085 328 D CA 0.621 54.503 54.000 -0.196 0.000 0.887 328 D CB 1.071 41.795 40.800 -0.126 0.000 1.309 328 D HN 0.288 nan 8.370 nan 0.000 0.498 329 T N -0.999 113.420 114.554 -0.226 0.000 2.912 329 T HA 0.583 4.933 4.350 0.000 0.000 0.299 329 T C -0.370 174.134 174.700 -0.327 0.000 1.052 329 T CA -0.626 61.316 62.100 -0.264 0.000 0.996 329 T CB 2.450 71.206 68.868 -0.187 0.000 1.070 329 T HN -0.321 nan 8.240 nan 0.000 0.465 330 T N 2.415 116.636 114.554 -0.555 0.000 2.824 330 T HA 0.677 5.027 4.350 0.000 0.000 0.280 330 T C -0.500 173.936 174.700 -0.440 0.000 0.995 330 T CA -0.551 61.222 62.100 -0.545 0.000 1.009 330 T CB 1.404 69.785 68.868 -0.811 0.000 0.955 330 T HN 0.800 nan 8.240 nan 0.000 0.452 331 T N 3.166 117.615 114.554 -0.176 0.000 2.949 331 T HA 0.467 4.817 4.350 0.000 0.000 0.300 331 T C -0.155 174.556 174.700 0.018 0.000 0.988 331 T CA -0.499 61.568 62.100 -0.056 0.000 0.993 331 T CB 0.570 69.410 68.868 -0.047 0.000 0.984 331 T HN 0.433 nan 8.240 nan 0.000 0.442 332 I N 3.916 124.533 120.570 0.078 0.000 2.312 332 I HA 0.356 4.526 4.170 0.000 0.000 0.291 332 I C -0.097 176.047 176.117 0.046 0.000 1.031 332 I CA -0.549 60.797 61.300 0.077 0.000 1.293 332 I CB 0.752 38.819 38.000 0.112 0.000 1.403 332 I HN 0.503 nan 8.210 nan 0.000 0.484 333 I N 6.429 127.015 120.570 0.028 0.000 2.301 333 I HA 0.126 4.296 4.170 0.000 0.000 0.292 333 I C -0.143 175.981 176.117 0.011 0.000 1.046 333 I CA -0.153 61.156 61.300 0.015 0.000 1.282 333 I CB 0.428 38.432 38.000 0.007 0.000 1.409 333 I HN 0.588 nan 8.210 nan 0.000 0.484 334 D N 5.257 125.663 120.400 0.010 0.000 3.763 334 D HA -0.130 4.510 4.640 0.000 0.000 0.232 334 D C 0.103 176.404 176.300 0.002 0.000 1.108 334 D CA 0.909 54.912 54.000 0.004 0.000 1.117 334 D CB -0.042 40.757 40.800 -0.002 0.000 0.846 334 D HN 0.757 nan 8.370 nan 0.000 0.405 335 G N 1.283 110.086 108.800 0.006 0.000 2.476 335 G HA2 0.441 4.401 3.960 0.000 0.000 0.286 335 G HA3 0.441 4.401 3.960 0.000 0.000 0.286 335 G C 1.491 176.389 174.900 -0.003 0.000 1.177 335 G CA -0.251 44.850 45.100 0.003 0.000 0.870 335 G HN 0.337 nan 8.290 nan 0.000 0.528 336 V N 2.074 121.983 119.914 -0.008 0.000 2.233 336 V HA -0.108 4.012 4.120 0.000 0.000 0.252 336 V C 2.174 178.266 176.094 -0.003 0.000 1.063 336 V CA 2.362 64.657 62.300 -0.009 0.000 1.032 336 V CB -1.436 30.382 31.823 -0.008 0.000 0.645 336 V HN 1.763 nan 8.190 nan 0.000 0.446 337 G N 1.376 110.177 108.800 0.001 0.000 2.261 337 G HA2 -0.250 3.710 3.960 0.000 0.000 0.220 337 G HA3 -0.250 3.710 3.960 0.000 0.000 0.220 337 G C -0.389 174.511 174.900 -0.000 0.000 0.572 337 G CA 0.267 45.368 45.100 0.001 0.000 1.011 337 G HN 0.672 nan 8.290 nan 0.000 0.328 338 E N 1.400 121.600 120.200 0.001 0.000 2.757 338 E HA 0.154 4.504 4.350 0.000 0.000 0.238 338 E C 1.312 177.911 176.600 -0.001 0.000 1.057 338 E CA 0.452 56.852 56.400 0.000 0.000 0.952 338 E CB 0.633 30.334 29.700 0.001 0.000 0.934 338 E HN 0.645 nan 8.360 nan 0.000 0.518 339 E N 3.894 124.093 120.200 -0.002 0.000 2.086 339 E HA -0.318 4.032 4.350 0.000 0.000 0.205 339 E C 1.778 178.376 176.600 -0.003 0.000 1.027 339 E CA 2.141 58.540 56.400 -0.002 0.000 0.830 339 E CB -0.250 29.449 29.700 -0.002 0.000 0.751 339 E HN 0.595 nan 8.360 nan 0.000 0.456 340 A N 0.247 123.066 122.820 -0.003 0.000 1.933 340 A HA -0.034 4.286 4.320 0.000 0.000 0.218 340 A C 2.364 179.946 177.584 -0.004 0.000 1.175 340 A CA 2.189 54.224 52.037 -0.003 0.000 0.628 340 A CB -0.812 18.187 19.000 -0.002 0.000 0.814 340 A HN 0.369 nan 8.150 nan 0.000 0.444 341 A N -0.459 122.359 122.820 -0.004 0.000 2.066 341 A HA 0.107 4.427 4.320 0.000 0.000 0.218 341 A C 2.000 179.580 177.584 -0.007 0.000 1.157 341 A CA 1.078 53.112 52.037 -0.005 0.000 0.670 341 A CB -0.485 18.512 19.000 -0.004 0.000 0.804 341 A HN 0.508 nan 8.150 nan 0.000 0.453 342 I N -0.818 119.748 120.570 -0.007 0.000 2.141 342 I HA -0.278 3.892 4.170 0.000 0.000 0.236 342 I C 2.617 178.729 176.117 -0.010 0.000 1.071 342 I CA 1.512 62.807 61.300 -0.008 0.000 1.345 342 I CB -0.492 37.505 38.000 -0.006 0.000 1.066 342 I HN 0.313 nan 8.210 nan 0.000 0.406 343 Q N 0.698 120.493 119.800 -0.008 0.000 2.291 343 Q HA -0.081 4.259 4.340 0.000 0.000 0.205 343 Q C 2.214 178.209 176.000 -0.009 0.000 0.970 343 Q CA 1.324 57.122 55.803 -0.008 0.000 0.876 343 Q CB -0.298 28.437 28.738 -0.006 0.000 0.935 343 Q HN 0.639 nan 8.270 nan 0.000 0.455 344 G N 0.649 109.444 108.800 -0.009 0.000 2.404 344 G HA2 -0.234 3.726 3.960 0.000 0.000 0.214 344 G HA3 -0.234 3.726 3.960 0.000 0.000 0.214 344 G C 1.433 176.326 174.900 -0.012 0.000 1.189 344 G CA 0.112 45.206 45.100 -0.009 0.000 0.789 344 G HN 0.104 nan 8.290 nan 0.000 0.533 345 R N 0.272 120.764 120.500 -0.013 0.000 2.241 345 R HA 0.016 4.356 4.340 0.000 0.000 0.224 345 R C 2.430 178.719 176.300 -0.020 0.000 1.101 345 R CA 0.720 56.810 56.100 -0.017 0.000 0.995 345 R CB -0.274 30.015 30.300 -0.019 0.000 0.870 345 R HN 0.345 nan 8.270 nan 0.000 0.463 346 V N 0.167 120.071 119.914 -0.017 0.000 2.379 346 V HA -0.088 4.032 4.120 0.000 0.000 0.243 346 V C 2.353 178.437 176.094 -0.016 0.000 1.035 346 V CA 1.601 63.891 62.300 -0.018 0.000 1.035 346 V CB -0.492 31.322 31.823 -0.014 0.000 0.673 346 V HN 0.345 nan 8.190 nan 0.000 0.457 347 A N -0.822 121.990 122.820 -0.013 0.000 2.121 347 A HA -0.238 4.082 4.320 0.000 0.000 0.218 347 A C 2.183 179.759 177.584 -0.013 0.000 1.154 347 A CA 1.777 53.807 52.037 -0.012 0.000 0.679 347 A CB -0.386 18.608 19.000 -0.009 0.000 0.795 347 A HN 0.605 nan 8.150 nan 0.000 0.458 348 Q N -0.339 119.452 119.800 -0.015 0.000 2.123 348 Q HA -0.005 4.335 4.340 0.000 0.000 0.196 348 Q C 1.846 177.833 176.000 -0.020 0.000 0.958 348 Q CA 1.079 56.873 55.803 -0.016 0.000 0.841 348 Q CB -0.119 28.609 28.738 -0.016 0.000 0.915 348 Q HN 0.675 nan 8.270 nan 0.000 0.455 349 I N 0.497 121.053 120.570 -0.024 0.000 2.439 349 I HA -0.194 3.976 4.170 0.000 0.000 0.251 349 I C 2.671 178.771 176.117 -0.028 0.000 1.139 349 I CA 0.611 61.893 61.300 -0.030 0.000 1.438 349 I CB -0.284 37.694 38.000 -0.036 0.000 1.085 349 I HN 0.177 nan 8.210 nan 0.000 0.427 350 R N 0.835 121.321 120.500 -0.022 0.000 2.120 350 R HA -0.215 4.125 4.340 0.000 0.000 0.234 350 R C 2.271 178.562 176.300 -0.016 0.000 1.123 350 R CA 1.415 57.504 56.100 -0.019 0.000 0.975 350 R CB -0.117 30.174 30.300 -0.015 0.000 0.866 350 R HN 0.408 nan 8.270 nan 0.000 0.446 351 Q N 0.073 119.864 119.800 -0.015 0.000 2.424 351 Q HA -0.081 4.259 4.340 0.000 0.000 0.204 351 Q C 1.265 177.257 176.000 -0.015 0.000 0.933 351 Q CA 0.766 56.562 55.803 -0.013 0.000 0.929 351 Q CB 0.363 29.095 28.738 -0.010 0.000 1.037 351 Q HN 0.450 nan 8.270 nan 0.000 0.511 352 Q N 0.118 119.906 119.800 -0.020 0.000 2.230 352 Q HA -0.019 4.321 4.340 0.000 0.000 0.202 352 Q C 1.931 177.915 176.000 -0.027 0.000 0.963 352 Q CA 1.104 56.892 55.803 -0.024 0.000 0.866 352 Q CB 0.120 28.838 28.738 -0.032 0.000 0.931 352 Q HN 0.460 nan 8.270 nan 0.000 0.452 353 I N 0.071 120.625 120.570 -0.027 0.000 2.500 353 I HA -0.161 4.009 4.170 0.000 0.000 0.252 353 I C 2.102 178.211 176.117 -0.014 0.000 1.142 353 I CA 0.572 61.857 61.300 -0.025 0.000 1.451 353 I CB -0.199 37.786 38.000 -0.025 0.000 1.093 353 I HN 0.071 nan 8.210 nan 0.000 0.430 354 E N 1.851 122.045 120.200 -0.010 0.000 2.058 354 E HA -0.222 4.128 4.350 0.000 0.000 0.194 354 E C 1.496 178.095 176.600 -0.002 0.000 0.997 354 E CA 1.522 57.920 56.400 -0.004 0.000 0.801 354 E CB -0.168 29.530 29.700 -0.004 0.000 0.746 354 E HN 0.682 nan 8.360 nan 0.000 0.450 355 E N 0.166 120.363 120.200 -0.004 0.000 2.370 355 E HA 0.357 4.707 4.350 0.000 0.000 0.194 355 E C -0.266 176.333 176.600 -0.001 0.000 1.057 355 E CA -0.236 56.164 56.400 -0.001 0.000 1.011 355 E CB 0.350 30.049 29.700 -0.001 0.000 1.132 355 E HN -0.044 nan 8.360 nan 0.000 0.450 356 A N 1.660 124.478 122.820 -0.004 0.000 2.395 356 A HA 0.155 4.475 4.320 0.000 0.000 0.286 356 A C 1.136 178.726 177.584 0.010 0.000 1.193 356 A CA -0.330 51.705 52.037 -0.005 0.000 0.852 356 A CB -0.014 18.976 19.000 -0.016 0.000 1.118 356 A HN 0.317 nan 8.150 nan 0.000 0.524 357 T N 0.067 114.631 114.554 0.017 0.000 3.361 357 T HA 0.278 4.628 4.350 0.000 0.000 0.251 357 T C 0.709 175.431 174.700 0.036 0.000 1.131 357 T CA 0.487 62.602 62.100 0.025 0.000 1.001 357 T CB -1.003 67.880 68.868 0.025 0.000 1.003 357 T HN 1.066 nan 8.240 nan 0.000 0.558 358 S N -0.529 115.195 115.700 0.041 0.000 3.127 358 S HA 0.371 4.841 4.470 0.000 0.000 0.314 358 S C -0.479 174.156 174.600 0.057 0.000 1.238 358 S CA -0.684 57.550 58.200 0.057 0.000 1.074 358 S CB 0.629 63.880 63.200 0.085 0.000 1.417 358 S HN 0.017 nan 8.310 nan 0.000 0.597 359 D N -0.696 119.754 120.400 0.083 0.000 2.431 359 D HA 0.175 4.815 4.640 0.000 0.000 0.227 359 D C 1.349 177.715 176.300 0.110 0.000 1.030 359 D CA 0.500 54.550 54.000 0.083 0.000 0.897 359 D CB 0.011 40.861 40.800 0.084 0.000 1.058 359 D HN 0.469 nan 8.370 nan 0.000 0.500 360 Y N 2.428 122.742 120.300 0.023 0.000 2.184 360 Y HA -0.074 4.476 4.550 0.000 0.000 0.290 360 Y C 1.293 177.208 175.900 0.025 0.000 1.129 360 Y CA 1.317 59.434 58.100 0.028 0.000 1.144 360 Y CB -0.051 38.428 38.460 0.031 0.000 0.995 360 Y HN -0.211 nan 8.280 nan 0.000 0.513 361 D N 0.142 120.443 120.400 -0.166 0.000 2.371 361 D HA -0.051 4.589 4.640 0.000 0.000 0.234 361 D C 1.646 177.858 176.300 -0.146 0.000 1.049 361 D CA 0.540 54.405 54.000 -0.225 0.000 0.907 361 D CB 0.015 40.775 40.800 -0.067 0.000 0.891 361 D HN 0.477 nan 8.370 nan 0.000 0.531 362 R N 0.087 120.522 120.500 -0.108 0.000 2.164 362 R HA 0.046 4.386 4.340 0.000 0.000 0.198 362 R C 1.801 178.058 176.300 -0.072 0.000 1.028 362 R CA 0.105 56.168 56.100 -0.061 0.000 1.083 362 R CB 0.563 30.855 30.300 -0.013 0.000 1.026 362 R HN -0.006 nan 8.270 nan 0.000 0.514 363 E N 1.406 121.562 120.200 -0.074 0.000 2.005 363 E HA -0.263 4.087 4.350 0.000 0.000 0.198 363 E C 1.774 178.321 176.600 -0.090 0.000 1.010 363 E CA 2.177 58.547 56.400 -0.050 0.000 0.825 363 E CB -0.060 29.646 29.700 0.010 0.000 0.769 363 E HN 0.254 nan 8.360 nan 0.000 0.456 364 K N 0.860 121.153 120.400 -0.179 0.000 2.113 364 K HA -0.183 4.137 4.320 0.000 0.000 0.208 364 K C 2.054 178.574 176.600 -0.132 0.000 1.047 364 K CA 1.321 57.506 56.287 -0.170 0.000 0.928 364 K CB -0.224 32.104 32.500 -0.288 0.000 0.716 364 K HN 0.024 nan 8.250 nan 0.000 0.446 365 L N 2.304 123.444 121.223 -0.137 0.000 1.994 365 L HA -0.177 4.163 4.340 0.000 0.000 0.208 365 L C 2.906 179.736 176.870 -0.067 0.000 1.071 365 L CA 2.225 57.006 54.840 -0.098 0.000 0.745 365 L CB -1.463 40.542 42.059 -0.090 0.000 0.892 365 L HN 0.593 nan 8.230 nan 0.000 0.431 366 Q N -0.589 119.177 119.800 -0.056 0.000 2.436 366 Q HA -0.174 4.166 4.340 0.000 0.000 0.209 366 Q C 1.465 177.445 176.000 -0.033 0.000 0.965 366 Q CA 0.997 56.777 55.803 -0.038 0.000 0.910 366 Q CB -0.117 28.604 28.738 -0.029 0.000 0.980 366 Q HN 0.552 nan 8.270 nan 0.000 0.491 367 E N 1.232 121.409 120.200 -0.039 0.000 2.028 367 E HA -0.091 4.259 4.350 0.000 0.000 0.190 367 E C 2.123 178.705 176.600 -0.029 0.000 0.984 367 E CA 0.753 57.136 56.400 -0.028 0.000 0.800 367 E CB 0.071 29.754 29.700 -0.027 0.000 0.758 367 E HN 0.325 nan 8.360 nan 0.000 0.448 368 R N 0.512 120.985 120.500 -0.045 0.000 2.096 368 R HA -0.138 4.202 4.340 0.000 0.000 0.235 368 R C 2.641 178.919 176.300 -0.036 0.000 1.127 368 R CA 1.411 57.482 56.100 -0.047 0.000 0.968 368 R CB -0.435 29.825 30.300 -0.067 0.000 0.861 368 R HN 0.210 nan 8.270 nan 0.000 0.440 369 V N -1.888 118.005 119.914 -0.034 0.000 2.407 369 V HA -0.120 4.000 4.120 0.000 0.000 0.248 369 V C 2.118 178.201 176.094 -0.018 0.000 1.055 369 V CA 1.844 64.128 62.300 -0.026 0.000 1.049 369 V CB -0.796 31.012 31.823 -0.025 0.000 0.662 369 V HN 0.265 nan 8.190 nan 0.000 0.455 370 A N 0.539 123.350 122.820 -0.016 0.000 1.930 370 A HA -0.105 4.215 4.320 0.000 0.000 0.217 370 A C 2.294 179.876 177.584 -0.003 0.000 1.175 370 A CA 1.851 53.883 52.037 -0.009 0.000 0.627 370 A CB -0.535 18.459 19.000 -0.009 0.000 0.815 370 A HN 0.619 nan 8.150 nan 0.000 0.443 371 K N -0.544 119.855 120.400 -0.002 0.000 2.148 371 K HA 0.057 4.377 4.320 0.000 0.000 0.204 371 K C 1.498 178.100 176.600 0.004 0.000 1.050 371 K CA 1.084 57.376 56.287 0.008 0.000 0.942 371 K CB -0.198 32.309 32.500 0.011 0.000 0.724 371 K HN 0.446 nan 8.250 nan 0.000 0.446 372 L N -0.725 120.494 121.223 -0.007 0.000 2.463 372 L HA 0.097 4.437 4.340 0.000 0.000 0.219 372 L C 1.804 178.670 176.870 -0.007 0.000 1.088 372 L CA 0.079 54.914 54.840 -0.009 0.000 0.849 372 L CB 0.118 42.166 42.059 -0.019 0.000 1.012 372 L HN 0.138 nan 8.230 nan 0.000 0.468 373 A N -0.320 122.496 122.820 -0.007 0.000 2.284 373 A HA 0.522 4.842 4.320 0.000 0.000 0.219 373 A C 1.525 179.107 177.584 -0.003 0.000 2.353 373 A CA 0.639 52.673 52.037 -0.006 0.000 1.164 373 A CB -1.094 17.901 19.000 -0.008 0.000 1.293 373 A HN 0.204 nan 8.150 nan 0.000 0.586 374 G N -0.951 107.847 108.800 -0.004 0.000 3.311 374 G HA2 0.459 4.419 3.960 0.000 0.000 0.169 374 G HA3 0.459 4.419 3.960 0.000 0.000 0.169 374 G C 0.443 175.342 174.900 -0.001 0.000 1.852 374 G CA 0.403 45.501 45.100 -0.003 0.000 1.010 374 G HN 1.251 nan 8.290 nan 0.000 0.530 375 G N -2.326 106.473 108.800 -0.002 0.000 2.733 375 G HA2 0.516 4.476 3.960 0.000 0.000 0.288 375 G HA3 0.516 4.476 3.960 0.000 0.000 0.288 375 G C -1.881 173.018 174.900 -0.001 0.000 1.373 375 G CA -0.345 44.755 45.100 0.000 0.000 0.895 375 G HN 0.637 nan 8.290 nan 0.000 0.479 376 V N 0.234 120.149 119.914 0.002 0.000 2.459 376 V HA 0.756 4.876 4.120 0.000 0.000 0.295 376 V C 0.298 176.391 176.094 -0.001 0.000 1.029 376 V CA -0.532 61.768 62.300 0.001 0.000 0.874 376 V CB 1.095 32.922 31.823 0.007 0.000 0.985 376 V HN 1.173 nan 8.190 nan 0.000 0.438 377 A N 4.397 127.215 122.820 -0.004 0.000 2.374 377 A HA 0.930 5.250 4.320 0.000 0.000 0.317 377 A C -1.059 176.522 177.584 -0.005 0.000 1.094 377 A CA -0.604 51.430 52.037 -0.005 0.000 0.765 377 A CB 1.914 20.910 19.000 -0.007 0.000 1.268 377 A HN 0.652 nan 8.150 nan 0.000 0.438 378 V N 2.889 122.800 119.914 -0.004 0.000 2.588 378 V HA 0.423 4.543 4.120 0.000 0.000 0.304 378 V C -0.536 175.557 176.094 -0.003 0.000 1.042 378 V CA -0.239 62.060 62.300 -0.003 0.000 0.877 378 V CB 1.671 33.493 31.823 -0.001 0.000 0.996 378 V HN 0.796 nan 8.190 nan 0.000 0.425 379 I N 4.346 124.915 120.570 -0.002 0.000 2.377 379 I HA 0.448 4.618 4.170 0.000 0.000 0.293 379 I C -0.073 176.045 176.117 0.002 0.000 0.987 379 I CA -0.518 60.781 61.300 -0.000 0.000 1.185 379 I CB 1.581 39.581 38.000 -0.001 0.000 1.341 379 I HN 0.494 nan 8.210 nan 0.000 0.455 380 K N 5.798 126.199 120.400 0.002 0.000 2.339 380 K HA 0.487 4.807 4.320 0.000 0.000 0.264 380 K C -1.099 175.503 176.600 0.004 0.000 0.986 380 K CA -0.662 55.627 56.287 0.003 0.000 0.866 380 K CB 2.012 34.513 32.500 0.002 0.000 1.103 380 K HN 0.278 nan 8.250 nan 0.000 0.441 381 V N 2.236 122.154 119.914 0.006 0.000 2.498 381 V HA 0.307 4.427 4.120 0.000 0.000 0.279 381 V C 0.825 176.923 176.094 0.006 0.000 1.048 381 V CA -0.751 61.553 62.300 0.007 0.000 0.967 381 V CB 1.201 33.030 31.823 0.010 0.000 0.988 381 V HN 0.890 nan 8.190 nan 0.000 0.473 382 G N 2.716 111.518 108.800 0.005 0.000 2.389 382 G HA2 0.746 4.706 3.960 0.000 0.000 0.317 382 G HA3 0.746 4.706 3.960 0.000 0.000 0.317 382 G C -0.540 174.363 174.900 0.004 0.000 1.137 382 G CA -0.011 45.091 45.100 0.004 0.000 0.870 382 G HN 1.321 nan 8.290 nan 0.000 0.496 383 A N -0.027 122.795 122.820 0.004 0.000 2.582 383 A HA 0.728 5.048 4.320 0.000 0.000 0.297 383 A C 0.621 178.207 177.584 0.003 0.000 1.059 383 A CA 0.336 52.376 52.037 0.004 0.000 0.705 383 A CB 0.840 19.843 19.000 0.005 0.000 1.279 383 A HN 1.775 nan 8.150 nan 0.000 0.404 384 A N 0.900 123.722 122.820 0.002 0.000 1.873 384 A HA 0.338 4.658 4.320 0.000 0.000 0.215 384 A C 1.447 179.033 177.584 0.003 0.000 1.186 384 A CA 2.491 54.529 52.037 0.002 0.000 0.616 384 A CB -0.715 18.286 19.000 0.001 0.000 0.823 384 A HN 1.837 nan 8.150 nan 0.000 0.442 385 T N -4.469 110.087 114.554 0.003 0.000 2.844 385 T HA 0.528 4.878 4.350 0.000 0.000 0.274 385 T C 0.558 175.262 174.700 0.005 0.000 0.991 385 T CA -0.064 62.038 62.100 0.004 0.000 0.983 385 T CB 1.677 70.547 68.868 0.002 0.000 1.310 385 T HN 0.198 nan 8.240 nan 0.000 0.596 386 E N -0.450 119.754 120.200 0.006 0.000 2.251 386 E HA 0.028 4.378 4.350 0.000 0.000 0.194 386 E C 2.162 178.768 176.600 0.009 0.000 0.964 386 E CA 0.442 56.848 56.400 0.009 0.000 0.868 386 E CB 0.124 29.831 29.700 0.012 0.000 0.828 386 E HN 0.556 nan 8.360 nan 0.000 0.481 387 V N -0.191 119.726 119.914 0.006 0.000 2.594 387 V HA -0.183 3.937 4.120 0.000 0.000 0.253 387 V C 2.044 178.141 176.094 0.003 0.000 1.069 387 V CA 1.857 64.159 62.300 0.003 0.000 1.082 387 V CB -0.511 31.311 31.823 -0.001 0.000 0.680 387 V HN 0.172 nan 8.190 nan 0.000 0.469 388 E N -0.293 119.910 120.200 0.004 0.000 2.102 388 E HA -0.124 4.226 4.350 0.000 0.000 0.190 388 E C 2.097 178.701 176.600 0.007 0.000 0.971 388 E CA 0.971 57.373 56.400 0.004 0.000 0.821 388 E CB -0.064 29.638 29.700 0.003 0.000 0.777 388 E HN 0.493 nan 8.360 nan 0.000 0.460 389 M N 1.640 121.245 119.600 0.008 0.000 2.082 389 M HA -0.221 4.259 4.480 0.000 0.000 0.258 389 M C 1.825 178.133 176.300 0.013 0.000 1.069 389 M CA 1.758 57.064 55.300 0.010 0.000 1.102 389 M CB -0.124 32.483 32.600 0.011 0.000 1.336 389 M HN -0.108 nan 8.290 nan 0.000 0.404 390 K N -0.358 120.050 120.400 0.014 0.000 1.991 390 K HA -0.253 4.067 4.320 0.000 0.000 0.212 390 K C 1.994 178.603 176.600 0.015 0.000 1.049 390 K CA 2.177 58.474 56.287 0.017 0.000 0.932 390 K CB -0.593 31.918 32.500 0.018 0.000 0.717 390 K HN 0.550 nan 8.250 nan 0.000 0.441 391 E N 1.748 121.955 120.200 0.011 0.000 2.051 391 E HA -0.235 4.115 4.350 0.000 0.000 0.192 391 E C 1.951 178.557 176.600 0.012 0.000 0.991 391 E CA 1.892 58.297 56.400 0.009 0.000 0.799 391 E CB -0.128 29.575 29.700 0.005 0.000 0.748 391 E HN 0.110 nan 8.360 nan 0.000 0.449 392 K N 0.850 121.257 120.400 0.011 0.000 2.026 392 K HA -0.191 4.129 4.320 0.000 0.000 0.208 392 K C 2.188 178.798 176.600 0.016 0.000 1.048 392 K CA 2.045 58.339 56.287 0.012 0.000 0.929 392 K CB -0.286 32.219 32.500 0.009 0.000 0.713 392 K HN 0.163 nan 8.250 nan 0.000 0.439 393 K N -0.250 120.161 120.400 0.018 0.000 2.057 393 K HA -0.112 4.208 4.320 0.000 0.000 0.207 393 K C 1.930 178.548 176.600 0.030 0.000 1.049 393 K CA 1.412 57.712 56.287 0.022 0.000 0.931 393 K CB -0.362 32.151 32.500 0.022 0.000 0.714 393 K HN 0.219 nan 8.250 nan 0.000 0.440 394 A N 1.313 124.150 122.820 0.029 0.000 1.908 394 A HA -0.173 4.147 4.320 0.000 0.000 0.218 394 A C 2.139 179.746 177.584 0.037 0.000 1.181 394 A CA 1.627 53.684 52.037 0.033 0.000 0.627 394 A CB -0.524 18.490 19.000 0.023 0.000 0.818 394 A HN 0.356 nan 8.150 nan 0.000 0.445 395 R N -0.694 119.823 120.500 0.029 0.000 2.073 395 R HA -0.094 4.246 4.340 0.000 0.000 0.234 395 R C 2.078 178.401 176.300 0.039 0.000 1.134 395 R CA 1.540 57.657 56.100 0.029 0.000 0.952 395 R CB -0.609 29.702 30.300 0.019 0.000 0.850 395 R HN 0.409 nan 8.270 nan 0.000 0.433 396 V N 1.555 121.489 119.914 0.034 0.000 2.324 396 V HA -0.262 3.858 4.120 0.000 0.000 0.250 396 V C 2.194 178.318 176.094 0.050 0.000 1.060 396 V CA 1.822 64.142 62.300 0.033 0.000 1.042 396 V CB -0.525 31.311 31.823 0.022 0.000 0.650 396 V HN 0.349 nan 8.190 nan 0.000 0.450 397 E N 0.013 120.255 120.200 0.069 0.000 2.058 397 E HA -0.278 4.072 4.350 0.000 0.000 0.194 397 E C 2.027 178.769 176.600 0.237 0.000 0.997 397 E CA 1.750 58.225 56.400 0.124 0.000 0.801 397 E CB -0.332 29.451 29.700 0.138 0.000 0.746 397 E HN 0.627 nan 8.360 nan 0.000 0.450 398 D N 0.280 120.774 120.400 0.158 0.000 2.116 398 D HA -0.155 4.485 4.640 0.000 0.000 0.193 398 D C 1.820 178.204 176.300 0.139 0.000 0.998 398 D CA 1.776 55.854 54.000 0.131 0.000 0.836 398 D CB -0.093 40.741 40.800 0.057 0.000 0.951 398 D HN 0.189 nan 8.370 nan 0.000 0.449 399 A N 0.224 123.098 122.820 0.091 0.000 1.897 399 A HA -0.060 4.260 4.320 0.000 0.000 0.215 399 A C 2.163 179.782 177.584 0.059 0.000 1.181 399 A CA 0.521 52.596 52.037 0.064 0.000 0.620 399 A CB -0.721 18.302 19.000 0.038 0.000 0.821 399 A HN 0.286 nan 8.150 nan 0.000 0.443 400 L N -0.472 120.775 121.223 0.041 0.000 2.051 400 L HA -0.296 4.044 4.340 0.000 0.000 0.214 400 L C 2.365 179.208 176.870 -0.046 0.000 1.076 400 L CA 2.676 57.503 54.840 -0.021 0.000 0.758 400 L CB -0.996 41.023 42.059 -0.067 0.000 0.890 400 L HN 0.580 nan 8.230 nan 0.000 0.433 401 H N -1.082 117.996 119.070 0.015 0.000 2.333 401 H HA -0.037 4.519 4.556 0.000 0.000 0.302 401 H C 2.204 177.543 175.328 0.018 0.000 1.075 401 H CA 1.588 57.647 56.048 0.017 0.000 1.348 401 H CB -0.047 29.727 29.762 0.019 0.000 1.393 401 H HN 0.448 nan 8.280 nan 0.000 0.509 402 A N 0.288 123.201 122.820 0.155 0.000 1.902 402 A HA -0.223 4.097 4.320 0.000 0.000 0.217 402 A C 2.473 180.091 177.584 0.057 0.000 1.181 402 A CA 2.186 54.277 52.037 0.090 0.000 0.623 402 A CB -1.165 17.875 19.000 0.068 0.000 0.818 402 A HN 0.624 nan 8.150 nan 0.000 0.443 403 T N -1.460 113.119 114.554 0.042 0.000 2.652 403 T HA -0.214 4.136 4.350 0.000 0.000 0.267 403 T C 1.914 176.626 174.700 0.020 0.000 1.039 403 T CA 1.254 63.367 62.100 0.023 0.000 1.153 403 T CB -0.504 68.370 68.868 0.011 0.000 0.863 403 T HN 0.471 nan 8.240 nan 0.000 0.428 404 R N 1.576 122.084 120.500 0.014 0.000 2.170 404 R HA 0.034 4.374 4.340 0.000 0.000 0.242 404 R C 2.779 179.096 176.300 0.029 0.000 1.145 404 R CA 1.337 57.443 56.100 0.011 0.000 0.984 404 R CB -0.778 29.516 30.300 -0.008 0.000 0.869 404 R HN 0.622 nan 8.270 nan 0.000 0.455 405 A N 0.845 123.692 122.820 0.046 0.000 1.935 405 A HA 0.104 4.424 4.320 0.000 0.000 0.214 405 A C 2.348 179.952 177.584 0.033 0.000 1.178 405 A CA 1.068 53.133 52.037 0.048 0.000 0.640 405 A CB -0.268 18.769 19.000 0.062 0.000 0.825 405 A HN 0.314 nan 8.150 nan 0.000 0.447 406 A N -0.375 122.463 122.820 0.029 0.000 1.902 406 A HA -0.015 4.305 4.320 0.000 0.000 0.217 406 A C 2.181 179.775 177.584 0.017 0.000 1.181 406 A CA 1.805 53.855 52.037 0.022 0.000 0.623 406 A CB -0.861 18.151 19.000 0.020 0.000 0.818 406 A HN 0.351 nan 8.150 nan 0.000 0.443 407 V N 1.045 120.968 119.914 0.016 0.000 2.427 407 V HA -0.247 3.873 4.120 0.000 0.000 0.248 407 V C 2.487 178.587 176.094 0.011 0.000 1.051 407 V CA 2.260 64.567 62.300 0.011 0.000 1.048 407 V CB -0.806 31.021 31.823 0.008 0.000 0.666 407 V HN 0.916 nan 8.190 nan 0.000 0.456 408 E N -0.206 120.003 120.200 0.015 0.000 2.318 408 E HA -0.107 4.243 4.350 0.000 0.000 0.193 408 E C 1.709 178.318 176.600 0.014 0.000 0.998 408 E CA 0.981 57.389 56.400 0.015 0.000 0.859 408 E CB 0.085 29.796 29.700 0.018 0.000 0.812 408 E HN 0.641 nan 8.360 nan 0.000 0.492 409 E N 0.076 120.285 120.200 0.016 0.000 2.676 409 E HA 0.216 4.566 4.350 0.000 0.000 0.225 409 E C 0.180 176.787 176.600 0.012 0.000 0.944 409 E CA 0.313 56.722 56.400 0.014 0.000 1.156 409 E CB 1.136 30.845 29.700 0.016 0.000 1.117 409 E HN 0.331 nan 8.360 nan 0.000 0.523 410 G N 0.316 109.124 108.800 0.013 0.000 2.698 410 G HA2 -0.185 3.775 3.960 0.000 0.000 0.225 410 G HA3 -0.185 3.775 3.960 0.000 0.000 0.225 410 G C -0.505 174.404 174.900 0.014 0.000 1.345 410 G CA -0.503 44.604 45.100 0.012 0.000 0.871 410 G HN 0.626 nan 8.290 nan 0.000 0.540 411 V N -2.643 117.279 119.914 0.014 0.000 2.962 411 V HA 0.976 5.096 4.120 0.000 0.000 0.313 411 V C 0.682 176.785 176.094 0.015 0.000 1.099 411 V CA 0.032 62.340 62.300 0.015 0.000 0.971 411 V CB 1.098 32.929 31.823 0.015 0.000 1.028 411 V HN 2.441 nan 8.190 nan 0.000 0.430 412 V N -0.783 119.141 119.914 0.016 0.000 3.156 412 V HA 1.037 5.157 4.120 0.000 0.000 0.311 412 V C 0.340 176.446 176.094 0.020 0.000 1.208 412 V CA -0.655 61.656 62.300 0.018 0.000 1.063 412 V CB 1.503 33.337 31.823 0.017 0.000 1.098 412 V HN 1.907 nan 8.190 nan 0.000 0.452 413 A N 0.623 123.457 122.820 0.024 0.000 2.409 413 A HA 0.752 5.072 4.320 0.000 0.000 0.267 413 A C 0.746 178.344 177.584 0.024 0.000 1.127 413 A CA 0.383 52.435 52.037 0.026 0.000 0.795 413 A CB -0.231 18.790 19.000 0.036 0.000 1.061 413 A HN 1.883 nan 8.150 nan 0.000 0.502 414 G N 0.803 109.614 108.800 0.019 0.000 2.516 414 G HA2 0.484 4.444 3.960 0.000 0.000 0.276 414 G HA3 0.484 4.444 3.960 0.000 0.000 0.276 414 G C 1.181 176.094 174.900 0.022 0.000 1.390 414 G CA 0.031 45.142 45.100 0.018 0.000 1.050 414 G HN 2.218 nan 8.290 nan 0.000 0.519 415 G N -2.257 106.556 108.800 0.023 0.000 2.166 415 G HA2 0.192 4.152 3.960 0.000 0.000 0.260 415 G HA3 0.192 4.152 3.960 0.000 0.000 0.260 415 G C 1.511 176.438 174.900 0.044 0.000 0.986 415 G CA 1.169 46.292 45.100 0.038 0.000 0.683 415 G HN 2.519 nan 8.290 nan 0.000 0.527 416 G N -2.131 106.690 108.800 0.034 0.000 2.179 416 G HA2 -0.074 3.886 3.960 0.000 0.000 0.257 416 G HA3 -0.074 3.886 3.960 0.000 0.000 0.257 416 G C 1.649 176.571 174.900 0.037 0.000 1.010 416 G CA 1.644 46.763 45.100 0.033 0.000 0.736 416 G HN 2.020 nan 8.290 nan 0.000 0.513 417 V N -0.030 119.908 119.914 0.041 0.000 2.323 417 V HA 0.170 4.290 4.120 0.000 0.000 0.244 417 V C 2.975 179.094 176.094 0.041 0.000 1.041 417 V CA 2.676 65.005 62.300 0.048 0.000 1.025 417 V CB -0.673 31.183 31.823 0.055 0.000 0.656 417 V HN 1.460 nan 8.190 nan 0.000 0.451 418 A N 0.168 123.009 122.820 0.035 0.000 1.896 418 A HA -0.263 4.057 4.320 0.000 0.000 0.220 418 A C 2.178 179.777 177.584 0.025 0.000 1.206 418 A CA 2.621 54.675 52.037 0.029 0.000 0.647 418 A CB -1.001 18.013 19.000 0.023 0.000 0.828 418 A HN 0.556 nan 8.150 nan 0.000 0.455 419 L N -1.018 120.219 121.223 0.023 0.000 2.046 419 L HA -0.095 4.245 4.340 0.000 0.000 0.208 419 L C 2.384 179.267 176.870 0.021 0.000 1.077 419 L CA 1.740 56.592 54.840 0.019 0.000 0.747 419 L CB -0.726 41.343 42.059 0.017 0.000 0.896 419 L HN 0.470 nan 8.230 nan 0.000 0.432 420 I N -1.371 119.215 120.570 0.027 0.000 2.335 420 I HA -0.303 3.867 4.170 0.000 0.000 0.251 420 I C 2.487 178.622 176.117 0.030 0.000 1.129 420 I CA 0.858 62.175 61.300 0.029 0.000 1.402 420 I CB -0.106 37.916 38.000 0.037 0.000 1.069 420 I HN 0.184 nan 8.210 nan 0.000 0.424 421 R N -0.069 120.451 120.500 0.033 0.000 2.066 421 R HA -0.084 4.256 4.340 0.000 0.000 0.232 421 R C 2.320 178.633 176.300 0.022 0.000 1.131 421 R CA 1.747 57.867 56.100 0.032 0.000 0.955 421 R CB -1.374 28.948 30.300 0.037 0.000 0.851 421 R HN 0.444 nan 8.270 nan 0.000 0.432 422 V N -0.310 119.614 119.914 0.018 0.000 2.626 422 V HA -0.010 4.110 4.120 0.000 0.000 0.252 422 V C 1.939 178.039 176.094 0.010 0.000 1.067 422 V CA 1.825 64.132 62.300 0.012 0.000 1.081 422 V CB -0.605 31.223 31.823 0.008 0.000 0.686 422 V HN 0.209 nan 8.190 nan 0.000 0.468 423 A N 1.437 124.264 122.820 0.012 0.000 1.933 423 A HA -0.133 4.187 4.320 0.000 0.000 0.218 423 A C 2.570 180.160 177.584 0.010 0.000 1.175 423 A CA 2.325 54.369 52.037 0.010 0.000 0.628 423 A CB -0.932 18.075 19.000 0.011 0.000 0.814 423 A HN 1.011 nan 8.150 nan 0.000 0.444 424 S N -0.654 115.053 115.700 0.012 0.000 2.461 424 S HA -0.033 4.437 4.470 0.000 0.000 0.228 424 S C 1.721 176.326 174.600 0.008 0.000 1.005 424 S CA 1.183 59.389 58.200 0.010 0.000 0.942 424 S CB -0.177 63.031 63.200 0.013 0.000 0.776 424 S HN 0.514 nan 8.310 nan 0.000 0.514 425 K N 1.003 121.408 120.400 0.009 0.000 2.211 425 K HA 0.200 4.520 4.320 0.000 0.000 0.203 425 K C 1.250 177.853 176.600 0.005 0.000 1.050 425 K CA 0.969 57.260 56.287 0.007 0.000 0.945 425 K CB -0.267 32.237 32.500 0.007 0.000 0.732 425 K HN 0.425 nan 8.250 nan 0.000 0.451 426 L N -0.348 120.878 121.223 0.005 0.000 2.653 426 L HA 0.229 4.569 4.340 0.000 0.000 0.231 426 L C 1.657 178.529 176.870 0.003 0.000 1.153 426 L CA -0.257 54.584 54.840 0.003 0.000 0.933 426 L CB 0.051 42.112 42.059 0.003 0.000 1.175 426 L HN 0.063 nan 8.230 nan 0.000 0.473 427 A N 0.067 122.889 122.820 0.003 0.000 2.139 427 A HA -0.201 4.119 4.320 0.000 0.000 0.221 427 A C 1.452 179.037 177.584 0.002 0.000 1.159 427 A CA 1.730 53.769 52.037 0.003 0.000 0.662 427 A CB -0.232 18.769 19.000 0.003 0.000 0.796 427 A HN 0.371 nan 8.150 nan 0.000 0.463 428 D N -1.476 118.925 120.400 0.002 0.000 2.431 428 D HA 0.208 4.848 4.640 0.000 0.000 0.213 428 D C -0.207 176.094 176.300 0.001 0.000 1.130 428 D CA -0.307 53.693 54.000 0.001 0.000 0.834 428 D CB 0.129 40.929 40.800 0.001 0.000 0.985 428 D HN 0.280 nan 8.370 nan 0.000 0.504 429 L N 1.847 123.071 121.223 0.001 0.000 2.410 429 L HA 0.190 4.530 4.340 0.000 0.000 0.273 429 L C 0.289 177.160 176.870 0.001 0.000 1.152 429 L CA 0.481 55.322 54.840 0.001 0.000 0.855 429 L CB 0.131 42.190 42.059 0.001 0.000 1.129 429 L HN -0.192 nan 8.230 nan 0.000 0.463 430 R N 2.812 123.313 120.500 0.001 0.000 2.888 430 R HA 0.746 5.086 4.340 0.000 0.000 0.264 430 R C -0.334 175.967 176.300 0.001 0.000 1.045 430 R CA -0.580 55.520 56.100 0.001 0.000 0.962 430 R CB 1.588 31.889 30.300 0.001 0.000 1.210 430 R HN 0.780 nan 8.270 nan 0.000 0.479 431 G N -0.420 108.381 108.800 0.002 0.000 3.075 431 G HA2 0.188 4.148 3.960 0.000 0.000 0.253 431 G HA3 0.188 4.148 3.960 0.000 0.000 0.253 431 G C 0.119 175.021 174.900 0.002 0.000 1.353 431 G CA -0.356 44.745 45.100 0.002 0.000 1.051 431 G HN 0.454 nan 8.290 nan 0.000 0.553 432 Q N -0.169 119.633 119.800 0.002 0.000 2.291 432 Q HA 0.005 4.345 4.340 0.000 0.000 0.206 432 Q C 0.515 176.516 176.000 0.002 0.000 0.976 432 Q CA 1.148 56.952 55.803 0.002 0.000 0.875 432 Q CB -0.061 28.679 28.738 0.003 0.000 0.927 432 Q HN 0.590 nan 8.270 nan 0.000 0.450 433 N N -1.802 116.900 118.700 0.002 0.000 2.961 433 N HA -0.031 4.709 4.740 0.000 0.000 0.245 433 N C -0.081 175.431 175.510 0.003 0.000 1.404 433 N CA -0.267 52.784 53.050 0.002 0.000 0.880 433 N CB 1.158 39.647 38.487 0.003 0.000 1.461 433 N HN -0.206 nan 8.380 nan 0.000 0.510 434 E N 0.531 120.733 120.200 0.002 0.000 2.085 434 E HA -0.155 4.195 4.350 0.000 0.000 0.194 434 E C 0.536 177.137 176.600 0.003 0.000 0.994 434 E CA 1.910 58.312 56.400 0.002 0.000 0.801 434 E CB -0.215 29.486 29.700 0.002 0.000 0.743 434 E HN 0.561 nan 8.360 nan 0.000 0.453 435 D N 0.239 120.641 120.400 0.003 0.000 2.092 435 D HA -0.186 4.454 4.640 0.000 0.000 0.193 435 D C 1.933 178.236 176.300 0.004 0.000 0.994 435 D CA 1.245 55.247 54.000 0.004 0.000 0.828 435 D CB -0.397 40.406 40.800 0.005 0.000 0.963 435 D HN 0.356 nan 8.370 nan 0.000 0.450 436 Q N -0.024 119.779 119.800 0.004 0.000 2.197 436 Q HA -0.167 4.173 4.340 0.000 0.000 0.207 436 Q C 1.721 177.724 176.000 0.004 0.000 0.984 436 Q CA 0.958 56.764 55.803 0.004 0.000 0.869 436 Q CB -0.039 28.702 28.738 0.004 0.000 0.906 436 Q HN 0.271 nan 8.270 nan 0.000 0.426 437 N N -0.380 118.322 118.700 0.003 0.000 2.171 437 N HA -0.103 4.637 4.740 0.000 0.000 0.184 437 N C 1.797 177.309 175.510 0.003 0.000 1.021 437 N CA 0.933 53.985 53.050 0.003 0.000 0.854 437 N CB -0.305 38.183 38.487 0.002 0.000 0.994 437 N HN 0.037 nan 8.380 nan 0.000 0.426 438 V N 0.836 120.752 119.914 0.003 0.000 2.407 438 V HA -0.132 3.988 4.120 0.000 0.000 0.248 438 V C 2.395 178.492 176.094 0.005 0.000 1.055 438 V CA 1.958 64.260 62.300 0.004 0.000 1.049 438 V CB -1.249 30.577 31.823 0.004 0.000 0.662 438 V HN 0.339 nan 8.190 nan 0.000 0.455 439 G N -0.030 108.773 108.800 0.005 0.000 2.446 439 G HA2 -0.238 3.722 3.960 0.000 0.000 0.217 439 G HA3 -0.238 3.722 3.960 0.000 0.000 0.217 439 G C 1.589 176.492 174.900 0.005 0.000 1.168 439 G CA 1.114 46.218 45.100 0.006 0.000 0.771 439 G HN 0.479 nan 8.290 nan 0.000 0.551 440 I N 0.077 120.649 120.570 0.004 0.000 2.127 440 I HA -0.151 4.019 4.170 0.000 0.000 0.241 440 I C 2.780 178.899 176.117 0.004 0.000 1.075 440 I CA 1.282 62.584 61.300 0.003 0.000 1.334 440 I CB -0.098 37.904 38.000 0.003 0.000 1.040 440 I HN 0.022 nan 8.210 nan 0.000 0.405 441 K N 0.439 120.841 120.400 0.004 0.000 2.147 441 K HA -0.103 4.217 4.320 0.000 0.000 0.205 441 K C 1.909 178.512 176.600 0.005 0.000 1.049 441 K CA 0.885 57.174 56.287 0.004 0.000 0.936 441 K CB -0.539 31.963 32.500 0.003 0.000 0.722 441 K HN 0.102 nan 8.250 nan 0.000 0.446 442 V N 0.418 120.335 119.914 0.005 0.000 2.287 442 V HA -0.302 3.818 4.120 0.000 0.000 0.248 442 V C 2.138 178.236 176.094 0.007 0.000 1.053 442 V CA 2.140 64.443 62.300 0.006 0.000 1.027 442 V CB -0.618 31.209 31.823 0.007 0.000 0.646 442 V HN 0.414 nan 8.190 nan 0.000 0.447 443 A N -0.493 122.330 122.820 0.006 0.000 1.873 443 A HA -0.107 4.213 4.320 0.000 0.000 0.215 443 A C 2.149 179.737 177.584 0.006 0.000 1.186 443 A CA 1.578 53.618 52.037 0.006 0.000 0.616 443 A CB -0.506 18.497 19.000 0.005 0.000 0.823 443 A HN 0.504 nan 8.150 nan 0.000 0.442 444 L N -1.130 120.096 121.223 0.005 0.000 2.043 444 L HA -0.236 4.104 4.340 0.000 0.000 0.212 444 L C 2.827 179.702 176.870 0.007 0.000 1.075 444 L CA 1.863 56.706 54.840 0.006 0.000 0.752 444 L CB -0.596 41.466 42.059 0.005 0.000 0.891 444 L HN 0.387 nan 8.230 nan 0.000 0.432 445 R N -0.048 120.456 120.500 0.007 0.000 2.081 445 R HA -0.131 4.209 4.340 0.000 0.000 0.235 445 R C 2.409 178.714 176.300 0.008 0.000 1.131 445 R CA 1.342 57.446 56.100 0.007 0.000 0.960 445 R CB -0.274 30.029 30.300 0.006 0.000 0.856 445 R HN 0.379 nan 8.270 nan 0.000 0.436 446 A N 0.271 123.097 122.820 0.009 0.000 2.015 446 A HA -0.155 4.165 4.320 0.000 0.000 0.219 446 A C 2.006 179.597 177.584 0.011 0.000 1.163 446 A CA 1.111 53.154 52.037 0.010 0.000 0.646 446 A CB -0.331 18.675 19.000 0.011 0.000 0.806 446 A HN 0.274 nan 8.150 nan 0.000 0.448 447 M N -0.508 119.099 119.600 0.011 0.000 2.446 447 M HA -0.137 4.343 4.480 0.000 0.000 0.263 447 M C 1.438 177.746 176.300 0.014 0.000 1.066 447 M CA 1.104 56.411 55.300 0.012 0.000 1.087 447 M CB -0.140 32.466 32.600 0.011 0.000 1.406 447 M HN 0.459 nan 8.290 nan 0.000 0.459 448 E N -0.575 119.633 120.200 0.013 0.000 2.481 448 E HA 0.004 4.354 4.350 0.000 0.000 0.195 448 E C 1.900 178.508 176.600 0.013 0.000 1.047 448 E CA 0.384 56.792 56.400 0.014 0.000 0.867 448 E CB 0.110 29.816 29.700 0.011 0.000 0.858 448 E HN 0.512 nan 8.360 nan 0.000 0.513 449 A N 2.282 125.110 122.820 0.013 0.000 1.858 449 A HA -0.103 4.217 4.320 0.000 0.000 0.216 449 A C -0.323 177.270 177.584 0.015 0.000 1.190 449 A CA 1.064 53.109 52.037 0.013 0.000 0.617 449 A CB -1.432 17.576 19.000 0.013 0.000 0.827 449 A HN 0.109 nan 8.150 nan 0.000 0.443 450 P HA -0.175 nan 4.420 nan 0.000 0.216 450 P C 1.759 179.074 177.300 0.025 0.000 1.153 450 P CA 1.030 64.143 63.100 0.021 0.000 0.858 450 P CB -0.109 31.605 31.700 0.023 0.000 0.789 451 L N -1.082 120.157 121.223 0.027 0.000 2.056 451 L HA -0.146 4.194 4.340 0.000 0.000 0.207 451 L C 2.472 179.355 176.870 0.021 0.000 1.078 451 L CA 1.648 56.508 54.840 0.033 0.000 0.749 451 L CB -0.223 41.857 42.059 0.036 0.000 0.901 451 L HN -0.215 nan 8.230 nan 0.000 0.433 452 R N -0.841 119.666 120.500 0.011 0.000 2.081 452 R HA -0.164 4.176 4.340 0.000 0.000 0.235 452 R C 2.393 178.695 176.300 0.004 0.000 1.131 452 R CA 1.346 57.447 56.100 0.000 0.000 0.960 452 R CB -0.228 30.072 30.300 -0.000 0.000 0.856 452 R HN 0.383 nan 8.270 nan 0.000 0.436 453 Q N 0.398 120.204 119.800 0.010 0.000 2.119 453 Q HA -0.082 4.258 4.340 0.000 0.000 0.201 453 Q C 2.127 178.138 176.000 0.017 0.000 0.972 453 Q CA 1.349 57.159 55.803 0.012 0.000 0.847 453 Q CB -0.057 28.689 28.738 0.013 0.000 0.903 453 Q HN 0.407 nan 8.270 nan 0.000 0.433 454 I N -0.318 120.268 120.570 0.026 0.000 2.226 454 I HA -0.264 3.906 4.170 0.000 0.000 0.245 454 I C 2.169 178.316 176.117 0.050 0.000 1.100 454 I CA 0.788 62.111 61.300 0.040 0.000 1.374 454 I CB -0.096 37.936 38.000 0.053 0.000 1.057 454 I HN -0.017 nan 8.210 nan 0.000 0.413 455 V N 0.170 120.107 119.914 0.037 0.000 2.453 455 V HA -0.230 3.890 4.120 0.000 0.000 0.247 455 V C 2.260 178.359 176.094 0.008 0.000 1.048 455 V CA 1.118 63.430 62.300 0.019 0.000 1.049 455 V CB -0.333 31.454 31.823 -0.061 0.000 0.672 455 V HN 0.309 nan 8.190 nan 0.000 0.457 456 L N 0.641 121.866 121.223 0.003 0.000 2.083 456 L HA -0.129 4.211 4.340 0.000 0.000 0.209 456 L C 1.985 178.860 176.870 0.008 0.000 1.083 456 L CA 1.857 56.698 54.840 0.002 0.000 0.752 456 L CB -1.288 40.772 42.059 0.001 0.000 0.899 456 L HN 0.415 nan 8.230 nan 0.000 0.433 457 N N -2.216 116.493 118.700 0.014 0.000 2.512 457 N HA -0.135 4.605 4.740 0.000 0.000 0.183 457 N C 1.368 176.889 175.510 0.018 0.000 1.073 457 N CA 0.848 53.907 53.050 0.014 0.000 0.911 457 N CB -0.016 38.480 38.487 0.015 0.000 0.964 457 N HN 0.373 nan 8.380 nan 0.000 0.447 458 C N -0.368 118.948 119.300 0.028 0.000 2.799 458 C HA 0.275 4.735 4.460 0.000 0.000 0.267 458 C C 1.658 176.662 174.990 0.025 0.000 1.257 458 C CA -0.080 58.959 59.018 0.035 0.000 1.702 458 C CB -0.746 27.038 27.740 0.073 0.000 1.934 458 C HN 0.603 nan 8.230 nan 0.000 0.594 459 G N 1.645 110.454 108.800 0.015 0.000 2.160 459 G HA2 -0.211 3.749 3.960 0.000 0.000 0.251 459 G HA3 -0.211 3.749 3.960 0.000 0.000 0.251 459 G C -0.307 174.596 174.900 0.006 0.000 1.008 459 G CA 0.326 45.431 45.100 0.009 0.000 0.724 459 G HN 0.621 nan 8.290 nan 0.000 0.514 460 E N -0.086 120.115 120.200 0.001 0.000 2.281 460 E HA 0.481 4.831 4.350 0.000 0.000 0.257 460 E C -0.094 176.485 176.600 -0.035 0.000 0.971 460 E CA -0.924 55.466 56.400 -0.017 0.000 0.839 460 E CB 0.913 30.596 29.700 -0.027 0.000 1.238 460 E HN 0.397 nan 8.360 nan 0.000 0.412 461 E N 1.717 121.890 120.200 -0.045 0.000 2.166 461 E HA 0.070 4.420 4.350 0.000 0.000 0.279 461 E C -2.060 174.503 176.600 -0.061 0.000 1.095 461 E CA -1.540 54.836 56.400 -0.041 0.000 0.888 461 E CB 0.736 30.419 29.700 -0.029 0.000 1.041 461 E HN 0.239 nan 8.360 nan 0.000 0.414 462 P HA -0.137 nan 4.420 nan 0.000 0.219 462 P C 1.240 178.513 177.300 -0.044 0.000 1.150 462 P CA 1.011 64.081 63.100 -0.050 0.000 0.814 462 P CB 0.244 31.929 31.700 -0.027 0.000 0.787 463 S N -2.035 113.646 115.700 -0.032 0.000 2.528 463 S HA 0.034 4.504 4.470 0.000 0.000 0.219 463 S C 1.801 176.385 174.600 -0.025 0.000 0.985 463 S CA 0.197 58.383 58.200 -0.023 0.000 0.914 463 S CB -1.143 62.048 63.200 -0.014 0.000 0.776 463 S HN -0.063 nan 8.310 nan 0.000 0.526 464 V N 1.245 121.139 119.914 -0.034 0.000 2.426 464 V HA -0.031 4.089 4.120 0.000 0.000 0.242 464 V C 2.489 178.563 176.094 -0.033 0.000 1.036 464 V CA 1.062 63.345 62.300 -0.028 0.000 1.044 464 V CB -0.326 31.485 31.823 -0.020 0.000 0.688 464 V HN 0.395 nan 8.190 nan 0.000 0.462 465 V N 0.540 120.407 119.914 -0.078 0.000 2.233 465 V HA -0.297 3.823 4.120 0.000 0.000 0.247 465 V C 2.772 178.848 176.094 -0.029 0.000 1.050 465 V CA 2.287 64.528 62.300 -0.097 0.000 1.010 465 V CB -1.211 30.383 31.823 -0.381 0.000 0.637 465 V HN 0.559 nan 8.190 nan 0.000 0.444 466 A N 0.155 122.954 122.820 -0.035 0.000 1.903 466 A HA -0.343 3.977 4.320 0.000 0.000 0.219 466 A C 2.035 179.618 177.584 -0.001 0.000 1.191 466 A CA 2.593 54.626 52.037 -0.006 0.000 0.638 466 A CB -0.937 18.059 19.000 -0.006 0.000 0.823 466 A HN 0.608 nan 8.150 nan 0.000 0.451 467 N N -0.507 118.186 118.700 -0.013 0.000 2.069 467 N HA -0.148 4.592 4.740 0.000 0.000 0.191 467 N C 2.040 177.536 175.510 -0.023 0.000 1.031 467 N CA 2.486 55.527 53.050 -0.014 0.000 0.852 467 N CB -0.674 37.802 38.487 -0.019 0.000 1.018 467 N HN 0.731 nan 8.380 nan 0.000 0.423 468 T N -2.204 112.316 114.554 -0.057 0.000 2.904 468 T HA 0.010 4.360 4.350 0.000 0.000 0.267 468 T C 2.018 176.710 174.700 -0.014 0.000 1.059 468 T CA 0.952 62.986 62.100 -0.111 0.000 1.137 468 T CB -0.658 68.008 68.868 -0.336 0.000 0.879 468 T HN -0.072 nan 8.240 nan 0.000 0.467 469 V N 1.828 121.744 119.914 0.003 0.000 2.343 469 V HA -0.112 4.008 4.120 0.000 0.000 0.247 469 V C 2.812 178.983 176.094 0.128 0.000 1.051 469 V CA 1.758 64.112 62.300 0.090 0.000 1.036 469 V CB -0.604 31.264 31.823 0.074 0.000 0.654 469 V HN 0.505 nan 8.190 nan 0.000 0.451 470 K N 0.268 120.707 120.400 0.064 0.000 2.209 470 K HA -0.093 4.227 4.320 0.000 0.000 0.204 470 K C 2.086 178.712 176.600 0.044 0.000 1.048 470 K CA 1.263 57.580 56.287 0.049 0.000 0.940 470 K CB -0.455 32.059 32.500 0.024 0.000 0.729 470 K HN 0.576 nan 8.250 nan 0.000 0.451 471 G N 0.654 109.477 108.800 0.038 0.000 2.598 471 G HA2 -0.039 3.921 3.960 0.000 0.000 0.215 471 G HA3 -0.039 3.921 3.960 0.000 0.000 0.215 471 G C 0.708 175.590 174.900 -0.030 0.000 1.131 471 G CA 0.509 45.609 45.100 -0.000 0.000 0.785 471 G HN 0.345 nan 8.290 nan 0.000 0.539 472 G N -0.859 107.957 108.800 0.027 0.000 2.695 472 G HA2 0.531 4.491 3.960 0.000 0.000 0.213 472 G HA3 0.531 4.491 3.960 0.000 0.000 0.213 472 G C -1.166 173.729 174.900 -0.010 0.000 1.406 472 G CA -0.446 44.591 45.100 -0.104 0.000 1.049 472 G HN 0.109 nan 8.290 nan 0.000 0.573 473 D N -2.003 118.394 120.400 -0.005 0.000 2.596 473 D HA 0.494 5.135 4.640 0.000 0.000 0.234 473 D C 0.861 177.202 176.300 0.067 0.000 1.181 473 D CA 0.564 54.577 54.000 0.022 0.000 0.856 473 D CB 1.716 42.504 40.800 -0.021 0.000 1.498 473 D HN 0.875 nan 8.370 nan 0.000 0.446 474 G N 1.852 110.685 108.800 0.055 0.000 2.672 474 G HA2 -0.376 3.584 3.960 0.000 0.000 0.332 474 G HA3 -0.376 3.584 3.960 0.000 0.000 0.332 474 G C 0.314 175.266 174.900 0.087 0.000 1.213 474 G CA 0.650 45.786 45.100 0.059 0.000 0.980 474 G HN 0.644 nan 8.290 nan 0.000 0.548 475 N N -0.133 118.627 118.700 0.101 0.000 2.321 475 N HA 0.313 5.053 4.740 0.000 0.000 0.242 475 N C -0.251 175.359 175.510 0.167 0.000 1.141 475 N CA -0.329 52.785 53.050 0.106 0.000 0.864 475 N CB 0.498 39.030 38.487 0.074 0.000 1.100 475 N HN 0.429 nan 8.380 nan 0.000 0.510 476 Y N 1.702 122.031 120.300 0.047 0.000 2.526 476 Y HA 0.387 4.937 4.550 0.000 0.000 0.330 476 Y C 0.635 176.597 175.900 0.103 0.000 1.156 476 Y CA 0.195 58.337 58.100 0.070 0.000 1.419 476 Y CB 0.385 38.874 38.460 0.049 0.000 1.250 476 Y HN 0.065 nan 8.280 nan 0.000 0.540 477 G N 3.936 112.609 108.800 -0.212 0.000 2.600 477 G HA2 0.273 4.233 3.960 0.000 0.000 0.293 477 G HA3 0.273 4.233 3.960 0.000 0.000 0.293 477 G C -2.490 172.378 174.900 -0.052 0.000 1.408 477 G CA -0.942 44.093 45.100 -0.109 0.000 0.782 477 G HN 0.512 nan 8.290 nan 0.000 0.482 478 Y N 1.469 121.714 120.300 -0.091 0.000 2.320 478 Y HA 0.551 5.101 4.550 0.000 0.000 0.334 478 Y C 0.139 175.938 175.900 -0.169 0.000 1.055 478 Y CA -1.413 56.580 58.100 -0.179 0.000 1.143 478 Y CB 1.468 39.844 38.460 -0.141 0.000 1.193 478 Y HN 0.410 nan 8.280 nan 0.000 0.477 479 N N 4.860 123.119 118.700 -0.735 0.000 2.521 479 N HA 0.187 4.927 4.740 0.000 0.000 0.236 479 N C 0.459 175.427 175.510 -0.904 0.000 1.067 479 N CA 0.502 53.194 53.050 -0.597 0.000 0.939 479 N CB 1.066 39.320 38.487 -0.388 0.000 1.201 479 N HN 0.899 nan 8.380 nan 0.000 0.511 480 A N 3.463 125.933 122.820 -0.584 0.000 1.978 480 A HA -0.103 4.217 4.320 0.000 0.000 0.220 480 A C 2.023 179.464 177.584 -0.238 0.000 1.170 480 A CA 1.836 53.673 52.037 -0.333 0.000 0.636 480 A CB -0.419 18.578 19.000 -0.006 0.000 0.810 480 A HN 0.673 nan 8.150 nan 0.000 0.448 481 A N -0.678 122.015 122.820 -0.213 0.000 1.929 481 A HA 0.010 4.330 4.320 0.000 0.000 0.216 481 A C 2.208 179.697 177.584 -0.159 0.000 1.176 481 A CA 2.110 54.063 52.037 -0.141 0.000 0.628 481 A CB -0.783 18.154 19.000 -0.106 0.000 0.816 481 A HN 0.806 nan 8.150 nan 0.000 0.444 482 T N -2.644 111.772 114.554 -0.230 0.000 3.092 482 T HA 0.220 4.570 4.350 0.000 0.000 0.258 482 T C 0.189 174.744 174.700 -0.242 0.000 1.031 482 T CA 0.588 62.573 62.100 -0.193 0.000 0.925 482 T CB -0.427 68.343 68.868 -0.163 0.000 1.036 482 T HN 0.620 nan 8.240 nan 0.000 0.544 483 E N 1.610 121.584 120.200 -0.375 0.000 2.494 483 E HA -0.235 4.115 4.350 0.000 0.000 0.249 483 E C -0.405 175.960 176.600 -0.390 0.000 1.184 483 E CA 0.962 57.126 56.400 -0.393 0.000 0.727 483 E CB -2.199 27.457 29.700 -0.072 0.000 1.281 483 E HN 0.949 nan 8.360 nan 0.000 0.405 484 E N -0.358 119.527 120.200 -0.525 0.000 2.343 484 E HA 0.526 4.876 4.350 0.000 0.000 0.270 484 E C -0.717 175.620 176.600 -0.438 0.000 0.895 484 E CA -1.039 55.135 56.400 -0.377 0.000 0.767 484 E CB 0.930 30.550 29.700 -0.133 0.000 1.248 484 E HN 0.080 nan 8.360 nan 0.000 0.440 485 Y N 0.203 120.491 120.300 -0.020 0.000 2.300 485 Y HA 0.591 5.141 4.550 0.000 0.000 0.328 485 Y C 1.122 176.982 175.900 -0.066 0.000 1.270 485 Y CA 0.779 58.812 58.100 -0.111 0.000 1.352 485 Y CB 1.587 39.957 38.460 -0.149 0.000 1.286 485 Y HN 0.834 nan 8.280 nan 0.000 0.536 486 G N 0.605 109.429 108.800 0.040 0.000 2.325 486 G HA2 0.009 3.969 3.960 0.000 0.000 0.295 486 G HA3 0.009 3.969 3.960 0.000 0.000 0.295 486 G C -1.898 173.082 174.900 0.134 0.000 1.274 486 G CA -1.176 44.009 45.100 0.142 0.000 0.857 486 G HN 0.521 nan 8.290 nan 0.000 0.499 487 N N 1.110 119.889 118.700 0.131 0.000 2.401 487 N HA 0.117 4.857 4.740 0.000 0.000 0.255 487 N C 1.678 177.219 175.510 0.052 0.000 1.110 487 N CA -0.469 52.645 53.050 0.108 0.000 0.949 487 N CB 0.845 39.387 38.487 0.092 0.000 1.110 487 N HN 0.373 nan 8.380 nan 0.000 0.490 488 M N 3.484 123.109 119.600 0.042 0.000 2.159 488 M HA -0.145 4.335 4.480 0.000 0.000 0.263 488 M C 1.584 177.893 176.300 0.014 0.000 1.063 488 M CA 1.020 56.329 55.300 0.015 0.000 1.110 488 M CB -0.541 32.069 32.600 0.017 0.000 1.374 488 M HN 0.533 nan 8.290 nan 0.000 0.411 489 I N 0.523 121.108 120.570 0.025 0.000 2.252 489 I HA -0.240 3.930 4.170 0.000 0.000 0.245 489 I C 1.866 177.992 176.117 0.015 0.000 1.102 489 I CA 1.324 62.636 61.300 0.019 0.000 1.385 489 I CB -1.507 36.507 38.000 0.023 0.000 1.064 489 I HN 0.236 nan 8.210 nan 0.000 0.414 490 D N 0.838 121.250 120.400 0.020 0.000 2.144 490 D HA -0.142 4.498 4.640 0.000 0.000 0.199 490 D C 2.192 178.496 176.300 0.006 0.000 0.984 490 D CA 1.134 55.144 54.000 0.016 0.000 0.834 490 D CB -0.128 40.687 40.800 0.024 0.000 0.955 490 D HN 0.344 nan 8.370 nan 0.000 0.465 491 M N -0.573 119.027 119.600 0.001 0.000 2.659 491 M HA 0.134 4.614 4.480 0.000 0.000 0.243 491 M C 1.116 177.406 176.300 -0.016 0.000 1.111 491 M CA 0.583 55.874 55.300 -0.014 0.000 1.070 491 M CB 0.209 32.791 32.600 -0.031 0.000 1.525 491 M HN 0.028 nan 8.290 nan 0.000 0.517 492 G N 2.292 111.088 108.800 -0.007 0.000 2.179 492 G HA2 -0.249 3.711 3.960 0.000 0.000 0.257 492 G HA3 -0.249 3.711 3.960 0.000 0.000 0.257 492 G C 0.087 174.982 174.900 -0.009 0.000 1.010 492 G CA -0.112 44.985 45.100 -0.006 0.000 0.736 492 G HN 0.583 nan 8.290 nan 0.000 0.513 493 I N 1.216 121.779 120.570 -0.011 0.000 2.257 493 I HA 0.337 4.507 4.170 0.000 0.000 0.290 493 I C 0.495 176.612 176.117 -0.000 0.000 1.137 493 I CA -0.252 61.041 61.300 -0.011 0.000 1.255 493 I CB 0.124 38.110 38.000 -0.023 0.000 1.485 493 I HN 0.002 nan 8.210 nan 0.000 0.534 494 L N 4.027 125.253 121.223 0.004 0.000 2.313 494 L HA 0.530 4.870 4.340 0.000 0.000 0.283 494 L C -0.583 176.294 176.870 0.012 0.000 1.013 494 L CA -0.844 54.002 54.840 0.010 0.000 0.816 494 L CB 1.494 43.559 42.059 0.010 0.000 1.236 494 L HN 0.295 nan 8.230 nan 0.000 0.419 495 D N 3.659 124.068 120.400 0.015 0.000 2.175 495 D HA 0.344 4.984 4.640 0.000 0.000 0.248 495 D C -2.429 173.883 176.300 0.020 0.000 1.047 495 D CA -1.522 52.489 54.000 0.018 0.000 0.883 495 D CB 1.595 42.406 40.800 0.019 0.000 1.180 495 D HN 0.207 nan 8.370 nan 0.000 0.438 496 P HA 0.115 nan 4.420 nan 0.000 0.276 496 P C 0.696 178.009 177.300 0.023 0.000 1.243 496 P CA -0.211 62.904 63.100 0.025 0.000 0.768 496 P CB 0.738 32.458 31.700 0.033 0.000 0.856 497 T N 2.732 117.297 114.554 0.018 0.000 2.635 497 T HA -0.239 4.112 4.350 0.000 0.000 0.267 497 T C 1.625 176.332 174.700 0.012 0.000 1.040 497 T CA 1.547 63.655 62.100 0.014 0.000 1.156 497 T CB -0.487 68.387 68.868 0.010 0.000 0.863 497 T HN 0.497 nan 8.240 nan 0.000 0.430 498 K N 0.739 121.149 120.400 0.017 0.000 2.189 498 K HA -0.181 4.139 4.320 0.000 0.000 0.207 498 K C 2.294 178.910 176.600 0.027 0.000 1.046 498 K CA 1.727 58.026 56.287 0.020 0.000 0.928 498 K CB -0.341 32.178 32.500 0.032 0.000 0.720 498 K HN 0.381 nan 8.250 nan 0.000 0.458 499 V N -1.102 118.831 119.914 0.033 0.000 2.446 499 V HA -0.105 4.015 4.120 0.000 0.000 0.244 499 V C 1.723 177.834 176.094 0.029 0.000 1.039 499 V CA 2.011 64.335 62.300 0.041 0.000 1.045 499 V CB -0.423 31.427 31.823 0.044 0.000 0.681 499 V HN 0.295 nan 8.190 nan 0.000 0.459 500 T N 0.935 115.501 114.554 0.020 0.000 2.720 500 T HA -0.186 4.164 4.350 0.000 0.000 0.268 500 T C 2.066 176.766 174.700 -0.001 0.000 1.037 500 T CA 2.134 64.242 62.100 0.013 0.000 1.144 500 T CB -0.449 68.427 68.868 0.012 0.000 0.864 500 T HN 0.512 nan 8.240 nan 0.000 0.444 501 R N 0.943 121.436 120.500 -0.013 0.000 2.075 501 R HA -0.012 4.328 4.340 0.000 0.000 0.232 501 R C 2.457 178.704 176.300 -0.089 0.000 1.126 501 R CA 1.552 57.626 56.100 -0.043 0.000 0.963 501 R CB -0.616 29.659 30.300 -0.042 0.000 0.858 501 R HN 0.293 nan 8.270 nan 0.000 0.435 502 S N 0.855 116.510 115.700 -0.075 0.000 2.355 502 S HA -0.058 4.413 4.470 0.000 0.000 0.222 502 S C 2.079 176.654 174.600 -0.040 0.000 1.031 502 S CA 1.085 59.198 58.200 -0.145 0.000 0.993 502 S CB -0.295 62.943 63.200 0.063 0.000 0.859 502 S HN 0.545 nan 8.310 nan 0.000 0.453 503 A N 2.026 124.882 122.820 0.060 0.000 1.884 503 A HA -0.163 4.157 4.320 0.000 0.000 0.219 503 A C 2.115 179.720 177.584 0.034 0.000 1.197 503 A CA 1.584 53.667 52.037 0.077 0.000 0.637 503 A CB -1.023 18.009 19.000 0.053 0.000 0.827 503 A HN 0.458 nan 8.150 nan 0.000 0.450 504 L N -0.909 120.308 121.223 -0.010 0.000 1.989 504 L HA -0.274 4.066 4.340 0.000 0.000 0.211 504 L C 2.850 179.689 176.870 -0.051 0.000 1.071 504 L CA 2.414 57.240 54.840 -0.022 0.000 0.749 504 L CB -0.786 41.255 42.059 -0.029 0.000 0.890 504 L HN 0.573 nan 8.230 nan 0.000 0.431 505 Q N -1.106 118.609 119.800 -0.141 0.000 2.014 505 Q HA -0.270 4.070 4.340 0.000 0.000 0.207 505 Q C 2.072 177.978 176.000 -0.157 0.000 0.993 505 Q CA 2.359 58.032 55.803 -0.217 0.000 0.850 505 Q CB -0.318 28.177 28.738 -0.405 0.000 0.916 505 Q HN 0.478 nan 8.270 nan 0.000 0.417 506 Y N -0.247 120.056 120.300 0.006 0.000 2.224 506 Y HA -0.176 4.374 4.550 0.000 0.000 0.289 506 Y C 2.274 178.177 175.900 0.005 0.000 1.146 506 Y CA 0.921 59.024 58.100 0.005 0.000 1.182 506 Y CB -0.848 37.614 38.460 0.003 0.000 0.983 506 Y HN 0.169 nan 8.280 nan 0.000 0.524 507 A N 0.012 122.920 122.820 0.147 0.000 1.873 507 A HA -0.046 4.274 4.320 0.000 0.000 0.215 507 A C 2.504 180.124 177.584 0.061 0.000 1.186 507 A CA 1.747 53.838 52.037 0.090 0.000 0.616 507 A CB -1.256 17.782 19.000 0.063 0.000 0.823 507 A HN 0.365 nan 8.150 nan 0.000 0.442 508 A N -0.757 122.087 122.820 0.039 0.000 1.883 508 A HA -0.152 4.168 4.320 0.000 0.000 0.217 508 A C 2.464 180.069 177.584 0.034 0.000 1.186 508 A CA 2.271 54.323 52.037 0.025 0.000 0.624 508 A CB -1.147 17.856 19.000 0.006 0.000 0.822 508 A HN 0.533 nan 8.150 nan 0.000 0.444 509 S N -1.004 114.724 115.700 0.047 0.000 2.372 509 S HA -0.201 4.269 4.470 0.000 0.000 0.227 509 S C 2.044 176.680 174.600 0.059 0.000 1.044 509 S CA 2.354 60.590 58.200 0.060 0.000 1.050 509 S CB -0.674 62.588 63.200 0.103 0.000 0.901 509 S HN 1.034 nan 8.310 nan 0.000 0.447 510 V N 0.770 120.724 119.914 0.066 0.000 2.331 510 V HA 0.221 4.341 4.120 0.000 0.000 0.242 510 V C 2.405 178.521 176.094 0.037 0.000 1.034 510 V CA 1.634 63.963 62.300 0.048 0.000 1.027 510 V CB -1.384 30.465 31.823 0.044 0.000 0.667 510 V HN 0.488 nan 8.190 nan 0.000 0.457 511 A N 1.089 123.931 122.820 0.037 0.000 1.915 511 A HA -0.170 4.150 4.320 0.000 0.000 0.220 511 A C 2.478 180.077 177.584 0.025 0.000 1.198 511 A CA 2.853 54.907 52.037 0.029 0.000 0.647 511 A CB -1.881 17.135 19.000 0.027 0.000 0.825 511 A HN 0.970 nan 8.150 nan 0.000 0.456 512 G N -0.377 108.438 108.800 0.025 0.000 2.599 512 G HA2 -0.307 3.653 3.960 0.000 0.000 0.219 512 G HA3 -0.307 3.653 3.960 0.000 0.000 0.219 512 G C 1.592 176.505 174.900 0.022 0.000 1.193 512 G CA 1.300 46.413 45.100 0.022 0.000 0.778 512 G HN 0.470 nan 8.290 nan 0.000 0.589 513 L N -0.269 120.968 121.223 0.025 0.000 2.017 513 L HA -0.082 4.258 4.340 0.000 0.000 0.208 513 L C 3.197 180.081 176.870 0.024 0.000 1.073 513 L CA 1.269 56.124 54.840 0.024 0.000 0.745 513 L CB -0.290 41.785 42.059 0.025 0.000 0.894 513 L HN 0.256 nan 8.230 nan 0.000 0.432 514 M N -0.207 119.407 119.600 0.024 0.000 2.143 514 M HA -0.250 4.230 4.480 0.000 0.000 0.258 514 M C 2.156 178.470 176.300 0.023 0.000 1.071 514 M CA 1.876 57.190 55.300 0.024 0.000 1.088 514 M CB -0.520 32.094 32.600 0.024 0.000 1.360 514 M HN 0.393 nan 8.290 nan 0.000 0.404 515 I N -2.281 118.301 120.570 0.021 0.000 3.564 515 I HA -0.029 4.141 4.170 0.000 0.000 0.294 515 I C 1.562 177.692 176.117 0.021 0.000 1.289 515 I CA 1.100 62.411 61.300 0.020 0.000 1.325 515 I CB -0.554 37.456 38.000 0.017 0.000 1.039 515 I HN 0.160 nan 8.210 nan 0.000 0.474 516 T N -2.432 112.135 114.554 0.022 0.000 3.145 516 T HA 0.195 4.545 4.350 0.000 0.000 0.255 516 T C 0.661 175.378 174.700 0.029 0.000 1.039 516 T CA -0.261 61.854 62.100 0.024 0.000 0.928 516 T CB -0.797 68.085 68.868 0.023 0.000 1.029 516 T HN 0.216 nan 8.240 nan 0.000 0.554 517 T N 2.839 117.410 114.554 0.029 0.000 2.867 517 T HA 0.190 4.540 4.350 0.000 0.000 0.297 517 T C 0.799 175.523 174.700 0.040 0.000 0.989 517 T CA 0.118 62.237 62.100 0.032 0.000 1.159 517 T CB 1.196 70.081 68.868 0.029 0.000 0.928 517 T HN 0.427 nan 8.240 nan 0.000 0.538 518 E N 0.958 121.190 120.200 0.055 0.000 2.508 518 E HA 0.199 4.549 4.350 0.000 0.000 0.217 518 E C 0.008 176.683 176.600 0.125 0.000 0.896 518 E CA -0.136 56.316 56.400 0.087 0.000 1.118 518 E CB 0.574 30.332 29.700 0.097 0.000 1.133 518 E HN 0.633 nan 8.360 nan 0.000 0.526 519 C N 0.289 119.624 119.300 0.058 0.000 2.994 519 C HA 0.792 5.252 4.460 0.000 0.000 0.305 519 C C -1.537 173.404 174.990 -0.081 0.000 1.251 519 C CA -0.647 58.325 59.018 -0.077 0.000 1.478 519 C CB 0.749 28.445 27.740 -0.074 0.000 1.922 519 C HN 0.350 nan 8.230 nan 0.000 0.472 520 M N 4.419 123.945 119.600 -0.123 0.000 2.271 520 M HA 0.523 5.003 4.480 0.000 0.000 0.285 520 M C -1.325 175.031 176.300 0.093 0.000 1.059 520 M CA -0.415 54.912 55.300 0.046 0.000 0.940 520 M CB 2.148 34.869 32.600 0.201 0.000 1.636 520 M HN 0.427 nan 8.290 nan 0.000 0.460 521 V N 1.665 121.596 119.914 0.029 0.000 2.540 521 V HA 0.858 4.978 4.120 0.000 0.000 0.302 521 V C -0.241 175.798 176.094 -0.092 0.000 1.035 521 V CA -0.311 61.978 62.300 -0.017 0.000 0.873 521 V CB 1.995 33.795 31.823 -0.038 0.000 0.992 521 V HN 0.956 nan 8.190 nan 0.000 0.428 522 T N 2.142 116.594 114.554 -0.170 0.000 2.661 522 T HA 0.363 4.713 4.350 0.000 0.000 0.305 522 T C -1.647 172.925 174.700 -0.213 0.000 1.441 522 T CA -0.510 61.433 62.100 -0.261 0.000 0.999 522 T CB 1.907 70.467 68.868 -0.514 0.000 1.650 522 T HN 0.590 nan 8.240 nan 0.000 0.489 523 D N 1.053 121.334 120.400 -0.197 0.000 2.329 523 D HA 0.445 5.085 4.640 0.000 0.000 0.246 523 D C 0.097 176.326 176.300 -0.119 0.000 1.111 523 D CA -0.122 53.803 54.000 -0.126 0.000 0.941 523 D CB 0.483 41.224 40.800 -0.098 0.000 1.169 523 D HN 0.421 nan 8.370 nan 0.000 0.441 524 L N 2.577 123.763 121.223 -0.062 0.000 2.426 524 L HA 0.216 4.556 4.340 0.000 0.000 0.271 524 L C -1.420 175.429 176.870 -0.036 0.000 1.169 524 L CA -1.388 53.433 54.840 -0.032 0.000 0.836 524 L CB 0.223 42.276 42.059 -0.009 0.000 1.112 524 L HN 0.338 nan 8.230 nan 0.000 0.465 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.091 63.100 -0.015 0.000 0.800 525 P CB 0.000 31.704 31.700 0.007 0.000 0.726