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 2eu1_1_M 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 RQIVLNCGEK 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 0.000 177.579 177.584 -0.008 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 3 A N 1.817 124.634 122.820 -0.004 0.000 2.548 3 A HA 0.514 4.834 4.320 0.000 0.000 0.247 3 A C 0.327 177.907 177.584 -0.006 0.000 1.067 3 A CA 0.388 52.426 52.037 0.001 0.000 0.757 3 A CB -0.201 18.803 19.000 0.005 0.000 0.996 3 A HN 0.595 nan 8.150 nan 0.000 0.504 4 K N 1.564 121.963 120.400 -0.001 0.000 2.168 4 K HA 0.467 4.787 4.320 0.000 0.000 0.239 4 K C -0.969 175.637 176.600 0.011 0.000 0.999 4 K CA -0.712 55.567 56.287 -0.013 0.000 0.900 4 K CB 1.180 33.671 32.500 -0.014 0.000 1.111 4 K HN 0.718 nan 8.250 nan 0.000 0.452 5 D N 0.599 121.003 120.400 0.006 0.000 2.375 5 D HA 0.371 5.011 4.640 0.000 0.000 0.247 5 D C -1.403 174.994 176.300 0.161 0.000 1.061 5 D CA -0.620 53.434 54.000 0.090 0.000 0.834 5 D CB 1.460 42.320 40.800 0.100 0.000 1.247 5 D HN 0.040 nan 8.370 nan 0.000 0.489 6 V N 4.437 124.446 119.914 0.158 0.000 2.483 6 V HA 0.393 4.513 4.120 0.000 0.000 0.297 6 V C 0.152 176.213 176.094 -0.054 0.000 1.027 6 V CA -0.801 61.527 62.300 0.046 0.000 0.855 6 V CB 1.806 33.607 31.823 -0.036 0.000 0.995 6 V HN 0.386 nan 8.190 nan 0.000 0.424 7 K N 3.538 123.809 120.400 -0.214 0.000 2.156 7 K HA 0.728 5.048 4.320 0.000 0.000 0.254 7 K C -1.492 174.798 176.600 -0.516 0.000 0.950 7 K CA -0.517 55.558 56.287 -0.354 0.000 0.849 7 K CB 2.173 34.251 32.500 -0.703 0.000 1.100 7 K HN 0.426 nan 8.250 nan 0.000 0.434 8 F N -0.148 119.749 119.950 -0.089 0.000 2.561 8 F HA 0.347 4.874 4.527 -0.000 0.000 0.321 8 F C 1.147 176.912 175.800 -0.059 0.000 1.065 8 F CA 0.027 57.995 58.000 -0.052 0.000 0.934 8 F CB 1.713 40.696 39.000 -0.029 0.000 1.215 8 F HN 0.838 nan 8.300 nan 0.000 0.471 9 G N 2.462 111.372 108.800 0.182 0.000 2.551 9 G HA2 -0.447 3.513 3.960 0.000 0.000 0.383 9 G HA3 -0.447 3.513 3.960 0.000 0.000 0.383 9 G C 1.308 176.222 174.900 0.024 0.000 1.370 9 G CA 0.730 45.883 45.100 0.088 0.000 0.940 9 G HN 0.848 nan 8.290 nan 0.000 0.524 10 N N 0.105 118.815 118.700 0.017 0.000 2.171 10 N HA -0.293 4.447 4.740 0.000 0.000 0.200 10 N C 1.761 177.255 175.510 -0.027 0.000 0.991 10 N CA 2.775 55.823 53.050 -0.004 0.000 0.906 10 N CB -0.410 38.076 38.487 -0.000 0.000 1.060 10 N HN 0.638 nan 8.380 nan 0.000 0.510 11 D N 0.043 120.425 120.400 -0.031 0.000 2.087 11 D HA -0.077 4.563 4.640 0.000 0.000 0.192 11 D C 1.758 177.975 176.300 -0.138 0.000 0.993 11 D CA 1.846 55.803 54.000 -0.072 0.000 0.828 11 D CB -0.561 40.203 40.800 -0.060 0.000 0.968 11 D HN 0.404 nan 8.370 nan 0.000 0.448 12 A N 0.158 122.881 122.820 -0.162 0.000 2.070 12 A HA -0.151 4.169 4.320 0.000 0.000 0.220 12 A C 2.279 179.779 177.584 -0.139 0.000 1.159 12 A CA 1.210 53.102 52.037 -0.242 0.000 0.656 12 A CB -0.345 18.524 19.000 -0.218 0.000 0.800 12 A HN 0.226 nan 8.150 nan 0.000 0.453 13 R N -0.647 119.806 120.500 -0.078 0.000 2.066 13 R HA -0.041 4.299 4.340 0.000 0.000 0.224 13 R C 2.165 178.443 176.300 -0.037 0.000 1.122 13 R CA 1.311 57.386 56.100 -0.042 0.000 0.974 13 R CB -0.690 29.598 30.300 -0.021 0.000 0.871 13 R HN 0.539 nan 8.270 nan 0.000 0.435 14 V N 0.212 120.102 119.914 -0.041 0.000 2.688 14 V HA -0.207 3.913 4.120 0.000 0.000 0.256 14 V C 1.846 177.922 176.094 -0.030 0.000 1.084 14 V CA 1.592 63.874 62.300 -0.030 0.000 1.103 14 V CB -0.464 31.340 31.823 -0.031 0.000 0.688 14 V HN 0.160 nan 8.190 nan 0.000 0.480 15 K N -0.166 120.202 120.400 -0.053 0.000 2.031 15 K HA 0.083 4.403 4.320 0.000 0.000 0.205 15 K C 2.250 178.856 176.600 0.011 0.000 1.049 15 K CA 1.751 58.020 56.287 -0.030 0.000 0.939 15 K CB -0.308 32.142 32.500 -0.084 0.000 0.717 15 K HN 0.492 nan 8.250 nan 0.000 0.438 16 M N 0.699 120.305 119.600 0.008 0.000 2.149 16 M HA -0.202 4.278 4.480 0.000 0.000 0.261 16 M C 2.256 178.566 176.300 0.017 0.000 1.064 16 M CA 1.163 56.479 55.300 0.026 0.000 1.102 16 M CB -0.341 32.272 32.600 0.020 0.000 1.369 16 M HN 0.068 nan 8.290 nan 0.000 0.408 17 L N 0.585 121.811 121.223 0.006 0.000 1.988 17 L HA -0.146 4.194 4.340 0.000 0.000 0.207 17 L C 2.355 179.229 176.870 0.007 0.000 1.071 17 L CA 1.899 56.742 54.840 0.005 0.000 0.744 17 L CB -0.650 41.409 42.059 -0.000 0.000 0.893 17 L HN 0.139 nan 8.230 nan 0.000 0.433 18 R N -0.513 119.990 120.500 0.006 0.000 2.185 18 R HA -0.165 4.175 4.340 0.000 0.000 0.247 18 R C 2.041 178.348 176.300 0.013 0.000 1.159 18 R CA 1.073 57.178 56.100 0.008 0.000 0.988 18 R CB -0.800 29.505 30.300 0.009 0.000 0.871 18 R HN 0.649 nan 8.270 nan 0.000 0.458 19 G N -0.034 108.777 108.800 0.019 0.000 2.425 19 G HA2 -0.193 3.767 3.960 0.000 0.000 0.213 19 G HA3 -0.193 3.767 3.960 0.000 0.000 0.213 19 G C 1.250 176.158 174.900 0.013 0.000 1.201 19 G CA 0.347 45.459 45.100 0.020 0.000 0.799 19 G HN 0.228 nan 8.290 nan 0.000 0.534 20 V N 1.349 121.270 119.914 0.012 0.000 2.828 20 V HA -0.164 3.956 4.120 0.000 0.000 0.260 20 V C 2.245 178.342 176.094 0.006 0.000 1.101 20 V CA 2.150 64.455 62.300 0.009 0.000 1.123 20 V CB -0.516 31.313 31.823 0.010 0.000 0.704 20 V HN 0.296 nan 8.190 nan 0.000 0.493 21 N N -0.129 118.575 118.700 0.006 0.000 2.173 21 N HA -0.063 4.676 4.740 0.000 0.000 0.184 21 N C 1.789 177.300 175.510 0.003 0.000 1.025 21 N CA 1.632 54.684 53.050 0.004 0.000 0.852 21 N CB -0.334 38.155 38.487 0.003 0.000 0.998 21 N HN 0.419 nan 8.380 nan 0.000 0.427 22 V N 2.296 122.212 119.914 0.003 0.000 2.317 22 V HA -0.232 3.888 4.120 0.000 0.000 0.251 22 V C 2.420 178.514 176.094 -0.001 0.000 1.065 22 V CA 1.311 63.612 62.300 0.001 0.000 1.049 22 V CB -0.609 31.215 31.823 0.003 0.000 0.651 22 V HN 0.196 nan 8.190 nan 0.000 0.450 23 L N 0.879 122.102 121.223 -0.000 0.000 1.925 23 L HA -0.083 4.257 4.340 0.000 0.000 0.215 23 L C 2.536 179.404 176.870 -0.003 0.000 1.082 23 L CA 2.575 57.413 54.840 -0.003 0.000 0.764 23 L CB -1.409 40.648 42.059 -0.003 0.000 0.887 23 L HN 0.208 nan 8.230 nan 0.000 0.432 24 A N -0.524 122.295 122.820 -0.001 0.000 1.896 24 A HA -0.335 3.985 4.320 0.000 0.000 0.220 24 A C 2.031 179.615 177.584 -0.001 0.000 1.206 24 A CA 2.401 54.438 52.037 -0.001 0.000 0.647 24 A CB -1.347 17.654 19.000 0.002 0.000 0.828 24 A HN 0.712 nan 8.150 nan 0.000 0.455 25 D N -0.334 120.066 120.400 -0.001 0.000 2.182 25 D HA -0.089 4.551 4.640 0.000 0.000 0.201 25 D C 2.167 178.465 176.300 -0.003 0.000 0.986 25 D CA 1.552 55.551 54.000 -0.001 0.000 0.847 25 D CB -0.336 40.463 40.800 -0.001 0.000 0.942 25 D HN 0.512 nan 8.370 nan 0.000 0.467 26 A N 0.541 123.359 122.820 -0.004 0.000 1.874 26 A HA -0.061 4.259 4.320 0.000 0.000 0.214 26 A C 2.377 179.958 177.584 -0.006 0.000 1.189 26 A CA 0.817 52.851 52.037 -0.005 0.000 0.615 26 A CB -0.738 18.258 19.000 -0.006 0.000 0.830 26 A HN 0.161 nan 8.150 nan 0.000 0.443 27 V N 1.309 121.220 119.914 -0.006 0.000 2.626 27 V HA -0.201 3.919 4.120 0.000 0.000 0.252 27 V C 2.418 178.508 176.094 -0.006 0.000 1.067 27 V CA 2.490 64.786 62.300 -0.007 0.000 1.081 27 V CB -0.595 31.223 31.823 -0.009 0.000 0.686 27 V HN 0.811 nan 8.190 nan 0.000 0.468 28 K N 0.402 120.800 120.400 -0.004 0.000 2.366 28 K HA -0.024 4.296 4.320 0.000 0.000 0.198 28 K C 1.726 178.324 176.600 -0.003 0.000 1.044 28 K CA 1.502 57.788 56.287 -0.003 0.000 0.973 28 K CB -0.476 32.023 32.500 -0.001 0.000 0.767 28 K HN 0.480 nan 8.250 nan 0.000 0.475 29 V N 0.113 120.025 119.914 -0.003 0.000 3.078 29 V HA -0.166 3.954 4.120 0.000 0.000 0.265 29 V C 2.254 178.346 176.094 -0.003 0.000 1.122 29 V CA 1.841 64.139 62.300 -0.003 0.000 1.141 29 V CB -0.914 30.907 31.823 -0.003 0.000 0.735 29 V HN 0.591 nan 8.190 nan 0.000 0.498 30 T N -1.198 113.354 114.554 -0.004 0.000 2.939 30 T HA 0.127 4.477 4.350 0.000 0.000 0.254 30 T C 1.018 175.715 174.700 -0.005 0.000 1.041 30 T CA 0.519 62.616 62.100 -0.005 0.000 1.142 30 T CB -0.450 68.414 68.868 -0.007 0.000 0.874 30 T HN 0.534 nan 8.240 nan 0.000 0.452 31 L N 2.356 123.576 121.223 -0.004 0.000 2.593 31 L HA 0.413 4.753 4.340 0.000 0.000 0.287 31 L C 0.476 177.345 176.870 -0.002 0.000 1.243 31 L CA 1.362 56.200 54.840 -0.004 0.000 0.890 31 L CB -0.538 41.520 42.059 -0.002 0.000 1.134 31 L HN 0.848 nan 8.230 nan 0.000 0.502 32 G N 3.974 112.772 108.800 -0.004 0.000 3.067 32 G HA2 -0.115 3.845 3.960 0.000 0.000 0.686 32 G HA3 -0.115 3.845 3.960 0.000 0.000 0.686 32 G C -1.737 173.159 174.900 -0.008 0.000 1.119 32 G CA -0.352 44.746 45.100 -0.003 0.000 0.790 32 G HN 0.594 nan 8.290 nan 0.000 0.605 33 P HA -0.164 nan 4.420 nan 0.000 0.219 33 P C 1.192 178.484 177.300 -0.015 0.000 1.145 33 P CA 1.227 64.316 63.100 -0.019 0.000 0.813 33 P CB 0.238 31.918 31.700 -0.033 0.000 0.771 34 K N -0.333 120.062 120.400 -0.009 0.000 2.358 34 K HA 0.189 4.509 4.320 0.000 0.000 0.197 34 K C 1.209 177.807 176.600 -0.003 0.000 1.025 34 K CA -0.121 56.163 56.287 -0.005 0.000 1.104 34 K CB -0.350 32.150 32.500 0.000 0.000 0.855 34 K HN 0.083 nan 8.250 nan 0.000 0.531 35 G N 2.306 111.104 108.800 -0.004 0.000 2.669 35 G HA2 -0.142 3.818 3.960 0.000 0.000 0.227 35 G HA3 -0.142 3.818 3.960 0.000 0.000 0.227 35 G C 0.115 175.013 174.900 -0.004 0.000 1.210 35 G CA -0.111 44.987 45.100 -0.003 0.000 0.855 35 G HN 0.107 nan 8.290 nan 0.000 0.551 36 R N 0.962 121.460 120.500 -0.003 0.000 2.553 36 R HA 0.274 4.614 4.340 0.000 0.000 0.263 36 R C 0.223 176.520 176.300 -0.004 0.000 1.066 36 R CA -0.922 55.176 56.100 -0.003 0.000 1.135 36 R CB 0.238 30.536 30.300 -0.003 0.000 1.148 36 R HN 0.667 nan 8.270 nan 0.000 0.558 37 N N -1.016 117.681 118.700 -0.004 0.000 2.495 37 N HA 0.408 5.148 4.740 0.000 0.000 0.280 37 N C -1.023 174.484 175.510 -0.006 0.000 1.168 37 N CA -0.512 52.535 53.050 -0.005 0.000 0.978 37 N CB 1.235 39.719 38.487 -0.005 0.000 1.191 37 N HN 0.097 nan 8.380 nan 0.000 0.497 38 V N 1.305 121.215 119.914 -0.006 0.000 2.482 38 V HA 0.277 4.397 4.120 0.000 0.000 0.295 38 V C -0.478 175.611 176.094 -0.008 0.000 1.026 38 V CA -0.893 61.403 62.300 -0.007 0.000 0.856 38 V CB 1.601 33.420 31.823 -0.008 0.000 1.001 38 V HN 0.340 nan 8.190 nan 0.000 0.424 39 V N 6.420 126.329 119.914 -0.008 0.000 2.461 39 V HA 0.382 4.502 4.120 0.000 0.000 0.275 39 V C -0.024 176.064 176.094 -0.010 0.000 1.047 39 V CA -0.214 62.081 62.300 -0.009 0.000 0.955 39 V CB 1.197 33.015 31.823 -0.009 0.000 0.988 39 V HN 0.647 nan 8.190 nan 0.000 0.471 40 L N 4.067 125.285 121.223 -0.010 0.000 2.318 40 L HA 0.445 4.785 4.340 0.000 0.000 0.277 40 L C -0.105 176.758 176.870 -0.012 0.000 1.008 40 L CA -0.599 54.234 54.840 -0.011 0.000 0.846 40 L CB 1.437 43.490 42.059 -0.010 0.000 1.220 40 L HN 0.572 nan 8.230 nan 0.000 0.423 41 D N 3.379 123.769 120.400 -0.016 0.000 2.443 41 D HA 0.019 4.659 4.640 0.000 0.000 0.239 41 D C -0.171 176.119 176.300 -0.017 0.000 1.136 41 D CA 0.515 54.502 54.000 -0.021 0.000 0.879 41 D CB 0.866 41.647 40.800 -0.032 0.000 1.195 41 D HN 0.376 nan 8.370 nan 0.000 0.443 42 K N 2.641 123.033 120.400 -0.013 0.000 2.621 42 K HA 0.213 4.533 4.320 0.000 0.000 0.233 42 K C 0.881 177.484 176.600 0.006 0.000 0.972 42 K CA -0.178 56.110 56.287 0.001 0.000 0.988 42 K CB 0.432 32.940 32.500 0.013 0.000 1.187 42 K HN 0.683 nan 8.250 nan 0.000 0.471 43 S N 3.125 118.822 115.700 -0.005 0.000 2.210 43 S HA -0.326 4.144 4.470 0.000 0.000 0.532 43 S C 0.375 174.941 174.600 -0.057 0.000 0.925 43 S CA 1.354 59.546 58.200 -0.013 0.000 3.340 43 S CB -1.066 62.173 63.200 0.066 0.000 2.327 43 S HN 0.508 nan 8.310 nan 0.000 0.565 44 F N 3.323 123.270 119.950 -0.004 0.000 2.449 44 F HA 0.694 5.221 4.527 -0.000 0.000 0.342 44 F C 1.011 176.809 175.800 -0.004 0.000 1.127 44 F CA 0.707 58.705 58.000 -0.004 0.000 0.975 44 F CB 1.585 40.583 39.000 -0.003 0.000 1.146 44 F HN 1.020 nan 8.300 nan 0.000 0.444 45 G N 1.804 110.737 108.800 0.223 0.000 2.278 45 G HA2 0.439 4.399 3.960 0.000 0.000 0.265 45 G HA3 0.439 4.399 3.960 0.000 0.000 0.265 45 G C -1.935 173.006 174.900 0.068 0.000 1.329 45 G CA -0.407 44.771 45.100 0.129 0.000 1.017 45 G HN 0.902 nan 8.290 nan 0.000 0.472 46 A N 0.520 123.367 122.820 0.045 0.000 2.305 46 A HA 0.882 5.202 4.320 0.000 0.000 0.322 46 A C -1.779 175.814 177.584 0.014 0.000 1.187 46 A CA -0.992 51.060 52.037 0.024 0.000 0.825 46 A CB 0.314 19.326 19.000 0.021 0.000 1.164 46 A HN 0.607 nan 8.150 nan 0.000 0.498 47 P HA 0.112 nan 4.420 nan 0.000 0.270 47 P C -0.235 177.066 177.300 0.001 0.000 1.216 47 P CA 0.433 63.532 63.100 -0.001 0.000 0.788 47 P CB 0.316 32.013 31.700 -0.006 0.000 0.883 48 T N 1.653 116.207 114.554 -0.001 0.000 2.779 48 T HA 0.537 4.887 4.350 0.000 0.000 0.280 48 T C 0.077 174.775 174.700 -0.003 0.000 0.987 48 T CA -0.323 61.776 62.100 -0.001 0.000 0.966 48 T CB 0.239 69.106 68.868 -0.001 0.000 0.933 48 T HN 0.163 nan 8.240 nan 0.000 0.442 49 I N 2.854 123.422 120.570 -0.003 0.000 2.330 49 I HA 0.453 4.623 4.170 0.000 0.000 0.289 49 I C 0.407 176.521 176.117 -0.004 0.000 1.001 49 I CA -0.426 60.871 61.300 -0.004 0.000 1.193 49 I CB 1.621 39.619 38.000 -0.003 0.000 1.345 49 I HN 0.496 nan 8.210 nan 0.000 0.461 50 T N 4.753 119.303 114.554 -0.006 0.000 2.906 50 T HA 0.409 4.759 4.350 0.000 0.000 0.295 50 T C 0.109 174.805 174.700 -0.007 0.000 1.075 50 T CA -0.522 61.574 62.100 -0.006 0.000 1.005 50 T CB 1.765 70.628 68.868 -0.007 0.000 1.136 50 T HN 0.622 nan 8.240 nan 0.000 0.498 51 K N 1.380 121.776 120.400 -0.007 0.000 2.469 51 K HA 0.187 4.507 4.320 0.000 0.000 0.204 51 K C -0.766 175.828 176.600 -0.009 0.000 1.047 51 K CA -0.170 56.113 56.287 -0.008 0.000 1.072 51 K CB 0.543 33.039 32.500 -0.007 0.000 0.863 51 K HN 0.464 nan 8.250 nan 0.000 0.530 52 D N 0.044 120.438 120.400 -0.010 0.000 2.411 52 D HA 0.114 4.754 4.640 0.000 0.000 0.225 52 D C 1.236 177.528 176.300 -0.014 0.000 1.156 52 D CA -0.108 53.884 54.000 -0.012 0.000 0.874 52 D CB 1.161 41.953 40.800 -0.013 0.000 1.034 52 D HN 0.209 nan 8.370 nan 0.000 0.502 53 G N 2.379 111.171 108.800 -0.013 0.000 2.479 53 G HA2 -0.226 3.734 3.960 0.000 0.000 0.220 53 G HA3 -0.226 3.734 3.960 0.000 0.000 0.220 53 G C 1.423 176.312 174.900 -0.018 0.000 1.115 53 G CA 0.885 45.976 45.100 -0.014 0.000 0.757 53 G HN 0.490 nan 8.290 nan 0.000 0.560 54 V N 0.792 120.693 119.914 -0.021 0.000 2.427 54 V HA -0.143 3.977 4.120 0.000 0.000 0.248 54 V C 2.926 179.005 176.094 -0.025 0.000 1.051 54 V CA 2.091 64.376 62.300 -0.026 0.000 1.048 54 V CB -0.499 31.305 31.823 -0.031 0.000 0.666 54 V HN 0.334 nan 8.190 nan 0.000 0.456 55 S N -0.035 115.652 115.700 -0.021 0.000 2.395 55 S HA -0.080 4.390 4.470 0.000 0.000 0.225 55 S C 2.046 176.635 174.600 -0.018 0.000 1.027 55 S CA 1.089 59.277 58.200 -0.019 0.000 0.965 55 S CB -0.032 63.159 63.200 -0.016 0.000 0.812 55 S HN 0.361 nan 8.310 nan 0.000 0.482 56 V N 2.089 121.993 119.914 -0.016 0.000 2.490 56 V HA -0.197 3.923 4.120 0.000 0.000 0.250 56 V C 2.560 178.644 176.094 -0.016 0.000 1.061 56 V CA 1.707 63.998 62.300 -0.015 0.000 1.064 56 V CB -1.028 30.788 31.823 -0.012 0.000 0.670 56 V HN 0.540 nan 8.190 nan 0.000 0.461 57 A N -0.247 122.561 122.820 -0.019 0.000 1.897 57 A HA -0.184 4.136 4.320 0.000 0.000 0.215 57 A C 2.382 179.952 177.584 -0.023 0.000 1.181 57 A CA 1.533 53.558 52.037 -0.020 0.000 0.620 57 A CB -0.545 18.441 19.000 -0.023 0.000 0.821 57 A HN 0.451 nan 8.150 nan 0.000 0.443 58 R N -0.314 120.171 120.500 -0.026 0.000 2.139 58 R HA -0.174 4.166 4.340 0.000 0.000 0.243 58 R C 1.448 177.732 176.300 -0.026 0.000 1.145 58 R CA 1.731 57.814 56.100 -0.029 0.000 0.976 58 R CB -0.086 30.197 30.300 -0.030 0.000 0.866 58 R HN 0.469 nan 8.270 nan 0.000 0.449 59 E N 0.149 120.336 120.200 -0.021 0.000 2.250 59 E HA -0.000 4.350 4.350 0.000 0.000 0.192 59 E C 0.556 177.146 176.600 -0.017 0.000 0.986 59 E CA 0.065 56.453 56.400 -0.019 0.000 0.849 59 E CB 0.141 29.831 29.700 -0.016 0.000 0.797 59 E HN 0.224 nan 8.360 nan 0.000 0.482 60 I N 1.865 122.426 120.570 -0.016 0.000 2.752 60 I HA -0.001 4.169 4.170 0.000 0.000 0.287 60 I C 0.540 176.649 176.117 -0.014 0.000 1.188 60 I CA 0.670 61.962 61.300 -0.014 0.000 1.427 60 I CB 0.021 38.014 38.000 -0.012 0.000 1.365 60 I HN 0.058 nan 8.210 nan 0.000 0.585 61 E N 6.315 126.507 120.200 -0.012 0.000 2.782 61 E HA 0.228 4.578 4.350 0.000 0.000 0.372 61 E C -1.617 174.977 176.600 -0.010 0.000 0.944 61 E CA -0.389 56.003 56.400 -0.013 0.000 0.749 61 E CB 0.696 30.386 29.700 -0.016 0.000 1.453 61 E HN 0.444 nan 8.360 nan 0.000 0.402 62 L N 2.743 123.963 121.223 -0.006 0.000 2.466 62 L HA 0.277 4.617 4.340 0.000 0.000 0.257 62 L C 1.794 178.661 176.870 -0.005 0.000 1.189 62 L CA -0.032 54.807 54.840 -0.002 0.000 0.813 62 L CB 0.525 42.588 42.059 0.007 0.000 1.118 62 L HN 0.687 nan 8.230 nan 0.000 0.471 63 E N 0.381 120.580 120.200 -0.001 0.000 2.051 63 E HA -0.165 4.185 4.350 0.000 0.000 0.189 63 E C 0.583 177.182 176.600 -0.002 0.000 0.979 63 E CA 0.293 56.690 56.400 -0.004 0.000 0.803 63 E CB 0.203 29.902 29.700 -0.001 0.000 0.761 63 E HN 0.660 nan 8.360 nan 0.000 0.451 64 D N 1.086 121.496 120.400 0.016 0.000 2.389 64 D HA -0.081 4.559 4.640 0.000 0.000 0.263 64 D C 0.683 176.990 176.300 0.012 0.000 1.255 64 D CA 0.033 54.055 54.000 0.037 0.000 0.914 64 D CB 0.748 41.597 40.800 0.081 0.000 1.116 64 D HN 0.100 nan 8.370 nan 0.000 0.502 65 K N 3.722 124.085 120.400 -0.062 0.000 2.163 65 K HA -0.228 4.092 4.320 0.000 0.000 0.210 65 K C 1.777 178.257 176.600 -0.200 0.000 1.048 65 K CA 1.350 57.531 56.287 -0.178 0.000 0.928 65 K CB -0.493 31.812 32.500 -0.324 0.000 0.716 65 K HN 0.460 nan 8.250 nan 0.000 0.459 66 F N 1.560 121.497 119.950 -0.022 0.000 2.074 66 F HA -0.025 4.502 4.527 0.000 0.000 0.290 66 F C 2.583 178.370 175.800 -0.021 0.000 1.118 66 F CA 0.985 58.969 58.000 -0.026 0.000 1.199 66 F CB -0.732 38.251 39.000 -0.028 0.000 1.012 66 F HN 0.044 nan 8.300 nan 0.000 0.472 67 E N 0.122 120.440 120.200 0.196 0.000 2.114 67 E HA -0.330 4.020 4.350 0.000 0.000 0.199 67 E C 1.861 178.496 176.600 0.059 0.000 1.008 67 E CA 1.660 58.118 56.400 0.097 0.000 0.810 67 E CB -0.436 29.304 29.700 0.067 0.000 0.739 67 E HN 0.326 nan 8.360 nan 0.000 0.456 68 N N 0.592 119.316 118.700 0.040 0.000 2.043 68 N HA -0.193 4.547 4.740 0.000 0.000 0.193 68 N C 1.780 177.297 175.510 0.011 0.000 1.037 68 N CA 1.664 54.721 53.050 0.011 0.000 0.851 68 N CB -0.085 38.394 38.487 -0.012 0.000 1.027 68 N HN 0.070 nan 8.380 nan 0.000 0.422 69 M N -0.554 119.055 119.600 0.014 0.000 2.108 69 M HA -0.131 4.349 4.480 0.000 0.000 0.257 69 M C 2.217 178.532 176.300 0.026 0.000 1.071 69 M CA 1.936 57.245 55.300 0.015 0.000 1.093 69 M CB -0.794 31.824 32.600 0.030 0.000 1.345 69 M HN 0.382 nan 8.290 nan 0.000 0.403 70 G N -0.353 108.473 108.800 0.042 0.000 2.418 70 G HA2 -0.113 3.847 3.960 0.000 0.000 0.217 70 G HA3 -0.113 3.847 3.960 0.000 0.000 0.217 70 G C 1.562 176.473 174.900 0.018 0.000 1.158 70 G CA 0.952 46.072 45.100 0.032 0.000 0.771 70 G HN 0.576 nan 8.290 nan 0.000 0.545 71 A N -0.641 122.188 122.820 0.015 0.000 2.119 71 A HA 0.134 4.454 4.320 0.000 0.000 0.216 71 A C 2.282 179.866 177.584 -0.001 0.000 1.152 71 A CA 1.140 53.181 52.037 0.006 0.000 0.708 71 A CB -0.083 18.920 19.000 0.004 0.000 0.805 71 A HN 0.295 nan 8.150 nan 0.000 0.460 72 Q N -0.903 118.896 119.800 -0.001 0.000 2.331 72 Q HA 0.105 4.445 4.340 0.000 0.000 0.203 72 Q C 1.908 177.903 176.000 -0.008 0.000 0.944 72 Q CA 0.809 56.607 55.803 -0.008 0.000 0.892 72 Q CB -0.145 28.586 28.738 -0.011 0.000 0.983 72 Q HN 0.757 nan 8.270 nan 0.000 0.482 73 M N -0.146 119.454 119.600 -0.001 0.000 2.134 73 M HA -0.100 4.380 4.480 0.000 0.000 0.262 73 M C 2.169 178.468 176.300 -0.002 0.000 1.076 73 M CA 1.158 56.458 55.300 0.001 0.000 1.143 73 M CB -0.291 32.316 32.600 0.010 0.000 1.346 73 M HN 0.088 nan 8.290 nan 0.000 0.421 74 V N -0.739 119.176 119.914 0.002 0.000 3.078 74 V HA -0.176 3.944 4.120 0.000 0.000 0.265 74 V C 1.805 177.891 176.094 -0.013 0.000 1.122 74 V CA 1.765 64.066 62.300 0.001 0.000 1.141 74 V CB -0.791 31.036 31.823 0.007 0.000 0.735 74 V HN 0.458 nan 8.190 nan 0.000 0.498 75 K N 0.104 120.493 120.400 -0.019 0.000 2.211 75 K HA -0.038 4.282 4.320 0.000 0.000 0.201 75 K C 2.221 178.793 176.600 -0.046 0.000 1.052 75 K CA 0.967 57.236 56.287 -0.030 0.000 0.973 75 K CB -0.099 32.386 32.500 -0.025 0.000 0.766 75 K HN 0.699 nan 8.250 nan 0.000 0.466 76 E N 0.711 120.886 120.200 -0.042 0.000 2.031 76 E HA -0.176 4.174 4.350 0.000 0.000 0.193 76 E C 1.961 178.504 176.600 -0.095 0.000 0.994 76 E CA 1.809 58.176 56.400 -0.055 0.000 0.800 76 E CB -0.042 29.636 29.700 -0.036 0.000 0.752 76 E HN 0.203 nan 8.360 nan 0.000 0.447 77 V N -0.171 119.691 119.914 -0.086 0.000 2.244 77 V HA -0.102 4.018 4.120 0.000 0.000 0.244 77 V C 2.466 178.422 176.094 -0.230 0.000 1.042 77 V CA 2.057 64.266 62.300 -0.151 0.000 1.006 77 V CB -1.301 30.509 31.823 -0.022 0.000 0.641 77 V HN 0.320 nan 8.190 nan 0.000 0.446 78 A N 0.176 122.929 122.820 -0.112 0.000 2.093 78 A HA -0.248 4.072 4.320 0.000 0.000 0.222 78 A C 2.554 180.053 177.584 -0.142 0.000 1.162 78 A CA 2.597 54.577 52.037 -0.094 0.000 0.655 78 A CB -1.072 17.903 19.000 -0.041 0.000 0.805 78 A HN 0.835 nan 8.150 nan 0.000 0.461 79 S N -0.271 115.333 115.700 -0.160 0.000 2.345 79 S HA -0.155 4.315 4.470 0.000 0.000 0.219 79 S C 1.913 176.381 174.600 -0.221 0.000 1.031 79 S CA 1.448 59.559 58.200 -0.149 0.000 0.984 79 S CB -0.341 62.790 63.200 -0.115 0.000 0.874 79 S HN 0.623 nan 8.310 nan 0.000 0.451 80 K N 1.104 121.293 120.400 -0.351 0.000 2.293 80 K HA -0.131 4.189 4.320 0.000 0.000 0.204 80 K C 2.161 178.474 176.600 -0.479 0.000 1.045 80 K CA 1.137 57.133 56.287 -0.485 0.000 0.933 80 K CB -0.376 31.629 32.500 -0.824 0.000 0.736 80 K HN 0.492 nan 8.250 nan 0.000 0.463 81 A N 1.605 124.183 122.820 -0.403 0.000 1.854 81 A HA -0.166 4.154 4.320 0.000 0.000 0.214 81 A C 1.933 179.489 177.584 -0.047 0.000 1.192 81 A CA 1.557 53.542 52.037 -0.087 0.000 0.611 81 A CB -0.563 18.446 19.000 0.016 0.000 0.832 81 A HN 0.270 nan 8.150 nan 0.000 0.442 82 N N 0.238 118.888 118.700 -0.082 0.000 2.272 82 N HA -0.133 4.607 4.740 0.000 0.000 0.185 82 N C 0.796 176.252 175.510 -0.091 0.000 1.014 82 N CA 1.527 54.531 53.050 -0.077 0.000 0.870 82 N CB -0.121 38.317 38.487 -0.082 0.000 0.975 82 N HN 0.424 nan 8.380 nan 0.000 0.433 83 D N -1.187 119.160 120.400 -0.088 0.000 2.348 83 D HA 0.098 4.738 4.640 0.000 0.000 0.211 83 D C 1.367 177.650 176.300 -0.028 0.000 0.998 83 D CA 0.402 54.359 54.000 -0.072 0.000 0.873 83 D CB 0.145 40.900 40.800 -0.075 0.000 0.925 83 D HN 0.364 nan 8.370 nan 0.000 0.524 84 A N 0.557 123.380 122.820 0.005 0.000 1.911 84 A HA 0.356 4.676 4.320 0.000 0.000 0.212 84 A C 1.920 179.537 177.584 0.055 0.000 1.189 84 A CA 1.184 53.258 52.037 0.061 0.000 0.639 84 A CB 0.214 19.302 19.000 0.146 0.000 0.839 84 A HN 0.166 nan 8.150 nan 0.000 0.449 85 A N -2.395 120.447 122.820 0.036 0.000 2.551 85 A HA 0.479 4.799 4.320 0.000 0.000 0.252 85 A C 1.400 178.985 177.584 0.001 0.000 1.199 85 A CA 0.974 53.035 52.037 0.040 0.000 0.972 85 A CB -0.246 18.781 19.000 0.045 0.000 1.153 85 A HN 1.865 nan 8.150 nan 0.000 0.559 86 G N -0.466 108.289 108.800 -0.076 0.000 2.160 86 G HA2 -0.109 3.851 3.960 0.000 0.000 0.244 86 G HA3 -0.109 3.851 3.960 0.000 0.000 0.244 86 G C -0.277 174.565 174.900 -0.097 0.000 1.022 86 G CA 0.769 45.761 45.100 -0.180 0.000 0.741 86 G HN 0.980 nan 8.290 nan 0.000 0.508 87 D N -3.291 117.078 120.400 -0.053 0.000 2.993 87 D HA 0.547 5.187 4.640 0.000 0.000 0.284 87 D C 0.700 176.994 176.300 -0.011 0.000 1.172 87 D CA 1.139 55.121 54.000 -0.031 0.000 0.729 87 D CB -0.281 40.509 40.800 -0.016 0.000 1.270 87 D HN 1.509 nan 8.370 nan 0.000 0.436 88 G N -0.237 108.560 108.800 -0.006 0.000 2.131 88 G HA2 -0.225 3.735 3.960 0.000 0.000 0.201 88 G HA3 -0.225 3.735 3.960 0.000 0.000 0.201 88 G C 0.802 175.705 174.900 0.005 0.000 1.000 88 G CA 0.703 45.808 45.100 0.009 0.000 0.680 88 G HN 0.496 nan 8.290 nan 0.000 0.514 89 T N 0.499 115.045 114.554 -0.013 0.000 2.706 89 T HA -0.024 4.326 4.350 0.000 0.000 0.255 89 T C 2.565 177.258 174.700 -0.012 0.000 1.048 89 T CA 2.085 64.172 62.100 -0.022 0.000 1.153 89 T CB -0.477 68.370 68.868 -0.036 0.000 0.865 89 T HN 0.342 nan 8.240 nan 0.000 0.414 90 T N 2.271 116.818 114.554 -0.011 0.000 2.778 90 T HA -0.140 4.210 4.350 0.000 0.000 0.269 90 T C 2.130 176.831 174.700 0.001 0.000 1.050 90 T CA 1.714 63.810 62.100 -0.007 0.000 1.137 90 T CB -0.682 68.182 68.868 -0.007 0.000 0.860 90 T HN 0.432 nan 8.240 nan 0.000 0.468 91 T N 1.903 116.460 114.554 0.005 0.000 2.732 91 T HA 0.074 4.424 4.350 0.000 0.000 0.261 91 T C 2.501 177.212 174.700 0.019 0.000 1.040 91 T CA 0.998 63.105 62.100 0.012 0.000 1.145 91 T CB -0.628 68.249 68.868 0.016 0.000 0.866 91 T HN 0.433 nan 8.240 nan 0.000 0.427 92 A N 1.600 124.436 122.820 0.027 0.000 1.940 92 A HA -0.160 4.160 4.320 0.000 0.000 0.219 92 A C 2.513 180.114 177.584 0.028 0.000 1.176 92 A CA 2.180 54.242 52.037 0.041 0.000 0.631 92 A CB -1.341 17.693 19.000 0.055 0.000 0.814 92 A HN 0.508 nan 8.150 nan 0.000 0.446 93 T N -0.845 113.717 114.554 0.013 0.000 2.668 93 T HA -0.135 4.215 4.350 0.000 0.000 0.262 93 T C 1.847 176.553 174.700 0.010 0.000 1.045 93 T CA 1.469 63.573 62.100 0.008 0.000 1.152 93 T CB -0.782 68.085 68.868 -0.001 0.000 0.864 93 T HN 0.240 nan 8.240 nan 0.000 0.419 94 V N 1.197 121.115 119.914 0.008 0.000 2.688 94 V HA -0.068 4.052 4.120 0.000 0.000 0.256 94 V C 2.119 178.220 176.094 0.011 0.000 1.084 94 V CA 1.363 63.668 62.300 0.008 0.000 1.103 94 V CB -0.618 31.208 31.823 0.006 0.000 0.688 94 V HN 0.455 nan 8.190 nan 0.000 0.480 95 L N -0.462 120.770 121.223 0.015 0.000 2.095 95 L HA 0.003 4.343 4.340 0.000 0.000 0.204 95 L C 2.731 179.612 176.870 0.019 0.000 1.080 95 L CA 1.439 56.290 54.840 0.018 0.000 0.759 95 L CB -0.699 41.375 42.059 0.025 0.000 0.914 95 L HN 0.423 nan 8.230 nan 0.000 0.439 96 A N -0.568 122.265 122.820 0.022 0.000 1.902 96 A HA -0.284 4.036 4.320 0.000 0.000 0.217 96 A C 2.199 179.792 177.584 0.015 0.000 1.181 96 A CA 1.756 53.806 52.037 0.021 0.000 0.623 96 A CB -0.599 18.416 19.000 0.024 0.000 0.818 96 A HN 0.492 nan 8.150 nan 0.000 0.443 97 Q N -0.382 119.426 119.800 0.012 0.000 2.112 97 Q HA -0.197 4.143 4.340 0.000 0.000 0.206 97 Q C 2.173 178.178 176.000 0.008 0.000 0.987 97 Q CA 1.912 57.720 55.803 0.009 0.000 0.858 97 Q CB -0.365 28.376 28.738 0.006 0.000 0.905 97 Q HN 0.602 nan 8.270 nan 0.000 0.420 98 A N 0.891 123.716 122.820 0.008 0.000 1.858 98 A HA -0.170 4.150 4.320 0.000 0.000 0.216 98 A C 2.023 179.612 177.584 0.008 0.000 1.190 98 A CA 1.483 53.524 52.037 0.007 0.000 0.617 98 A CB -0.722 18.282 19.000 0.008 0.000 0.827 98 A HN 0.489 nan 8.150 nan 0.000 0.443 99 I N -0.228 120.349 120.570 0.010 0.000 2.099 99 I HA -0.282 3.888 4.170 0.000 0.000 0.239 99 I C 2.389 178.512 176.117 0.009 0.000 1.066 99 I CA 1.587 62.893 61.300 0.010 0.000 1.324 99 I CB -0.505 37.502 38.000 0.013 0.000 1.037 99 I HN 0.306 nan 8.210 nan 0.000 0.401 100 I N 0.469 121.045 120.570 0.010 0.000 2.194 100 I HA -0.325 3.845 4.170 0.000 0.000 0.246 100 I C 2.610 178.730 176.117 0.006 0.000 1.093 100 I CA 1.703 63.008 61.300 0.009 0.000 1.355 100 I CB -0.741 37.264 38.000 0.010 0.000 1.046 100 I HN 0.309 nan 8.210 nan 0.000 0.413 101 T N 0.317 114.874 114.554 0.006 0.000 2.595 101 T HA -0.184 4.166 4.350 0.000 0.000 0.264 101 T C 1.817 176.519 174.700 0.003 0.000 1.058 101 T CA 1.443 63.545 62.100 0.004 0.000 1.166 101 T CB -0.223 68.647 68.868 0.003 0.000 0.863 101 T HN 0.290 nan 8.240 nan 0.000 0.415 102 E N 0.640 120.842 120.200 0.004 0.000 2.153 102 E HA -0.030 4.320 4.350 0.000 0.000 0.194 102 E C 2.451 179.053 176.600 0.004 0.000 0.988 102 E CA 0.964 57.366 56.400 0.003 0.000 0.811 102 E CB -0.886 28.816 29.700 0.004 0.000 0.746 102 E HN 0.585 nan 8.360 nan 0.000 0.466 103 G N 1.397 110.199 108.800 0.005 0.000 2.433 103 G HA2 -0.230 3.730 3.960 0.000 0.000 0.216 103 G HA3 -0.230 3.730 3.960 0.000 0.000 0.216 103 G C 1.713 176.616 174.900 0.004 0.000 1.186 103 G CA 0.635 45.738 45.100 0.005 0.000 0.779 103 G HN 0.213 nan 8.290 nan 0.000 0.543 104 L N -0.107 121.118 121.223 0.004 0.000 2.131 104 L HA -0.035 4.305 4.340 0.000 0.000 0.210 104 L C 2.945 179.816 176.870 0.001 0.000 1.092 104 L CA 1.060 55.902 54.840 0.002 0.000 0.759 104 L CB -0.317 41.742 42.059 0.001 0.000 0.903 104 L HN 0.200 nan 8.230 nan 0.000 0.435 105 K N 0.306 120.707 120.400 0.001 0.000 2.002 105 K HA -0.154 4.166 4.320 0.000 0.000 0.209 105 K C 2.310 178.911 176.600 0.001 0.000 1.048 105 K CA 1.418 57.706 56.287 0.001 0.000 0.930 105 K CB -0.305 32.196 32.500 0.001 0.000 0.714 105 K HN 0.263 nan 8.250 nan 0.000 0.438 106 A N 1.100 123.921 122.820 0.002 0.000 1.917 106 A HA -0.177 4.143 4.320 0.000 0.000 0.219 106 A C 2.384 179.969 177.584 0.002 0.000 1.182 106 A CA 1.861 53.900 52.037 0.002 0.000 0.633 106 A CB -0.845 18.157 19.000 0.003 0.000 0.819 106 A HN 0.094 nan 8.150 nan 0.000 0.448 107 V N -0.263 119.652 119.914 0.003 0.000 2.237 107 V HA -0.237 3.883 4.120 0.000 0.000 0.245 107 V C 3.064 179.160 176.094 0.003 0.000 1.046 107 V CA 2.035 64.338 62.300 0.004 0.000 1.007 107 V CB -1.449 30.377 31.823 0.005 0.000 0.638 107 V HN 0.624 nan 8.190 nan 0.000 0.445 108 A N 0.185 123.006 122.820 0.001 0.000 1.978 108 A HA -0.121 4.199 4.320 0.000 0.000 0.220 108 A C 2.254 179.838 177.584 0.000 0.000 1.170 108 A CA 1.941 53.978 52.037 0.000 0.000 0.636 108 A CB -0.780 18.219 19.000 -0.001 0.000 0.810 108 A HN 0.655 nan 8.150 nan 0.000 0.448 109 A N -1.992 120.829 122.820 0.000 0.000 2.248 109 A HA 0.354 4.674 4.320 0.000 0.000 0.210 109 A C 1.900 179.484 177.584 0.000 0.000 1.174 109 A CA 1.408 53.445 52.037 0.000 0.000 0.750 109 A CB -0.983 18.018 19.000 0.000 0.000 0.780 109 A HN 1.898 nan 8.150 nan 0.000 0.478 110 G N -2.193 106.607 108.800 0.001 0.000 2.232 110 G HA2 -0.241 3.719 3.960 0.000 0.000 0.226 110 G HA3 -0.241 3.719 3.960 0.000 0.000 0.226 110 G C 0.334 175.235 174.900 0.002 0.000 0.996 110 G CA 0.141 45.242 45.100 0.001 0.000 0.626 110 G HN 0.382 nan 8.290 nan 0.000 0.509 111 M N 1.008 120.610 119.600 0.002 0.000 2.207 111 M HA 0.205 4.685 4.480 0.000 0.000 0.311 111 M C 0.862 177.165 176.300 0.004 0.000 1.127 111 M CA -0.232 55.070 55.300 0.003 0.000 1.181 111 M CB 0.201 32.803 32.600 0.003 0.000 1.409 111 M HN 0.288 nan 8.290 nan 0.000 0.461 112 N N 1.647 120.349 118.700 0.004 0.000 2.497 112 N HA 0.120 4.860 4.740 0.000 0.000 0.271 112 N C -2.305 173.209 175.510 0.006 0.000 1.142 112 N CA -1.298 51.755 53.050 0.005 0.000 0.965 112 N CB 1.343 39.833 38.487 0.005 0.000 1.077 112 N HN 0.233 nan 8.380 nan 0.000 0.462 113 P HA -0.010 nan 4.420 nan 0.000 0.212 113 P C 1.735 179.040 177.300 0.008 0.000 1.180 113 P CA 1.037 64.142 63.100 0.009 0.000 0.902 113 P CB 0.149 31.856 31.700 0.011 0.000 0.778 114 M N -0.334 119.272 119.600 0.009 0.000 2.413 114 M HA -0.189 4.291 4.480 0.000 0.000 0.258 114 M C 1.110 177.414 176.300 0.006 0.000 1.081 114 M CA 1.613 56.918 55.300 0.008 0.000 1.047 114 M CB -1.491 31.115 32.600 0.009 0.000 1.390 114 M HN 0.044 nan 8.290 nan 0.000 0.438 115 D N -0.497 119.906 120.400 0.006 0.000 2.269 115 D HA 0.068 4.708 4.640 0.000 0.000 0.220 115 D C 2.212 178.515 176.300 0.004 0.000 0.962 115 D CA 0.513 54.516 54.000 0.004 0.000 0.884 115 D CB 0.015 40.818 40.800 0.004 0.000 1.023 115 D HN 0.302 nan 8.370 nan 0.000 0.484 116 L N 1.303 122.529 121.223 0.005 0.000 2.089 116 L HA -0.232 4.108 4.340 0.000 0.000 0.213 116 L C 2.551 179.423 176.870 0.005 0.000 1.079 116 L CA 1.301 56.144 54.840 0.005 0.000 0.758 116 L CB -0.342 41.720 42.059 0.005 0.000 0.891 116 L HN 0.026 nan 8.230 nan 0.000 0.433 117 K N 0.435 120.839 120.400 0.005 0.000 2.002 117 K HA -0.236 4.084 4.320 0.000 0.000 0.209 117 K C 2.327 178.929 176.600 0.003 0.000 1.048 117 K CA 1.514 57.804 56.287 0.005 0.000 0.930 117 K CB -0.083 32.421 32.500 0.007 0.000 0.714 117 K HN 0.077 nan 8.250 nan 0.000 0.438 118 R N -0.222 120.280 120.500 0.003 0.000 2.127 118 R HA -0.103 4.237 4.340 0.000 0.000 0.238 118 R C 2.263 178.564 176.300 0.000 0.000 1.134 118 R CA 1.643 57.744 56.100 0.001 0.000 0.975 118 R CB -0.496 29.805 30.300 0.001 0.000 0.865 118 R HN 0.445 nan 8.270 nan 0.000 0.447 119 G N 0.317 109.118 108.800 0.001 0.000 2.422 119 G HA2 -0.203 3.757 3.960 0.000 0.000 0.218 119 G HA3 -0.203 3.757 3.960 0.000 0.000 0.218 119 G C 1.382 176.283 174.900 0.001 0.000 1.140 119 G CA 0.639 45.740 45.100 0.001 0.000 0.775 119 G HN 0.255 nan 8.290 nan 0.000 0.545 120 I N 0.690 121.261 120.570 0.001 0.000 2.277 120 I HA -0.064 4.106 4.170 0.000 0.000 0.243 120 I C 2.074 178.190 176.117 -0.002 0.000 1.094 120 I CA 0.851 62.152 61.300 0.001 0.000 1.393 120 I CB -0.140 37.862 38.000 0.003 0.000 1.078 120 I HN 0.019 nan 8.210 nan 0.000 0.417 121 D N 0.994 121.392 120.400 -0.003 0.000 2.221 121 D HA -0.218 4.422 4.640 0.000 0.000 0.204 121 D C 2.000 178.295 176.300 -0.009 0.000 0.982 121 D CA 1.198 55.193 54.000 -0.008 0.000 0.857 121 D CB -0.083 40.712 40.800 -0.008 0.000 0.934 121 D HN 0.319 nan 8.370 nan 0.000 0.475 122 K N 0.727 121.124 120.400 -0.005 0.000 2.007 122 K HA 0.007 4.327 4.320 0.000 0.000 0.206 122 K C 2.004 178.602 176.600 -0.004 0.000 1.047 122 K CA 1.039 57.323 56.287 -0.005 0.000 0.937 122 K CB -0.047 32.452 32.500 -0.003 0.000 0.718 122 K HN -0.035 nan 8.250 nan 0.000 0.438 123 A N 0.504 123.323 122.820 -0.003 0.000 2.131 123 A HA -0.085 4.235 4.320 0.000 0.000 0.220 123 A C 1.958 179.540 177.584 -0.003 0.000 1.158 123 A CA 1.428 53.465 52.037 -0.001 0.000 0.665 123 A CB -0.291 18.710 19.000 0.001 0.000 0.795 123 A HN 0.212 nan 8.150 nan 0.000 0.460 124 V N -2.075 117.835 119.914 -0.007 0.000 2.581 124 V HA -0.100 4.020 4.120 0.000 0.000 0.240 124 V C 2.539 178.624 176.094 -0.015 0.000 1.054 124 V CA 1.862 64.155 62.300 -0.011 0.000 1.076 124 V CB -0.837 30.976 31.823 -0.017 0.000 0.748 124 V HN 0.490 nan 8.190 nan 0.000 0.474 125 T N 0.826 115.370 114.554 -0.016 0.000 2.680 125 T HA -0.290 4.060 4.350 0.000 0.000 0.268 125 T C 1.905 176.598 174.700 -0.012 0.000 1.033 125 T CA 2.115 64.205 62.100 -0.017 0.000 1.152 125 T CB -0.344 68.516 68.868 -0.014 0.000 0.859 125 T HN 0.562 nan 8.240 nan 0.000 0.452 126 A N 1.332 124.148 122.820 -0.008 0.000 1.825 126 A HA 0.261 4.581 4.320 0.000 0.000 0.214 126 A C 2.704 180.286 177.584 -0.003 0.000 1.206 126 A CA 1.886 53.921 52.037 -0.004 0.000 0.609 126 A CB -1.493 17.506 19.000 -0.001 0.000 0.851 126 A HN 0.504 nan 8.150 nan 0.000 0.445 127 A N -0.585 122.233 122.820 -0.002 0.000 1.929 127 A HA -0.220 4.100 4.320 0.000 0.000 0.221 127 A C 2.241 179.824 177.584 -0.001 0.000 1.211 127 A CA 2.506 54.543 52.037 0.000 0.000 0.657 127 A CB -1.415 17.585 19.000 0.001 0.000 0.827 127 A HN 0.606 nan 8.150 nan 0.000 0.462 128 V N -0.039 119.870 119.914 -0.008 0.000 2.324 128 V HA -0.265 3.855 4.120 0.000 0.000 0.250 128 V C 2.639 178.730 176.094 -0.005 0.000 1.060 128 V CA 2.364 64.658 62.300 -0.010 0.000 1.042 128 V CB -0.681 31.130 31.823 -0.020 0.000 0.650 128 V HN 0.575 nan 8.190 nan 0.000 0.450 129 E N -0.178 120.020 120.200 -0.004 0.000 2.028 129 E HA -0.182 4.168 4.350 0.000 0.000 0.190 129 E C 2.127 178.729 176.600 0.003 0.000 0.984 129 E CA 0.893 57.292 56.400 -0.001 0.000 0.800 129 E CB -0.319 29.380 29.700 -0.002 0.000 0.758 129 E HN 0.547 nan 8.360 nan 0.000 0.448 130 E N 0.326 120.529 120.200 0.004 0.000 2.515 130 E HA -0.075 4.275 4.350 0.000 0.000 0.201 130 E C 1.390 177.996 176.600 0.010 0.000 1.071 130 E CA 0.053 56.458 56.400 0.008 0.000 0.880 130 E CB -0.043 29.662 29.700 0.009 0.000 0.828 130 E HN 0.032 nan 8.360 nan 0.000 0.540 131 L N -0.613 120.615 121.223 0.008 0.000 2.537 131 L HA 0.191 4.531 4.340 0.000 0.000 0.224 131 L C 1.357 178.233 176.870 0.010 0.000 1.065 131 L CA 0.790 55.636 54.840 0.010 0.000 0.860 131 L CB 0.245 42.308 42.059 0.007 0.000 1.086 131 L HN -0.128 nan 8.230 nan 0.000 0.482 132 K N -0.504 119.900 120.400 0.007 0.000 2.366 132 K HA 0.112 4.432 4.320 0.000 0.000 0.198 132 K C 1.887 178.492 176.600 0.009 0.000 1.044 132 K CA 0.827 57.118 56.287 0.007 0.000 0.973 132 K CB 0.010 32.513 32.500 0.005 0.000 0.767 132 K HN 0.361 nan 8.250 nan 0.000 0.475 133 A N 1.142 123.968 122.820 0.010 0.000 1.930 133 A HA -0.015 4.305 4.320 0.000 0.000 0.215 133 A C 1.948 179.541 177.584 0.015 0.000 1.176 133 A CA 0.665 52.709 52.037 0.011 0.000 0.632 133 A CB -0.288 18.719 19.000 0.011 0.000 0.819 133 A HN 0.216 nan 8.150 nan 0.000 0.445 134 L N -0.099 121.134 121.223 0.017 0.000 2.313 134 L HA 0.012 4.352 4.340 0.000 0.000 0.214 134 L C 1.449 178.331 176.870 0.020 0.000 1.119 134 L CA 0.370 55.223 54.840 0.022 0.000 0.809 134 L CB -0.113 41.961 42.059 0.025 0.000 0.933 134 L HN 0.423 nan 8.230 nan 0.000 0.449 135 S N -0.521 115.189 115.700 0.017 0.000 2.558 135 S HA 0.009 4.479 4.470 0.000 0.000 0.287 135 S C -0.046 174.563 174.600 0.016 0.000 1.321 135 S CA -0.351 57.858 58.200 0.016 0.000 1.048 135 S CB 0.782 63.990 63.200 0.013 0.000 0.844 135 S HN 0.046 nan 8.310 nan 0.000 0.512 136 V N 7.726 127.649 119.914 0.015 0.000 2.276 136 V HA 0.318 4.438 4.120 0.000 0.000 0.268 136 V C -2.065 174.037 176.094 0.013 0.000 1.032 136 V CA -1.559 60.750 62.300 0.015 0.000 0.810 136 V CB 0.366 32.199 31.823 0.016 0.000 1.060 136 V HN 0.807 nan 8.190 nan 0.000 0.446 137 P HA 0.005 nan 4.420 nan 0.000 0.269 137 P C -0.387 176.919 177.300 0.009 0.000 1.185 137 P CA 0.260 63.366 63.100 0.010 0.000 0.769 137 P CB 0.185 31.890 31.700 0.009 0.000 0.809 138 C N -0.259 119.046 119.300 0.009 0.000 2.887 138 C HA 0.549 5.009 4.460 0.000 0.000 0.379 138 C C 0.687 175.681 174.990 0.006 0.000 1.064 138 C CA -0.247 58.775 59.018 0.007 0.000 1.282 138 C CB 0.281 28.026 27.740 0.008 0.000 1.749 138 C HN 0.464 nan 8.230 nan 0.000 0.489 139 S N 1.039 116.742 115.700 0.005 0.000 2.575 139 S HA 0.138 4.608 4.470 0.000 0.000 0.230 139 S C 0.334 174.936 174.600 0.003 0.000 1.062 139 S CA 0.236 58.438 58.200 0.004 0.000 0.913 139 S CB 0.015 63.218 63.200 0.004 0.000 0.837 139 S HN 0.981 nan 8.310 nan 0.000 0.487 140 D N 2.303 122.705 120.400 0.003 0.000 2.350 140 D HA 0.082 4.722 4.640 0.000 0.000 0.249 140 D C 0.740 177.041 176.300 0.001 0.000 1.119 140 D CA -0.010 53.991 54.000 0.002 0.000 0.886 140 D CB 1.079 41.881 40.800 0.002 0.000 1.195 140 D HN 0.157 nan 8.370 nan 0.000 0.437 141 S N 1.133 116.833 115.700 0.000 0.000 2.626 141 S HA -0.180 4.290 4.470 0.000 0.000 0.245 141 S C 1.296 175.895 174.600 -0.000 0.000 0.973 141 S CA 0.230 58.430 58.200 -0.001 0.000 0.959 141 S CB -0.179 63.020 63.200 -0.002 0.000 0.762 141 S HN 0.486 nan 8.310 nan 0.000 0.539 142 K N 1.187 121.588 120.400 0.001 0.000 2.262 142 K HA 0.294 4.614 4.320 0.000 0.000 0.200 142 K C 1.837 178.438 176.600 0.002 0.000 1.049 142 K CA 0.974 57.261 56.287 0.001 0.000 0.979 142 K CB -0.308 32.193 32.500 0.002 0.000 0.773 142 K HN 0.445 nan 8.250 nan 0.000 0.474 143 A N 0.940 123.762 122.820 0.002 0.000 1.901 143 A HA 0.129 4.449 4.320 0.000 0.000 0.210 143 A C 2.073 179.659 177.584 0.002 0.000 1.208 143 A CA 0.193 52.232 52.037 0.003 0.000 0.644 143 A CB -0.331 18.672 19.000 0.004 0.000 0.863 143 A HN 0.197 nan 8.150 nan 0.000 0.454 144 I N 0.374 120.945 120.570 0.002 0.000 2.300 144 I HA -0.364 3.806 4.170 0.000 0.000 0.252 144 I C 2.704 178.821 176.117 -0.000 0.000 1.119 144 I CA 1.291 62.591 61.300 0.000 0.000 1.384 144 I CB -0.176 37.823 38.000 -0.002 0.000 1.062 144 I HN 0.393 nan 8.210 nan 0.000 0.426 145 A N -0.440 122.380 122.820 -0.001 0.000 2.021 145 A HA -0.164 4.156 4.320 0.000 0.000 0.216 145 A C 2.244 179.828 177.584 -0.000 0.000 1.163 145 A CA 0.895 52.931 52.037 -0.001 0.000 0.676 145 A CB -0.298 18.701 19.000 -0.001 0.000 0.818 145 A HN 0.474 nan 8.150 nan 0.000 0.453 146 Q N -0.478 119.322 119.800 0.001 0.000 2.398 146 Q HA 0.038 4.378 4.340 0.000 0.000 0.204 146 Q C 1.444 177.445 176.000 0.002 0.000 0.932 146 Q CA 0.904 56.708 55.803 0.001 0.000 0.916 146 Q CB 0.086 28.825 28.738 0.002 0.000 1.024 146 Q HN 0.368 nan 8.270 nan 0.000 0.504 147 V N -0.294 119.622 119.914 0.003 0.000 2.407 147 V HA -0.065 4.055 4.120 0.000 0.000 0.245 147 V C 2.192 178.290 176.094 0.006 0.000 1.041 147 V CA 1.746 64.049 62.300 0.005 0.000 1.040 147 V CB -0.752 31.075 31.823 0.007 0.000 0.671 147 V HN 0.571 nan 8.190 nan 0.000 0.455 148 G N -0.227 108.575 108.800 0.004 0.000 2.422 148 G HA2 -0.239 3.721 3.960 0.000 0.000 0.218 148 G HA3 -0.239 3.721 3.960 0.000 0.000 0.218 148 G C 1.682 176.584 174.900 0.004 0.000 1.146 148 G CA 1.634 46.737 45.100 0.005 0.000 0.769 148 G HN 0.456 nan 8.290 nan 0.000 0.547 149 T N 1.473 116.028 114.554 0.002 0.000 2.643 149 T HA -0.080 4.270 4.350 0.000 0.000 0.264 149 T C 2.380 177.079 174.700 -0.000 0.000 1.045 149 T CA 1.139 63.240 62.100 0.000 0.000 1.155 149 T CB -0.230 68.637 68.868 -0.001 0.000 0.863 149 T HN 0.243 nan 8.240 nan 0.000 0.420 150 I N 1.185 121.755 120.570 -0.001 0.000 2.335 150 I HA -0.119 4.051 4.170 0.000 0.000 0.251 150 I C 1.682 177.798 176.117 -0.001 0.000 1.129 150 I CA 0.910 62.208 61.300 -0.003 0.000 1.402 150 I CB -0.294 37.704 38.000 -0.003 0.000 1.069 150 I HN 0.106 nan 8.210 nan 0.000 0.424 151 S N 0.788 116.490 115.700 0.003 0.000 2.768 151 S HA 0.403 4.873 4.470 0.000 0.000 0.246 151 S C 0.680 175.284 174.600 0.007 0.000 1.006 151 S CA 0.338 58.542 58.200 0.007 0.000 1.075 151 S CB -0.021 63.188 63.200 0.014 0.000 0.786 151 S HN 0.474 nan 8.310 nan 0.000 0.468 152 A N 1.343 124.164 122.820 0.003 0.000 3.066 152 A HA 0.462 4.782 4.320 0.000 0.000 0.194 152 A C 0.279 177.863 177.584 -0.001 0.000 0.972 152 A CA -0.769 51.270 52.037 0.003 0.000 1.183 152 A CB -0.502 18.500 19.000 0.004 0.000 1.269 152 A HN 0.295 nan 8.150 nan 0.000 0.567 153 N N 0.464 119.162 118.700 -0.003 0.000 2.708 153 N HA -0.186 4.554 4.740 0.000 0.000 0.249 153 N C 0.153 175.659 175.510 -0.007 0.000 1.097 153 N CA 1.323 54.369 53.050 -0.006 0.000 0.710 153 N CB -1.536 36.947 38.487 -0.006 0.000 1.032 153 N HN 0.915 nan 8.380 nan 0.000 0.551 154 S N -1.231 114.466 115.700 -0.006 0.000 3.791 154 S HA -0.202 4.268 4.470 0.000 0.000 0.393 154 S C -0.536 174.062 174.600 -0.004 0.000 0.936 154 S CA 0.747 58.944 58.200 -0.006 0.000 1.234 154 S CB -0.590 62.606 63.200 -0.008 0.000 0.891 154 S HN 0.568 nan 8.310 nan 0.000 0.519 155 D N 0.686 121.085 120.400 -0.003 0.000 2.462 155 D HA 0.388 5.028 4.640 0.000 0.000 0.249 155 D C 0.951 177.250 176.300 -0.002 0.000 1.117 155 D CA -0.611 53.387 54.000 -0.002 0.000 0.900 155 D CB 0.718 41.517 40.800 -0.002 0.000 1.039 155 D HN 0.283 nan 8.370 nan 0.000 0.516 156 E N 0.505 120.703 120.200 -0.002 0.000 2.284 156 E HA -0.171 4.179 4.350 0.000 0.000 0.200 156 E C 1.639 178.238 176.600 -0.002 0.000 1.008 156 E CA 1.420 57.819 56.400 -0.002 0.000 0.829 156 E CB 0.094 29.792 29.700 -0.002 0.000 0.744 156 E HN 0.406 nan 8.360 nan 0.000 0.491 157 T N -0.185 114.368 114.554 -0.002 0.000 2.777 157 T HA -0.114 4.236 4.350 0.000 0.000 0.266 157 T C 1.937 176.636 174.700 -0.003 0.000 1.040 157 T CA 1.110 63.209 62.100 -0.002 0.000 1.141 157 T CB -0.219 68.648 68.868 -0.002 0.000 0.868 157 T HN -0.003 nan 8.240 nan 0.000 0.444 158 V N 1.489 121.402 119.914 -0.002 0.000 2.220 158 V HA -0.135 3.985 4.120 0.000 0.000 0.246 158 V C 2.905 178.997 176.094 -0.003 0.000 1.049 158 V CA 2.169 64.468 62.300 -0.002 0.000 1.003 158 V CB -1.454 30.369 31.823 0.000 0.000 0.634 158 V HN 0.575 nan 8.190 nan 0.000 0.444 159 G N -0.514 108.285 108.800 -0.002 0.000 2.469 159 G HA2 -0.366 3.594 3.960 0.000 0.000 0.219 159 G HA3 -0.366 3.594 3.960 0.000 0.000 0.219 159 G C 1.652 176.550 174.900 -0.003 0.000 1.150 159 G CA 1.317 46.416 45.100 -0.002 0.000 0.763 159 G HN 0.519 nan 8.290 nan 0.000 0.561 160 K N -0.088 120.310 120.400 -0.003 0.000 2.057 160 K HA 0.054 4.374 4.320 0.000 0.000 0.207 160 K C 2.454 179.052 176.600 -0.005 0.000 1.049 160 K CA 0.983 57.267 56.287 -0.004 0.000 0.931 160 K CB -0.282 32.216 32.500 -0.003 0.000 0.714 160 K HN 0.359 nan 8.250 nan 0.000 0.440 161 L N 1.044 122.263 121.223 -0.005 0.000 2.017 161 L HA -0.170 4.170 4.340 0.000 0.000 0.208 161 L C 2.338 179.202 176.870 -0.009 0.000 1.073 161 L CA 1.111 55.946 54.840 -0.007 0.000 0.745 161 L CB -0.182 41.873 42.059 -0.007 0.000 0.894 161 L HN 0.281 nan 8.230 nan 0.000 0.432 162 I N -0.384 120.180 120.570 -0.010 0.000 2.127 162 I HA -0.352 3.818 4.170 0.000 0.000 0.241 162 I C 2.773 178.882 176.117 -0.012 0.000 1.075 162 I CA 1.342 62.634 61.300 -0.013 0.000 1.334 162 I CB -0.577 37.415 38.000 -0.012 0.000 1.040 162 I HN 0.308 nan 8.210 nan 0.000 0.405 163 A N 0.581 123.395 122.820 -0.009 0.000 1.873 163 A HA -0.266 4.054 4.320 0.000 0.000 0.218 163 A C 2.133 179.713 177.584 -0.008 0.000 1.193 163 A CA 1.971 54.003 52.037 -0.007 0.000 0.629 163 A CB -0.827 18.170 19.000 -0.005 0.000 0.826 163 A HN 0.507 nan 8.150 nan 0.000 0.447 164 E N -0.475 119.720 120.200 -0.007 0.000 2.396 164 E HA -0.078 4.272 4.350 0.000 0.000 0.200 164 E C 1.954 178.549 176.600 -0.009 0.000 1.023 164 E CA 0.621 57.017 56.400 -0.007 0.000 0.857 164 E CB -0.215 29.481 29.700 -0.006 0.000 0.775 164 E HN 0.670 nan 8.360 nan 0.000 0.525 165 A N 0.844 123.658 122.820 -0.011 0.000 1.887 165 A HA 0.038 4.358 4.320 0.000 0.000 0.210 165 A C 2.021 179.597 177.584 -0.015 0.000 1.221 165 A CA 0.169 52.197 52.037 -0.014 0.000 0.635 165 A CB -0.124 18.865 19.000 -0.018 0.000 0.881 165 A HN 0.071 nan 8.150 nan 0.000 0.456 166 M N 0.080 119.671 119.600 -0.015 0.000 2.623 166 M HA -0.146 4.334 4.480 0.000 0.000 0.258 166 M C 1.392 177.686 176.300 -0.010 0.000 1.067 166 M CA 1.569 56.861 55.300 -0.014 0.000 1.068 166 M CB -0.471 32.121 32.600 -0.013 0.000 1.409 166 M HN 0.551 nan 8.290 nan 0.000 0.504 167 D N 0.714 121.108 120.400 -0.009 0.000 2.202 167 D HA -0.063 4.577 4.640 0.000 0.000 0.214 167 D C 1.646 177.942 176.300 -0.007 0.000 0.967 167 D CA 1.125 55.120 54.000 -0.007 0.000 0.871 167 D CB 0.208 41.004 40.800 -0.006 0.000 1.020 167 D HN 0.137 nan 8.370 nan 0.000 0.474 168 K N -0.399 119.996 120.400 -0.008 0.000 2.442 168 K HA -0.028 4.292 4.320 0.000 0.000 0.198 168 K C 1.197 177.792 176.600 -0.008 0.000 1.044 168 K CA 0.709 56.991 56.287 -0.007 0.000 0.948 168 K CB 0.548 33.044 32.500 -0.008 0.000 0.762 168 K HN 0.188 nan 8.250 nan 0.000 0.472 169 V N -1.223 118.686 119.914 -0.009 0.000 3.539 169 V HA 0.219 4.339 4.120 0.000 0.000 0.262 169 V C 0.533 176.622 176.094 -0.008 0.000 1.381 169 V CA 0.052 62.347 62.300 -0.009 0.000 1.060 169 V CB 0.672 32.487 31.823 -0.013 0.000 0.842 169 V HN 0.389 nan 8.190 nan 0.000 0.445 170 G N 1.491 110.286 108.800 -0.009 0.000 2.785 170 G HA2 -0.167 3.793 3.960 0.000 0.000 0.686 170 G HA3 -0.167 3.793 3.960 0.000 0.000 0.686 170 G C 0.093 174.988 174.900 -0.008 0.000 1.155 170 G CA -0.039 45.057 45.100 -0.007 0.000 0.760 170 G HN 0.247 nan 8.290 nan 0.000 0.624 171 K N 0.200 120.596 120.400 -0.006 0.000 2.304 171 K HA -0.159 4.161 4.320 0.000 0.000 0.204 171 K C 1.490 178.086 176.600 -0.007 0.000 1.044 171 K CA 1.807 58.090 56.287 -0.007 0.000 0.932 171 K CB 0.054 32.552 32.500 -0.003 0.000 0.735 171 K HN 0.518 nan 8.250 nan 0.000 0.468 172 E N 0.234 120.431 120.200 -0.005 0.000 2.476 172 E HA 0.084 4.434 4.350 0.000 0.000 0.196 172 E C 0.826 177.423 176.600 -0.006 0.000 1.029 172 E CA 0.035 56.433 56.400 -0.004 0.000 0.896 172 E CB 0.757 30.457 29.700 0.000 0.000 1.012 172 E HN 0.317 nan 8.360 nan 0.000 0.475 173 G N 0.913 109.707 108.800 -0.010 0.000 2.525 173 G HA2 0.399 4.359 3.960 0.000 0.000 0.287 173 G HA3 0.399 4.359 3.960 0.000 0.000 0.287 173 G C 0.045 174.934 174.900 -0.020 0.000 1.350 173 G CA -0.412 44.681 45.100 -0.012 0.000 1.039 173 G HN 0.014 nan 8.290 nan 0.000 0.513 174 V N -1.803 118.098 119.914 -0.021 0.000 2.547 174 V HA 0.751 4.871 4.120 0.000 0.000 0.299 174 V C -0.299 175.773 176.094 -0.037 0.000 1.040 174 V CA -0.913 61.368 62.300 -0.031 0.000 0.913 174 V CB 1.308 33.117 31.823 -0.025 0.000 0.992 174 V HN 0.532 nan 8.190 nan 0.000 0.449 175 I N 2.711 123.249 120.570 -0.052 0.000 2.499 175 I HA 0.526 4.696 4.170 0.000 0.000 0.288 175 I C -0.171 175.911 176.117 -0.058 0.000 1.048 175 I CA -0.165 61.103 61.300 -0.052 0.000 1.062 175 I CB 2.526 40.490 38.000 -0.059 0.000 1.238 175 I HN 0.714 nan 8.210 nan 0.000 0.426 176 T N 4.996 119.525 114.554 -0.042 0.000 2.918 176 T HA 0.634 4.984 4.350 0.000 0.000 0.286 176 T C -0.463 174.220 174.700 -0.029 0.000 1.026 176 T CA -0.597 61.481 62.100 -0.036 0.000 1.031 176 T CB 2.424 71.276 68.868 -0.028 0.000 1.046 176 T HN 0.210 nan 8.240 nan 0.000 0.479 177 V N 2.576 122.477 119.914 -0.023 0.000 2.443 177 V HA 0.466 4.586 4.120 0.000 0.000 0.293 177 V C -0.190 175.899 176.094 -0.008 0.000 1.021 177 V CA -0.776 61.515 62.300 -0.015 0.000 0.848 177 V CB 1.473 33.288 31.823 -0.012 0.000 0.998 177 V HN 0.870 nan 8.190 nan 0.000 0.424 178 E N 1.978 122.173 120.200 -0.008 0.000 2.412 178 E HA 0.459 4.809 4.350 0.000 0.000 0.255 178 E C -1.219 175.379 176.600 -0.004 0.000 0.933 178 E CA -1.064 55.332 56.400 -0.006 0.000 0.823 178 E CB 1.516 31.212 29.700 -0.008 0.000 1.352 178 E HN 0.609 nan 8.360 nan 0.000 0.406 179 D N 0.583 120.981 120.400 -0.003 0.000 2.345 179 D HA 0.208 4.848 4.640 0.000 0.000 0.247 179 D C -0.103 176.195 176.300 -0.004 0.000 1.108 179 D CA 0.071 54.069 54.000 -0.003 0.000 0.894 179 D CB 1.351 42.150 40.800 -0.002 0.000 1.203 179 D HN 0.433 nan 8.370 nan 0.000 0.430 180 G N -0.064 108.734 108.800 -0.003 0.000 2.507 180 G HA2 0.304 4.264 3.960 0.000 0.000 0.271 180 G HA3 0.304 4.264 3.960 0.000 0.000 0.271 180 G C 0.338 175.235 174.900 -0.004 0.000 1.189 180 G CA -0.540 44.558 45.100 -0.004 0.000 0.859 180 G HN 0.404 nan 8.290 nan 0.000 0.542 181 T N -1.087 113.465 114.554 -0.004 0.000 3.540 181 T HA 0.575 4.925 4.350 0.000 0.000 0.269 181 T C 0.972 175.670 174.700 -0.004 0.000 1.481 181 T CA 0.298 62.395 62.100 -0.004 0.000 1.224 181 T CB -0.222 68.643 68.868 -0.005 0.000 1.192 181 T HN 2.013 nan 8.240 nan 0.000 0.756 182 G N 1.761 110.560 108.800 -0.003 0.000 2.378 182 G HA2 -0.009 3.951 3.960 0.000 0.000 0.198 182 G HA3 -0.009 3.951 3.960 0.000 0.000 0.198 182 G C -1.136 173.763 174.900 -0.003 0.000 1.223 182 G CA -0.596 44.503 45.100 -0.003 0.000 1.088 182 G HN 0.617 nan 8.290 nan 0.000 0.530 183 L N 1.102 122.323 121.223 -0.002 0.000 2.421 183 L HA 0.692 5.032 4.340 0.000 0.000 0.263 183 L C 0.634 177.502 176.870 -0.003 0.000 1.122 183 L CA 0.568 55.406 54.840 -0.002 0.000 0.804 183 L CB 0.542 42.600 42.059 -0.002 0.000 1.150 183 L HN 1.090 nan 8.230 nan 0.000 0.457 184 Q N 2.122 121.921 119.800 -0.003 0.000 3.149 184 Q HA -0.108 4.232 4.340 0.000 0.000 0.055 184 Q C -1.318 174.680 176.000 -0.004 0.000 1.662 184 Q CA 0.352 56.153 55.803 -0.003 0.000 0.281 184 Q CB -0.235 28.501 28.738 -0.003 0.000 0.584 184 Q HN 0.652 nan 8.270 nan 0.000 0.322 185 D N 3.516 123.914 120.400 -0.004 0.000 2.304 185 D HA 0.195 4.835 4.640 0.000 0.000 0.250 185 D C -0.000 176.297 176.300 -0.005 0.000 1.107 185 D CA 0.130 54.127 54.000 -0.005 0.000 0.885 185 D CB 0.890 41.687 40.800 -0.005 0.000 1.192 185 D HN 0.290 nan 8.370 nan 0.000 0.436 186 E N 0.409 120.606 120.200 -0.006 0.000 2.221 186 E HA 0.528 4.878 4.350 0.000 0.000 0.268 186 E C -0.805 175.790 176.600 -0.007 0.000 0.933 186 E CA -1.025 55.371 56.400 -0.006 0.000 0.809 186 E CB 2.283 31.979 29.700 -0.006 0.000 1.190 186 E HN 0.092 nan 8.360 nan 0.000 0.406 187 L N 2.438 123.656 121.223 -0.008 0.000 2.563 187 L HA 0.370 4.710 4.340 0.000 0.000 0.259 187 L C -1.744 175.121 176.870 -0.009 0.000 1.034 187 L CA -0.226 54.608 54.840 -0.009 0.000 0.899 187 L CB 0.894 42.948 42.059 -0.009 0.000 1.159 187 L HN 0.412 nan 8.230 nan 0.000 0.456 188 D N 2.515 122.910 120.400 -0.009 0.000 2.449 188 D HA 0.669 5.309 4.640 0.000 0.000 0.250 188 D C -0.863 175.431 176.300 -0.009 0.000 1.050 188 D CA -0.355 53.640 54.000 -0.009 0.000 1.024 188 D CB 2.828 43.623 40.800 -0.008 0.000 1.218 188 D HN 0.235 nan 8.370 nan 0.000 0.566 189 V N 0.901 120.810 119.914 -0.008 0.000 2.531 189 V HA 0.431 4.551 4.120 0.000 0.000 0.301 189 V C 0.095 176.184 176.094 -0.007 0.000 1.034 189 V CA -0.713 61.582 62.300 -0.008 0.000 0.865 189 V CB 1.729 33.548 31.823 -0.007 0.000 0.995 189 V HN 0.472 nan 8.190 nan 0.000 0.424 190 V N 0.849 120.759 119.914 -0.007 0.000 3.126 190 V HA 0.703 4.823 4.120 0.000 0.000 0.314 190 V C -0.298 175.795 176.094 -0.003 0.000 1.138 190 V CA -1.076 61.221 62.300 -0.006 0.000 1.034 190 V CB 2.074 33.892 31.823 -0.007 0.000 1.075 190 V HN 0.701 nan 8.190 nan 0.000 0.442 191 E N 1.437 121.636 120.200 -0.001 0.000 2.417 191 E HA 0.542 4.892 4.350 0.000 0.000 0.261 191 E C 0.307 176.911 176.600 0.007 0.000 1.000 191 E CA 1.046 57.448 56.400 0.003 0.000 0.919 191 E CB 0.721 30.423 29.700 0.003 0.000 0.955 191 E HN 1.283 nan 8.360 nan 0.000 0.455 192 G N 1.387 110.195 108.800 0.012 0.000 2.328 192 G HA2 0.458 4.418 3.960 0.000 0.000 0.295 192 G HA3 0.458 4.418 3.960 0.000 0.000 0.295 192 G C -0.898 174.020 174.900 0.030 0.000 1.413 192 G CA -0.335 44.778 45.100 0.021 0.000 0.817 192 G HN 0.443 nan 8.290 nan 0.000 0.546 193 M N -1.468 118.160 119.600 0.048 0.000 3.331 193 M HA 0.858 5.338 4.480 0.000 0.000 0.281 193 M C -1.711 174.629 176.300 0.067 0.000 1.338 193 M CA -0.963 54.375 55.300 0.064 0.000 0.827 193 M CB 2.287 34.944 32.600 0.096 0.000 1.674 193 M HN 0.809 nan 8.290 nan 0.000 0.477 194 Q N 1.543 121.393 119.800 0.084 0.000 2.331 194 Q HA 0.512 4.852 4.340 0.000 0.000 0.249 194 Q C -2.291 173.757 176.000 0.079 0.000 0.913 194 Q CA -0.692 55.112 55.803 0.001 0.000 0.874 194 Q CB 1.837 30.541 28.738 -0.057 0.000 1.384 194 Q HN 0.690 nan 8.270 nan 0.000 0.427 195 F N 0.407 120.354 119.950 -0.005 0.000 2.450 195 F HA 0.560 5.087 4.527 -0.000 0.000 0.328 195 F C 0.086 175.883 175.800 -0.005 0.000 1.068 195 F CA -1.231 56.768 58.000 -0.002 0.000 1.007 195 F CB 0.700 39.700 39.000 0.001 0.000 1.251 195 F HN 0.333 nan 8.300 nan 0.000 0.492 196 D N 2.010 122.513 120.400 0.171 0.000 2.994 196 D HA 0.117 4.757 4.640 0.000 0.000 0.240 196 D C -0.163 176.182 176.300 0.074 0.000 1.195 196 D CA 0.177 54.215 54.000 0.063 0.000 0.957 196 D CB -0.129 40.711 40.800 0.067 0.000 1.105 196 D HN 0.214 nan 8.370 nan 0.000 0.477 197 R N 0.362 120.890 120.500 0.046 0.000 2.480 197 R HA 0.502 4.842 4.340 0.000 0.000 0.306 197 R C 0.502 176.750 176.300 -0.086 0.000 0.958 197 R CA -0.695 55.444 56.100 0.065 0.000 0.861 197 R CB 2.016 32.497 30.300 0.302 0.000 1.171 197 R HN 0.132 nan 8.270 nan 0.000 0.445 198 G N 1.486 110.211 108.800 -0.125 0.000 2.557 198 G HA2 0.328 4.288 3.960 0.000 0.000 0.292 198 G HA3 0.328 4.288 3.960 0.000 0.000 0.292 198 G C -0.575 174.203 174.900 -0.203 0.000 1.237 198 G CA -0.425 44.497 45.100 -0.296 0.000 0.978 198 G HN 0.467 nan 8.290 nan 0.000 0.498 199 Y N -1.202 119.104 120.300 0.012 0.000 2.457 199 Y HA 0.325 4.875 4.550 0.000 0.000 0.341 199 Y C 1.382 177.331 175.900 0.081 0.000 1.240 199 Y CA -1.251 56.861 58.100 0.021 0.000 1.437 199 Y CB 0.372 38.873 38.460 0.070 0.000 1.328 199 Y HN 0.205 nan 8.280 nan 0.000 0.588 200 L N 1.054 122.471 121.223 0.324 0.000 2.291 200 L HA -0.014 4.326 4.340 0.000 0.000 0.214 200 L C 0.805 177.932 176.870 0.427 0.000 1.120 200 L CA 1.479 56.505 54.840 0.311 0.000 0.799 200 L CB -0.190 42.018 42.059 0.249 0.000 0.925 200 L HN 0.819 nan 8.230 nan 0.000 0.446 201 S N -2.524 113.534 115.700 0.597 0.000 2.558 201 S HA 0.390 4.860 4.470 0.000 0.000 0.277 201 S C -2.591 172.080 174.600 0.118 0.000 1.143 201 S CA -1.079 57.350 58.200 0.382 0.000 0.865 201 S CB 1.768 65.128 63.200 0.267 0.000 1.102 201 S HN -0.278 nan 8.310 nan 0.000 0.454 202 P HA 0.352 nan 4.420 nan 0.000 0.330 202 P C 0.106 177.246 177.300 -0.266 0.000 1.377 202 P CA 0.500 63.283 63.100 -0.529 0.000 0.793 202 P CB -0.010 31.393 31.700 -0.495 0.000 1.813 203 Y N -4.513 115.637 120.300 -0.249 0.000 2.742 203 Y HA -0.330 4.220 4.550 0.000 0.000 0.485 203 Y C 1.971 177.757 175.900 -0.191 0.000 1.119 203 Y CA 1.683 59.642 58.100 -0.234 0.000 2.917 203 Y CB -2.973 35.294 38.460 -0.323 0.000 0.951 203 Y HN 0.098 nan 8.280 nan 0.000 0.562 204 F N 0.634 120.592 119.950 0.012 0.000 2.225 204 F HA -0.180 4.347 4.527 -0.000 0.000 0.302 204 F C 1.622 177.389 175.800 -0.055 0.000 1.068 204 F CA 1.349 59.338 58.000 -0.018 0.000 1.327 204 F CB -0.739 38.245 39.000 -0.026 0.000 1.043 204 F HN 0.019 nan 8.300 nan 0.000 0.506 205 I N 1.485 122.074 120.570 0.031 0.000 3.058 205 I HA -0.202 3.968 4.170 0.000 0.000 0.299 205 I C 0.636 176.766 176.117 0.023 0.000 1.238 205 I CA 1.019 62.306 61.300 -0.020 0.000 1.423 205 I CB 0.072 38.000 38.000 -0.120 0.000 1.330 205 I HN 0.258 nan 8.210 nan 0.000 0.589 206 N N 1.705 120.420 118.700 0.024 0.000 2.228 206 N HA 0.090 4.830 4.740 0.000 0.000 0.237 206 N C -0.614 174.907 175.510 0.019 0.000 1.382 206 N CA -0.419 52.647 53.050 0.026 0.000 0.787 206 N CB 0.479 38.991 38.487 0.041 0.000 1.320 206 N HN 0.365 nan 8.380 nan 0.000 0.507 207 K N 1.047 121.455 120.400 0.013 0.000 3.350 207 K HA 0.282 4.602 4.320 0.000 0.000 0.167 207 K C -2.213 174.390 176.600 0.006 0.000 1.058 207 K CA -0.995 55.300 56.287 0.013 0.000 0.783 207 K CB 1.863 34.375 32.500 0.021 0.000 0.872 207 K HN 0.015 nan 8.250 nan 0.000 0.561 208 P HA -0.196 nan 4.420 nan 0.000 0.223 208 P C 0.484 177.780 177.300 -0.008 0.000 1.140 208 P CA 1.231 64.323 63.100 -0.013 0.000 0.783 208 P CB 0.503 32.192 31.700 -0.019 0.000 0.759 209 E N -0.071 120.129 120.200 -0.000 0.000 2.110 209 E HA -0.107 4.243 4.350 0.000 0.000 0.193 209 E C 1.896 178.497 176.600 0.002 0.000 0.988 209 E CA 2.166 58.566 56.400 0.001 0.000 0.804 209 E CB -0.904 28.799 29.700 0.005 0.000 0.745 209 E HN 0.444 nan 8.360 nan 0.000 0.458 210 T N -4.627 109.933 114.554 0.009 0.000 3.004 210 T HA 0.363 4.713 4.350 0.000 0.000 0.266 210 T C 1.202 175.916 174.700 0.023 0.000 0.986 210 T CA 0.025 62.133 62.100 0.014 0.000 0.902 210 T CB 0.661 69.547 68.868 0.030 0.000 1.118 210 T HN 0.232 nan 8.240 nan 0.000 0.522 211 G N 1.325 110.136 108.800 0.020 0.000 2.351 211 G HA2 0.247 4.207 3.960 0.000 0.000 0.297 211 G HA3 0.247 4.207 3.960 0.000 0.000 0.297 211 G C 0.037 174.986 174.900 0.081 0.000 1.054 211 G CA -0.077 45.039 45.100 0.028 0.000 1.123 211 G HN 1.334 nan 8.290 nan 0.000 0.512 212 A N -0.646 122.215 122.820 0.069 0.000 2.556 212 A HA 0.933 5.253 4.320 0.000 0.000 0.294 212 A C 0.165 177.795 177.584 0.078 0.000 1.091 212 A CA -0.105 51.999 52.037 0.112 0.000 0.704 212 A CB 1.717 20.773 19.000 0.094 0.000 1.300 212 A HN 1.309 nan 8.150 nan 0.000 0.406 213 V N 0.363 120.338 119.914 0.103 0.000 3.336 213 V HA 0.613 4.733 4.120 0.000 0.000 0.304 213 V C 0.348 176.472 176.094 0.050 0.000 1.073 213 V CA -0.072 62.274 62.300 0.077 0.000 1.074 213 V CB 1.416 33.291 31.823 0.086 0.000 1.161 213 V HN 0.979 nan 8.190 nan 0.000 0.460 214 E N 0.636 120.859 120.200 0.039 0.000 2.597 214 E HA 0.455 4.805 4.350 0.000 0.000 0.310 214 E C -2.161 174.451 176.600 0.020 0.000 0.970 214 E CA -0.492 55.922 56.400 0.023 0.000 0.819 214 E CB 1.255 30.968 29.700 0.021 0.000 1.267 214 E HN 0.571 nan 8.360 nan 0.000 0.411 215 L N 3.046 124.274 121.223 0.009 0.000 2.408 215 L HA 0.519 4.859 4.340 0.000 0.000 0.268 215 L C -0.329 176.536 176.870 -0.009 0.000 0.986 215 L CA -1.147 53.697 54.840 0.006 0.000 0.820 215 L CB 1.938 44.003 42.059 0.009 0.000 1.303 215 L HN 0.424 nan 8.230 nan 0.000 0.411 216 E N 1.329 121.522 120.200 -0.012 0.000 2.229 216 E HA 0.132 4.482 4.350 0.000 0.000 0.283 216 E C 0.233 176.800 176.600 -0.056 0.000 1.030 216 E CA -0.230 56.153 56.400 -0.028 0.000 0.836 216 E CB 1.432 31.120 29.700 -0.020 0.000 1.068 216 E HN 0.603 nan 8.360 nan 0.000 0.401 217 S N 2.431 118.086 115.700 -0.075 0.000 3.367 217 S HA -0.147 4.323 4.470 0.000 0.000 0.375 217 S C -1.907 172.572 174.600 -0.200 0.000 0.962 217 S CA 0.411 58.532 58.200 -0.131 0.000 1.229 217 S CB -1.283 61.833 63.200 -0.139 0.000 0.905 217 S HN 0.464 nan 8.310 nan 0.000 0.482 218 P HA 0.274 nan 4.420 nan 0.000 0.273 218 P C 0.006 177.203 177.300 -0.172 0.000 1.250 218 P CA -0.343 62.694 63.100 -0.104 0.000 0.793 218 P CB 0.456 32.150 31.700 -0.011 0.000 1.011 219 F N -0.385 119.573 119.950 0.013 0.000 2.425 219 F HA 0.456 4.983 4.527 -0.000 0.000 0.331 219 F C 0.746 176.554 175.800 0.014 0.000 1.085 219 F CA -0.499 57.509 58.000 0.013 0.000 1.028 219 F CB 0.913 39.920 39.000 0.012 0.000 1.177 219 F HN 0.043 nan 8.300 nan 0.000 0.487 220 I N 4.281 124.997 120.570 0.244 0.000 2.436 220 I HA 0.272 4.442 4.170 0.000 0.000 0.289 220 I C -1.278 174.903 176.117 0.108 0.000 1.010 220 I CA -0.996 60.387 61.300 0.138 0.000 1.098 220 I CB 1.844 39.905 38.000 0.102 0.000 1.266 220 I HN 0.230 nan 8.210 nan 0.000 0.434 221 L N 8.150 129.417 121.223 0.073 0.000 2.255 221 L HA 0.444 4.784 4.340 0.000 0.000 0.289 221 L C -0.796 176.090 176.870 0.027 0.000 1.046 221 L CA -0.049 54.815 54.840 0.040 0.000 0.816 221 L CB 0.609 42.684 42.059 0.027 0.000 1.197 221 L HN 0.465 nan 8.230 nan 0.000 0.427 222 L N 6.398 127.631 121.223 0.017 0.000 2.314 222 L HA 0.647 4.987 4.340 0.000 0.000 0.275 222 L C 0.014 176.881 176.870 -0.004 0.000 1.068 222 L CA -0.379 54.462 54.840 0.001 0.000 0.894 222 L CB 0.732 42.789 42.059 -0.004 0.000 1.275 222 L HN 0.768 nan 8.230 nan 0.000 0.432 223 A N 1.702 124.520 122.820 -0.003 0.000 2.304 223 A HA 0.387 4.707 4.320 0.000 0.000 0.314 223 A C -0.657 176.924 177.584 -0.005 0.000 1.187 223 A CA -0.565 51.470 52.037 -0.003 0.000 0.810 223 A CB 1.013 20.015 19.000 0.003 0.000 1.183 223 A HN 0.620 nan 8.150 nan 0.000 0.487 224 D N 2.786 123.181 120.400 -0.008 0.000 2.453 224 D HA 0.457 5.097 4.640 0.000 0.000 0.223 224 D C -0.015 176.286 176.300 0.001 0.000 1.183 224 D CA 0.432 54.427 54.000 -0.008 0.000 0.933 224 D CB -0.394 40.398 40.800 -0.013 0.000 1.038 224 D HN 0.646 nan 8.370 nan 0.000 0.513 225 K N 0.616 121.021 120.400 0.007 0.000 3.663 225 K HA 0.171 4.491 4.320 0.000 0.000 0.413 225 K C -1.261 175.350 176.600 0.019 0.000 1.089 225 K CA -1.163 55.132 56.287 0.013 0.000 0.860 225 K CB 0.266 32.772 32.500 0.010 0.000 1.492 225 K HN -0.033 nan 8.250 nan 0.000 0.517 226 K N 0.523 120.936 120.400 0.022 0.000 2.087 226 K HA 0.580 4.900 4.320 0.000 0.000 0.255 226 K C -0.594 176.021 176.600 0.026 0.000 0.988 226 K CA -0.691 55.612 56.287 0.027 0.000 0.915 226 K CB 0.904 33.421 32.500 0.028 0.000 1.043 226 K HN 0.391 nan 8.250 nan 0.000 0.457 227 I N 0.829 121.418 120.570 0.031 0.000 2.512 227 I HA 0.072 4.242 4.170 0.000 0.000 0.287 227 I C 0.125 176.263 176.117 0.036 0.000 1.069 227 I CA -0.050 61.268 61.300 0.031 0.000 1.056 227 I CB 2.063 40.083 38.000 0.032 0.000 1.229 227 I HN 0.634 nan 8.210 nan 0.000 0.429 228 S N 3.940 119.658 115.700 0.030 0.000 2.700 228 S HA 0.247 4.717 4.470 0.000 0.000 0.272 228 S C -0.114 174.500 174.600 0.024 0.000 1.052 228 S CA -0.174 58.044 58.200 0.030 0.000 1.317 228 S CB 0.282 63.498 63.200 0.028 0.000 1.212 228 S HN 0.600 nan 8.310 nan 0.000 0.675 229 N N 2.736 121.448 118.700 0.020 0.000 2.699 229 N HA 0.303 5.043 4.740 0.000 0.000 0.232 229 N C 0.729 176.248 175.510 0.015 0.000 1.027 229 N CA -0.121 52.938 53.050 0.015 0.000 0.920 229 N CB 1.103 39.597 38.487 0.012 0.000 1.148 229 N HN 0.424 nan 8.380 nan 0.000 0.509 230 I N 1.604 122.184 120.570 0.016 0.000 2.479 230 I HA -0.275 3.895 4.170 0.000 0.000 0.258 230 I C 2.198 178.321 176.117 0.010 0.000 1.165 230 I CA 1.234 62.544 61.300 0.016 0.000 1.422 230 I CB 0.199 38.208 38.000 0.015 0.000 1.087 230 I HN 0.388 nan 8.210 nan 0.000 0.441 231 R N 0.922 121.427 120.500 0.007 0.000 2.355 231 R HA -0.174 4.166 4.340 0.000 0.000 0.219 231 R C 1.475 177.776 176.300 0.003 0.000 1.107 231 R CA 1.360 57.462 56.100 0.004 0.000 1.021 231 R CB -0.057 30.245 30.300 0.003 0.000 0.852 231 R HN 0.577 nan 8.270 nan 0.000 0.475 232 E N -1.021 119.182 120.200 0.004 0.000 2.452 232 E HA -0.002 4.348 4.350 0.000 0.000 0.197 232 E C 1.435 178.036 176.600 0.000 0.000 1.022 232 E CA 0.067 56.469 56.400 0.002 0.000 0.890 232 E CB 0.361 30.064 29.700 0.004 0.000 0.918 232 E HN 0.260 nan 8.360 nan 0.000 0.496 233 M N 0.274 119.877 119.600 0.004 0.000 2.394 233 M HA 0.057 4.537 4.480 0.000 0.000 0.266 233 M C 2.150 178.448 176.300 -0.003 0.000 1.098 233 M CA 0.815 56.116 55.300 0.003 0.000 1.149 233 M CB -0.506 32.102 32.600 0.013 0.000 1.369 233 M HN 0.138 nan 8.290 nan 0.000 0.450 234 L N 1.116 122.337 121.223 -0.002 0.000 1.990 234 L HA -0.197 4.143 4.340 0.000 0.000 0.213 234 L C -0.280 176.582 176.870 -0.013 0.000 1.072 234 L CA 1.636 56.473 54.840 -0.006 0.000 0.755 234 L CB -2.660 39.396 42.059 -0.004 0.000 0.889 234 L HN 0.186 nan 8.230 nan 0.000 0.432 235 P HA -0.107 nan 4.420 nan 0.000 0.226 235 P C 0.766 178.046 177.300 -0.033 0.000 1.146 235 P CA 1.345 64.432 63.100 -0.021 0.000 0.773 235 P CB 0.195 31.885 31.700 -0.018 0.000 0.772 236 V N -0.885 119.008 119.914 -0.036 0.000 3.047 236 V HA 0.210 4.330 4.120 0.000 0.000 0.374 236 V C 1.132 177.193 176.094 -0.056 0.000 1.399 236 V CA -0.024 62.242 62.300 -0.057 0.000 1.251 236 V CB 0.533 32.320 31.823 -0.059 0.000 1.228 236 V HN 0.015 nan 8.190 nan 0.000 0.589 237 L N -1.259 119.942 121.223 -0.036 0.000 2.854 237 L HA 0.403 4.743 4.340 0.000 0.000 0.249 237 L C 1.947 178.806 176.870 -0.017 0.000 1.091 237 L CA 0.755 55.583 54.840 -0.020 0.000 0.935 237 L CB 0.918 42.977 42.059 -0.000 0.000 1.367 237 L HN 0.221 nan 8.230 nan 0.000 0.524 238 E N 0.473 120.661 120.200 -0.020 0.000 2.216 238 E HA -0.011 4.339 4.350 0.000 0.000 0.192 238 E C 1.622 178.207 176.600 -0.025 0.000 0.988 238 E CA 0.719 57.111 56.400 -0.014 0.000 0.834 238 E CB 0.124 29.817 29.700 -0.013 0.000 0.772 238 E HN 0.513 nan 8.360 nan 0.000 0.479 239 A N 0.663 123.453 122.820 -0.050 0.000 2.250 239 A HA 0.035 4.355 4.320 0.000 0.000 0.208 239 A C 1.645 179.166 177.584 -0.104 0.000 1.254 239 A CA 0.443 52.433 52.037 -0.078 0.000 0.858 239 A CB 0.066 19.000 19.000 -0.110 0.000 0.820 239 A HN 0.078 nan 8.150 nan 0.000 0.484 240 V N -2.073 117.810 119.914 -0.052 0.000 3.473 240 V HA 0.088 4.208 4.120 0.000 0.000 0.253 240 V C 2.515 178.634 176.094 0.042 0.000 1.340 240 V CA 0.946 63.242 62.300 -0.007 0.000 1.103 240 V CB 0.076 31.905 31.823 0.011 0.000 0.881 240 V HN 0.488 nan 8.190 nan 0.000 0.451 241 A N -0.093 122.741 122.820 0.024 0.000 2.067 241 A HA -0.077 4.243 4.320 0.000 0.000 0.219 241 A C 1.431 179.034 177.584 0.032 0.000 1.158 241 A CA 0.981 53.036 52.037 0.030 0.000 0.661 241 A CB -0.191 18.820 19.000 0.018 0.000 0.801 241 A HN 0.402 nan 8.150 nan 0.000 0.452 242 K N 0.063 120.478 120.400 0.024 0.000 2.285 242 K HA 0.428 4.748 4.320 0.000 0.000 0.286 242 K C 0.038 176.671 176.600 0.056 0.000 1.072 242 K CA 0.435 56.738 56.287 0.027 0.000 0.913 242 K CB 0.115 32.620 32.500 0.008 0.000 1.067 242 K HN 0.856 nan 8.250 nan 0.000 0.479 243 A N 3.119 125.979 122.820 0.066 0.000 2.971 243 A HA -0.125 4.195 4.320 0.000 0.000 0.280 243 A C 0.634 178.292 177.584 0.124 0.000 1.430 243 A CA 0.389 52.485 52.037 0.098 0.000 0.749 243 A CB -2.263 16.822 19.000 0.141 0.000 1.038 243 A HN 1.099 nan 8.150 nan 0.000 0.510 244 G N 0.299 109.151 108.800 0.085 0.000 2.526 244 G HA2 0.101 4.061 3.960 0.000 0.000 0.307 244 G HA3 0.101 4.061 3.960 0.000 0.000 0.307 244 G C 0.197 175.153 174.900 0.094 0.000 0.456 244 G CA 1.127 46.276 45.100 0.082 0.000 1.625 244 G HN 0.830 nan 8.290 nan 0.000 0.392 245 K N 2.918 123.413 120.400 0.159 0.000 2.449 245 K HA 0.258 4.578 4.320 0.000 0.000 0.257 245 K C -2.101 174.607 176.600 0.179 0.000 0.989 245 K CA -1.806 54.564 56.287 0.138 0.000 0.916 245 K CB 2.399 34.968 32.500 0.114 0.000 1.136 245 K HN 0.190 nan 8.250 nan 0.000 0.439 246 P HA -0.138 nan 4.420 nan 0.000 0.268 246 P C -0.793 176.591 177.300 0.139 0.000 1.189 246 P CA -0.247 62.915 63.100 0.102 0.000 0.771 246 P CB 0.625 32.363 31.700 0.064 0.000 0.822 247 L N 2.495 123.793 121.223 0.125 0.000 2.342 247 L HA 0.599 4.939 4.340 0.000 0.000 0.271 247 L C -1.171 175.743 176.870 0.073 0.000 1.008 247 L CA -1.068 53.852 54.840 0.133 0.000 0.818 247 L CB 1.603 43.733 42.059 0.119 0.000 1.296 247 L HN 0.221 nan 8.230 nan 0.000 0.427 248 L N 5.261 126.529 121.223 0.074 0.000 2.325 248 L HA 0.615 4.955 4.340 0.000 0.000 0.281 248 L C -1.247 175.646 176.870 0.038 0.000 1.004 248 L CA -0.192 54.667 54.840 0.033 0.000 0.823 248 L CB 1.258 43.345 42.059 0.047 0.000 1.236 248 L HN 0.422 nan 8.230 nan 0.000 0.415 249 I N 6.908 127.482 120.570 0.006 0.000 2.339 249 I HA 0.359 4.529 4.170 0.000 0.000 0.290 249 I C -0.277 175.855 176.117 0.025 0.000 0.994 249 I CA -0.253 61.057 61.300 0.017 0.000 1.191 249 I CB 1.273 39.279 38.000 0.011 0.000 1.343 249 I HN 0.564 nan 8.210 nan 0.000 0.458 250 I N 5.708 126.298 120.570 0.033 0.000 2.410 250 I HA 0.650 4.820 4.170 0.000 0.000 0.286 250 I C -0.020 176.103 176.117 0.010 0.000 1.009 250 I CA -0.234 61.086 61.300 0.032 0.000 1.111 250 I CB 1.806 39.822 38.000 0.026 0.000 1.262 250 I HN 0.708 nan 8.210 nan 0.000 0.443 251 A N 4.498 127.326 122.820 0.014 0.000 2.593 251 A HA 0.382 4.702 4.320 0.000 0.000 0.290 251 A C 0.652 178.246 177.584 0.016 0.000 1.126 251 A CA -0.560 51.483 52.037 0.010 0.000 0.695 251 A CB 1.422 20.433 19.000 0.018 0.000 1.290 251 A HN 0.753 nan 8.150 nan 0.000 0.414 252 E N -0.470 119.739 120.200 0.016 0.000 2.208 252 E HA -0.193 4.157 4.350 0.000 0.000 0.202 252 E C -0.071 176.552 176.600 0.038 0.000 1.014 252 E CA 2.061 58.477 56.400 0.026 0.000 0.819 252 E CB 0.073 29.790 29.700 0.028 0.000 0.735 252 E HN 0.630 nan 8.360 nan 0.000 0.469 253 D N -2.676 117.747 120.400 0.039 0.000 2.983 253 D HA 0.092 4.732 4.640 0.000 0.000 0.269 253 D C -2.053 174.278 176.300 0.051 0.000 1.121 253 D CA -0.413 53.616 54.000 0.049 0.000 0.724 253 D CB 1.202 42.031 40.800 0.048 0.000 1.381 253 D HN -0.119 nan 8.370 nan 0.000 0.442 254 V N 2.143 122.095 119.914 0.064 0.000 2.483 254 V HA 0.502 4.622 4.120 0.000 0.000 0.297 254 V C -0.377 175.763 176.094 0.076 0.000 1.027 254 V CA -0.599 61.743 62.300 0.070 0.000 0.855 254 V CB 1.607 33.483 31.823 0.088 0.000 0.995 254 V HN 0.428 nan 8.190 nan 0.000 0.424 255 E N 2.646 122.882 120.200 0.061 0.000 2.202 255 E HA 0.522 4.872 4.350 0.000 0.000 0.272 255 E C 1.264 177.894 176.600 0.050 0.000 0.951 255 E CA -0.211 56.222 56.400 0.055 0.000 0.813 255 E CB 1.964 31.689 29.700 0.042 0.000 1.151 255 E HN 0.715 nan 8.360 nan 0.000 0.398 256 G N 2.520 111.347 108.800 0.046 0.000 3.359 256 G HA2 -0.476 3.484 3.960 0.000 0.000 0.338 256 G HA3 -0.476 3.484 3.960 0.000 0.000 0.338 256 G C 1.282 176.198 174.900 0.026 0.000 1.486 256 G CA 1.672 46.792 45.100 0.034 0.000 1.570 256 G HN 0.668 nan 8.290 nan 0.000 1.093 257 E N 1.138 121.352 120.200 0.022 0.000 2.012 257 E HA -0.153 4.197 4.350 0.000 0.000 0.211 257 E C 2.974 179.586 176.600 0.020 0.000 1.029 257 E CA 1.969 58.379 56.400 0.016 0.000 0.867 257 E CB -0.953 28.756 29.700 0.015 0.000 0.790 257 E HN 0.592 nan 8.360 nan 0.000 0.482 258 A N 0.645 123.482 122.820 0.029 0.000 2.121 258 A HA -0.121 4.199 4.320 0.000 0.000 0.218 258 A C 2.132 179.750 177.584 0.058 0.000 1.154 258 A CA 1.249 53.309 52.037 0.038 0.000 0.679 258 A CB -0.410 18.613 19.000 0.039 0.000 0.795 258 A HN 0.351 nan 8.150 nan 0.000 0.458 259 L N -0.514 120.748 121.223 0.066 0.000 2.049 259 L HA 0.155 4.495 4.340 0.000 0.000 0.203 259 L C 2.540 179.446 176.870 0.061 0.000 1.074 259 L CA 2.187 57.089 54.840 0.102 0.000 0.749 259 L CB -1.069 41.056 42.059 0.110 0.000 0.907 259 L HN 0.249 nan 8.230 nan 0.000 0.439 260 A N -1.483 121.347 122.820 0.016 0.000 2.015 260 A HA -0.155 4.165 4.320 0.000 0.000 0.219 260 A C 2.197 179.747 177.584 -0.058 0.000 1.163 260 A CA 1.991 54.003 52.037 -0.041 0.000 0.646 260 A CB -1.176 17.801 19.000 -0.038 0.000 0.806 260 A HN 0.527 nan 8.150 nan 0.000 0.448 261 T N 0.358 114.900 114.554 -0.019 0.000 2.833 261 T HA -0.072 4.278 4.350 0.000 0.000 0.269 261 T C 1.690 176.381 174.700 -0.015 0.000 1.054 261 T CA 1.450 63.539 62.100 -0.018 0.000 1.135 261 T CB -0.290 68.581 68.868 0.004 0.000 0.869 261 T HN 0.415 nan 8.240 nan 0.000 0.466 262 L N 0.450 121.684 121.223 0.018 0.000 2.162 262 L HA 0.042 4.382 4.340 0.000 0.000 0.205 262 L C 2.494 179.324 176.870 -0.067 0.000 1.086 262 L CA 0.517 55.393 54.840 0.059 0.000 0.778 262 L CB -0.503 41.688 42.059 0.219 0.000 0.928 262 L HN 0.106 nan 8.230 nan 0.000 0.446 263 V N -0.508 119.277 119.914 -0.215 0.000 2.828 263 V HA -0.214 3.906 4.120 0.000 0.000 0.260 263 V C 2.286 178.173 176.094 -0.345 0.000 1.101 263 V CA 1.031 63.050 62.300 -0.469 0.000 1.123 263 V CB -0.489 31.061 31.823 -0.455 0.000 0.704 263 V HN 0.189 nan 8.190 nan 0.000 0.493 264 V N 0.554 120.342 119.914 -0.210 0.000 2.249 264 V HA -0.194 3.926 4.120 0.000 0.000 0.239 264 V C 2.064 178.091 176.094 -0.113 0.000 1.038 264 V CA 2.237 64.438 62.300 -0.166 0.000 1.005 264 V CB -0.803 30.954 31.823 -0.110 0.000 0.646 264 V HN 0.566 nan 8.190 nan 0.000 0.455 265 N N 0.540 119.203 118.700 -0.061 0.000 2.322 265 N HA -0.200 4.540 4.740 0.000 0.000 0.189 265 N C 1.535 177.037 175.510 -0.013 0.000 1.012 265 N CA 1.685 54.721 53.050 -0.024 0.000 0.880 265 N CB -0.158 38.334 38.487 0.008 0.000 0.967 265 N HN 0.706 nan 8.380 nan 0.000 0.439 266 T N -2.652 111.884 114.554 -0.030 0.000 3.129 266 T HA 0.142 4.492 4.350 0.000 0.000 0.251 266 T C 1.466 176.150 174.700 -0.026 0.000 1.117 266 T CA 0.232 62.333 62.100 0.001 0.000 1.034 266 T CB 0.240 69.124 68.868 0.027 0.000 0.968 266 T HN -0.002 nan 8.240 nan 0.000 0.526 267 M N 0.286 119.848 119.600 -0.063 0.000 2.730 267 M HA 0.454 4.934 4.480 0.000 0.000 0.258 267 M C 1.973 178.249 176.300 -0.040 0.000 1.279 267 M CA 0.510 55.775 55.300 -0.059 0.000 1.183 267 M CB 0.402 32.934 32.600 -0.113 0.000 1.291 267 M HN -0.027 nan 8.290 nan 0.000 0.518 268 R N -0.172 120.303 120.500 -0.042 0.000 2.319 268 R HA 0.246 4.586 4.340 0.000 0.000 0.204 268 R C 1.058 177.350 176.300 -0.013 0.000 0.954 268 R CA 0.654 56.736 56.100 -0.029 0.000 1.066 268 R CB -0.323 29.958 30.300 -0.032 0.000 0.991 268 R HN 0.592 nan 8.270 nan 0.000 0.486 269 G N 1.797 110.593 108.800 -0.006 0.000 2.205 269 G HA2 -0.303 3.657 3.960 0.000 0.000 0.269 269 G HA3 -0.303 3.657 3.960 0.000 0.000 0.269 269 G C 0.398 175.306 174.900 0.012 0.000 0.977 269 G CA 0.322 45.427 45.100 0.007 0.000 0.652 269 G HN 0.377 nan 8.290 nan 0.000 0.539 270 I N 1.389 121.964 120.570 0.007 0.000 2.352 270 I HA 0.343 4.513 4.170 0.000 0.000 0.303 270 I C 0.679 176.809 176.117 0.023 0.000 1.194 270 I CA -0.281 61.026 61.300 0.011 0.000 1.518 270 I CB -0.022 37.981 38.000 0.004 0.000 1.489 270 I HN 0.091 nan 8.210 nan 0.000 0.702 271 V N 4.847 124.780 119.914 0.032 0.000 3.418 271 V HA -0.217 3.903 4.120 0.000 0.000 0.479 271 V C 0.260 176.391 176.094 0.063 0.000 0.682 271 V CA 0.221 62.550 62.300 0.047 0.000 2.011 271 V CB -1.188 30.661 31.823 0.045 0.000 2.457 271 V HN 0.969 nan 8.190 nan 0.000 0.501 272 K N 4.986 125.430 120.400 0.073 0.000 2.211 272 K HA 0.847 5.167 4.320 0.000 0.000 0.275 272 K C -0.340 176.331 176.600 0.119 0.000 1.024 272 K CA -0.497 55.849 56.287 0.099 0.000 0.887 272 K CB 2.430 34.981 32.500 0.086 0.000 1.084 272 K HN 1.007 nan 8.250 nan 0.000 0.463 273 V N -1.645 118.372 119.914 0.172 0.000 3.156 273 V HA 0.957 5.077 4.120 0.000 0.000 0.310 273 V C -1.162 175.014 176.094 0.136 0.000 1.234 273 V CA -1.061 61.320 62.300 0.135 0.000 1.065 273 V CB 1.492 33.385 31.823 0.116 0.000 1.088 273 V HN 1.045 nan 8.190 nan 0.000 0.451 274 A N -0.057 122.671 122.820 -0.153 0.000 2.555 274 A HA 1.011 5.331 4.320 0.000 0.000 0.297 274 A C -0.606 176.656 177.584 -0.537 0.000 1.060 274 A CA -0.069 51.502 52.037 -0.777 0.000 0.710 274 A CB 1.303 20.016 19.000 -0.479 0.000 1.282 274 A HN 2.538 nan 8.150 nan 0.000 0.399 275 A N 0.891 123.295 122.820 -0.694 0.000 2.401 275 A HA 0.923 5.243 4.320 0.000 0.000 0.310 275 A C -0.352 177.140 177.584 -0.153 0.000 1.075 275 A CA -0.109 51.779 52.037 -0.249 0.000 0.746 275 A CB 1.478 20.415 19.000 -0.105 0.000 1.277 275 A HN 2.305 nan 8.150 nan 0.000 0.425 276 V N -1.066 118.839 119.914 -0.015 0.000 2.962 276 V HA 0.660 4.780 4.120 0.000 0.000 0.313 276 V C -0.321 175.831 176.094 0.097 0.000 1.099 276 V CA -1.151 61.185 62.300 0.060 0.000 0.971 276 V CB 1.547 33.430 31.823 0.099 0.000 1.028 276 V HN 0.961 nan 8.190 nan 0.000 0.430 277 K N 2.226 122.687 120.400 0.102 0.000 2.368 277 K HA 0.629 4.949 4.320 0.000 0.000 0.282 277 K C 0.596 177.252 176.600 0.094 0.000 1.035 277 K CA 0.356 56.695 56.287 0.087 0.000 0.973 277 K CB 0.979 33.526 32.500 0.077 0.000 0.957 277 K HN 1.260 nan 8.250 nan 0.000 0.474 278 A N 5.725 128.564 122.820 0.032 0.000 2.577 278 A HA 0.112 4.432 4.320 0.000 0.000 0.233 278 A C -2.128 175.432 177.584 -0.040 0.000 1.076 278 A CA -0.687 51.317 52.037 -0.055 0.000 0.767 278 A CB -0.470 18.494 19.000 -0.059 0.000 1.017 278 A HN 0.635 nan 8.150 nan 0.000 0.511 279 P HA 0.409 nan 4.420 nan 0.000 0.279 279 P C 0.691 177.995 177.300 0.007 0.000 1.239 279 P CA 1.274 64.334 63.100 -0.066 0.000 0.789 279 P CB 0.791 32.342 31.700 -0.249 0.000 0.933 280 G N 2.555 111.412 108.800 0.095 0.000 2.633 280 G HA2 -0.120 3.840 3.960 0.000 0.000 0.263 280 G HA3 -0.120 3.840 3.960 0.000 0.000 0.263 280 G C -0.747 174.318 174.900 0.274 0.000 1.310 280 G CA 0.314 45.524 45.100 0.184 0.000 0.914 280 G HN 0.776 nan 8.290 nan 0.000 0.569 281 F N -2.331 117.624 119.950 0.007 0.000 2.686 281 F HA 0.800 5.327 4.527 -0.000 0.000 0.311 281 F C 0.698 176.504 175.800 0.010 0.000 1.128 281 F CA 0.202 58.207 58.000 0.008 0.000 0.946 281 F CB 1.085 40.095 39.000 0.016 0.000 1.336 281 F HN 2.564 nan 8.300 nan 0.000 0.457 282 G N 1.636 110.341 108.800 -0.159 0.000 2.642 282 G HA2 -0.225 3.735 3.960 0.000 0.000 0.231 282 G HA3 -0.225 3.735 3.960 0.000 0.000 0.231 282 G C 0.031 174.821 174.900 -0.183 0.000 1.338 282 G CA 0.152 45.093 45.100 -0.266 0.000 0.883 282 G HN 0.918 nan 8.290 nan 0.000 0.570 283 D N 0.356 120.653 120.400 -0.170 0.000 2.265 283 D HA -0.078 4.562 4.640 0.000 0.000 0.208 283 D C 2.511 178.741 176.300 -0.118 0.000 0.977 283 D CA 1.431 55.363 54.000 -0.112 0.000 0.871 283 D CB -0.055 40.690 40.800 -0.091 0.000 0.925 283 D HN 0.534 nan 8.370 nan 0.000 0.485 284 R N 0.441 120.840 120.500 -0.168 0.000 2.057 284 R HA 0.048 4.388 4.340 0.000 0.000 0.229 284 R C 2.424 178.658 176.300 -0.110 0.000 1.136 284 R CA 0.415 56.430 56.100 -0.141 0.000 0.952 284 R CB -0.227 29.967 30.300 -0.175 0.000 0.848 284 R HN 0.030 nan 8.270 nan 0.000 0.430 285 R N 1.873 122.309 120.500 -0.106 0.000 2.103 285 R HA -0.199 4.141 4.340 0.000 0.000 0.242 285 R C 1.760 178.017 176.300 -0.072 0.000 1.142 285 R CA 1.867 57.926 56.100 -0.068 0.000 0.960 285 R CB -0.062 30.225 30.300 -0.022 0.000 0.858 285 R HN 0.161 nan 8.270 nan 0.000 0.439 286 K N -0.401 119.960 120.400 -0.065 0.000 2.063 286 K HA -0.124 4.196 4.320 0.000 0.000 0.208 286 K C 2.072 178.637 176.600 -0.059 0.000 1.048 286 K CA 1.572 57.827 56.287 -0.054 0.000 0.928 286 K CB -0.133 32.339 32.500 -0.046 0.000 0.713 286 K HN 0.247 nan 8.250 nan 0.000 0.442 287 A N 0.980 123.761 122.820 -0.066 0.000 1.929 287 A HA -0.079 4.241 4.320 0.000 0.000 0.216 287 A C 2.076 179.619 177.584 -0.068 0.000 1.176 287 A CA 1.113 53.113 52.037 -0.061 0.000 0.628 287 A CB -0.344 18.619 19.000 -0.063 0.000 0.816 287 A HN 0.154 nan 8.150 nan 0.000 0.444 288 M N -0.507 119.044 119.600 -0.083 0.000 2.213 288 M HA -0.071 4.409 4.480 0.000 0.000 0.263 288 M C 2.026 178.254 176.300 -0.120 0.000 1.062 288 M CA 1.055 56.294 55.300 -0.101 0.000 1.105 288 M CB -0.472 32.056 32.600 -0.120 0.000 1.385 288 M HN 0.384 nan 8.290 nan 0.000 0.417 289 L N -0.225 120.931 121.223 -0.112 0.000 2.017 289 L HA -0.249 4.091 4.340 0.000 0.000 0.208 289 L C 2.630 179.456 176.870 -0.074 0.000 1.073 289 L CA 1.390 56.165 54.840 -0.108 0.000 0.745 289 L CB -0.626 41.385 42.059 -0.081 0.000 0.894 289 L HN 0.290 nan 8.230 nan 0.000 0.432 290 Q N 0.449 120.215 119.800 -0.057 0.000 2.135 290 Q HA -0.235 4.105 4.340 0.000 0.000 0.204 290 Q C 1.546 177.524 176.000 -0.037 0.000 0.981 290 Q CA 1.956 57.735 55.803 -0.040 0.000 0.856 290 Q CB -0.169 28.549 28.738 -0.035 0.000 0.902 290 Q HN 0.415 nan 8.270 nan 0.000 0.425 291 D N -0.410 119.962 120.400 -0.047 0.000 2.087 291 D HA -0.162 4.478 4.640 0.000 0.000 0.192 291 D C 1.790 178.072 176.300 -0.029 0.000 0.993 291 D CA 1.665 55.643 54.000 -0.037 0.000 0.828 291 D CB -0.299 40.474 40.800 -0.045 0.000 0.968 291 D HN 0.322 nan 8.370 nan 0.000 0.448 292 I N 0.857 121.399 120.570 -0.047 0.000 2.194 292 I HA -0.329 3.841 4.170 0.000 0.000 0.246 292 I C 2.369 178.482 176.117 -0.006 0.000 1.093 292 I CA 1.157 62.441 61.300 -0.027 0.000 1.355 292 I CB -0.338 37.620 38.000 -0.069 0.000 1.046 292 I HN -0.024 nan 8.210 nan 0.000 0.413 293 A N 0.422 123.233 122.820 -0.015 0.000 1.877 293 A HA -0.217 4.103 4.320 0.000 0.000 0.216 293 A C 2.400 179.987 177.584 0.005 0.000 1.186 293 A CA 2.557 54.593 52.037 -0.002 0.000 0.620 293 A CB -1.111 17.884 19.000 -0.008 0.000 0.822 293 A HN 0.376 nan 8.150 nan 0.000 0.443 294 T N 0.410 114.963 114.554 -0.002 0.000 2.674 294 T HA -0.122 4.228 4.350 0.000 0.000 0.265 294 T C 1.828 176.531 174.700 0.006 0.000 1.039 294 T CA 1.290 63.391 62.100 0.001 0.000 1.150 294 T CB -0.381 68.485 68.868 -0.004 0.000 0.864 294 T HN 0.307 nan 8.240 nan 0.000 0.427 295 L N 2.050 123.277 121.223 0.007 0.000 2.261 295 L HA -0.079 4.261 4.340 0.000 0.000 0.216 295 L C 1.831 178.712 176.870 0.018 0.000 1.114 295 L CA 2.129 56.976 54.840 0.012 0.000 0.777 295 L CB -1.135 40.935 42.059 0.017 0.000 0.910 295 L HN 0.482 nan 8.230 nan 0.000 0.440 296 T N -3.721 110.846 114.554 0.022 0.000 3.182 296 T HA 0.374 4.724 4.350 0.000 0.000 0.277 296 T C 0.873 175.592 174.700 0.032 0.000 1.013 296 T CA 0.141 62.258 62.100 0.027 0.000 0.900 296 T CB -0.211 68.681 68.868 0.039 0.000 1.098 296 T HN 0.513 nan 8.240 nan 0.000 0.543 297 G N 0.014 108.829 108.800 0.026 0.000 2.402 297 G HA2 0.370 4.330 3.960 0.000 0.000 0.206 297 G HA3 0.370 4.330 3.960 0.000 0.000 0.206 297 G C 0.269 175.195 174.900 0.044 0.000 0.637 297 G CA -0.135 44.983 45.100 0.030 0.000 0.974 297 G HN 1.623 nan 8.290 nan 0.000 0.308 298 G N 0.265 109.085 108.800 0.034 0.000 2.317 298 G HA2 0.961 4.921 3.960 0.000 0.000 0.293 298 G HA3 0.961 4.921 3.960 0.000 0.000 0.293 298 G C -0.485 174.427 174.900 0.019 0.000 1.287 298 G CA 0.524 45.645 45.100 0.036 0.000 0.850 298 G HN 2.171 nan 8.290 nan 0.000 0.515 299 T N -2.104 112.459 114.554 0.014 0.000 2.903 299 T HA 0.748 5.098 4.350 0.000 0.000 0.299 299 T C 0.114 174.814 174.700 -0.000 0.000 1.093 299 T CA -0.188 61.914 62.100 0.004 0.000 1.002 299 T CB 1.360 70.228 68.868 0.001 0.000 1.127 299 T HN 1.856 nan 8.240 nan 0.000 0.488 300 V N 0.010 119.920 119.914 -0.006 0.000 2.775 300 V HA 0.595 4.715 4.120 0.000 0.000 0.299 300 V C -0.080 176.008 176.094 -0.009 0.000 1.062 300 V CA -0.799 61.495 62.300 -0.010 0.000 1.063 300 V CB 0.125 31.937 31.823 -0.018 0.000 0.994 300 V HN 0.891 nan 8.190 nan 0.000 0.483 301 I N 4.407 124.972 120.570 -0.008 0.000 2.388 301 I HA 0.410 4.580 4.170 0.000 0.000 0.281 301 I C 0.144 176.256 176.117 -0.007 0.000 1.046 301 I CA -0.046 61.250 61.300 -0.007 0.000 1.187 301 I CB 1.211 39.207 38.000 -0.007 0.000 1.351 301 I HN 0.877 nan 8.210 nan 0.000 0.472 302 S N 2.667 118.362 115.700 -0.008 0.000 2.482 302 S HA 0.406 4.876 4.470 0.000 0.000 0.303 302 S C 0.546 175.144 174.600 -0.005 0.000 1.091 302 S CA -0.855 57.341 58.200 -0.007 0.000 1.057 302 S CB 2.107 65.302 63.200 -0.010 0.000 1.031 302 S HN 0.584 nan 8.310 nan 0.000 0.485 303 E N 1.586 121.785 120.200 -0.003 0.000 2.204 303 E HA -0.172 4.178 4.350 0.000 0.000 0.195 303 E C 1.180 177.779 176.600 -0.002 0.000 0.990 303 E CA 1.109 57.508 56.400 -0.001 0.000 0.821 303 E CB -0.176 29.524 29.700 0.001 0.000 0.750 303 E HN 0.806 nan 8.360 nan 0.000 0.477 304 E N 0.225 120.423 120.200 -0.003 0.000 2.339 304 E HA -0.180 4.170 4.350 0.000 0.000 0.201 304 E C 0.860 177.457 176.600 -0.005 0.000 1.015 304 E CA 0.737 57.135 56.400 -0.004 0.000 0.841 304 E CB -0.028 29.668 29.700 -0.007 0.000 0.754 304 E HN 0.378 nan 8.360 nan 0.000 0.508 305 I N -0.909 119.658 120.570 -0.005 0.000 3.171 305 I HA 0.192 4.362 4.170 0.000 0.000 0.329 305 I C 0.914 177.029 176.117 -0.004 0.000 1.522 305 I CA -0.131 61.166 61.300 -0.005 0.000 0.948 305 I CB 0.919 38.915 38.000 -0.006 0.000 1.527 305 I HN 0.107 nan 8.210 nan 0.000 0.547 306 G N 1.677 110.475 108.800 -0.003 0.000 2.302 306 G HA2 -0.343 3.617 3.960 0.000 0.000 0.263 306 G HA3 -0.343 3.617 3.960 0.000 0.000 0.263 306 G C 0.578 175.476 174.900 -0.004 0.000 0.995 306 G CA 0.129 45.227 45.100 -0.003 0.000 0.622 306 G HN 0.396 nan 8.290 nan 0.000 0.538 307 M N 1.337 120.934 119.600 -0.004 0.000 2.261 307 M HA 0.248 4.728 4.480 0.000 0.000 0.350 307 M C 0.644 176.941 176.300 -0.005 0.000 1.343 307 M CA 1.070 56.367 55.300 -0.005 0.000 1.003 307 M CB 0.230 32.827 32.600 -0.006 0.000 1.848 307 M HN 0.314 nan 8.290 nan 0.000 0.456 308 E N 2.351 122.547 120.200 -0.005 0.000 2.299 308 E HA 0.301 4.651 4.350 0.000 0.000 0.260 308 E C 0.346 176.942 176.600 -0.007 0.000 0.944 308 E CA -0.714 55.683 56.400 -0.005 0.000 0.815 308 E CB 1.648 31.346 29.700 -0.004 0.000 1.252 308 E HN 0.667 nan 8.360 nan 0.000 0.418 309 L N 1.049 122.268 121.223 -0.006 0.000 2.465 309 L HA -0.129 4.211 4.340 0.000 0.000 0.224 309 L C 1.505 178.367 176.870 -0.013 0.000 1.145 309 L CA 0.841 55.675 54.840 -0.009 0.000 0.834 309 L CB -0.197 41.859 42.059 -0.005 0.000 0.944 309 L HN 0.458 nan 8.230 nan 0.000 0.451 310 E N 0.326 120.520 120.200 -0.011 0.000 2.122 310 E HA -0.067 4.283 4.350 0.000 0.000 0.190 310 E C 1.240 177.831 176.600 -0.016 0.000 0.977 310 E CA 0.712 57.104 56.400 -0.014 0.000 0.820 310 E CB 0.057 29.751 29.700 -0.010 0.000 0.770 310 E HN 0.228 nan 8.360 nan 0.000 0.462 311 K N 0.645 121.037 120.400 -0.013 0.000 2.836 311 K HA 0.267 4.587 4.320 0.000 0.000 0.236 311 K C -0.442 176.148 176.600 -0.016 0.000 1.015 311 K CA 0.021 56.300 56.287 -0.013 0.000 1.194 311 K CB 0.223 32.717 32.500 -0.010 0.000 1.002 311 K HN -0.037 nan 8.250 nan 0.000 0.479 312 A N 1.072 123.878 122.820 -0.022 0.000 2.340 312 A HA 0.278 4.598 4.320 0.000 0.000 0.297 312 A C 0.719 178.279 177.584 -0.040 0.000 1.195 312 A CA -0.815 51.206 52.037 -0.028 0.000 0.769 312 A CB 0.567 19.550 19.000 -0.028 0.000 1.163 312 A HN 0.270 nan 8.150 nan 0.000 0.472 313 T N 0.870 115.400 114.554 -0.040 0.000 5.570 313 T HA 0.215 4.565 4.350 0.000 0.000 0.280 313 T C 1.184 175.833 174.700 -0.084 0.000 0.813 313 T CA 1.172 63.241 62.100 -0.051 0.000 1.702 313 T CB -0.213 68.633 68.868 -0.036 0.000 1.406 313 T HN 0.342 nan 8.240 nan 0.000 0.284 314 L N -0.559 120.610 121.223 -0.089 0.000 2.730 314 L HA 0.374 4.714 4.340 0.000 0.000 0.236 314 L C 2.543 179.363 176.870 -0.083 0.000 1.061 314 L CA 0.230 54.978 54.840 -0.153 0.000 0.898 314 L CB 0.086 42.036 42.059 -0.181 0.000 1.270 314 L HN 0.445 nan 8.230 nan 0.000 0.500 315 E N 0.553 120.738 120.200 -0.025 0.000 2.418 315 E HA -0.179 4.171 4.350 0.000 0.000 0.197 315 E C 1.334 177.942 176.600 0.014 0.000 1.026 315 E CA 0.910 57.320 56.400 0.017 0.000 0.862 315 E CB 0.043 29.754 29.700 0.019 0.000 0.799 315 E HN 0.301 nan 8.360 nan 0.000 0.518 316 D N -0.362 120.032 120.400 -0.009 0.000 2.269 316 D HA -0.068 4.572 4.640 0.000 0.000 0.208 316 D C 0.412 176.714 176.300 0.004 0.000 0.963 316 D CA 0.188 54.185 54.000 -0.005 0.000 0.864 316 D CB 0.087 40.877 40.800 -0.018 0.000 0.936 316 D HN 0.194 nan 8.370 nan 0.000 0.505 317 L N 0.587 121.807 121.223 -0.004 0.000 2.453 317 L HA 0.371 4.711 4.340 0.000 0.000 0.261 317 L C 0.905 177.844 176.870 0.115 0.000 1.179 317 L CA 0.035 54.890 54.840 0.025 0.000 0.813 317 L CB 1.149 43.165 42.059 -0.072 0.000 1.110 317 L HN -0.117 nan 8.230 nan 0.000 0.466 318 G N 1.613 110.499 108.800 0.144 0.000 2.502 318 G HA2 0.519 4.479 3.960 0.000 0.000 0.305 318 G HA3 0.519 4.479 3.960 0.000 0.000 0.305 318 G C -1.379 173.648 174.900 0.213 0.000 1.190 318 G CA -0.271 44.915 45.100 0.144 0.000 0.933 318 G HN 0.709 nan 8.290 nan 0.000 0.503 319 Q N -1.020 118.842 119.800 0.104 0.000 2.378 319 Q HA 0.539 4.879 4.340 0.000 0.000 0.262 319 Q C -1.480 174.500 176.000 -0.033 0.000 0.978 319 Q CA -0.732 55.072 55.803 0.001 0.000 0.918 319 Q CB 1.826 30.535 28.738 -0.049 0.000 1.415 319 Q HN 0.994 nan 8.270 nan 0.000 0.409 320 A N 2.812 125.594 122.820 -0.063 0.000 2.556 320 A HA 0.435 4.755 4.320 0.000 0.000 0.294 320 A C -0.294 177.249 177.584 -0.068 0.000 1.091 320 A CA -0.621 51.389 52.037 -0.044 0.000 0.704 320 A CB 1.850 20.844 19.000 -0.010 0.000 1.300 320 A HN 0.805 nan 8.150 nan 0.000 0.406 321 K N -0.463 119.906 120.400 -0.051 0.000 2.442 321 K HA 0.006 4.326 4.320 0.000 0.000 0.198 321 K C 0.387 176.960 176.600 -0.045 0.000 1.042 321 K CA 1.159 57.414 56.287 -0.053 0.000 0.958 321 K CB -0.006 32.472 32.500 -0.038 0.000 0.766 321 K HN 0.596 nan 8.250 nan 0.000 0.474 322 R N -0.560 119.919 120.500 -0.035 0.000 3.513 322 R HA 0.070 4.410 4.340 0.000 0.000 0.243 322 R C -1.851 174.438 176.300 -0.019 0.000 1.033 322 R CA -0.514 55.571 56.100 -0.027 0.000 1.083 322 R CB 0.995 31.281 30.300 -0.022 0.000 1.246 322 R HN -0.042 nan 8.270 nan 0.000 0.526 323 V N 0.475 120.379 119.914 -0.016 0.000 2.914 323 V HA 0.946 5.066 4.120 0.000 0.000 0.314 323 V C -1.248 174.834 176.094 -0.020 0.000 1.084 323 V CA -0.629 61.661 62.300 -0.017 0.000 0.963 323 V CB 2.318 34.136 31.823 -0.008 0.000 1.025 323 V HN 0.441 nan 8.190 nan 0.000 0.432 324 V N 4.443 124.335 119.914 -0.037 0.000 2.610 324 V HA 0.543 4.663 4.120 0.000 0.000 0.298 324 V C -0.660 175.406 176.094 -0.047 0.000 1.067 324 V CA -0.142 62.142 62.300 -0.026 0.000 0.894 324 V CB 1.567 33.377 31.823 -0.023 0.000 1.015 324 V HN 0.866 nan 8.190 nan 0.000 0.432 325 I N 6.134 126.700 120.570 -0.006 0.000 2.418 325 I HA 0.521 4.691 4.170 0.000 0.000 0.287 325 I C 0.056 176.236 176.117 0.106 0.000 1.008 325 I CA -0.385 60.917 61.300 0.003 0.000 1.104 325 I CB 1.828 39.847 38.000 0.032 0.000 1.264 325 I HN 0.794 nan 8.210 nan 0.000 0.438 326 N N 5.998 124.716 118.700 0.030 0.000 3.040 326 N HA 0.256 4.996 4.740 0.000 0.000 0.339 326 N C 0.725 176.064 175.510 -0.284 0.000 1.387 326 N CA -0.727 52.373 53.050 0.084 0.000 0.745 326 N CB 0.756 39.263 38.487 0.034 0.000 1.237 326 N HN 0.442 nan 8.380 nan 0.000 0.565 327 K N -0.401 119.801 120.400 -0.330 0.000 2.147 327 K HA -0.151 4.169 4.320 0.000 0.000 0.205 327 K C -0.525 175.738 176.600 -0.562 0.000 1.049 327 K CA 2.205 58.053 56.287 -0.733 0.000 0.936 327 K CB -0.191 32.177 32.500 -0.221 0.000 0.722 327 K HN 0.705 nan 8.250 nan 0.000 0.446 328 D N -1.214 119.003 120.400 -0.306 0.000 2.914 328 D HA 0.118 4.758 4.640 0.000 0.000 0.349 328 D C -1.126 175.086 176.300 -0.146 0.000 1.540 328 D CA -0.466 53.415 54.000 -0.199 0.000 0.778 328 D CB 0.962 41.691 40.800 -0.119 0.000 1.213 328 D HN -0.158 nan 8.370 nan 0.000 0.451 329 T N -0.047 114.397 114.554 -0.183 0.000 3.395 329 T HA 0.435 4.785 4.350 0.000 0.000 0.330 329 T C -0.974 173.566 174.700 -0.267 0.000 1.076 329 T CA -0.449 61.538 62.100 -0.188 0.000 1.070 329 T CB 1.871 70.668 68.868 -0.118 0.000 1.119 329 T HN -0.074 nan 8.240 nan 0.000 0.462 330 T N 2.577 116.836 114.554 -0.492 0.000 2.824 330 T HA 0.700 5.050 4.350 0.000 0.000 0.280 330 T C -0.130 174.195 174.700 -0.625 0.000 0.995 330 T CA -0.573 61.150 62.100 -0.630 0.000 1.009 330 T CB 1.480 69.686 68.868 -1.104 0.000 0.955 330 T HN 0.635 nan 8.240 nan 0.000 0.452 331 T N 3.578 117.935 114.554 -0.327 0.000 3.050 331 T HA 0.533 4.883 4.350 0.000 0.000 0.310 331 T C -0.515 174.130 174.700 -0.091 0.000 0.978 331 T CA -0.689 61.297 62.100 -0.190 0.000 1.013 331 T CB -0.054 68.741 68.868 -0.123 0.000 1.000 331 T HN 0.482 nan 8.240 nan 0.000 0.447 332 I N 5.743 126.296 120.570 -0.029 0.000 2.441 332 I HA 0.420 4.590 4.170 0.000 0.000 0.287 332 I C 0.002 176.123 176.117 0.006 0.000 1.049 332 I CA -0.704 60.605 61.300 0.015 0.000 1.381 332 I CB 1.096 39.142 38.000 0.077 0.000 1.409 332 I HN 0.568 nan 8.210 nan 0.000 0.523 333 I N 5.657 126.225 120.570 -0.003 0.000 2.389 333 I HA 0.263 4.433 4.170 0.000 0.000 0.288 333 I C -0.644 175.468 176.117 -0.008 0.000 0.999 333 I CA -0.575 60.720 61.300 -0.007 0.000 1.129 333 I CB 1.417 39.408 38.000 -0.015 0.000 1.288 333 I HN 0.589 nan 8.210 nan 0.000 0.444 334 D N 4.921 125.318 120.400 -0.005 0.000 4.844 334 D HA -0.111 4.529 4.640 0.000 0.000 0.239 334 D C -0.254 176.041 176.300 -0.007 0.000 1.115 334 D CA 0.875 54.871 54.000 -0.008 0.000 1.241 334 D CB 0.133 40.925 40.800 -0.014 0.000 0.748 334 D HN 0.852 nan 8.370 nan 0.000 0.368 335 G N 1.779 110.578 108.800 -0.000 0.000 2.371 335 G HA2 0.483 4.443 3.960 0.000 0.000 0.326 335 G HA3 0.483 4.443 3.960 0.000 0.000 0.326 335 G C 1.216 176.115 174.900 -0.001 0.000 1.127 335 G CA -0.536 44.565 45.100 0.002 0.000 0.885 335 G HN 0.372 nan 8.290 nan 0.000 0.477 336 V N 2.228 122.140 119.914 -0.004 0.000 3.488 336 V HA 0.034 4.154 4.120 0.000 0.000 0.273 336 V C 1.937 178.035 176.094 0.006 0.000 1.209 336 V CA 0.591 62.890 62.300 -0.003 0.000 1.179 336 V CB -1.262 30.558 31.823 -0.004 0.000 0.842 336 V HN 0.753 nan 8.190 nan 0.000 0.515 337 G N 0.855 109.660 108.800 0.007 0.000 2.353 337 G HA2 0.124 4.084 3.960 0.000 0.000 0.239 337 G HA3 0.124 4.084 3.960 0.000 0.000 0.239 337 G C 0.045 174.948 174.900 0.005 0.000 1.295 337 G CA -0.365 44.741 45.100 0.008 0.000 0.884 337 G HN 0.334 nan 8.290 nan 0.000 0.537 338 E N 2.221 122.424 120.200 0.006 0.000 2.415 338 E HA -0.029 4.321 4.350 0.000 0.000 0.260 338 E C 1.335 177.936 176.600 0.002 0.000 1.016 338 E CA -0.070 56.333 56.400 0.004 0.000 0.924 338 E CB 0.741 30.444 29.700 0.004 0.000 0.961 338 E HN 0.616 nan 8.360 nan 0.000 0.459 339 E N 2.113 122.314 120.200 0.001 0.000 2.333 339 E HA -0.211 4.139 4.350 0.000 0.000 0.200 339 E C 1.274 177.874 176.600 -0.000 0.000 1.010 339 E CA 1.208 57.608 56.400 0.000 0.000 0.841 339 E CB -0.026 29.674 29.700 -0.001 0.000 0.757 339 E HN 0.505 nan 8.360 nan 0.000 0.508 340 A N 0.785 123.605 122.820 -0.000 0.000 2.063 340 A HA 0.389 4.709 4.320 0.000 0.000 0.211 340 A C 2.298 179.882 177.584 -0.001 0.000 1.177 340 A CA 0.765 52.801 52.037 -0.001 0.000 0.759 340 A CB 0.057 19.057 19.000 -0.000 0.000 0.857 340 A HN 0.239 nan 8.150 nan 0.000 0.468 341 A N 0.287 123.107 122.820 -0.000 0.000 1.898 341 A HA 0.076 4.396 4.320 0.000 0.000 0.214 341 A C 2.014 179.597 177.584 -0.002 0.000 1.183 341 A CA 1.208 53.245 52.037 -0.000 0.000 0.622 341 A CB -0.495 18.506 19.000 0.001 0.000 0.824 341 A HN 0.430 nan 8.150 nan 0.000 0.444 342 I N -0.698 119.872 120.570 -0.001 0.000 2.142 342 I HA -0.268 3.902 4.170 0.000 0.000 0.240 342 I C 2.721 178.836 176.117 -0.003 0.000 1.078 342 I CA 1.769 63.069 61.300 -0.002 0.000 1.343 342 I CB -0.341 37.659 38.000 0.000 0.000 1.046 342 I HN 0.355 nan 8.210 nan 0.000 0.405 343 Q N 1.492 121.290 119.800 -0.003 0.000 2.197 343 Q HA -0.166 4.174 4.340 0.000 0.000 0.207 343 Q C 1.981 177.978 176.000 -0.005 0.000 0.984 343 Q CA 2.072 57.873 55.803 -0.004 0.000 0.869 343 Q CB -0.737 27.999 28.738 -0.003 0.000 0.906 343 Q HN 0.509 nan 8.270 nan 0.000 0.426 344 G N -0.534 108.263 108.800 -0.005 0.000 2.448 344 G HA2 -0.231 3.728 3.960 0.000 0.000 0.218 344 G HA3 -0.231 3.728 3.960 0.000 0.000 0.218 344 G C 1.548 176.443 174.900 -0.007 0.000 1.135 344 G CA 0.626 45.723 45.100 -0.006 0.000 0.784 344 G HN 0.330 nan 8.290 nan 0.000 0.543 345 R N 0.405 120.900 120.500 -0.008 0.000 2.073 345 R HA 0.055 4.395 4.340 0.000 0.000 0.229 345 R C 2.439 178.732 176.300 -0.012 0.000 1.120 345 R CA 1.149 57.243 56.100 -0.011 0.000 0.967 345 R CB -0.871 29.422 30.300 -0.011 0.000 0.862 345 R HN 0.129 nan 8.270 nan 0.000 0.436 346 V N 1.376 121.284 119.914 -0.011 0.000 2.688 346 V HA -0.225 3.895 4.120 0.000 0.000 0.256 346 V C 2.270 178.357 176.094 -0.012 0.000 1.084 346 V CA 1.701 63.994 62.300 -0.012 0.000 1.103 346 V CB -1.007 30.811 31.823 -0.009 0.000 0.688 346 V HN 0.525 nan 8.190 nan 0.000 0.480 347 A N -0.494 122.319 122.820 -0.011 0.000 1.832 347 A HA -0.267 4.053 4.320 0.000 0.000 0.214 347 A C 2.196 179.773 177.584 -0.012 0.000 1.200 347 A CA 1.848 53.879 52.037 -0.010 0.000 0.610 347 A CB -0.544 18.451 19.000 -0.008 0.000 0.842 347 A HN 0.548 nan 8.150 nan 0.000 0.444 348 Q N -0.509 119.283 119.800 -0.013 0.000 2.077 348 Q HA -0.198 4.142 4.340 0.000 0.000 0.206 348 Q C 2.093 178.082 176.000 -0.018 0.000 0.989 348 Q CA 1.856 57.650 55.803 -0.015 0.000 0.853 348 Q CB -0.447 28.281 28.738 -0.016 0.000 0.907 348 Q HN 0.756 nan 8.270 nan 0.000 0.418 349 I N 0.108 120.666 120.570 -0.020 0.000 2.361 349 I HA -0.262 3.908 4.170 0.000 0.000 0.251 349 I C 2.198 178.301 176.117 -0.023 0.000 1.133 349 I CA 1.108 62.393 61.300 -0.024 0.000 1.413 349 I CB -0.235 37.749 38.000 -0.026 0.000 1.073 349 I HN 0.131 nan 8.210 nan 0.000 0.424 350 R N -0.003 120.486 120.500 -0.018 0.000 2.236 350 R HA -0.052 4.288 4.340 0.000 0.000 0.208 350 R C 2.219 178.510 176.300 -0.015 0.000 1.036 350 R CA 0.463 56.553 56.100 -0.016 0.000 1.001 350 R CB 0.068 30.360 30.300 -0.013 0.000 0.896 350 R HN 0.391 nan 8.270 nan 0.000 0.464 351 Q N 0.518 120.310 119.800 -0.015 0.000 2.061 351 Q HA -0.083 4.257 4.340 0.000 0.000 0.195 351 Q C 1.845 177.836 176.000 -0.015 0.000 0.967 351 Q CA 1.255 57.050 55.803 -0.013 0.000 0.829 351 Q CB 0.062 28.792 28.738 -0.012 0.000 0.900 351 Q HN 0.397 nan 8.270 nan 0.000 0.450 352 Q N 0.224 120.013 119.800 -0.019 0.000 2.368 352 Q HA -0.098 4.242 4.340 0.000 0.000 0.210 352 Q C 1.967 177.953 176.000 -0.023 0.000 0.982 352 Q CA 0.714 56.504 55.803 -0.021 0.000 0.884 352 Q CB -0.076 28.645 28.738 -0.027 0.000 0.933 352 Q HN 0.379 nan 8.270 nan 0.000 0.460 353 I N 0.315 120.871 120.570 -0.022 0.000 2.333 353 I HA -0.201 3.969 4.170 0.000 0.000 0.246 353 I C 2.068 178.175 176.117 -0.016 0.000 1.106 353 I CA 0.729 62.016 61.300 -0.022 0.000 1.411 353 I CB -0.106 37.881 38.000 -0.021 0.000 1.082 353 I HN 0.171 nan 8.210 nan 0.000 0.420 354 E N 1.274 121.466 120.200 -0.013 0.000 2.047 354 E HA -0.176 4.174 4.350 0.000 0.000 0.191 354 E C 1.218 177.814 176.600 -0.008 0.000 0.987 354 E CA 1.023 57.418 56.400 -0.009 0.000 0.799 354 E CB -0.365 29.330 29.700 -0.008 0.000 0.752 354 E HN 0.565 nan 8.360 nan 0.000 0.449 355 E N 0.969 121.164 120.200 -0.009 0.000 2.441 355 E HA 0.200 4.550 4.350 0.000 0.000 0.210 355 E C -0.331 176.264 176.600 -0.008 0.000 1.306 355 E CA -0.234 56.161 56.400 -0.008 0.000 1.307 355 E CB -0.017 29.677 29.700 -0.009 0.000 1.297 355 E HN 0.053 nan 8.360 nan 0.000 0.440 356 A N 1.522 124.338 122.820 -0.007 0.000 2.341 356 A HA 0.176 4.496 4.320 0.000 0.000 0.326 356 A C 0.832 178.417 177.584 0.003 0.000 1.402 356 A CA -0.776 51.257 52.037 -0.005 0.000 0.957 356 A CB 0.078 19.071 19.000 -0.011 0.000 1.151 356 A HN 0.200 nan 8.150 nan 0.000 0.533 357 T N -0.580 113.978 114.554 0.007 0.000 3.418 357 T HA 0.440 4.790 4.350 0.000 0.000 0.239 357 T C 0.335 175.047 174.700 0.020 0.000 0.905 357 T CA 0.352 62.458 62.100 0.011 0.000 0.929 357 T CB -0.750 68.124 68.868 0.010 0.000 1.121 357 T HN 0.818 nan 8.240 nan 0.000 0.608 358 S N -1.012 114.703 115.700 0.025 0.000 2.655 358 S HA 0.303 4.773 4.470 0.000 0.000 0.266 358 S C -0.582 174.044 174.600 0.042 0.000 1.149 358 S CA -0.478 57.747 58.200 0.042 0.000 0.818 358 S CB 1.428 64.668 63.200 0.067 0.000 1.130 358 S HN 0.265 nan 8.310 nan 0.000 0.476 359 D N -0.442 119.998 120.400 0.067 0.000 2.566 359 D HA -0.000 4.640 4.640 0.000 0.000 0.253 359 D C 1.584 177.933 176.300 0.083 0.000 0.992 359 D CA 0.547 54.584 54.000 0.061 0.000 0.940 359 D CB -0.249 40.589 40.800 0.063 0.000 1.095 359 D HN 0.526 nan 8.370 nan 0.000 0.480 360 Y N 2.409 122.710 120.300 0.002 0.000 2.081 360 Y HA -0.244 4.306 4.550 0.000 0.000 0.280 360 Y C 1.493 177.392 175.900 -0.001 0.000 1.163 360 Y CA 2.591 60.694 58.100 0.004 0.000 1.135 360 Y CB -0.661 37.803 38.460 0.006 0.000 0.970 360 Y HN -0.077 nan 8.280 nan 0.000 0.498 361 D N -0.460 119.934 120.400 -0.009 0.000 2.322 361 D HA -0.187 4.453 4.640 0.000 0.000 0.210 361 D C 2.147 178.368 176.300 -0.132 0.000 0.983 361 D CA 1.391 55.329 54.000 -0.104 0.000 0.902 361 D CB -0.186 40.618 40.800 0.007 0.000 0.905 361 D HN 0.404 nan 8.370 nan 0.000 0.483 362 R N 0.342 120.784 120.500 -0.096 0.000 2.055 362 R HA 0.011 4.351 4.340 0.000 0.000 0.221 362 R C 1.878 178.117 176.300 -0.102 0.000 1.154 362 R CA 0.583 56.638 56.100 -0.075 0.000 0.975 362 R CB 0.102 30.382 30.300 -0.034 0.000 0.869 362 R HN 0.070 nan 8.270 nan 0.000 0.437 363 E N 0.541 120.678 120.200 -0.106 0.000 2.136 363 E HA -0.252 4.098 4.350 0.000 0.000 0.202 363 E C 1.918 178.435 176.600 -0.139 0.000 1.019 363 E CA 1.384 57.725 56.400 -0.099 0.000 0.819 363 E CB 0.062 29.716 29.700 -0.077 0.000 0.739 363 E HN 0.146 nan 8.360 nan 0.000 0.458 364 K N 0.469 120.721 120.400 -0.246 0.000 2.097 364 K HA -0.107 4.213 4.320 0.000 0.000 0.206 364 K C 2.139 178.654 176.600 -0.141 0.000 1.049 364 K CA 0.812 56.960 56.287 -0.231 0.000 0.933 364 K CB -0.321 31.960 32.500 -0.366 0.000 0.717 364 K HN 0.254 nan 8.250 nan 0.000 0.442 365 L N 0.882 122.029 121.223 -0.127 0.000 2.376 365 L HA -0.136 4.204 4.340 0.000 0.000 0.219 365 L C 2.372 179.206 176.870 -0.060 0.000 1.133 365 L CA 0.855 55.645 54.840 -0.084 0.000 0.816 365 L CB -0.230 41.786 42.059 -0.072 0.000 0.933 365 L HN 0.260 nan 8.230 nan 0.000 0.449 366 Q N -0.256 119.509 119.800 -0.059 0.000 2.163 366 Q HA -0.147 4.193 4.340 0.000 0.000 0.198 366 Q C 1.906 177.887 176.000 -0.032 0.000 0.954 366 Q CA 0.859 56.638 55.803 -0.039 0.000 0.851 366 Q CB 0.100 28.818 28.738 -0.033 0.000 0.928 366 Q HN 0.513 nan 8.270 nan 0.000 0.459 367 E N 0.705 120.882 120.200 -0.039 0.000 2.118 367 E HA -0.189 4.161 4.350 0.000 0.000 0.195 367 E C 2.067 178.655 176.600 -0.019 0.000 0.992 367 E CA 0.786 57.172 56.400 -0.024 0.000 0.804 367 E CB 0.042 29.726 29.700 -0.026 0.000 0.741 367 E HN 0.204 nan 8.360 nan 0.000 0.458 368 R N 0.272 120.754 120.500 -0.031 0.000 2.075 368 R HA -0.124 4.216 4.340 0.000 0.000 0.232 368 R C 2.651 178.940 176.300 -0.017 0.000 1.126 368 R CA 1.597 57.681 56.100 -0.026 0.000 0.963 368 R CB -0.422 29.855 30.300 -0.039 0.000 0.858 368 R HN 0.220 nan 8.270 nan 0.000 0.435 369 V N -1.970 117.932 119.914 -0.020 0.000 2.548 369 V HA -0.028 4.092 4.120 0.000 0.000 0.249 369 V C 2.328 178.417 176.094 -0.008 0.000 1.055 369 V CA 1.551 63.843 62.300 -0.014 0.000 1.065 369 V CB -0.945 30.869 31.823 -0.016 0.000 0.681 369 V HN 0.202 nan 8.190 nan 0.000 0.462 370 A N 0.956 123.772 122.820 -0.008 0.000 1.908 370 A HA -0.213 4.107 4.320 0.000 0.000 0.218 370 A C 2.346 179.933 177.584 0.003 0.000 1.181 370 A CA 2.426 54.461 52.037 -0.003 0.000 0.627 370 A CB -0.540 18.458 19.000 -0.003 0.000 0.818 370 A HN 0.641 nan 8.150 nan 0.000 0.445 371 K N -1.186 119.219 120.400 0.008 0.000 1.991 371 K HA -0.003 4.317 4.320 0.000 0.000 0.207 371 K C 1.772 178.381 176.600 0.016 0.000 1.045 371 K CA 1.165 57.464 56.287 0.019 0.000 0.937 371 K CB -0.412 32.108 32.500 0.034 0.000 0.720 371 K HN 0.324 nan 8.250 nan 0.000 0.438 372 L N 0.549 121.777 121.223 0.010 0.000 2.450 372 L HA -0.092 4.248 4.340 0.000 0.000 0.224 372 L C 1.629 178.501 176.870 0.003 0.000 1.149 372 L CA 1.276 56.120 54.840 0.006 0.000 0.816 372 L CB -0.270 41.788 42.059 -0.002 0.000 0.932 372 L HN 0.168 nan 8.230 nan 0.000 0.449 373 A N -2.243 120.578 122.820 0.002 0.000 2.074 373 A HA 0.371 4.691 4.320 0.000 0.000 0.200 373 A C 2.107 179.691 177.584 0.000 0.000 1.335 373 A CA 0.408 52.445 52.037 -0.000 0.000 0.922 373 A CB -0.660 18.338 19.000 -0.003 0.000 0.972 373 A HN 0.325 nan 8.150 nan 0.000 0.475 374 G N -0.099 108.702 108.800 0.001 0.000 2.509 374 G HA2 0.365 4.325 3.960 0.000 0.000 0.218 374 G HA3 0.365 4.325 3.960 0.000 0.000 0.218 374 G C 1.183 176.083 174.900 0.000 0.000 1.124 374 G CA 0.796 45.896 45.100 0.000 0.000 0.776 374 G HN 1.589 nan 8.290 nan 0.000 0.547 375 G N -1.409 107.393 108.800 0.003 0.000 2.682 375 G HA2 -0.070 3.890 3.960 0.000 0.000 0.256 375 G HA3 -0.070 3.890 3.960 0.000 0.000 0.256 375 G C -0.453 174.447 174.900 -0.000 0.000 1.333 375 G CA -0.058 45.043 45.100 0.003 0.000 0.904 375 G HN 1.034 nan 8.290 nan 0.000 0.569 376 V N 0.024 119.936 119.914 -0.004 0.000 2.709 376 V HA 0.758 4.878 4.120 0.000 0.000 0.308 376 V C 0.759 176.846 176.094 -0.013 0.000 1.062 376 V CA -0.175 62.120 62.300 -0.009 0.000 0.901 376 V CB 1.477 33.294 31.823 -0.011 0.000 1.003 376 V HN 2.075 nan 8.190 nan 0.000 0.425 377 A N 3.309 126.119 122.820 -0.017 0.000 2.354 377 A HA 0.750 5.070 4.320 0.000 0.000 0.269 377 A C -0.456 177.116 177.584 -0.020 0.000 1.109 377 A CA -0.323 51.704 52.037 -0.017 0.000 0.800 377 A CB 0.883 19.871 19.000 -0.020 0.000 1.045 377 A HN 0.923 nan 8.150 nan 0.000 0.489 378 V N 4.706 124.610 119.914 -0.017 0.000 2.443 378 V HA 0.194 4.314 4.120 0.000 0.000 0.272 378 V C -0.308 175.777 176.094 -0.015 0.000 1.002 378 V CA -0.078 62.212 62.300 -0.017 0.000 0.840 378 V CB 0.491 32.305 31.823 -0.015 0.000 1.042 378 V HN 0.759 nan 8.190 nan 0.000 0.446 379 I N 3.757 124.317 120.570 -0.017 0.000 2.556 379 I HA 0.245 4.415 4.170 0.000 0.000 0.284 379 I C 0.477 176.587 176.117 -0.011 0.000 1.114 379 I CA 0.173 61.464 61.300 -0.014 0.000 1.418 379 I CB 0.604 38.595 38.000 -0.016 0.000 1.394 379 I HN 0.437 nan 8.210 nan 0.000 0.552 380 K N 6.041 126.435 120.400 -0.009 0.000 2.464 380 K HA 0.389 4.709 4.320 0.000 0.000 0.252 380 K C -0.977 175.620 176.600 -0.006 0.000 1.000 380 K CA -0.662 55.620 56.287 -0.008 0.000 0.951 380 K CB 1.700 34.196 32.500 -0.007 0.000 1.183 380 K HN 0.327 nan 8.250 nan 0.000 0.445 381 V N 2.345 122.256 119.914 -0.005 0.000 2.540 381 V HA 0.098 4.218 4.120 0.000 0.000 0.297 381 V C 0.942 177.034 176.094 -0.003 0.000 1.024 381 V CA -0.020 62.278 62.300 -0.004 0.000 1.105 381 V CB 0.697 32.519 31.823 -0.002 0.000 0.938 381 V HN 0.869 nan 8.190 nan 0.000 0.482 382 G N 2.805 111.603 108.800 -0.003 0.000 2.432 382 G HA2 0.844 4.804 3.960 0.000 0.000 0.331 382 G HA3 0.844 4.804 3.960 0.000 0.000 0.331 382 G C -0.547 174.352 174.900 -0.002 0.000 1.170 382 G CA 0.053 45.151 45.100 -0.003 0.000 0.943 382 G HN 1.174 nan 8.290 nan 0.000 0.483 383 A N -0.287 122.532 122.820 -0.002 0.000 2.534 383 A HA 0.847 5.167 4.320 0.000 0.000 0.300 383 A C 0.843 178.426 177.584 -0.001 0.000 1.223 383 A CA 0.435 52.471 52.037 -0.001 0.000 0.666 383 A CB 0.508 19.507 19.000 -0.001 0.000 1.316 383 A HN 1.747 nan 8.150 nan 0.000 0.468 384 A N -0.939 121.881 122.820 -0.001 0.000 1.943 384 A HA 0.469 4.789 4.320 0.000 0.000 0.213 384 A C 1.221 178.804 177.584 -0.001 0.000 1.181 384 A CA 2.157 54.193 52.037 -0.001 0.000 0.653 384 A CB -0.509 18.491 19.000 -0.001 0.000 0.833 384 A HN 1.955 nan 8.150 nan 0.000 0.451 385 T N -4.502 110.051 114.554 -0.001 0.000 2.907 385 T HA 0.453 4.803 4.350 0.000 0.000 0.290 385 T C 0.559 175.259 174.700 -0.000 0.000 1.066 385 T CA 0.088 62.188 62.100 -0.001 0.000 1.012 385 T CB 1.802 70.669 68.868 -0.000 0.000 1.184 385 T HN 0.212 nan 8.240 nan 0.000 0.522 386 E N 0.001 120.201 120.200 -0.000 0.000 2.058 386 E HA -0.141 4.209 4.350 0.000 0.000 0.194 386 E C 1.944 178.544 176.600 0.000 0.000 0.997 386 E CA 1.540 57.940 56.400 -0.000 0.000 0.801 386 E CB -0.240 29.460 29.700 0.000 0.000 0.746 386 E HN 0.520 nan 8.360 nan 0.000 0.450 387 V N 1.591 121.505 119.914 0.000 0.000 2.233 387 V HA -0.291 3.829 4.120 0.000 0.000 0.247 387 V C 2.302 178.397 176.094 0.001 0.000 1.050 387 V CA 2.287 64.588 62.300 0.001 0.000 1.010 387 V CB -0.698 31.125 31.823 0.001 0.000 0.637 387 V HN 0.325 nan 8.190 nan 0.000 0.444 388 E N -0.620 119.580 120.200 0.000 0.000 2.065 388 E HA -0.311 4.039 4.350 0.000 0.000 0.201 388 E C 2.197 178.797 176.600 0.000 0.000 1.016 388 E CA 1.938 58.338 56.400 -0.000 0.000 0.818 388 E CB -0.260 29.440 29.700 -0.000 0.000 0.749 388 E HN 0.438 nan 8.360 nan 0.000 0.453 389 M N 1.138 120.738 119.600 0.000 0.000 2.091 389 M HA -0.184 4.296 4.480 0.000 0.000 0.259 389 M C 1.916 178.217 176.300 0.001 0.000 1.076 389 M CA 1.641 56.941 55.300 0.000 0.000 1.111 389 M CB -0.490 32.110 32.600 -0.000 0.000 1.291 389 M HN -0.140 nan 8.290 nan 0.000 0.417 390 K N 0.430 120.831 120.400 0.001 0.000 2.242 390 K HA -0.218 4.102 4.320 0.000 0.000 0.206 390 K C 1.915 178.518 176.600 0.003 0.000 1.045 390 K CA 1.381 57.670 56.287 0.003 0.000 0.930 390 K CB -0.558 31.943 32.500 0.003 0.000 0.726 390 K HN 0.499 nan 8.250 nan 0.000 0.462 391 E N 1.072 121.274 120.200 0.003 0.000 2.060 391 E HA -0.113 4.237 4.350 0.000 0.000 0.189 391 E C 1.931 178.533 176.600 0.004 0.000 0.974 391 E CA 0.932 57.334 56.400 0.003 0.000 0.808 391 E CB 0.086 29.787 29.700 0.002 0.000 0.768 391 E HN 0.208 nan 8.360 nan 0.000 0.453 392 K N 1.195 121.596 120.400 0.003 0.000 2.032 392 K HA -0.177 4.143 4.320 0.000 0.000 0.209 392 K C 2.282 178.885 176.600 0.004 0.000 1.048 392 K CA 1.764 58.053 56.287 0.003 0.000 0.927 392 K CB -0.194 32.306 32.500 0.001 0.000 0.712 392 K HN -0.079 nan 8.250 nan 0.000 0.441 393 K N 0.017 120.420 120.400 0.004 0.000 2.362 393 K HA -0.159 4.161 4.320 0.000 0.000 0.202 393 K C 1.524 178.130 176.600 0.010 0.000 1.045 393 K CA 1.269 57.559 56.287 0.005 0.000 0.936 393 K CB -0.090 32.412 32.500 0.004 0.000 0.747 393 K HN 0.270 nan 8.250 nan 0.000 0.467 394 A N 0.623 123.449 122.820 0.010 0.000 2.072 394 A HA 0.032 4.352 4.320 0.000 0.000 0.216 394 A C 1.905 179.500 177.584 0.017 0.000 1.156 394 A CA 0.432 52.477 52.037 0.014 0.000 0.701 394 A CB -0.061 18.945 19.000 0.010 0.000 0.816 394 A HN 0.275 nan 8.150 nan 0.000 0.458 395 R N -0.907 119.601 120.500 0.013 0.000 2.075 395 R HA 0.041 4.381 4.340 0.000 0.000 0.220 395 R C 1.907 178.217 176.300 0.017 0.000 1.118 395 R CA 1.107 57.215 56.100 0.014 0.000 0.986 395 R CB -0.290 30.014 30.300 0.008 0.000 0.884 395 R HN 0.310 nan 8.270 nan 0.000 0.439 396 V N 1.380 121.301 119.914 0.011 0.000 2.469 396 V HA -0.241 3.879 4.120 0.000 0.000 0.251 396 V C 2.091 178.192 176.094 0.011 0.000 1.064 396 V CA 1.815 64.119 62.300 0.007 0.000 1.066 396 V CB -0.393 31.431 31.823 0.001 0.000 0.667 396 V HN 0.370 nan 8.190 nan 0.000 0.461 397 E N -0.568 119.646 120.200 0.023 0.000 2.112 397 E HA -0.183 4.167 4.350 0.000 0.000 0.190 397 E C 1.745 178.401 176.600 0.093 0.000 0.979 397 E CA 0.881 57.306 56.400 0.041 0.000 0.814 397 E CB 0.047 29.775 29.700 0.046 0.000 0.762 397 E HN 0.558 nan 8.360 nan 0.000 0.460 398 D N -0.823 119.623 120.400 0.077 0.000 2.348 398 D HA 0.029 4.669 4.640 0.000 0.000 0.211 398 D C 1.251 177.603 176.300 0.086 0.000 0.998 398 D CA 0.421 54.477 54.000 0.093 0.000 0.873 398 D CB 0.578 41.406 40.800 0.046 0.000 0.925 398 D HN 0.166 nan 8.370 nan 0.000 0.524 399 A N 0.378 123.231 122.820 0.055 0.000 2.044 399 A HA 0.020 4.340 4.320 0.000 0.000 0.213 399 A C 1.941 179.544 177.584 0.031 0.000 1.169 399 A CA 0.050 52.110 52.037 0.039 0.000 0.724 399 A CB -0.152 18.859 19.000 0.019 0.000 0.840 399 A HN 0.165 nan 8.150 nan 0.000 0.463 400 L N -0.807 120.423 121.223 0.011 0.000 2.191 400 L HA -0.125 4.215 4.340 0.000 0.000 0.212 400 L C 2.126 178.953 176.870 -0.071 0.000 1.103 400 L CA 1.756 56.569 54.840 -0.045 0.000 0.769 400 L CB -0.550 41.457 42.059 -0.087 0.000 0.908 400 L HN 0.481 nan 8.230 nan 0.000 0.438 401 H N -1.222 117.846 119.070 -0.003 0.000 2.415 401 H HA 0.175 4.731 4.556 -0.000 0.000 0.297 401 H C 2.099 177.427 175.328 0.001 0.000 1.048 401 H CA 1.086 57.133 56.048 -0.002 0.000 1.365 401 H CB 0.119 29.880 29.762 -0.002 0.000 1.421 401 H HN 0.442 nan 8.280 nan 0.000 0.533 402 A N 0.051 122.948 122.820 0.129 0.000 1.969 402 A HA -0.119 4.201 4.320 0.000 0.000 0.218 402 A C 2.560 180.173 177.584 0.048 0.000 1.169 402 A CA 1.756 53.837 52.037 0.073 0.000 0.635 402 A CB -0.681 18.348 19.000 0.048 0.000 0.810 402 A HN 0.322 nan 8.150 nan 0.000 0.445 403 T N -0.551 114.023 114.554 0.034 0.000 2.643 403 T HA -0.118 4.232 4.350 0.000 0.000 0.264 403 T C 2.148 176.857 174.700 0.014 0.000 1.045 403 T CA 1.232 63.342 62.100 0.015 0.000 1.155 403 T CB -0.248 68.620 68.868 0.000 0.000 0.863 403 T HN 0.318 nan 8.240 nan 0.000 0.420 404 R N 1.158 121.663 120.500 0.007 0.000 2.153 404 R HA -0.083 4.257 4.340 0.000 0.000 0.252 404 R C 2.505 178.821 176.300 0.027 0.000 1.158 404 R CA 1.558 57.662 56.100 0.007 0.000 0.975 404 R CB -1.076 29.223 30.300 -0.002 0.000 0.871 404 R HN 0.457 nan 8.270 nan 0.000 0.450 405 A N 0.090 122.937 122.820 0.044 0.000 2.015 405 A HA 0.021 4.341 4.320 0.000 0.000 0.219 405 A C 2.239 179.840 177.584 0.030 0.000 1.163 405 A CA 1.591 53.654 52.037 0.043 0.000 0.646 405 A CB -0.246 18.785 19.000 0.053 0.000 0.806 405 A HN 0.374 nan 8.150 nan 0.000 0.448 406 A N -0.952 121.882 122.820 0.024 0.000 1.871 406 A HA 0.174 4.494 4.320 0.000 0.000 0.211 406 A C 2.090 179.683 177.584 0.015 0.000 1.207 406 A CA 1.111 53.158 52.037 0.018 0.000 0.620 406 A CB -0.954 18.056 19.000 0.016 0.000 0.860 406 A HN 0.308 nan 8.150 nan 0.000 0.450 407 V N 0.696 120.617 119.914 0.012 0.000 2.370 407 V HA -0.350 3.770 4.120 0.000 0.000 0.252 407 V C 2.482 178.583 176.094 0.010 0.000 1.068 407 V CA 2.628 64.933 62.300 0.009 0.000 1.061 407 V CB -0.699 31.127 31.823 0.004 0.000 0.656 407 V HN 0.645 nan 8.190 nan 0.000 0.455 408 E N -0.749 119.460 120.200 0.014 0.000 2.028 408 E HA -0.150 4.200 4.350 0.000 0.000 0.190 408 E C 1.719 178.328 176.600 0.014 0.000 0.984 408 E CA 1.369 57.778 56.400 0.015 0.000 0.800 408 E CB -0.012 29.700 29.700 0.020 0.000 0.758 408 E HN 0.664 nan 8.360 nan 0.000 0.448 409 E N -0.649 119.560 120.200 0.016 0.000 2.676 409 E HA 0.237 4.587 4.350 0.000 0.000 0.222 409 E C 0.137 176.745 176.600 0.013 0.000 0.968 409 E CA 0.091 56.499 56.400 0.014 0.000 1.090 409 E CB 1.656 31.365 29.700 0.014 0.000 1.066 409 E HN 0.249 nan 8.360 nan 0.000 0.496 410 G N 1.173 109.981 108.800 0.014 0.000 2.698 410 G HA2 -0.184 3.776 3.960 0.000 0.000 0.225 410 G HA3 -0.184 3.776 3.960 0.000 0.000 0.225 410 G C -0.457 174.452 174.900 0.015 0.000 1.345 410 G CA -0.481 44.627 45.100 0.013 0.000 0.871 410 G HN 0.520 nan 8.290 nan 0.000 0.540 411 V N -2.210 117.712 119.914 0.014 0.000 3.040 411 V HA 0.992 5.112 4.120 0.000 0.000 0.312 411 V C 0.508 176.611 176.094 0.015 0.000 1.115 411 V CA 0.426 62.735 62.300 0.014 0.000 0.998 411 V CB 1.452 33.283 31.823 0.013 0.000 1.042 411 V HN 2.554 nan 8.190 nan 0.000 0.433 412 V N 0.242 120.165 119.914 0.015 0.000 3.119 412 V HA 1.029 5.149 4.120 0.000 0.000 0.311 412 V C 0.452 176.554 176.094 0.014 0.000 1.259 412 V CA -0.631 61.679 62.300 0.017 0.000 1.067 412 V CB 1.292 33.126 31.823 0.018 0.000 1.123 412 V HN 2.192 nan 8.190 nan 0.000 0.463 413 A N 0.427 123.257 122.820 0.016 0.000 2.488 413 A HA 0.694 5.014 4.320 0.000 0.000 0.249 413 A C 0.799 178.386 177.584 0.005 0.000 1.083 413 A CA 0.535 52.578 52.037 0.010 0.000 0.768 413 A CB -0.395 18.615 19.000 0.016 0.000 1.017 413 A HN 1.929 nan 8.150 nan 0.000 0.496 414 G N 0.727 109.525 108.800 -0.004 0.000 2.582 414 G HA2 0.492 4.452 3.960 0.000 0.000 0.232 414 G HA3 0.492 4.452 3.960 0.000 0.000 0.232 414 G C 1.137 176.031 174.900 -0.009 0.000 1.458 414 G CA -0.009 45.087 45.100 -0.006 0.000 1.062 414 G HN 2.206 nan 8.290 nan 0.000 0.566 415 G N -1.735 107.058 108.800 -0.012 0.000 2.296 415 G HA2 0.180 4.140 3.960 0.000 0.000 0.282 415 G HA3 0.180 4.140 3.960 0.000 0.000 0.282 415 G C 1.575 176.479 174.900 0.006 0.000 1.014 415 G CA 1.333 46.428 45.100 -0.008 0.000 0.812 415 G HN 2.421 nan 8.290 nan 0.000 0.508 416 G N -2.292 106.511 108.800 0.006 0.000 2.196 416 G HA2 -0.182 3.778 3.960 0.000 0.000 0.268 416 G HA3 -0.182 3.778 3.960 0.000 0.000 0.268 416 G C 1.996 176.904 174.900 0.014 0.000 0.975 416 G CA 2.172 47.279 45.100 0.011 0.000 0.648 416 G HN 2.227 nan 8.290 nan 0.000 0.538 417 V N -1.846 118.076 119.914 0.013 0.000 2.515 417 V HA 0.249 4.369 4.120 0.000 0.000 0.250 417 V C 2.881 178.991 176.094 0.026 0.000 1.058 417 V CA 2.129 64.441 62.300 0.020 0.000 1.064 417 V CB -1.084 30.746 31.823 0.012 0.000 0.675 417 V HN 1.464 nan 8.190 nan 0.000 0.461 418 A N 1.047 123.880 122.820 0.022 0.000 1.873 418 A HA -0.159 4.161 4.320 0.000 0.000 0.218 418 A C 2.265 179.864 177.584 0.024 0.000 1.193 418 A CA 2.519 54.571 52.037 0.025 0.000 0.629 418 A CB -0.842 18.170 19.000 0.020 0.000 0.826 418 A HN 0.612 nan 8.150 nan 0.000 0.447 419 L N -1.037 120.199 121.223 0.020 0.000 2.083 419 L HA -0.104 4.236 4.340 0.000 0.000 0.209 419 L C 2.478 179.361 176.870 0.021 0.000 1.083 419 L CA 1.266 56.117 54.840 0.019 0.000 0.752 419 L CB -0.318 41.750 42.059 0.016 0.000 0.899 419 L HN 0.482 nan 8.230 nan 0.000 0.433 420 I N -0.484 120.100 120.570 0.024 0.000 2.676 420 I HA -0.245 3.925 4.170 0.000 0.000 0.259 420 I C 2.667 178.805 176.117 0.035 0.000 1.194 420 I CA 0.578 61.894 61.300 0.027 0.000 1.473 420 I CB 0.052 38.068 38.000 0.027 0.000 1.096 420 I HN 0.206 nan 8.210 nan 0.000 0.443 421 R N 0.857 121.381 120.500 0.040 0.000 2.055 421 R HA -0.109 4.231 4.340 0.000 0.000 0.226 421 R C 2.104 178.425 176.300 0.036 0.000 1.135 421 R CA 2.422 58.551 56.100 0.048 0.000 0.959 421 R CB -1.054 29.278 30.300 0.054 0.000 0.854 421 R HN 0.306 nan 8.270 nan 0.000 0.431 422 V N -0.584 119.347 119.914 0.028 0.000 2.568 422 V HA -0.078 4.042 4.120 0.000 0.000 0.253 422 V C 2.229 178.335 176.094 0.019 0.000 1.072 422 V CA 1.672 63.985 62.300 0.021 0.000 1.084 422 V CB -1.455 30.378 31.823 0.017 0.000 0.676 422 V HN 0.381 nan 8.190 nan 0.000 0.469 423 A N 1.824 124.656 122.820 0.020 0.000 1.873 423 A HA -0.137 4.183 4.320 0.000 0.000 0.215 423 A C 2.586 180.181 177.584 0.018 0.000 1.186 423 A CA 2.335 54.382 52.037 0.017 0.000 0.616 423 A CB -0.961 18.049 19.000 0.017 0.000 0.823 423 A HN 0.855 nan 8.150 nan 0.000 0.442 424 S N -0.468 115.246 115.700 0.023 0.000 2.428 424 S HA -0.048 4.422 4.470 0.000 0.000 0.230 424 S C 1.543 176.155 174.600 0.020 0.000 1.014 424 S CA 1.250 59.464 58.200 0.023 0.000 0.957 424 S CB -0.308 62.911 63.200 0.032 0.000 0.784 424 S HN 0.510 nan 8.310 nan 0.000 0.499 425 K N 0.582 120.994 120.400 0.021 0.000 2.569 425 K HA 0.287 4.607 4.320 0.000 0.000 0.193 425 K C 0.098 176.706 176.600 0.012 0.000 1.026 425 K CA 0.234 56.531 56.287 0.017 0.000 1.093 425 K CB -0.165 32.346 32.500 0.019 0.000 0.849 425 K HN 0.449 nan 8.250 nan 0.000 0.509 426 L N -1.209 120.020 121.223 0.011 0.000 3.439 426 L HA 0.221 4.561 4.340 0.000 0.000 0.313 426 L C 1.192 178.067 176.870 0.007 0.000 1.292 426 L CA -0.171 54.674 54.840 0.008 0.000 1.020 426 L CB 0.813 42.876 42.059 0.008 0.000 1.424 426 L HN -0.029 nan 8.230 nan 0.000 0.612 427 A N -0.337 122.488 122.820 0.008 0.000 2.070 427 A HA -0.147 4.173 4.320 0.000 0.000 0.220 427 A C 1.353 178.940 177.584 0.005 0.000 1.159 427 A CA 1.582 53.623 52.037 0.007 0.000 0.656 427 A CB -0.162 18.842 19.000 0.008 0.000 0.800 427 A HN 0.375 nan 8.150 nan 0.000 0.453 428 D N -0.954 119.449 120.400 0.005 0.000 2.342 428 D HA 0.200 4.840 4.640 0.000 0.000 0.221 428 D C 0.045 176.347 176.300 0.003 0.000 1.101 428 D CA -0.270 53.732 54.000 0.003 0.000 0.837 428 D CB -0.028 40.774 40.800 0.003 0.000 0.938 428 D HN 0.310 nan 8.370 nan 0.000 0.508 429 L N 1.583 122.808 121.223 0.003 0.000 2.456 429 L HA 0.155 4.495 4.340 0.000 0.000 0.272 429 L C 0.187 177.059 176.870 0.002 0.000 1.189 429 L CA 0.589 55.430 54.840 0.003 0.000 0.846 429 L CB 0.211 42.271 42.059 0.003 0.000 1.111 429 L HN -0.191 nan 8.230 nan 0.000 0.475 430 R N 2.660 123.161 120.500 0.002 0.000 2.764 430 R HA 0.738 5.078 4.340 0.000 0.000 0.270 430 R C -0.534 175.766 176.300 0.001 0.000 1.014 430 R CA -0.456 55.645 56.100 0.001 0.000 0.904 430 R CB 1.497 31.798 30.300 0.001 0.000 1.236 430 R HN 0.795 nan 8.270 nan 0.000 0.466 431 G N -0.443 108.357 108.800 0.001 0.000 3.042 431 G HA2 0.293 4.253 3.960 0.000 0.000 0.278 431 G HA3 0.293 4.253 3.960 0.000 0.000 0.278 431 G C 0.145 175.045 174.900 0.001 0.000 1.371 431 G CA -0.345 44.756 45.100 0.001 0.000 1.009 431 G HN 0.395 nan 8.290 nan 0.000 0.523 432 Q N -0.505 119.295 119.800 0.001 0.000 1.985 432 Q HA -0.149 4.191 4.340 0.000 0.000 0.207 432 Q C 0.855 176.855 176.000 0.001 0.000 0.996 432 Q CA 2.070 57.873 55.803 0.001 0.000 0.851 432 Q CB -0.218 28.521 28.738 0.001 0.000 0.921 432 Q HN 0.685 nan 8.270 nan 0.000 0.418 433 N N -0.912 117.789 118.700 0.001 0.000 2.671 433 N HA 0.067 4.807 4.740 0.000 0.000 0.303 433 N C 0.228 175.739 175.510 0.001 0.000 1.277 433 N CA -0.407 52.643 53.050 0.001 0.000 0.933 433 N CB 0.364 38.852 38.487 0.001 0.000 1.190 433 N HN -0.173 nan 8.380 nan 0.000 0.600 434 E N -0.642 119.558 120.200 0.001 0.000 2.106 434 E HA -0.112 4.238 4.350 0.000 0.000 0.192 434 E C 0.552 177.153 176.600 0.002 0.000 0.984 434 E CA 1.220 57.621 56.400 0.001 0.000 0.806 434 E CB -0.324 29.377 29.700 0.001 0.000 0.750 434 E HN 0.547 nan 8.360 nan 0.000 0.458 435 D N 0.359 120.760 120.400 0.002 0.000 2.087 435 D HA -0.208 4.432 4.640 0.000 0.000 0.192 435 D C 1.908 178.210 176.300 0.002 0.000 0.993 435 D CA 1.243 55.244 54.000 0.002 0.000 0.828 435 D CB -0.360 40.442 40.800 0.003 0.000 0.968 435 D HN 0.341 nan 8.370 nan 0.000 0.448 436 Q N 0.233 120.034 119.800 0.002 0.000 2.173 436 Q HA -0.180 4.160 4.340 0.000 0.000 0.208 436 Q C 1.908 177.910 176.000 0.002 0.000 0.989 436 Q CA 1.063 56.868 55.803 0.002 0.000 0.872 436 Q CB -0.100 28.639 28.738 0.002 0.000 0.909 436 Q HN 0.276 nan 8.270 nan 0.000 0.420 437 N N -0.232 118.469 118.700 0.002 0.000 2.166 437 N HA -0.118 4.622 4.740 0.000 0.000 0.186 437 N C 1.795 177.306 175.510 0.002 0.000 1.019 437 N CA 0.994 54.045 53.050 0.002 0.000 0.856 437 N CB -0.220 38.268 38.487 0.002 0.000 0.993 437 N HN 0.075 nan 8.380 nan 0.000 0.426 438 V N 0.840 120.756 119.914 0.002 0.000 2.358 438 V HA -0.116 4.004 4.120 0.000 0.000 0.246 438 V C 2.445 178.541 176.094 0.003 0.000 1.047 438 V CA 1.913 64.215 62.300 0.003 0.000 1.035 438 V CB -1.164 30.660 31.823 0.002 0.000 0.658 438 V HN 0.322 nan 8.190 nan 0.000 0.452 439 G N -0.106 108.695 108.800 0.003 0.000 2.442 439 G HA2 -0.243 3.717 3.960 0.000 0.000 0.219 439 G HA3 -0.243 3.717 3.960 0.000 0.000 0.219 439 G C 1.510 176.412 174.900 0.003 0.000 1.141 439 G CA 1.115 46.217 45.100 0.003 0.000 0.763 439 G HN 0.437 nan 8.290 nan 0.000 0.554 440 I N 0.663 121.235 120.570 0.003 0.000 2.133 440 I HA -0.047 4.123 4.170 0.000 0.000 0.238 440 I C 2.512 178.631 176.117 0.004 0.000 1.074 440 I CA 1.116 62.418 61.300 0.003 0.000 1.342 440 I CB -0.114 37.888 38.000 0.002 0.000 1.053 440 I HN -0.082 nan 8.210 nan 0.000 0.404 441 K N 0.177 120.579 120.400 0.004 0.000 2.281 441 K HA -0.076 4.244 4.320 0.000 0.000 0.203 441 K C 2.130 178.732 176.600 0.004 0.000 1.046 441 K CA 0.907 57.196 56.287 0.004 0.000 0.938 441 K CB -0.664 31.838 32.500 0.003 0.000 0.737 441 K HN 0.231 nan 8.250 nan 0.000 0.458 442 V N 0.904 120.821 119.914 0.004 0.000 2.346 442 V HA -0.144 3.976 4.120 0.000 0.000 0.244 442 V C 2.330 178.427 176.094 0.005 0.000 1.037 442 V CA 1.699 64.002 62.300 0.005 0.000 1.029 442 V CB -0.398 31.428 31.823 0.005 0.000 0.663 442 V HN 0.272 nan 8.190 nan 0.000 0.454 443 A N -0.234 122.589 122.820 0.005 0.000 1.898 443 A HA -0.127 4.193 4.320 0.000 0.000 0.216 443 A C 2.145 179.733 177.584 0.006 0.000 1.181 443 A CA 1.627 53.668 52.037 0.006 0.000 0.620 443 A CB -0.515 18.487 19.000 0.005 0.000 0.819 443 A HN 0.497 nan 8.150 nan 0.000 0.442 444 L N -1.299 119.928 121.223 0.006 0.000 2.083 444 L HA -0.144 4.196 4.340 0.000 0.000 0.209 444 L C 2.769 179.644 176.870 0.008 0.000 1.083 444 L CA 1.554 56.398 54.840 0.007 0.000 0.752 444 L CB -0.512 41.551 42.059 0.007 0.000 0.899 444 L HN 0.401 nan 8.230 nan 0.000 0.433 445 R N 0.181 120.685 120.500 0.006 0.000 2.148 445 R HA -0.115 4.225 4.340 0.000 0.000 0.227 445 R C 2.245 178.548 176.300 0.006 0.000 1.103 445 R CA 1.160 57.263 56.100 0.006 0.000 0.983 445 R CB -0.078 30.224 30.300 0.005 0.000 0.874 445 R HN 0.356 nan 8.270 nan 0.000 0.451 446 A N 0.067 122.891 122.820 0.007 0.000 2.021 446 A HA -0.037 4.283 4.320 0.000 0.000 0.216 446 A C 1.896 179.485 177.584 0.009 0.000 1.163 446 A CA 0.565 52.607 52.037 0.008 0.000 0.676 446 A CB -0.152 18.853 19.000 0.009 0.000 0.818 446 A HN 0.254 nan 8.150 nan 0.000 0.453 447 M N -0.306 119.299 119.600 0.009 0.000 2.700 447 M HA -0.094 4.386 4.480 0.000 0.000 0.249 447 M C 1.309 177.615 176.300 0.011 0.000 1.082 447 M CA 0.916 56.223 55.300 0.011 0.000 1.077 447 M CB -0.157 32.450 32.600 0.012 0.000 1.477 447 M HN 0.473 nan 8.290 nan 0.000 0.529 448 E N -0.095 120.110 120.200 0.009 0.000 2.340 448 E HA 0.052 4.402 4.350 0.000 0.000 0.194 448 E C 2.103 178.705 176.600 0.004 0.000 0.996 448 E CA 0.439 56.843 56.400 0.007 0.000 0.869 448 E CB 0.086 29.789 29.700 0.005 0.000 0.835 448 E HN 0.480 nan 8.360 nan 0.000 0.493 449 A N 2.529 125.352 122.820 0.005 0.000 1.894 449 A HA -0.229 4.091 4.320 0.000 0.000 0.220 449 A C -0.344 177.242 177.584 0.003 0.000 1.237 449 A CA 1.956 53.995 52.037 0.004 0.000 0.660 449 A CB -1.772 17.231 19.000 0.006 0.000 0.835 449 A HN 0.145 nan 8.150 nan 0.000 0.461 450 P HA -0.190 nan 4.420 nan 0.000 0.214 450 P C 1.891 179.195 177.300 0.006 0.000 1.169 450 P CA 1.347 64.451 63.100 0.007 0.000 0.908 450 P CB -0.162 31.543 31.700 0.009 0.000 0.791 451 L N -0.861 120.365 121.223 0.006 0.000 1.994 451 L HA -0.196 4.144 4.340 0.000 0.000 0.208 451 L C 2.498 179.365 176.870 -0.005 0.000 1.071 451 L CA 1.734 56.578 54.840 0.006 0.000 0.745 451 L CB -0.363 41.698 42.059 0.004 0.000 0.892 451 L HN -0.181 nan 8.230 nan 0.000 0.431 452 R N -0.648 119.845 120.500 -0.011 0.000 2.117 452 R HA -0.271 4.069 4.340 0.000 0.000 0.243 452 R C 2.277 178.570 176.300 -0.012 0.000 1.143 452 R CA 1.925 58.014 56.100 -0.019 0.000 0.968 452 R CB -0.295 29.996 30.300 -0.015 0.000 0.863 452 R HN 0.427 nan 8.270 nan 0.000 0.444 453 Q N 0.801 120.599 119.800 -0.004 0.000 2.123 453 Q HA -0.032 4.308 4.340 0.000 0.000 0.199 453 Q C 1.761 177.763 176.000 0.003 0.000 0.966 453 Q CA 1.381 57.183 55.803 -0.001 0.000 0.845 453 Q CB 0.026 28.765 28.738 0.001 0.000 0.907 453 Q HN 0.360 nan 8.270 nan 0.000 0.439 454 I N -0.796 119.778 120.570 0.008 0.000 2.202 454 I HA -0.220 3.950 4.170 0.000 0.000 0.242 454 I C 2.010 178.144 176.117 0.029 0.000 1.091 454 I CA 0.774 62.085 61.300 0.018 0.000 1.368 454 I CB -0.347 37.669 38.000 0.026 0.000 1.058 454 I HN 0.032 nan 8.210 nan 0.000 0.410 455 V N 0.952 120.880 119.914 0.022 0.000 2.392 455 V HA -0.273 3.847 4.120 0.000 0.000 0.249 455 V C 2.387 178.483 176.094 0.004 0.000 1.059 455 V CA 1.625 63.933 62.300 0.012 0.000 1.051 455 V CB -0.470 31.305 31.823 -0.079 0.000 0.658 455 V HN 0.351 nan 8.190 nan 0.000 0.455 456 L N 0.734 121.955 121.223 -0.003 0.000 2.027 456 L HA -0.075 4.265 4.340 0.000 0.000 0.206 456 L C 2.102 178.975 176.870 0.005 0.000 1.074 456 L CA 1.878 56.716 54.840 -0.003 0.000 0.745 456 L CB -1.120 40.936 42.059 -0.005 0.000 0.898 456 L HN 0.298 nan 8.230 nan 0.000 0.433 457 N N -1.013 117.692 118.700 0.007 0.000 2.430 457 N HA -0.157 4.583 4.740 0.000 0.000 0.186 457 N C 1.477 176.993 175.510 0.011 0.000 1.032 457 N CA 1.355 54.409 53.050 0.007 0.000 0.893 457 N CB -0.618 37.873 38.487 0.005 0.000 0.957 457 N HN 0.423 nan 8.380 nan 0.000 0.442 458 C N -0.478 118.834 119.300 0.019 0.000 2.754 458 C HA 0.356 4.816 4.460 0.000 0.000 0.276 458 C C 1.426 176.431 174.990 0.025 0.000 1.264 458 C CA -0.230 58.804 59.018 0.027 0.000 1.700 458 C CB -1.095 26.677 27.740 0.053 0.000 1.885 458 C HN 0.543 nan 8.230 nan 0.000 0.607 459 G N 1.884 110.694 108.800 0.016 0.000 2.314 459 G HA2 -0.174 3.786 3.960 0.000 0.000 0.292 459 G HA3 -0.174 3.786 3.960 0.000 0.000 0.292 459 G C -0.205 174.704 174.900 0.016 0.000 1.059 459 G CA 0.328 45.436 45.100 0.013 0.000 0.982 459 G HN 0.495 nan 8.290 nan 0.000 0.505 460 E N -1.025 119.181 120.200 0.011 0.000 2.396 460 E HA 0.620 4.970 4.350 0.000 0.000 0.251 460 E C 0.052 176.640 176.600 -0.021 0.000 0.949 460 E CA -1.179 55.222 56.400 0.001 0.000 0.834 460 E CB 0.987 30.686 29.700 -0.002 0.000 1.309 460 E HN 0.064 nan 8.360 nan 0.000 0.405 461 K N 1.680 122.057 120.400 -0.038 0.000 2.296 461 K HA 0.288 4.608 4.320 0.000 0.000 0.257 461 K C -2.142 174.417 176.600 -0.069 0.000 1.088 461 K CA -2.029 54.234 56.287 -0.040 0.000 0.980 461 K CB 0.721 33.205 32.500 -0.026 0.000 1.430 461 K HN 0.052 nan 8.250 nan 0.000 0.441 462 P HA -0.282 nan 4.420 nan 0.000 0.213 462 P C 0.866 178.128 177.300 -0.063 0.000 1.176 462 P CA 1.797 64.855 63.100 -0.070 0.000 0.919 462 P CB 0.115 31.790 31.700 -0.041 0.000 0.791 463 S N -0.905 114.772 115.700 -0.038 0.000 2.381 463 S HA -0.218 4.252 4.470 0.000 0.000 0.230 463 S C 1.998 176.582 174.600 -0.026 0.000 1.052 463 S CA 2.107 60.292 58.200 -0.025 0.000 1.068 463 S CB -1.939 61.251 63.200 -0.016 0.000 0.918 463 S HN -0.047 nan 8.310 nan 0.000 0.448 464 V N 1.865 121.759 119.914 -0.032 0.000 2.221 464 V HA -0.154 3.966 4.120 0.000 0.000 0.242 464 V C 2.672 178.752 176.094 -0.024 0.000 1.041 464 V CA 1.780 64.067 62.300 -0.021 0.000 0.995 464 V CB -0.982 30.831 31.823 -0.016 0.000 0.635 464 V HN 0.470 nan 8.190 nan 0.000 0.448 465 V N 0.460 120.317 119.914 -0.094 0.000 2.277 465 V HA -0.372 3.748 4.120 0.000 0.000 0.253 465 V C 2.682 178.733 176.094 -0.073 0.000 1.067 465 V CA 2.383 64.574 62.300 -0.182 0.000 1.047 465 V CB -1.403 30.087 31.823 -0.555 0.000 0.649 465 V HN 0.598 nan 8.190 nan 0.000 0.447 466 A N 0.300 123.080 122.820 -0.066 0.000 1.841 466 A HA -0.328 3.992 4.320 0.000 0.000 0.216 466 A C 2.053 179.651 177.584 0.022 0.000 1.199 466 A CA 2.543 54.569 52.037 -0.020 0.000 0.621 466 A CB -1.053 17.935 19.000 -0.021 0.000 0.835 466 A HN 0.697 nan 8.150 nan 0.000 0.445 467 N N -0.935 117.776 118.700 0.019 0.000 2.061 467 N HA -0.151 4.589 4.740 0.000 0.000 0.193 467 N C 1.770 177.315 175.510 0.058 0.000 1.030 467 N CA 1.841 54.909 53.050 0.030 0.000 0.856 467 N CB -0.365 38.132 38.487 0.016 0.000 1.023 467 N HN 0.528 nan 8.380 nan 0.000 0.424 468 T N 0.767 115.366 114.554 0.075 0.000 2.652 468 T HA -0.122 4.228 4.350 0.000 0.000 0.267 468 T C 2.159 176.987 174.700 0.214 0.000 1.039 468 T CA 1.120 63.288 62.100 0.113 0.000 1.153 468 T CB -0.479 68.460 68.868 0.118 0.000 0.863 468 T HN 0.014 nan 8.240 nan 0.000 0.428 469 V N 1.560 121.610 119.914 0.227 0.000 2.392 469 V HA -0.198 3.922 4.120 0.000 0.000 0.249 469 V C 2.421 178.636 176.094 0.202 0.000 1.059 469 V CA 1.612 64.049 62.300 0.229 0.000 1.051 469 V CB -0.542 31.351 31.823 0.118 0.000 0.658 469 V HN 0.493 nan 8.190 nan 0.000 0.455 470 K N 0.265 120.742 120.400 0.127 0.000 2.211 470 K HA -0.043 4.277 4.320 0.000 0.000 0.203 470 K C 1.988 178.644 176.600 0.092 0.000 1.050 470 K CA 1.146 57.490 56.287 0.094 0.000 0.945 470 K CB -0.430 32.104 32.500 0.058 0.000 0.732 470 K HN 0.560 nan 8.250 nan 0.000 0.451 471 G N 0.853 109.711 108.800 0.097 0.000 2.882 471 G HA2 0.017 3.977 3.960 0.000 0.000 0.206 471 G HA3 0.017 3.977 3.960 0.000 0.000 0.206 471 G C 0.471 175.397 174.900 0.044 0.000 1.155 471 G CA 0.281 45.416 45.100 0.059 0.000 0.800 471 G HN 0.313 nan 8.290 nan 0.000 0.524 472 G N -1.090 107.776 108.800 0.110 0.000 2.971 472 G HA2 0.533 4.493 3.960 0.000 0.000 0.235 472 G HA3 0.533 4.493 3.960 0.000 0.000 0.235 472 G C -1.714 173.220 174.900 0.056 0.000 1.351 472 G CA -0.387 44.729 45.100 0.027 0.000 1.039 472 G HN 0.107 nan 8.290 nan 0.000 0.563 473 D N -3.021 117.408 120.400 0.047 0.000 2.661 473 D HA 0.539 5.179 4.640 0.000 0.000 0.228 473 D C 0.564 176.921 176.300 0.096 0.000 1.210 473 D CA 1.161 55.196 54.000 0.058 0.000 0.826 473 D CB 1.623 42.428 40.800 0.008 0.000 1.542 473 D HN 1.308 nan 8.370 nan 0.000 0.447 474 G N 2.183 111.033 108.800 0.082 0.000 2.512 474 G HA2 -0.286 3.674 3.960 0.000 0.000 0.254 474 G HA3 -0.286 3.674 3.960 0.000 0.000 0.254 474 G C 0.177 175.142 174.900 0.107 0.000 1.199 474 G CA 0.218 45.368 45.100 0.083 0.000 0.941 474 G HN 0.592 nan 8.290 nan 0.000 0.569 475 N N 0.152 118.917 118.700 0.107 0.000 2.346 475 N HA 0.339 5.079 4.740 0.000 0.000 0.225 475 N C -0.043 175.546 175.510 0.130 0.000 1.144 475 N CA 0.038 53.145 53.050 0.095 0.000 0.837 475 N CB 0.224 38.748 38.487 0.062 0.000 1.069 475 N HN 0.553 nan 8.380 nan 0.000 0.487 476 Y N 0.776 121.107 120.300 0.052 0.000 2.402 476 Y HA 0.508 5.058 4.550 0.000 0.000 0.333 476 Y C 0.727 176.687 175.900 0.099 0.000 1.076 476 Y CA -0.187 57.958 58.100 0.075 0.000 1.299 476 Y CB 0.135 38.639 38.460 0.074 0.000 1.197 476 Y HN 0.061 nan 8.280 nan 0.000 0.517 477 G N 4.123 112.705 108.800 -0.365 0.000 2.947 477 G HA2 0.257 4.217 3.960 0.000 0.000 0.293 477 G HA3 0.257 4.217 3.960 0.000 0.000 0.293 477 G C -2.379 172.340 174.900 -0.301 0.000 1.243 477 G CA -0.891 44.056 45.100 -0.255 0.000 0.802 477 G HN 0.563 nan 8.290 nan 0.000 0.560 478 Y N 1.483 121.574 120.300 -0.348 0.000 2.338 478 Y HA 0.549 5.099 4.550 -0.000 0.000 0.328 478 Y C -0.245 175.458 175.900 -0.328 0.000 0.965 478 Y CA -1.311 56.483 58.100 -0.511 0.000 1.208 478 Y CB 1.343 39.433 38.460 -0.617 0.000 1.132 478 Y HN 0.433 nan 8.280 nan 0.000 0.469 479 N N 4.742 123.059 118.700 -0.639 0.000 2.399 479 N HA 0.138 4.878 4.740 0.000 0.000 0.259 479 N C 0.517 175.528 175.510 -0.831 0.000 1.160 479 N CA 0.642 53.387 53.050 -0.508 0.000 0.946 479 N CB 1.384 39.666 38.487 -0.343 0.000 1.156 479 N HN 0.849 nan 8.380 nan 0.000 0.489 480 A N 3.510 125.995 122.820 -0.559 0.000 2.168 480 A HA 0.079 4.399 4.320 0.000 0.000 0.215 480 A C 1.878 179.309 177.584 -0.255 0.000 1.152 480 A CA 1.257 53.053 52.037 -0.402 0.000 0.716 480 A CB -0.367 18.628 19.000 -0.010 0.000 0.794 480 A HN 0.728 nan 8.150 nan 0.000 0.465 481 A N -0.557 122.122 122.820 -0.234 0.000 2.021 481 A HA 0.061 4.381 4.320 0.000 0.000 0.216 481 A C 2.240 179.734 177.584 -0.150 0.000 1.163 481 A CA 1.995 53.944 52.037 -0.147 0.000 0.676 481 A CB -0.542 18.391 19.000 -0.112 0.000 0.818 481 A HN 0.700 nan 8.150 nan 0.000 0.453 482 T N -4.630 109.794 114.554 -0.216 0.000 2.969 482 T HA 0.231 4.581 4.350 0.000 0.000 0.250 482 T C 0.436 175.023 174.700 -0.188 0.000 1.021 482 T CA 0.856 62.856 62.100 -0.167 0.000 1.003 482 T CB -0.135 68.648 68.868 -0.143 0.000 1.040 482 T HN 0.524 nan 8.240 nan 0.000 0.492 483 E N 0.693 120.673 120.200 -0.367 0.000 3.413 483 E HA -0.142 4.208 4.350 0.000 0.000 0.300 483 E C -0.864 175.621 176.600 -0.192 0.000 0.891 483 E CA 0.717 56.924 56.400 -0.322 0.000 1.050 483 E CB -1.721 27.962 29.700 -0.029 0.000 1.534 483 E HN 0.756 nan 8.360 nan 0.000 0.436 484 E N 0.524 120.569 120.200 -0.259 0.000 2.182 484 E HA 0.277 4.627 4.350 0.000 0.000 0.258 484 E C -0.631 175.936 176.600 -0.055 0.000 0.879 484 E CA -0.668 55.716 56.400 -0.026 0.000 0.754 484 E CB 0.786 30.487 29.700 0.001 0.000 1.162 484 E HN 0.042 nan 8.360 nan 0.000 0.419 485 Y N 1.514 121.803 120.300 -0.018 0.000 2.546 485 Y HA 0.341 4.891 4.550 0.000 0.000 0.351 485 Y C 1.450 177.320 175.900 -0.051 0.000 1.266 485 Y CA 0.815 58.864 58.100 -0.084 0.000 1.487 485 Y CB 0.436 38.875 38.460 -0.036 0.000 1.365 485 Y HN 0.709 nan 8.280 nan 0.000 0.642 486 G N 0.129 108.945 108.800 0.026 0.000 2.452 486 G HA2 0.005 3.965 3.960 0.000 0.000 0.224 486 G HA3 0.005 3.965 3.960 0.000 0.000 0.224 486 G C -1.653 173.321 174.900 0.122 0.000 1.208 486 G CA -0.985 44.210 45.100 0.158 0.000 0.946 486 G HN 0.601 nan 8.290 nan 0.000 0.481 487 N N 1.301 120.069 118.700 0.114 0.000 2.485 487 N HA 0.213 4.953 4.740 0.000 0.000 0.243 487 N C 1.682 177.208 175.510 0.027 0.000 0.987 487 N CA -0.593 52.515 53.050 0.097 0.000 0.940 487 N CB 0.960 39.506 38.487 0.100 0.000 1.122 487 N HN 0.355 nan 8.380 nan 0.000 0.509 488 M N 3.066 122.666 119.600 -0.000 0.000 2.108 488 M HA -0.201 4.279 4.480 0.000 0.000 0.257 488 M C 1.544 177.839 176.300 -0.008 0.000 1.071 488 M CA 1.277 56.562 55.300 -0.024 0.000 1.093 488 M CB -0.563 32.021 32.600 -0.027 0.000 1.345 488 M HN 0.556 nan 8.290 nan 0.000 0.403 489 I N -0.120 120.457 120.570 0.011 0.000 2.315 489 I HA -0.220 3.950 4.170 0.000 0.000 0.248 489 I C 1.719 177.841 176.117 0.008 0.000 1.117 489 I CA 1.378 62.684 61.300 0.010 0.000 1.404 489 I CB -1.522 36.489 38.000 0.018 0.000 1.071 489 I HN 0.214 nan 8.210 nan 0.000 0.419 490 D N 0.673 121.081 120.400 0.015 0.000 2.144 490 D HA -0.124 4.516 4.640 0.000 0.000 0.199 490 D C 2.071 178.372 176.300 0.002 0.000 0.984 490 D CA 1.036 55.044 54.000 0.013 0.000 0.834 490 D CB -0.096 40.719 40.800 0.025 0.000 0.955 490 D HN 0.238 nan 8.370 nan 0.000 0.465 491 M N -0.569 119.026 119.600 -0.008 0.000 2.628 491 M HA 0.171 4.651 4.480 0.000 0.000 0.232 491 M C 0.653 176.936 176.300 -0.027 0.000 1.128 491 M CA 0.183 55.469 55.300 -0.023 0.000 1.040 491 M CB 0.435 33.009 32.600 -0.044 0.000 1.608 491 M HN 0.050 nan 8.290 nan 0.000 0.507 492 G N 2.308 111.098 108.800 -0.017 0.000 2.351 492 G HA2 -0.235 3.725 3.960 0.000 0.000 0.297 492 G HA3 -0.235 3.725 3.960 0.000 0.000 0.297 492 G C -0.174 174.712 174.900 -0.024 0.000 1.054 492 G CA -0.192 44.898 45.100 -0.016 0.000 1.123 492 G HN 0.588 nan 8.290 nan 0.000 0.512 493 I N 0.861 121.416 120.570 -0.025 0.000 2.871 493 I HA 0.215 4.385 4.170 0.000 0.000 0.284 493 I C 0.164 176.270 176.117 -0.019 0.000 1.390 493 I CA -0.793 60.488 61.300 -0.030 0.000 0.958 493 I CB 0.266 38.235 38.000 -0.051 0.000 1.618 493 I HN 0.188 nan 8.210 nan 0.000 0.595 494 L N 0.564 121.781 121.223 -0.010 0.000 2.421 494 L HA 0.835 5.175 4.340 0.000 0.000 0.267 494 L C -0.537 176.334 176.870 0.001 0.000 1.036 494 L CA -0.734 54.105 54.840 -0.002 0.000 0.829 494 L CB 0.490 42.551 42.059 0.003 0.000 1.437 494 L HN -0.025 nan 8.230 nan 0.000 0.488 495 D N -1.383 119.021 120.400 0.007 0.000 2.861 495 D HA 0.304 4.944 4.640 0.000 0.000 0.216 495 D C -2.845 173.464 176.300 0.014 0.000 1.323 495 D CA -0.819 53.187 54.000 0.010 0.000 0.917 495 D CB 2.357 43.163 40.800 0.009 0.000 1.582 495 D HN 0.320 nan 8.370 nan 0.000 0.576 496 P HA 0.000 nan 4.420 nan 0.000 0.261 496 P C 1.009 178.321 177.300 0.021 0.000 1.183 496 P CA 0.268 63.381 63.100 0.021 0.000 0.761 496 P CB 0.610 32.326 31.700 0.027 0.000 0.785 497 T N 3.138 117.703 114.554 0.018 0.000 2.680 497 T HA -0.271 4.079 4.350 0.000 0.000 0.268 497 T C 1.632 176.343 174.700 0.019 0.000 1.033 497 T CA 1.525 63.636 62.100 0.017 0.000 1.152 497 T CB -0.366 68.511 68.868 0.015 0.000 0.859 497 T HN 0.503 nan 8.240 nan 0.000 0.452 498 K N 0.658 121.071 120.400 0.022 0.000 2.074 498 K HA -0.154 4.166 4.320 0.000 0.000 0.209 498 K C 2.456 179.077 176.600 0.035 0.000 1.048 498 K CA 1.742 58.045 56.287 0.027 0.000 0.926 498 K CB -0.428 32.092 32.500 0.033 0.000 0.713 498 K HN 0.363 nan 8.250 nan 0.000 0.444 499 V N -0.202 119.733 119.914 0.035 0.000 2.270 499 V HA -0.185 3.935 4.120 0.000 0.000 0.245 499 V C 1.802 177.920 176.094 0.040 0.000 1.043 499 V CA 2.463 64.788 62.300 0.041 0.000 1.014 499 V CB -0.856 30.985 31.823 0.030 0.000 0.645 499 V HN 0.343 nan 8.190 nan 0.000 0.447 500 T N 0.385 114.956 114.554 0.028 0.000 2.720 500 T HA -0.220 4.130 4.350 0.000 0.000 0.268 500 T C 1.956 176.669 174.700 0.022 0.000 1.037 500 T CA 2.309 64.423 62.100 0.024 0.000 1.144 500 T CB -0.418 68.461 68.868 0.018 0.000 0.864 500 T HN 0.632 nan 8.240 nan 0.000 0.444 501 R N 0.754 121.264 120.500 0.016 0.000 2.070 501 R HA -0.088 4.252 4.340 0.000 0.000 0.232 501 R C 2.689 178.987 176.300 -0.004 0.000 1.138 501 R CA 1.795 57.896 56.100 0.001 0.000 0.936 501 R CB -0.457 29.839 30.300 -0.006 0.000 0.839 501 R HN 0.226 nan 8.270 nan 0.000 0.429 502 S N 0.679 116.391 115.700 0.021 0.000 2.359 502 S HA -0.236 4.234 4.470 0.000 0.000 0.223 502 S C 2.056 176.739 174.600 0.138 0.000 1.039 502 S CA 1.459 59.695 58.200 0.061 0.000 1.042 502 S CB -0.529 62.770 63.200 0.166 0.000 0.915 502 S HN 0.602 nan 8.310 nan 0.000 0.439 503 A N 1.333 124.230 122.820 0.128 0.000 1.884 503 A HA -0.173 4.147 4.320 0.000 0.000 0.219 503 A C 2.171 179.813 177.584 0.096 0.000 1.197 503 A CA 1.959 54.070 52.037 0.123 0.000 0.637 503 A CB -0.920 18.122 19.000 0.069 0.000 0.827 503 A HN 0.427 nan 8.150 nan 0.000 0.450 504 L N -0.228 121.022 121.223 0.046 0.000 2.017 504 L HA -0.189 4.151 4.340 0.000 0.000 0.208 504 L C 2.538 179.407 176.870 -0.001 0.000 1.073 504 L CA 2.335 57.188 54.840 0.022 0.000 0.745 504 L CB -0.799 41.263 42.059 0.006 0.000 0.894 504 L HN 0.493 nan 8.230 nan 0.000 0.432 505 Q N -1.440 118.327 119.800 -0.056 0.000 2.135 505 Q HA -0.248 4.092 4.340 0.000 0.000 0.204 505 Q C 2.185 178.085 176.000 -0.166 0.000 0.981 505 Q CA 2.039 57.750 55.803 -0.153 0.000 0.856 505 Q CB -0.418 28.146 28.738 -0.290 0.000 0.902 505 Q HN 0.547 nan 8.270 nan 0.000 0.425 506 Y N 0.258 120.558 120.300 0.000 0.000 2.243 506 Y HA -0.040 4.510 4.550 0.000 0.000 0.293 506 Y C 2.489 178.389 175.900 -0.000 0.000 1.124 506 Y CA 0.700 58.800 58.100 -0.000 0.000 1.159 506 Y CB -0.728 37.731 38.460 -0.002 0.000 1.008 506 Y HN 0.093 nan 8.280 nan 0.000 0.527 507 A N 0.240 123.157 122.820 0.162 0.000 1.917 507 A HA -0.219 4.101 4.320 0.000 0.000 0.219 507 A C 2.464 180.086 177.584 0.063 0.000 1.182 507 A CA 2.181 54.272 52.037 0.090 0.000 0.633 507 A CB -1.304 17.732 19.000 0.061 0.000 0.819 507 A HN 0.406 nan 8.150 nan 0.000 0.448 508 A N -0.849 121.997 122.820 0.044 0.000 1.908 508 A HA -0.125 4.195 4.320 0.000 0.000 0.218 508 A C 2.474 180.075 177.584 0.029 0.000 1.181 508 A CA 2.286 54.336 52.037 0.023 0.000 0.627 508 A CB -1.026 17.974 19.000 -0.001 0.000 0.818 508 A HN 0.615 nan 8.150 nan 0.000 0.445 509 S N -0.853 114.873 115.700 0.045 0.000 2.354 509 S HA -0.167 4.303 4.470 0.000 0.000 0.219 509 S C 2.014 176.648 174.600 0.058 0.000 1.035 509 S CA 1.927 60.160 58.200 0.054 0.000 1.037 509 S CB -0.729 62.532 63.200 0.102 0.000 0.956 509 S HN 0.696 nan 8.310 nan 0.000 0.428 510 V N 1.930 121.888 119.914 0.074 0.000 2.343 510 V HA -0.056 4.064 4.120 0.000 0.000 0.247 510 V C 2.578 178.694 176.094 0.036 0.000 1.051 510 V CA 2.230 64.562 62.300 0.052 0.000 1.036 510 V CB -1.285 30.567 31.823 0.049 0.000 0.654 510 V HN 0.611 nan 8.190 nan 0.000 0.451 511 A N 0.263 123.104 122.820 0.035 0.000 1.865 511 A HA -0.105 4.215 4.320 0.000 0.000 0.217 511 A C 2.437 180.033 177.584 0.020 0.000 1.191 511 A CA 2.244 54.296 52.037 0.025 0.000 0.623 511 A CB -1.681 17.333 19.000 0.023 0.000 0.826 511 A HN 0.708 nan 8.150 nan 0.000 0.444 512 G N -0.221 108.591 108.800 0.020 0.000 2.446 512 G HA2 -0.218 3.742 3.960 0.000 0.000 0.217 512 G HA3 -0.218 3.742 3.960 0.000 0.000 0.217 512 G C 1.566 176.476 174.900 0.017 0.000 1.168 512 G CA 1.125 46.235 45.100 0.016 0.000 0.771 512 G HN 0.447 nan 8.290 nan 0.000 0.551 513 L N -0.215 121.020 121.223 0.021 0.000 2.043 513 L HA -0.152 4.188 4.340 0.000 0.000 0.212 513 L C 3.142 180.023 176.870 0.018 0.000 1.075 513 L CA 1.391 56.244 54.840 0.020 0.000 0.752 513 L CB -0.378 41.696 42.059 0.024 0.000 0.891 513 L HN 0.269 nan 8.230 nan 0.000 0.432 514 M N -0.762 118.849 119.600 0.018 0.000 2.132 514 M HA -0.173 4.307 4.480 0.000 0.000 0.263 514 M C 2.282 178.590 176.300 0.012 0.000 1.065 514 M CA 1.682 56.991 55.300 0.015 0.000 1.122 514 M CB -0.333 32.275 32.600 0.015 0.000 1.365 514 M HN 0.195 nan 8.290 nan 0.000 0.411 515 I N 0.216 120.793 120.570 0.012 0.000 2.454 515 I HA -0.202 3.968 4.170 0.000 0.000 0.254 515 I C 1.743 177.868 176.117 0.012 0.000 1.156 515 I CA 1.394 62.701 61.300 0.011 0.000 1.433 515 I CB -0.586 37.420 38.000 0.010 0.000 1.082 515 I HN 0.405 nan 8.210 nan 0.000 0.432 516 T N -3.277 111.285 114.554 0.014 0.000 3.223 516 T HA 0.164 4.514 4.350 0.000 0.000 0.259 516 T C 0.537 175.248 174.700 0.018 0.000 1.015 516 T CA -0.300 61.809 62.100 0.016 0.000 0.908 516 T CB -0.361 68.516 68.868 0.015 0.000 1.054 516 T HN -0.056 nan 8.240 nan 0.000 0.567 517 T N 2.209 116.772 114.554 0.016 0.000 2.882 517 T HA 0.344 4.694 4.350 0.000 0.000 0.287 517 T C 0.578 175.289 174.700 0.019 0.000 0.992 517 T CA -0.515 61.594 62.100 0.015 0.000 1.076 517 T CB 1.575 70.449 68.868 0.009 0.000 0.961 517 T HN 0.054 nan 8.240 nan 0.000 0.490 518 E N 0.182 120.399 120.200 0.029 0.000 2.514 518 E HA 0.206 4.556 4.350 0.000 0.000 0.215 518 E C -0.137 176.494 176.600 0.051 0.000 0.946 518 E CA 0.064 56.499 56.400 0.058 0.000 1.038 518 E CB 0.717 30.471 29.700 0.091 0.000 1.069 518 E HN 0.600 nan 8.360 nan 0.000 0.503 519 C N 0.509 119.790 119.300 -0.031 0.000 3.113 519 C HA 0.632 5.092 4.460 0.000 0.000 0.376 519 C C -1.511 173.386 174.990 -0.156 0.000 1.077 519 C CA -0.654 58.243 59.018 -0.202 0.000 1.253 519 C CB 0.199 27.787 27.740 -0.254 0.000 1.637 519 C HN 0.111 nan 8.230 nan 0.000 0.535 520 M N 4.812 124.308 119.600 -0.174 0.000 2.465 520 M HA 0.660 5.140 4.480 0.000 0.000 0.316 520 M C -0.989 175.344 176.300 0.056 0.000 1.121 520 M CA -0.660 54.649 55.300 0.014 0.000 0.934 520 M CB 2.158 34.871 32.600 0.188 0.000 1.692 520 M HN 0.418 nan 8.290 nan 0.000 0.444 521 V N 1.319 121.252 119.914 0.032 0.000 2.483 521 V HA 0.725 4.845 4.120 0.000 0.000 0.297 521 V C -0.365 175.686 176.094 -0.071 0.000 1.027 521 V CA -0.338 61.959 62.300 -0.005 0.000 0.855 521 V CB 1.969 33.775 31.823 -0.028 0.000 0.995 521 V HN 0.969 nan 8.190 nan 0.000 0.424 522 T N 2.436 116.891 114.554 -0.165 0.000 2.816 522 T HA 0.447 4.797 4.350 0.000 0.000 0.299 522 T C -1.139 173.428 174.700 -0.221 0.000 1.230 522 T CA -0.542 61.398 62.100 -0.267 0.000 1.007 522 T CB 1.869 70.415 68.868 -0.538 0.000 1.289 522 T HN 0.648 nan 8.240 nan 0.000 0.508 523 D N 1.101 121.388 120.400 -0.188 0.000 2.357 523 D HA 0.388 5.028 4.640 0.000 0.000 0.242 523 D C -0.317 175.905 176.300 -0.129 0.000 1.153 523 D CA -0.218 53.706 54.000 -0.126 0.000 0.918 523 D CB 0.366 41.110 40.800 -0.093 0.000 1.181 523 D HN 0.185 nan 8.370 nan 0.000 0.435 524 L N 3.011 124.190 121.223 -0.073 0.000 2.360 524 L HA 0.261 4.601 4.340 0.000 0.000 0.276 524 L C -1.474 175.369 176.870 -0.045 0.000 1.121 524 L CA -1.269 53.542 54.840 -0.048 0.000 0.845 524 L CB -0.253 41.794 42.059 -0.020 0.000 1.143 524 L HN 0.410 nan 8.230 nan 0.000 0.452 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.083 63.100 -0.028 0.000 0.800 525 P CB 0.000 31.694 31.700 -0.010 0.000 0.726