REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2nwc_1_I DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.581 177.584 -0.005 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 2 A CB 0.000 18.992 19.000 -0.012 0.000 0.831 3 A N 2.324 125.144 122.820 -0.000 0.000 2.531 3 A HA 0.526 4.846 4.320 0.000 0.000 0.236 3 A C 0.309 177.894 177.584 0.001 0.000 1.062 3 A CA 0.412 52.452 52.037 0.006 0.000 0.760 3 A CB 0.015 19.022 19.000 0.011 0.000 0.995 3 A HN 0.631 nan 8.150 nan 0.000 0.501 4 K N 1.218 121.623 120.400 0.008 0.000 2.221 4 K HA 0.404 4.724 4.320 0.000 0.000 0.243 4 K C -1.269 175.349 176.600 0.031 0.000 0.968 4 K CA -0.723 55.566 56.287 0.002 0.000 0.846 4 K CB 1.592 34.090 32.500 -0.002 0.000 1.141 4 K HN 0.704 nan 8.250 nan 0.000 0.434 5 D N 1.320 121.743 120.400 0.039 0.000 2.349 5 D HA 0.274 4.915 4.640 0.000 0.000 0.232 5 D C -1.195 175.245 176.300 0.233 0.000 1.071 5 D CA -0.533 53.555 54.000 0.147 0.000 0.832 5 D CB 1.074 41.994 40.800 0.201 0.000 1.086 5 D HN 0.050 nan 8.370 nan 0.000 0.504 6 V N 4.466 124.464 119.914 0.140 0.000 2.384 6 V HA 0.428 4.548 4.120 0.000 0.000 0.287 6 V C 0.347 176.327 176.094 -0.190 0.000 1.020 6 V CA -0.727 61.555 62.300 -0.029 0.000 0.850 6 V CB 1.513 33.264 31.823 -0.121 0.000 0.987 6 V HN 0.336 nan 8.190 nan 0.000 0.436 7 K N 3.484 123.683 120.400 -0.335 0.000 2.259 7 K HA 0.748 5.069 4.320 0.000 0.000 0.249 7 K C -1.505 174.769 176.600 -0.543 0.000 0.942 7 K CA -0.489 55.523 56.287 -0.458 0.000 0.816 7 K CB 2.145 34.191 32.500 -0.757 0.000 1.155 7 K HN 0.465 nan 8.250 nan 0.000 0.428 8 F N -0.031 119.867 119.950 -0.086 0.000 2.579 8 F HA 0.390 4.917 4.527 0.000 0.000 0.324 8 F C 1.328 177.099 175.800 -0.048 0.000 1.058 8 F CA 0.064 58.038 58.000 -0.044 0.000 0.944 8 F CB 1.549 40.532 39.000 -0.028 0.000 1.245 8 F HN 0.814 nan 8.300 nan 0.000 0.477 9 G N 1.719 110.633 108.800 0.189 0.000 2.698 9 G HA2 -0.470 3.490 3.960 0.000 0.000 0.346 9 G HA3 -0.470 3.490 3.960 0.000 0.000 0.346 9 G C 1.340 176.266 174.900 0.042 0.000 1.287 9 G CA 1.071 46.229 45.100 0.096 0.000 0.990 9 G HN 0.798 nan 8.290 nan 0.000 0.545 10 N N 0.476 119.193 118.700 0.029 0.000 2.166 10 N HA -0.154 4.587 4.740 0.000 0.000 0.186 10 N C 1.871 177.373 175.510 -0.013 0.000 1.019 10 N CA 1.970 55.024 53.050 0.008 0.000 0.856 10 N CB -0.253 38.237 38.487 0.005 0.000 0.993 10 N HN 0.538 nan 8.380 nan 0.000 0.426 11 D N 0.613 121.002 120.400 -0.019 0.000 2.104 11 D HA -0.080 4.560 4.640 0.000 0.000 0.194 11 D C 1.822 178.049 176.300 -0.121 0.000 0.994 11 D CA 1.412 55.373 54.000 -0.064 0.000 0.830 11 D CB -0.286 40.477 40.800 -0.063 0.000 0.959 11 D HN 0.362 nan 8.370 nan 0.000 0.452 12 A N 0.315 123.064 122.820 -0.119 0.000 1.933 12 A HA -0.137 4.183 4.320 0.000 0.000 0.218 12 A C 2.345 179.894 177.584 -0.058 0.000 1.175 12 A CA 1.336 53.287 52.037 -0.143 0.000 0.628 12 A CB -0.445 18.494 19.000 -0.103 0.000 0.814 12 A HN 0.195 nan 8.150 nan 0.000 0.444 13 R N -0.488 119.996 120.500 -0.027 0.000 2.090 13 R HA -0.077 4.263 4.340 0.000 0.000 0.228 13 R C 2.182 178.480 176.300 -0.004 0.000 1.110 13 R CA 1.431 57.528 56.100 -0.004 0.000 0.973 13 R CB -0.487 29.816 30.300 0.005 0.000 0.869 13 R HN 0.592 nan 8.270 nan 0.000 0.440 14 V N -0.561 119.344 119.914 -0.015 0.000 2.515 14 V HA -0.136 3.984 4.120 0.000 0.000 0.250 14 V C 1.910 178.002 176.094 -0.003 0.000 1.058 14 V CA 1.353 63.648 62.300 -0.009 0.000 1.064 14 V CB -0.329 31.486 31.823 -0.014 0.000 0.675 14 V HN 0.069 nan 8.190 nan 0.000 0.461 15 K N 0.021 120.412 120.400 -0.015 0.000 2.026 15 K HA -0.067 4.253 4.320 0.000 0.000 0.208 15 K C 2.243 178.873 176.600 0.051 0.000 1.048 15 K CA 2.217 58.514 56.287 0.017 0.000 0.929 15 K CB -0.524 31.976 32.500 -0.001 0.000 0.713 15 K HN 0.521 nan 8.250 nan 0.000 0.439 16 M N 0.337 119.965 119.600 0.048 0.000 2.080 16 M HA -0.202 4.278 4.480 0.000 0.000 0.260 16 M C 2.266 178.586 176.300 0.034 0.000 1.068 16 M CA 1.194 56.524 55.300 0.050 0.000 1.109 16 M CB -0.317 32.309 32.600 0.044 0.000 1.342 16 M HN 0.045 nan 8.290 nan 0.000 0.405 17 L N 0.487 121.724 121.223 0.024 0.000 2.042 17 L HA -0.209 4.131 4.340 0.000 0.000 0.210 17 L C 2.329 179.210 176.870 0.018 0.000 1.076 17 L CA 1.927 56.778 54.840 0.018 0.000 0.749 17 L CB -0.518 41.548 42.059 0.013 0.000 0.893 17 L HN 0.163 nan 8.230 nan 0.000 0.432 18 R N -0.621 119.891 120.500 0.020 0.000 2.105 18 R HA -0.110 4.230 4.340 0.000 0.000 0.239 18 R C 2.228 178.541 176.300 0.022 0.000 1.135 18 R CA 1.176 57.288 56.100 0.019 0.000 0.967 18 R CB -1.008 29.305 30.300 0.021 0.000 0.861 18 R HN 0.597 nan 8.270 nan 0.000 0.442 19 G N 0.577 109.395 108.800 0.029 0.000 2.433 19 G HA2 -0.256 3.704 3.960 0.000 0.000 0.216 19 G HA3 -0.256 3.704 3.960 0.000 0.000 0.216 19 G C 1.432 176.344 174.900 0.020 0.000 1.186 19 G CA 0.872 45.989 45.100 0.028 0.000 0.779 19 G HN 0.302 nan 8.290 nan 0.000 0.543 20 V N 0.976 120.902 119.914 0.020 0.000 2.515 20 V HA -0.143 3.977 4.120 0.000 0.000 0.250 20 V C 2.328 178.430 176.094 0.013 0.000 1.058 20 V CA 2.448 64.758 62.300 0.016 0.000 1.064 20 V CB -0.556 31.277 31.823 0.017 0.000 0.675 20 V HN 0.256 nan 8.190 nan 0.000 0.461 21 N N 0.678 119.386 118.700 0.013 0.000 2.104 21 N HA -0.143 4.597 4.740 0.000 0.000 0.190 21 N C 1.791 177.306 175.510 0.009 0.000 1.024 21 N CA 1.974 55.031 53.050 0.011 0.000 0.853 21 N CB -0.672 37.822 38.487 0.011 0.000 1.008 21 N HN 0.511 nan 8.380 nan 0.000 0.424 22 V N 1.330 121.250 119.914 0.010 0.000 2.307 22 V HA -0.173 3.947 4.120 0.000 0.000 0.245 22 V C 2.399 178.496 176.094 0.005 0.000 1.045 22 V CA 1.091 63.396 62.300 0.008 0.000 1.024 22 V CB -0.627 31.202 31.823 0.009 0.000 0.651 22 V HN 0.199 nan 8.190 nan 0.000 0.449 23 L N 0.971 122.198 121.223 0.006 0.000 2.017 23 L HA -0.105 4.235 4.340 0.000 0.000 0.208 23 L C 2.404 179.276 176.870 0.003 0.000 1.073 23 L CA 2.507 57.349 54.840 0.003 0.000 0.745 23 L CB -0.877 41.184 42.059 0.004 0.000 0.894 23 L HN 0.207 nan 8.230 nan 0.000 0.432 24 A N -0.892 121.932 122.820 0.006 0.000 1.897 24 A HA -0.170 4.150 4.320 0.000 0.000 0.215 24 A C 1.962 179.548 177.584 0.005 0.000 1.181 24 A CA 1.643 53.683 52.037 0.006 0.000 0.620 24 A CB -0.844 18.161 19.000 0.008 0.000 0.821 24 A HN 0.528 nan 8.150 nan 0.000 0.443 25 D N 0.197 120.599 120.400 0.005 0.000 2.178 25 D HA -0.017 4.623 4.640 0.000 0.000 0.201 25 D C 2.080 178.381 176.300 0.002 0.000 0.980 25 D CA 1.362 55.364 54.000 0.003 0.000 0.842 25 D CB -0.296 40.506 40.800 0.004 0.000 0.948 25 D HN 0.438 nan 8.370 nan 0.000 0.472 26 A N 0.147 122.968 122.820 0.001 0.000 1.929 26 A HA -0.050 4.270 4.320 0.000 0.000 0.216 26 A C 2.405 179.988 177.584 -0.002 0.000 1.176 26 A CA 0.788 52.824 52.037 -0.001 0.000 0.628 26 A CB -0.384 18.615 19.000 -0.002 0.000 0.816 26 A HN 0.151 nan 8.150 nan 0.000 0.444 27 V N 0.948 120.862 119.914 -0.001 0.000 2.500 27 V HA -0.157 3.963 4.120 0.000 0.000 0.243 27 V C 2.473 178.567 176.094 -0.000 0.000 1.039 27 V CA 1.950 64.248 62.300 -0.002 0.000 1.053 27 V CB -0.396 31.426 31.823 -0.002 0.000 0.695 27 V HN 0.822 nan 8.190 nan 0.000 0.463 28 K N 1.292 121.693 120.400 0.002 0.000 2.362 28 K HA -0.084 4.236 4.320 0.000 0.000 0.200 28 K C 1.733 178.335 176.600 0.003 0.000 1.046 28 K CA 1.692 57.981 56.287 0.004 0.000 0.952 28 K CB -0.493 32.010 32.500 0.005 0.000 0.753 28 K HN 0.481 nan 8.250 nan 0.000 0.466 29 V N -0.133 119.782 119.914 0.001 0.000 2.970 29 V HA -0.118 4.002 4.120 0.000 0.000 0.260 29 V C 2.157 178.251 176.094 0.001 0.000 1.100 29 V CA 1.607 63.908 62.300 0.001 0.000 1.122 29 V CB -0.970 30.853 31.823 -0.000 0.000 0.721 29 V HN 0.519 nan 8.190 nan 0.000 0.483 30 T N -2.243 112.311 114.554 -0.001 0.000 3.081 30 T HA 0.207 4.557 4.350 0.000 0.000 0.255 30 T C 0.633 175.333 174.700 0.000 0.000 1.113 30 T CA -0.027 62.072 62.100 -0.002 0.000 1.082 30 T CB -0.265 68.600 68.868 -0.005 0.000 0.939 30 T HN 0.339 nan 8.240 nan 0.000 0.506 31 L N 2.508 123.733 121.223 0.003 0.000 2.453 31 L HA 0.534 4.874 4.340 0.000 0.000 0.272 31 L C 0.945 177.821 176.870 0.009 0.000 1.182 31 L CA 1.542 56.386 54.840 0.006 0.000 0.858 31 L CB -0.357 41.708 42.059 0.009 0.000 1.120 31 L HN 0.729 nan 8.230 nan 0.000 0.474 32 G N 4.396 113.202 108.800 0.010 0.000 2.756 32 G HA2 -0.150 3.810 3.960 0.000 0.000 0.678 32 G HA3 -0.150 3.810 3.960 0.000 0.000 0.678 32 G C -1.978 172.926 174.900 0.007 0.000 1.349 32 G CA -0.288 44.820 45.100 0.013 0.000 0.847 32 G HN 0.585 nan 8.290 nan 0.000 0.548 33 P HA 0.044 nan 4.420 nan 0.000 0.221 33 P C 0.843 178.143 177.300 -0.000 0.000 1.150 33 P CA 1.164 64.262 63.100 -0.002 0.000 0.800 33 P CB 0.151 31.845 31.700 -0.010 0.000 0.787 34 K N 0.536 120.941 120.400 0.008 0.000 2.681 34 K HA 0.269 4.589 4.320 0.000 0.000 0.211 34 K C 0.975 177.578 176.600 0.006 0.000 1.075 34 K CA -0.182 56.109 56.287 0.007 0.000 1.141 34 K CB 0.439 32.948 32.500 0.014 0.000 0.896 34 K HN 0.048 nan 8.250 nan 0.000 0.470 35 G N 1.448 110.250 108.800 0.004 0.000 2.491 35 G HA2 0.061 4.021 3.960 0.000 0.000 0.238 35 G HA3 0.061 4.021 3.960 0.000 0.000 0.238 35 G C 0.187 175.086 174.900 -0.001 0.000 1.277 35 G CA -0.401 44.700 45.100 0.002 0.000 0.851 35 G HN 0.114 nan 8.290 nan 0.000 0.573 36 R N 0.826 121.325 120.500 -0.001 0.000 2.549 36 R HA 0.175 4.515 4.340 0.000 0.000 0.267 36 R C 0.058 176.354 176.300 -0.006 0.000 1.045 36 R CA -0.669 55.430 56.100 -0.003 0.000 1.115 36 R CB 0.492 30.791 30.300 -0.002 0.000 1.121 36 R HN 0.638 nan 8.270 nan 0.000 0.543 37 N N -0.632 118.064 118.700 -0.007 0.000 2.530 37 N HA 0.211 4.951 4.740 0.000 0.000 0.273 37 N C -0.814 174.691 175.510 -0.010 0.000 1.173 37 N CA -0.274 52.770 53.050 -0.010 0.000 0.967 37 N CB 1.048 39.528 38.487 -0.011 0.000 1.109 37 N HN 0.115 nan 8.380 nan 0.000 0.453 38 V N 2.046 121.953 119.914 -0.011 0.000 2.495 38 V HA 0.325 4.445 4.120 0.000 0.000 0.298 38 V C -0.284 175.801 176.094 -0.015 0.000 1.031 38 V CA -0.839 61.454 62.300 -0.012 0.000 0.871 38 V CB 1.808 33.625 31.823 -0.011 0.000 0.988 38 V HN 0.329 nan 8.190 nan 0.000 0.432 39 V N 6.349 126.253 119.914 -0.016 0.000 2.333 39 V HA 0.419 4.539 4.120 0.000 0.000 0.274 39 V C -0.147 175.935 176.094 -0.021 0.000 1.028 39 V CA -0.371 61.917 62.300 -0.021 0.000 0.851 39 V CB 1.020 32.831 31.823 -0.021 0.000 1.000 39 V HN 0.618 nan 8.190 nan 0.000 0.456 40 L N 3.859 125.067 121.223 -0.024 0.000 2.282 40 L HA 0.544 4.884 4.340 0.000 0.000 0.288 40 L C 0.114 176.966 176.870 -0.030 0.000 1.033 40 L CA -0.480 54.347 54.840 -0.022 0.000 0.807 40 L CB 1.201 43.248 42.059 -0.019 0.000 1.209 40 L HN 0.463 nan 8.230 nan 0.000 0.423 41 D N 3.113 123.498 120.400 -0.024 0.000 2.345 41 D HA 0.141 4.781 4.640 0.000 0.000 0.247 41 D C -0.523 175.761 176.300 -0.027 0.000 1.108 41 D CA -0.057 53.925 54.000 -0.030 0.000 0.894 41 D CB 1.319 42.108 40.800 -0.019 0.000 1.203 41 D HN 0.390 nan 8.370 nan 0.000 0.430 42 K N 0.733 121.103 120.400 -0.050 0.000 2.358 42 K HA 0.204 4.524 4.320 0.000 0.000 0.260 42 K C 0.687 177.288 176.600 0.001 0.000 0.956 42 K CA -0.560 55.705 56.287 -0.037 0.000 0.834 42 K CB 0.839 33.248 32.500 -0.150 0.000 1.102 42 K HN 0.291 nan 8.250 nan 0.000 0.431 43 S N 3.729 119.485 115.700 0.093 0.000 2.711 43 S HA -0.019 4.451 4.470 0.000 0.000 0.237 43 S C 0.046 174.779 174.600 0.222 0.000 0.971 43 S CA -0.043 58.229 58.200 0.120 0.000 0.964 43 S CB -1.023 62.240 63.200 0.105 0.000 0.775 43 S HN 0.478 nan 8.310 nan 0.000 0.540 44 F N -2.430 117.518 119.950 -0.003 0.000 2.641 44 F HA 0.717 5.245 4.527 0.000 0.000 0.308 44 F C 0.338 176.137 175.800 -0.003 0.000 1.105 44 F CA -0.517 57.481 58.000 -0.002 0.000 0.964 44 F CB 0.735 39.734 39.000 -0.002 0.000 1.294 44 F HN 0.342 nan 8.300 nan 0.000 0.442 45 G N 1.343 110.010 108.800 -0.223 0.000 2.552 45 G HA2 0.240 4.200 3.960 0.000 0.000 0.265 45 G HA3 0.240 4.200 3.960 0.000 0.000 0.265 45 G C -0.079 174.659 174.900 -0.270 0.000 1.234 45 G CA 0.320 45.233 45.100 -0.312 0.000 0.944 45 G HN 2.107 nan 8.290 nan 0.000 0.568 46 A N 1.339 124.000 122.820 -0.266 0.000 2.425 46 A HA 0.678 4.998 4.320 0.000 0.000 0.249 46 A C -1.382 176.089 177.584 -0.187 0.000 1.084 46 A CA 0.037 51.968 52.037 -0.176 0.000 0.781 46 A CB -0.047 18.874 19.000 -0.132 0.000 1.019 46 A HN 0.699 nan 8.150 nan 0.000 0.490 47 P HA 0.294 nan 4.420 nan 0.000 0.274 47 P C -0.341 176.907 177.300 -0.086 0.000 1.237 47 P CA -0.103 62.938 63.100 -0.098 0.000 0.793 47 P CB 0.510 32.171 31.700 -0.065 0.000 0.977 48 T N 2.342 116.853 114.554 -0.071 0.000 2.780 48 T HA 0.405 4.755 4.350 0.000 0.000 0.294 48 T C 0.394 175.070 174.700 -0.040 0.000 0.949 48 T CA -0.091 61.976 62.100 -0.054 0.000 1.074 48 T CB -0.223 68.619 68.868 -0.044 0.000 0.910 48 T HN 0.176 nan 8.240 nan 0.000 0.501 49 I N 2.949 123.498 120.570 -0.035 0.000 2.321 49 I HA 0.474 4.644 4.170 0.000 0.000 0.291 49 I C 0.555 176.658 176.117 -0.023 0.000 0.998 49 I CA -0.370 60.914 61.300 -0.027 0.000 1.227 49 I CB 1.621 39.606 38.000 -0.026 0.000 1.368 49 I HN 0.503 nan 8.210 nan 0.000 0.466 50 T N 4.476 119.018 114.554 -0.020 0.000 2.900 50 T HA 0.387 4.737 4.350 0.000 0.000 0.303 50 T C 0.015 174.706 174.700 -0.015 0.000 1.142 50 T CA -0.637 61.452 62.100 -0.018 0.000 1.007 50 T CB 1.559 70.415 68.868 -0.019 0.000 1.156 50 T HN 0.645 nan 8.240 nan 0.000 0.490 51 K N 1.481 121.873 120.400 -0.014 0.000 2.414 51 K HA 0.190 4.510 4.320 0.000 0.000 0.204 51 K C -0.530 176.063 176.600 -0.012 0.000 1.026 51 K CA -0.302 55.978 56.287 -0.012 0.000 1.108 51 K CB 0.474 32.967 32.500 -0.011 0.000 0.855 51 K HN 0.407 nan 8.250 nan 0.000 0.517 52 D N 0.372 120.763 120.400 -0.015 0.000 2.380 52 D HA 0.098 4.738 4.640 0.000 0.000 0.230 52 D C 1.136 177.427 176.300 -0.015 0.000 1.154 52 D CA -0.163 53.827 54.000 -0.016 0.000 0.859 52 D CB 1.309 42.097 40.800 -0.020 0.000 1.045 52 D HN 0.200 nan 8.370 nan 0.000 0.495 53 G N 2.536 111.328 108.800 -0.013 0.000 2.462 53 G HA2 -0.201 3.759 3.960 0.000 0.000 0.220 53 G HA3 -0.201 3.759 3.960 0.000 0.000 0.220 53 G C 1.497 176.389 174.900 -0.014 0.000 1.121 53 G CA 0.643 45.736 45.100 -0.011 0.000 0.758 53 G HN 0.483 nan 8.290 nan 0.000 0.559 54 V N 0.979 120.882 119.914 -0.018 0.000 2.358 54 V HA -0.162 3.958 4.120 0.000 0.000 0.246 54 V C 3.073 179.154 176.094 -0.021 0.000 1.047 54 V CA 2.143 64.430 62.300 -0.022 0.000 1.035 54 V CB -0.488 31.319 31.823 -0.027 0.000 0.658 54 V HN 0.365 nan 8.190 nan 0.000 0.452 55 S N 0.037 115.725 115.700 -0.020 0.000 2.368 55 S HA -0.170 4.300 4.470 0.000 0.000 0.225 55 S C 2.019 176.609 174.600 -0.017 0.000 1.030 55 S CA 1.534 59.722 58.200 -0.019 0.000 0.999 55 S CB -0.248 62.940 63.200 -0.019 0.000 0.844 55 S HN 0.391 nan 8.310 nan 0.000 0.459 56 V N 2.076 121.981 119.914 -0.015 0.000 2.295 56 V HA -0.192 3.928 4.120 0.000 0.000 0.246 56 V C 2.694 178.781 176.094 -0.012 0.000 1.049 56 V CA 1.676 63.968 62.300 -0.013 0.000 1.024 56 V CB -1.305 30.512 31.823 -0.011 0.000 0.648 56 V HN 0.541 nan 8.190 nan 0.000 0.447 57 A N -0.151 122.661 122.820 -0.014 0.000 1.908 57 A HA -0.284 4.036 4.320 0.000 0.000 0.218 57 A C 2.358 179.932 177.584 -0.016 0.000 1.181 57 A CA 2.153 54.182 52.037 -0.014 0.000 0.627 57 A CB -0.601 18.389 19.000 -0.016 0.000 0.818 57 A HN 0.481 nan 8.150 nan 0.000 0.445 58 R N -0.507 119.982 120.500 -0.019 0.000 2.103 58 R HA -0.157 4.183 4.340 0.000 0.000 0.242 58 R C 1.933 178.223 176.300 -0.017 0.000 1.142 58 R CA 1.679 57.767 56.100 -0.021 0.000 0.960 58 R CB -0.164 30.122 30.300 -0.023 0.000 0.858 58 R HN 0.535 nan 8.270 nan 0.000 0.439 59 E N 0.130 120.322 120.200 -0.013 0.000 2.285 59 E HA -0.050 4.300 4.350 0.000 0.000 0.194 59 E C 0.368 176.963 176.600 -0.008 0.000 0.997 59 E CA 0.319 56.713 56.400 -0.010 0.000 0.845 59 E CB 0.112 29.807 29.700 -0.008 0.000 0.782 59 E HN 0.217 nan 8.360 nan 0.000 0.491 60 I N 2.498 123.063 120.570 -0.009 0.000 2.578 60 I HA 0.039 4.209 4.170 0.000 0.000 0.286 60 I C 0.435 176.548 176.117 -0.007 0.000 1.126 60 I CA 0.547 61.843 61.300 -0.006 0.000 1.380 60 I CB -0.435 37.562 38.000 -0.005 0.000 1.408 60 I HN -0.016 nan 8.210 nan 0.000 0.532 61 E N 7.064 127.261 120.200 -0.005 0.000 2.304 61 E HA 0.529 4.879 4.350 0.000 0.000 0.277 61 E C -1.690 174.907 176.600 -0.004 0.000 0.898 61 E CA -0.631 55.766 56.400 -0.006 0.000 0.764 61 E CB 2.102 31.798 29.700 -0.008 0.000 1.216 61 E HN 0.430 nan 8.360 nan 0.000 0.419 62 L N 3.338 124.559 121.223 -0.003 0.000 2.330 62 L HA 0.381 4.721 4.340 0.000 0.000 0.271 62 L C 1.421 178.290 176.870 -0.001 0.000 1.013 62 L CA -0.462 54.379 54.840 0.002 0.000 0.816 62 L CB 1.700 43.764 42.059 0.009 0.000 1.287 62 L HN 0.749 nan 8.230 nan 0.000 0.435 63 E N 0.852 121.054 120.200 0.004 0.000 2.047 63 E HA -0.171 4.179 4.350 0.000 0.000 0.191 63 E C 0.520 177.123 176.600 0.004 0.000 0.987 63 E CA 0.585 56.986 56.400 0.002 0.000 0.799 63 E CB 0.245 29.950 29.700 0.007 0.000 0.752 63 E HN 0.646 nan 8.360 nan 0.000 0.449 64 D N 0.761 121.175 120.400 0.023 0.000 2.412 64 D HA -0.062 4.578 4.640 0.000 0.000 0.257 64 D C 0.492 176.805 176.300 0.022 0.000 1.217 64 D CA 0.245 54.273 54.000 0.048 0.000 0.897 64 D CB 0.870 41.720 40.800 0.083 0.000 1.132 64 D HN 0.133 nan 8.370 nan 0.000 0.493 65 K N 3.118 123.491 120.400 -0.045 0.000 2.209 65 K HA -0.132 4.188 4.320 0.000 0.000 0.204 65 K C 1.713 178.178 176.600 -0.225 0.000 1.048 65 K CA 0.979 57.158 56.287 -0.180 0.000 0.940 65 K CB 0.054 32.368 32.500 -0.309 0.000 0.729 65 K HN 0.460 nan 8.250 nan 0.000 0.451 66 F N 1.630 121.569 119.950 -0.018 0.000 2.187 66 F HA -0.060 4.467 4.527 0.000 0.000 0.295 66 F C 2.276 178.066 175.800 -0.015 0.000 1.091 66 F CA 1.004 58.991 58.000 -0.022 0.000 1.308 66 F CB -0.309 38.676 39.000 -0.025 0.000 1.030 66 F HN 0.024 nan 8.300 nan 0.000 0.487 67 E N 0.103 120.408 120.200 0.175 0.000 2.085 67 E HA -0.266 4.084 4.350 0.000 0.000 0.194 67 E C 1.822 178.452 176.600 0.050 0.000 0.994 67 E CA 1.422 57.877 56.400 0.092 0.000 0.801 67 E CB -0.394 29.348 29.700 0.070 0.000 0.743 67 E HN 0.325 nan 8.360 nan 0.000 0.453 68 N N 0.658 119.373 118.700 0.025 0.000 2.120 68 N HA -0.166 4.574 4.740 0.000 0.000 0.188 68 N C 1.786 177.293 175.510 -0.005 0.000 1.024 68 N CA 1.299 54.349 53.050 -0.001 0.000 0.852 68 N CB -0.019 38.454 38.487 -0.023 0.000 1.003 68 N HN 0.058 nan 8.380 nan 0.000 0.424 69 M N -0.474 119.120 119.600 -0.010 0.000 2.082 69 M HA -0.101 4.379 4.480 0.000 0.000 0.258 69 M C 2.207 178.516 176.300 0.015 0.000 1.069 69 M CA 1.894 57.190 55.300 -0.007 0.000 1.102 69 M CB -0.793 31.801 32.600 -0.009 0.000 1.336 69 M HN 0.355 nan 8.290 nan 0.000 0.404 70 G N -0.152 108.669 108.800 0.035 0.000 2.529 70 G HA2 -0.254 3.706 3.960 0.000 0.000 0.219 70 G HA3 -0.254 3.706 3.960 0.000 0.000 0.219 70 G C 1.586 176.498 174.900 0.020 0.000 1.177 70 G CA 1.320 46.440 45.100 0.033 0.000 0.773 70 G HN 0.577 nan 8.290 nan 0.000 0.573 71 A N -0.166 122.663 122.820 0.016 0.000 1.877 71 A HA -0.075 4.245 4.320 0.000 0.000 0.216 71 A C 2.405 179.991 177.584 0.002 0.000 1.186 71 A CA 2.063 54.105 52.037 0.008 0.000 0.620 71 A CB -0.406 18.597 19.000 0.006 0.000 0.822 71 A HN 0.332 nan 8.150 nan 0.000 0.443 72 Q N -0.772 119.027 119.800 -0.002 0.000 2.224 72 Q HA -0.071 4.269 4.340 0.000 0.000 0.203 72 Q C 2.063 178.060 176.000 -0.005 0.000 0.970 72 Q CA 1.230 57.029 55.803 -0.007 0.000 0.865 72 Q CB -0.488 28.242 28.738 -0.013 0.000 0.922 72 Q HN 0.771 nan 8.270 nan 0.000 0.445 73 M N -0.352 119.249 119.600 0.002 0.000 2.077 73 M HA -0.129 4.351 4.480 0.000 0.000 0.261 73 M C 2.261 178.566 176.300 0.009 0.000 1.070 73 M CA 1.360 56.664 55.300 0.008 0.000 1.125 73 M CB -0.303 32.306 32.600 0.015 0.000 1.339 73 M HN 0.156 nan 8.290 nan 0.000 0.409 74 V N -0.264 119.657 119.914 0.011 0.000 2.548 74 V HA -0.218 3.902 4.120 0.000 0.000 0.249 74 V C 2.018 178.111 176.094 -0.002 0.000 1.055 74 V CA 1.821 64.129 62.300 0.013 0.000 1.065 74 V CB -0.526 31.308 31.823 0.018 0.000 0.681 74 V HN 0.432 nan 8.190 nan 0.000 0.462 75 K N -0.509 119.887 120.400 -0.007 0.000 2.063 75 K HA -0.189 4.131 4.320 0.000 0.000 0.208 75 K C 2.262 178.842 176.600 -0.034 0.000 1.048 75 K CA 2.016 58.292 56.287 -0.019 0.000 0.928 75 K CB -0.093 32.397 32.500 -0.016 0.000 0.713 75 K HN 0.500 nan 8.250 nan 0.000 0.442 76 E N -0.052 120.129 120.200 -0.031 0.000 2.072 76 E HA -0.132 4.218 4.350 0.000 0.000 0.190 76 E C 2.070 178.620 176.600 -0.083 0.000 0.982 76 E CA 1.316 57.687 56.400 -0.047 0.000 0.803 76 E CB -0.211 29.472 29.700 -0.029 0.000 0.755 76 E HN 0.322 nan 8.360 nan 0.000 0.453 77 V N -0.769 119.108 119.914 -0.061 0.000 2.591 77 V HA 0.075 4.195 4.120 0.000 0.000 0.249 77 V C 2.228 178.204 176.094 -0.197 0.000 1.053 77 V CA 1.562 63.800 62.300 -0.102 0.000 1.068 77 V CB -0.541 31.316 31.823 0.057 0.000 0.689 77 V HN 0.114 nan 8.190 nan 0.000 0.462 78 A N 1.798 124.564 122.820 -0.091 0.000 1.933 78 A HA -0.155 4.165 4.320 0.000 0.000 0.218 78 A C 2.594 180.099 177.584 -0.130 0.000 1.175 78 A CA 2.514 54.505 52.037 -0.076 0.000 0.628 78 A CB -1.089 17.895 19.000 -0.026 0.000 0.814 78 A HN 1.014 nan 8.150 nan 0.000 0.444 79 S N -0.161 115.460 115.700 -0.132 0.000 2.423 79 S HA -0.127 4.343 4.470 0.000 0.000 0.231 79 S C 1.755 176.240 174.600 -0.192 0.000 1.014 79 S CA 1.270 59.396 58.200 -0.123 0.000 0.965 79 S CB -0.321 62.828 63.200 -0.086 0.000 0.785 79 S HN 0.581 nan 8.310 nan 0.000 0.495 80 K N 1.473 121.663 120.400 -0.350 0.000 2.148 80 K HA 0.088 4.408 4.320 0.000 0.000 0.204 80 K C 2.524 178.810 176.600 -0.523 0.000 1.050 80 K CA 1.028 57.003 56.287 -0.519 0.000 0.942 80 K CB -0.561 31.423 32.500 -0.859 0.000 0.724 80 K HN 0.520 nan 8.250 nan 0.000 0.446 81 A N 1.911 124.443 122.820 -0.481 0.000 1.883 81 A HA -0.242 4.078 4.320 0.000 0.000 0.217 81 A C 1.933 179.506 177.584 -0.017 0.000 1.186 81 A CA 2.012 54.000 52.037 -0.081 0.000 0.624 81 A CB -0.738 18.291 19.000 0.049 0.000 0.822 81 A HN 0.338 nan 8.150 nan 0.000 0.444 82 N N -0.323 118.348 118.700 -0.048 0.000 2.244 82 N HA -0.126 4.614 4.740 0.000 0.000 0.183 82 N C 1.174 176.689 175.510 0.008 0.000 1.016 82 N CA 1.342 54.385 53.050 -0.012 0.000 0.866 82 N CB -0.099 38.371 38.487 -0.028 0.000 0.980 82 N HN 0.420 nan 8.380 nan 0.000 0.430 83 D N -0.148 120.237 120.400 -0.026 0.000 2.117 83 D HA -0.101 4.539 4.640 0.000 0.000 0.197 83 D C 1.687 178.004 176.300 0.028 0.000 0.987 83 D CA 1.111 55.109 54.000 -0.004 0.000 0.829 83 D CB -0.264 40.508 40.800 -0.047 0.000 0.961 83 D HN 0.371 nan 8.370 nan 0.000 0.460 84 A N 0.318 123.158 122.820 0.033 0.000 1.970 84 A HA 0.247 4.567 4.320 0.000 0.000 0.216 84 A C 2.021 179.645 177.584 0.067 0.000 1.170 84 A CA 1.658 53.734 52.037 0.066 0.000 0.645 84 A CB 0.065 19.145 19.000 0.133 0.000 0.816 84 A HN 0.233 nan 8.150 nan 0.000 0.447 85 A N -3.057 119.810 122.820 0.078 0.000 2.390 85 A HA 0.471 4.791 4.320 0.000 0.000 0.225 85 A C 1.640 179.288 177.584 0.107 0.000 1.232 85 A CA 1.032 53.117 52.037 0.079 0.000 0.964 85 A CB -0.132 18.913 19.000 0.075 0.000 1.064 85 A HN 1.808 nan 8.150 nan 0.000 0.525 86 G N -0.817 108.063 108.800 0.133 0.000 2.159 86 G HA2 -0.158 3.802 3.960 0.000 0.000 0.256 86 G HA3 -0.158 3.802 3.960 0.000 0.000 0.256 86 G C -0.199 174.726 174.900 0.041 0.000 0.977 86 G CA 0.604 45.790 45.100 0.143 0.000 0.652 86 G HN 0.859 nan 8.290 nan 0.000 0.531 87 D N -2.742 117.681 120.400 0.039 0.000 2.742 87 D HA 0.577 5.217 4.640 0.000 0.000 0.262 87 D C 0.795 177.111 176.300 0.027 0.000 1.240 87 D CA 1.345 55.358 54.000 0.021 0.000 0.752 87 D CB 0.514 41.328 40.800 0.024 0.000 1.290 87 D HN 1.345 nan 8.370 nan 0.000 0.420 88 G N 0.063 108.875 108.800 0.021 0.000 2.192 88 G HA2 -0.250 3.711 3.960 0.000 0.000 0.193 88 G HA3 -0.250 3.711 3.960 0.000 0.000 0.193 88 G C 1.136 176.050 174.900 0.023 0.000 0.999 88 G CA 0.730 45.848 45.100 0.030 0.000 0.659 88 G HN 0.552 nan 8.290 nan 0.000 0.503 89 T N 1.178 115.734 114.554 0.004 0.000 2.684 89 T HA -0.111 4.239 4.350 0.000 0.000 0.267 89 T C 2.574 177.275 174.700 0.001 0.000 1.036 89 T CA 2.576 64.671 62.100 -0.008 0.000 1.148 89 T CB -0.403 68.451 68.868 -0.023 0.000 0.863 89 T HN 0.451 nan 8.240 nan 0.000 0.436 90 T N 1.544 116.099 114.554 0.002 0.000 2.708 90 T HA -0.104 4.247 4.350 0.000 0.000 0.266 90 T C 2.262 176.970 174.700 0.013 0.000 1.037 90 T CA 1.674 63.777 62.100 0.005 0.000 1.146 90 T CB -0.701 68.168 68.868 0.003 0.000 0.865 90 T HN 0.415 nan 8.240 nan 0.000 0.435 91 T N 2.196 116.761 114.554 0.018 0.000 2.684 91 T HA -0.080 4.270 4.350 0.000 0.000 0.267 91 T C 2.413 177.131 174.700 0.031 0.000 1.036 91 T CA 1.250 63.365 62.100 0.024 0.000 1.148 91 T CB -0.634 68.251 68.868 0.029 0.000 0.863 91 T HN 0.437 nan 8.240 nan 0.000 0.436 92 A N 1.425 124.268 122.820 0.038 0.000 1.908 92 A HA -0.154 4.166 4.320 0.000 0.000 0.218 92 A C 2.567 180.175 177.584 0.039 0.000 1.181 92 A CA 2.184 54.252 52.037 0.052 0.000 0.627 92 A CB -1.299 17.741 19.000 0.066 0.000 0.818 92 A HN 0.506 nan 8.150 nan 0.000 0.445 93 T N -0.233 114.336 114.554 0.024 0.000 2.708 93 T HA -0.137 4.213 4.350 0.000 0.000 0.266 93 T C 2.002 176.713 174.700 0.019 0.000 1.037 93 T CA 1.947 64.058 62.100 0.018 0.000 1.146 93 T CB -0.817 68.057 68.868 0.009 0.000 0.865 93 T HN 0.708 nan 8.240 nan 0.000 0.435 94 V N 0.550 120.475 119.914 0.017 0.000 2.515 94 V HA -0.007 4.113 4.120 0.000 0.000 0.250 94 V C 2.178 178.283 176.094 0.018 0.000 1.058 94 V CA 1.329 63.639 62.300 0.016 0.000 1.064 94 V CB -0.989 30.842 31.823 0.013 0.000 0.675 94 V HN 0.448 nan 8.190 nan 0.000 0.461 95 L N 0.643 121.879 121.223 0.023 0.000 2.027 95 L HA -0.008 4.332 4.340 0.000 0.000 0.206 95 L C 3.091 179.976 176.870 0.025 0.000 1.074 95 L CA 1.746 56.601 54.840 0.025 0.000 0.745 95 L CB -0.962 41.115 42.059 0.031 0.000 0.898 95 L HN 0.429 nan 8.230 nan 0.000 0.433 96 A N -0.463 122.375 122.820 0.029 0.000 1.892 96 A HA -0.332 3.988 4.320 0.000 0.000 0.218 96 A C 2.257 179.855 177.584 0.022 0.000 1.188 96 A CA 2.177 54.232 52.037 0.029 0.000 0.631 96 A CB -0.747 18.273 19.000 0.033 0.000 0.822 96 A HN 0.526 nan 8.150 nan 0.000 0.447 97 Q N -0.676 119.135 119.800 0.019 0.000 2.096 97 Q HA -0.166 4.174 4.340 0.000 0.000 0.204 97 Q C 2.186 178.195 176.000 0.014 0.000 0.982 97 Q CA 1.799 57.611 55.803 0.016 0.000 0.850 97 Q CB -0.348 28.398 28.738 0.013 0.000 0.901 97 Q HN 0.622 nan 8.270 nan 0.000 0.422 98 A N 0.579 123.407 122.820 0.014 0.000 1.898 98 A HA -0.133 4.187 4.320 0.000 0.000 0.216 98 A C 1.962 179.553 177.584 0.012 0.000 1.181 98 A CA 1.278 53.322 52.037 0.012 0.000 0.620 98 A CB -0.552 18.455 19.000 0.012 0.000 0.819 98 A HN 0.470 nan 8.150 nan 0.000 0.442 99 I N -0.428 120.151 120.570 0.014 0.000 2.163 99 I HA -0.230 3.940 4.170 0.000 0.000 0.240 99 I C 2.305 178.430 176.117 0.014 0.000 1.081 99 I CA 1.296 62.604 61.300 0.014 0.000 1.353 99 I CB -0.432 37.577 38.000 0.016 0.000 1.054 99 I HN 0.261 nan 8.210 nan 0.000 0.407 100 I N 0.556 121.136 120.570 0.016 0.000 2.163 100 I HA -0.305 3.866 4.170 0.000 0.000 0.243 100 I C 2.626 178.751 176.117 0.013 0.000 1.085 100 I CA 1.727 63.036 61.300 0.015 0.000 1.347 100 I CB -0.722 37.289 38.000 0.017 0.000 1.044 100 I HN 0.248 nan 8.210 nan 0.000 0.408 101 T N 0.216 114.777 114.554 0.011 0.000 2.635 101 T HA -0.192 4.158 4.350 0.000 0.000 0.267 101 T C 1.841 176.546 174.700 0.008 0.000 1.040 101 T CA 1.474 63.579 62.100 0.009 0.000 1.156 101 T CB -0.208 68.665 68.868 0.008 0.000 0.863 101 T HN 0.320 nan 8.240 nan 0.000 0.430 102 E N 0.512 120.717 120.200 0.008 0.000 2.072 102 E HA 0.008 4.358 4.350 0.000 0.000 0.190 102 E C 2.608 179.212 176.600 0.007 0.000 0.982 102 E CA 0.970 57.375 56.400 0.007 0.000 0.803 102 E CB -0.810 28.894 29.700 0.007 0.000 0.755 102 E HN 0.559 nan 8.360 nan 0.000 0.453 103 G N 1.681 110.486 108.800 0.009 0.000 2.446 103 G HA2 -0.236 3.724 3.960 0.000 0.000 0.217 103 G HA3 -0.236 3.724 3.960 0.000 0.000 0.217 103 G C 1.722 176.627 174.900 0.009 0.000 1.168 103 G CA 0.614 45.720 45.100 0.009 0.000 0.771 103 G HN 0.168 nan 8.290 nan 0.000 0.551 104 L N -0.270 120.959 121.223 0.009 0.000 2.141 104 L HA -0.006 4.334 4.340 0.000 0.000 0.209 104 L C 2.930 179.804 176.870 0.007 0.000 1.094 104 L CA 1.026 55.871 54.840 0.009 0.000 0.763 104 L CB -0.334 41.730 42.059 0.009 0.000 0.908 104 L HN 0.209 nan 8.230 nan 0.000 0.437 105 K N 0.312 120.716 120.400 0.006 0.000 2.063 105 K HA -0.158 4.162 4.320 0.000 0.000 0.208 105 K C 2.241 178.843 176.600 0.004 0.000 1.048 105 K CA 1.447 57.737 56.287 0.005 0.000 0.928 105 K CB -0.211 32.291 32.500 0.004 0.000 0.713 105 K HN 0.280 nan 8.250 nan 0.000 0.442 106 A N 0.763 123.586 122.820 0.005 0.000 1.930 106 A HA -0.101 4.219 4.320 0.000 0.000 0.217 106 A C 2.315 179.902 177.584 0.005 0.000 1.175 106 A CA 1.245 53.285 52.037 0.005 0.000 0.627 106 A CB -0.512 18.491 19.000 0.005 0.000 0.815 106 A HN 0.070 nan 8.150 nan 0.000 0.443 107 V N -0.111 119.807 119.914 0.007 0.000 2.343 107 V HA -0.234 3.886 4.120 0.000 0.000 0.247 107 V C 3.015 179.113 176.094 0.006 0.000 1.051 107 V CA 1.872 64.177 62.300 0.008 0.000 1.036 107 V CB -1.163 30.666 31.823 0.010 0.000 0.654 107 V HN 0.596 nan 8.190 nan 0.000 0.451 108 A N -0.067 122.757 122.820 0.005 0.000 2.015 108 A HA -0.022 4.298 4.320 0.000 0.000 0.219 108 A C 2.324 179.909 177.584 0.003 0.000 1.163 108 A CA 1.705 53.744 52.037 0.004 0.000 0.646 108 A CB -0.568 18.433 19.000 0.003 0.000 0.806 108 A HN 0.570 nan 8.150 nan 0.000 0.448 109 A N -1.777 121.045 122.820 0.003 0.000 2.119 109 A HA 0.365 4.685 4.320 0.000 0.000 0.217 109 A C 1.797 179.383 177.584 0.002 0.000 1.153 109 A CA 1.471 53.510 52.037 0.002 0.000 0.692 109 A CB -0.734 18.267 19.000 0.002 0.000 0.799 109 A HN 1.866 nan 8.150 nan 0.000 0.458 110 G N -2.089 106.713 108.800 0.003 0.000 2.138 110 G HA2 -0.173 3.787 3.960 0.000 0.000 0.193 110 G HA3 -0.173 3.787 3.960 0.000 0.000 0.193 110 G C 0.052 174.954 174.900 0.003 0.000 0.998 110 G CA 0.072 45.173 45.100 0.003 0.000 0.668 110 G HN 0.338 nan 8.290 nan 0.000 0.516 111 M N 0.678 120.281 119.600 0.004 0.000 2.255 111 M HA 0.279 4.759 4.480 0.000 0.000 0.336 111 M C 0.666 176.970 176.300 0.006 0.000 1.135 111 M CA -0.611 54.692 55.300 0.004 0.000 1.145 111 M CB 0.592 33.195 32.600 0.004 0.000 1.473 111 M HN 0.142 nan 8.290 nan 0.000 0.462 112 N N 2.762 121.465 118.700 0.006 0.000 2.452 112 N HA 0.089 4.829 4.740 0.000 0.000 0.266 112 N C -2.068 173.447 175.510 0.008 0.000 1.175 112 N CA -1.176 51.878 53.050 0.007 0.000 0.945 112 N CB 1.144 39.635 38.487 0.006 0.000 1.063 112 N HN 0.301 nan 8.380 nan 0.000 0.472 113 P HA -0.090 nan 4.420 nan 0.000 0.217 113 P C 1.607 178.913 177.300 0.011 0.000 1.150 113 P CA 1.130 64.237 63.100 0.012 0.000 0.832 113 P CB 0.256 31.965 31.700 0.015 0.000 0.787 114 M N -0.743 118.863 119.600 0.011 0.000 2.132 114 M HA -0.112 4.368 4.480 0.000 0.000 0.263 114 M C 1.470 177.775 176.300 0.007 0.000 1.065 114 M CA 1.603 56.909 55.300 0.009 0.000 1.122 114 M CB -1.636 30.969 32.600 0.009 0.000 1.365 114 M HN -0.031 nan 8.290 nan 0.000 0.411 115 D N 0.477 120.881 120.400 0.006 0.000 2.117 115 D HA -0.056 4.584 4.640 0.000 0.000 0.198 115 D C 2.302 178.605 176.300 0.005 0.000 0.982 115 D CA 0.973 54.976 54.000 0.005 0.000 0.828 115 D CB -0.159 40.644 40.800 0.004 0.000 0.967 115 D HN 0.311 nan 8.370 nan 0.000 0.464 116 L N 0.714 121.941 121.223 0.006 0.000 2.042 116 L HA -0.177 4.163 4.340 0.000 0.000 0.210 116 L C 2.528 179.402 176.870 0.006 0.000 1.076 116 L CA 1.156 56.000 54.840 0.006 0.000 0.749 116 L CB -0.310 41.753 42.059 0.007 0.000 0.893 116 L HN -0.024 nan 8.230 nan 0.000 0.432 117 K N 0.246 120.650 120.400 0.007 0.000 2.026 117 K HA -0.223 4.097 4.320 0.000 0.000 0.208 117 K C 2.354 178.956 176.600 0.004 0.000 1.048 117 K CA 1.364 57.655 56.287 0.007 0.000 0.929 117 K CB -0.012 32.493 32.500 0.008 0.000 0.713 117 K HN 0.082 nan 8.250 nan 0.000 0.439 118 R N -0.320 120.182 120.500 0.003 0.000 2.096 118 R HA -0.096 4.244 4.340 0.000 0.000 0.235 118 R C 2.251 178.551 176.300 0.001 0.000 1.127 118 R CA 1.572 57.673 56.100 0.001 0.000 0.968 118 R CB -0.413 29.888 30.300 0.002 0.000 0.861 118 R HN 0.386 nan 8.270 nan 0.000 0.440 119 G N 0.756 109.557 108.800 0.002 0.000 2.421 119 G HA2 -0.243 3.717 3.960 0.000 0.000 0.216 119 G HA3 -0.243 3.717 3.960 0.000 0.000 0.216 119 G C 1.405 176.306 174.900 0.001 0.000 1.171 119 G CA 0.854 45.955 45.100 0.002 0.000 0.775 119 G HN 0.241 nan 8.290 nan 0.000 0.543 120 I N 1.139 121.711 120.570 0.002 0.000 2.151 120 I HA -0.184 3.986 4.170 0.000 0.000 0.243 120 I C 2.360 178.476 176.117 -0.001 0.000 1.080 120 I CA 1.451 62.753 61.300 0.002 0.000 1.339 120 I CB -0.171 37.832 38.000 0.005 0.000 1.039 120 I HN 0.058 nan 8.210 nan 0.000 0.409 121 D N 0.585 120.984 120.400 -0.003 0.000 2.117 121 D HA -0.211 4.429 4.640 0.000 0.000 0.197 121 D C 2.075 178.370 176.300 -0.008 0.000 0.987 121 D CA 1.186 55.182 54.000 -0.007 0.000 0.829 121 D CB -0.244 40.551 40.800 -0.008 0.000 0.961 121 D HN 0.285 nan 8.370 nan 0.000 0.460 122 K N 0.711 121.108 120.400 -0.005 0.000 2.026 122 K HA -0.117 4.204 4.320 0.000 0.000 0.208 122 K C 2.029 178.626 176.600 -0.004 0.000 1.048 122 K CA 1.370 57.654 56.287 -0.004 0.000 0.929 122 K CB -0.072 32.426 32.500 -0.002 0.000 0.713 122 K HN 0.023 nan 8.250 nan 0.000 0.439 123 A N 0.535 123.353 122.820 -0.002 0.000 1.908 123 A HA -0.128 4.192 4.320 0.000 0.000 0.218 123 A C 2.243 179.825 177.584 -0.003 0.000 1.181 123 A CA 1.780 53.817 52.037 -0.001 0.000 0.627 123 A CB -0.663 18.338 19.000 0.001 0.000 0.818 123 A HN 0.192 nan 8.150 nan 0.000 0.445 124 V N -0.321 119.590 119.914 -0.006 0.000 2.358 124 V HA -0.209 3.911 4.120 0.000 0.000 0.246 124 V C 2.752 178.838 176.094 -0.014 0.000 1.047 124 V CA 2.414 64.708 62.300 -0.010 0.000 1.035 124 V CB -1.235 30.578 31.823 -0.016 0.000 0.658 124 V HN 0.624 nan 8.190 nan 0.000 0.452 125 T N 0.668 115.213 114.554 -0.014 0.000 2.684 125 T HA -0.218 4.133 4.350 0.000 0.000 0.267 125 T C 2.065 176.760 174.700 -0.009 0.000 1.036 125 T CA 1.762 63.854 62.100 -0.015 0.000 1.148 125 T CB -0.499 68.361 68.868 -0.013 0.000 0.863 125 T HN 0.569 nan 8.240 nan 0.000 0.436 126 A N 1.391 124.207 122.820 -0.006 0.000 1.933 126 A HA 0.149 4.469 4.320 0.000 0.000 0.218 126 A C 2.643 180.227 177.584 -0.001 0.000 1.175 126 A CA 1.857 53.893 52.037 -0.002 0.000 0.628 126 A CB -1.071 17.929 19.000 -0.001 0.000 0.814 126 A HN 0.523 nan 8.150 nan 0.000 0.444 127 A N -0.631 122.188 122.820 -0.001 0.000 1.898 127 A HA 0.029 4.350 4.320 0.000 0.000 0.216 127 A C 2.216 179.800 177.584 0.001 0.000 1.181 127 A CA 1.671 53.709 52.037 0.002 0.000 0.620 127 A CB -0.895 18.106 19.000 0.002 0.000 0.819 127 A HN 0.373 nan 8.150 nan 0.000 0.442 128 V N 0.401 120.312 119.914 -0.005 0.000 2.343 128 V HA -0.221 3.900 4.120 0.000 0.000 0.247 128 V C 2.574 178.667 176.094 -0.003 0.000 1.051 128 V CA 2.150 64.446 62.300 -0.007 0.000 1.036 128 V CB -0.707 31.106 31.823 -0.017 0.000 0.654 128 V HN 0.504 nan 8.190 nan 0.000 0.451 129 E N -0.133 120.066 120.200 -0.002 0.000 2.077 129 E HA -0.236 4.114 4.350 0.000 0.000 0.193 129 E C 2.207 178.810 176.600 0.004 0.000 0.989 129 E CA 1.238 57.639 56.400 0.000 0.000 0.800 129 E CB -0.216 29.484 29.700 -0.000 0.000 0.746 129 E HN 0.601 nan 8.360 nan 0.000 0.452 130 E N 0.237 120.440 120.200 0.005 0.000 2.150 130 E HA -0.097 4.253 4.350 0.000 0.000 0.193 130 E C 1.839 178.446 176.600 0.012 0.000 0.985 130 E CA 0.257 56.662 56.400 0.009 0.000 0.814 130 E CB -0.084 29.622 29.700 0.010 0.000 0.752 130 E HN 0.043 nan 8.360 nan 0.000 0.466 131 L N 0.810 122.039 121.223 0.011 0.000 2.056 131 L HA -0.120 4.220 4.340 0.000 0.000 0.207 131 L C 1.943 178.821 176.870 0.012 0.000 1.078 131 L CA 1.717 56.565 54.840 0.013 0.000 0.749 131 L CB -0.849 41.217 42.059 0.011 0.000 0.901 131 L HN 0.132 nan 8.230 nan 0.000 0.433 132 K N -0.710 119.696 120.400 0.009 0.000 2.063 132 K HA -0.155 4.165 4.320 0.000 0.000 0.208 132 K C 2.023 178.630 176.600 0.010 0.000 1.048 132 K CA 1.510 57.802 56.287 0.009 0.000 0.928 132 K CB -0.153 32.351 32.500 0.006 0.000 0.713 132 K HN 0.306 nan 8.250 nan 0.000 0.442 133 A N 1.269 124.096 122.820 0.011 0.000 1.968 133 A HA -0.070 4.250 4.320 0.000 0.000 0.217 133 A C 1.952 179.545 177.584 0.016 0.000 1.169 133 A CA 0.738 52.783 52.037 0.012 0.000 0.638 133 A CB -0.323 18.684 19.000 0.011 0.000 0.812 133 A HN 0.214 nan 8.150 nan 0.000 0.446 134 L N -0.233 121.001 121.223 0.018 0.000 2.395 134 L HA 0.051 4.392 4.340 0.000 0.000 0.218 134 L C 1.051 177.935 176.870 0.023 0.000 1.130 134 L CA 0.780 55.634 54.840 0.023 0.000 0.826 134 L CB -0.605 41.470 42.059 0.026 0.000 0.941 134 L HN 0.366 nan 8.230 nan 0.000 0.451 135 S N -0.488 115.223 115.700 0.019 0.000 2.564 135 S HA 0.225 4.695 4.470 0.000 0.000 0.278 135 S C -0.215 174.395 174.600 0.017 0.000 1.333 135 S CA -0.422 57.788 58.200 0.017 0.000 1.048 135 S CB 1.006 64.215 63.200 0.015 0.000 0.900 135 S HN 0.051 nan 8.310 nan 0.000 0.505 136 V N 7.734 127.658 119.914 0.016 0.000 2.417 136 V HA 0.416 4.536 4.120 0.000 0.000 0.291 136 V C -2.112 173.989 176.094 0.012 0.000 1.024 136 V CA -1.829 60.480 62.300 0.014 0.000 0.861 136 V CB 1.391 33.223 31.823 0.015 0.000 0.985 136 V HN 0.756 nan 8.190 nan 0.000 0.436 137 P HA 0.249 nan 4.420 nan 0.000 0.274 137 P C -0.720 176.584 177.300 0.007 0.000 1.246 137 P CA -0.465 62.640 63.100 0.008 0.000 0.795 137 P CB 0.527 32.232 31.700 0.008 0.000 1.006 138 C N 1.775 121.079 119.300 0.006 0.000 2.621 138 C HA 0.260 4.720 4.460 0.000 0.000 0.272 138 C C 1.640 176.632 174.990 0.004 0.000 1.119 138 C CA 0.192 59.212 59.018 0.005 0.000 1.593 138 C CB -1.148 26.595 27.740 0.005 0.000 1.749 138 C HN 0.559 nan 8.230 nan 0.000 0.420 139 S N 1.635 117.337 115.700 0.004 0.000 2.303 139 S HA -0.017 4.453 4.470 0.000 0.000 0.207 139 S C 0.581 175.183 174.600 0.002 0.000 1.025 139 S CA 0.583 58.785 58.200 0.003 0.000 0.953 139 S CB -0.257 62.945 63.200 0.003 0.000 0.932 139 S HN 0.900 nan 8.310 nan 0.000 0.472 140 D N 1.454 121.855 120.400 0.002 0.000 2.371 140 D HA 0.207 4.847 4.640 0.000 0.000 0.242 140 D C 0.948 177.248 176.300 0.001 0.000 1.218 140 D CA 0.168 54.169 54.000 0.001 0.000 0.945 140 D CB 0.301 41.101 40.800 0.001 0.000 1.137 140 D HN 0.236 nan 8.370 nan 0.000 0.464 141 S N -0.949 114.751 115.700 0.000 0.000 2.522 141 S HA -0.153 4.317 4.470 0.000 0.000 0.227 141 S C 1.565 176.165 174.600 0.000 0.000 0.986 141 S CA 0.588 58.788 58.200 0.000 0.000 0.929 141 S CB -0.400 62.799 63.200 -0.000 0.000 0.769 141 S HN 0.592 nan 8.310 nan 0.000 0.529 142 K N 2.005 122.405 120.400 0.000 0.000 2.025 142 K HA 0.063 4.384 4.320 0.000 0.000 0.207 142 K C 2.268 178.868 176.600 0.000 0.000 1.049 142 K CA 1.173 57.460 56.287 0.000 0.000 0.933 142 K CB -0.669 31.831 32.500 0.000 0.000 0.714 142 K HN 0.367 nan 8.250 nan 0.000 0.438 143 A N 1.129 123.950 122.820 0.001 0.000 1.930 143 A HA -0.092 4.228 4.320 0.000 0.000 0.217 143 A C 2.103 179.687 177.584 0.002 0.000 1.175 143 A CA 1.396 53.434 52.037 0.001 0.000 0.627 143 A CB -0.579 18.422 19.000 0.002 0.000 0.815 143 A HN 0.373 nan 8.150 nan 0.000 0.443 144 I N -0.178 120.393 120.570 0.002 0.000 2.163 144 I HA -0.313 3.857 4.170 0.000 0.000 0.243 144 I C 2.980 179.098 176.117 0.002 0.000 1.085 144 I CA 1.147 62.448 61.300 0.002 0.000 1.347 144 I CB -0.303 37.698 38.000 0.001 0.000 1.044 144 I HN 0.361 nan 8.210 nan 0.000 0.408 145 A N -0.037 122.783 122.820 0.001 0.000 1.902 145 A HA -0.280 4.040 4.320 0.000 0.000 0.217 145 A C 2.250 179.834 177.584 0.000 0.000 1.181 145 A CA 1.702 53.740 52.037 0.001 0.000 0.623 145 A CB -0.670 18.329 19.000 -0.000 0.000 0.818 145 A HN 0.457 nan 8.150 nan 0.000 0.443 146 Q N -0.633 119.167 119.800 -0.001 0.000 2.096 146 Q HA -0.127 4.213 4.340 0.000 0.000 0.204 146 Q C 2.134 178.133 176.000 -0.002 0.000 0.982 146 Q CA 1.773 57.575 55.803 -0.002 0.000 0.850 146 Q CB -0.315 28.421 28.738 -0.003 0.000 0.901 146 Q HN 0.505 nan 8.270 nan 0.000 0.422 147 V N -0.059 119.855 119.914 0.001 0.000 2.358 147 V HA -0.193 3.927 4.120 0.000 0.000 0.246 147 V C 2.169 178.266 176.094 0.005 0.000 1.047 147 V CA 1.931 64.233 62.300 0.003 0.000 1.035 147 V CB -1.124 30.703 31.823 0.006 0.000 0.658 147 V HN 0.547 nan 8.190 nan 0.000 0.452 148 G N -0.329 108.474 108.800 0.006 0.000 2.418 148 G HA2 -0.246 3.714 3.960 0.000 0.000 0.217 148 G HA3 -0.246 3.714 3.960 0.000 0.000 0.217 148 G C 1.692 176.595 174.900 0.004 0.000 1.158 148 G CA 1.584 46.689 45.100 0.008 0.000 0.771 148 G HN 0.468 nan 8.290 nan 0.000 0.545 149 T N 1.389 115.944 114.554 0.001 0.000 2.684 149 T HA -0.092 4.258 4.350 0.000 0.000 0.267 149 T C 2.385 177.083 174.700 -0.004 0.000 1.036 149 T CA 1.161 63.259 62.100 -0.002 0.000 1.148 149 T CB -0.193 68.673 68.868 -0.004 0.000 0.863 149 T HN 0.240 nan 8.240 nan 0.000 0.436 150 I N 1.297 121.864 120.570 -0.005 0.000 2.286 150 I HA -0.137 4.033 4.170 0.000 0.000 0.248 150 I C 2.159 178.272 176.117 -0.006 0.000 1.115 150 I CA 1.004 62.299 61.300 -0.008 0.000 1.392 150 I CB -0.240 37.755 38.000 -0.009 0.000 1.065 150 I HN 0.147 nan 8.210 nan 0.000 0.418 151 S N 0.470 116.170 115.700 -0.000 0.000 2.660 151 S HA 0.213 4.683 4.470 0.000 0.000 0.223 151 S C 1.077 175.678 174.600 0.000 0.000 0.963 151 S CA 0.612 58.814 58.200 0.002 0.000 0.932 151 S CB 0.037 63.244 63.200 0.011 0.000 0.775 151 S HN 0.478 nan 8.310 nan 0.000 0.531 152 A N 1.633 124.451 122.820 -0.002 0.000 2.610 152 A HA 0.427 4.747 4.320 0.000 0.000 0.290 152 A C 0.110 177.690 177.584 -0.007 0.000 1.001 152 A CA -0.740 51.294 52.037 -0.004 0.000 1.004 152 A CB -0.091 18.909 19.000 -0.001 0.000 1.220 152 A HN 0.217 nan 8.150 nan 0.000 0.507 153 N N 0.275 118.970 118.700 -0.009 0.000 2.738 153 N HA -0.178 4.562 4.740 0.000 0.000 0.249 153 N C 0.370 175.873 175.510 -0.012 0.000 1.047 153 N CA 1.261 54.304 53.050 -0.012 0.000 0.707 153 N CB -2.124 36.356 38.487 -0.012 0.000 0.937 153 N HN 0.761 nan 8.380 nan 0.000 0.545 154 S N -2.443 113.250 115.700 -0.012 0.000 3.476 154 S HA -0.229 4.241 4.470 0.000 0.000 0.309 154 S C -0.087 174.508 174.600 -0.009 0.000 1.222 154 S CA 1.052 59.244 58.200 -0.012 0.000 0.922 154 S CB -0.756 62.435 63.200 -0.015 0.000 1.023 154 S HN 0.710 nan 8.310 nan 0.000 0.591 155 D N 1.383 121.778 120.400 -0.007 0.000 2.374 155 D HA 0.268 4.908 4.640 0.000 0.000 0.240 155 D C 1.021 177.318 176.300 -0.004 0.000 1.229 155 D CA -0.125 53.872 54.000 -0.006 0.000 0.895 155 D CB 0.494 41.291 40.800 -0.005 0.000 1.046 155 D HN 0.466 nan 8.370 nan 0.000 0.498 156 E N 1.193 121.390 120.200 -0.005 0.000 2.268 156 E HA -0.105 4.245 4.350 0.000 0.000 0.195 156 E C 1.437 178.035 176.600 -0.002 0.000 0.995 156 E CA 0.883 57.281 56.400 -0.004 0.000 0.836 156 E CB 0.326 30.023 29.700 -0.005 0.000 0.763 156 E HN 0.512 nan 8.360 nan 0.000 0.491 157 T N 0.430 114.982 114.554 -0.002 0.000 2.746 157 T HA -0.133 4.217 4.350 0.000 0.000 0.267 157 T C 2.089 176.789 174.700 0.000 0.000 1.039 157 T CA 1.050 63.150 62.100 -0.001 0.000 1.142 157 T CB -0.187 68.680 68.868 -0.001 0.000 0.866 157 T HN 0.005 nan 8.240 nan 0.000 0.444 158 V N 1.562 121.476 119.914 0.000 0.000 2.307 158 V HA -0.046 4.074 4.120 0.000 0.000 0.245 158 V C 2.935 179.031 176.094 0.003 0.000 1.045 158 V CA 1.875 64.177 62.300 0.003 0.000 1.024 158 V CB -1.460 30.365 31.823 0.003 0.000 0.651 158 V HN 0.586 nan 8.190 nan 0.000 0.449 159 G N -0.348 108.453 108.800 0.002 0.000 2.446 159 G HA2 -0.322 3.638 3.960 0.000 0.000 0.217 159 G HA3 -0.322 3.638 3.960 0.000 0.000 0.217 159 G C 1.648 176.549 174.900 0.002 0.000 1.168 159 G CA 1.163 46.264 45.100 0.002 0.000 0.771 159 G HN 0.478 nan 8.290 nan 0.000 0.551 160 K N -0.171 120.230 120.400 0.000 0.000 2.032 160 K HA 0.012 4.332 4.320 0.000 0.000 0.209 160 K C 2.557 179.158 176.600 0.001 0.000 1.048 160 K CA 0.972 57.259 56.287 0.000 0.000 0.927 160 K CB -0.287 32.213 32.500 -0.001 0.000 0.712 160 K HN 0.329 nan 8.250 nan 0.000 0.441 161 L N 0.749 121.973 121.223 0.001 0.000 1.989 161 L HA -0.228 4.112 4.340 0.000 0.000 0.211 161 L C 2.388 179.260 176.870 0.002 0.000 1.071 161 L CA 1.373 56.214 54.840 0.002 0.000 0.749 161 L CB -0.304 41.756 42.059 0.003 0.000 0.890 161 L HN 0.254 nan 8.230 nan 0.000 0.431 162 I N -0.629 119.943 120.570 0.004 0.000 2.226 162 I HA -0.294 3.876 4.170 0.000 0.000 0.245 162 I C 2.740 178.857 176.117 0.001 0.000 1.100 162 I CA 1.160 62.463 61.300 0.004 0.000 1.374 162 I CB -0.482 37.523 38.000 0.007 0.000 1.057 162 I HN 0.221 nan 8.210 nan 0.000 0.413 163 A N 0.440 123.260 122.820 0.001 0.000 1.902 163 A HA -0.240 4.080 4.320 0.000 0.000 0.217 163 A C 2.214 179.797 177.584 -0.001 0.000 1.181 163 A CA 1.833 53.870 52.037 0.000 0.000 0.623 163 A CB -0.593 18.407 19.000 0.000 0.000 0.818 163 A HN 0.451 nan 8.150 nan 0.000 0.443 164 E N -0.420 119.780 120.200 -0.001 0.000 2.106 164 E HA -0.039 4.311 4.350 0.000 0.000 0.192 164 E C 2.294 178.893 176.600 -0.002 0.000 0.984 164 E CA 0.811 57.211 56.400 -0.001 0.000 0.806 164 E CB -0.244 29.455 29.700 -0.001 0.000 0.750 164 E HN 0.629 nan 8.360 nan 0.000 0.458 165 A N 1.096 123.915 122.820 -0.002 0.000 1.873 165 A HA -0.161 4.159 4.320 0.000 0.000 0.215 165 A C 2.153 179.735 177.584 -0.004 0.000 1.186 165 A CA 1.214 53.249 52.037 -0.003 0.000 0.616 165 A CB -0.389 18.610 19.000 -0.002 0.000 0.823 165 A HN 0.129 nan 8.150 nan 0.000 0.442 166 M N -0.946 118.652 119.600 -0.004 0.000 2.279 166 M HA -0.151 4.329 4.480 0.000 0.000 0.264 166 M C 1.622 177.919 176.300 -0.005 0.000 1.062 166 M CA 1.737 57.034 55.300 -0.005 0.000 1.099 166 M CB -0.546 32.051 32.600 -0.005 0.000 1.394 166 M HN 0.431 nan 8.290 nan 0.000 0.426 167 D N 0.540 120.937 120.400 -0.003 0.000 2.219 167 D HA -0.095 4.545 4.640 0.000 0.000 0.205 167 D C 1.910 178.208 176.300 -0.003 0.000 0.970 167 D CA 1.061 55.059 54.000 -0.003 0.000 0.851 167 D CB 0.247 41.046 40.800 -0.002 0.000 0.943 167 D HN 0.196 nan 8.370 nan 0.000 0.488 168 K N -0.642 119.756 120.400 -0.004 0.000 2.137 168 K HA -0.006 4.314 4.320 0.000 0.000 0.202 168 K C 1.604 178.202 176.600 -0.005 0.000 1.052 168 K CA 1.081 57.365 56.287 -0.004 0.000 0.961 168 K CB 0.562 33.060 32.500 -0.004 0.000 0.741 168 K HN 0.180 nan 8.250 nan 0.000 0.452 169 V N -3.514 116.396 119.914 -0.006 0.000 3.477 169 V HA 0.392 4.513 4.120 0.000 0.000 0.297 169 V C 0.505 176.595 176.094 -0.007 0.000 1.433 169 V CA 0.049 62.345 62.300 -0.006 0.000 1.052 169 V CB -0.035 31.784 31.823 -0.008 0.000 0.895 169 V HN 0.340 nan 8.190 nan 0.000 0.438 170 G N 1.586 110.382 108.800 -0.006 0.000 2.728 170 G HA2 -0.168 3.792 3.960 0.000 0.000 0.294 170 G HA3 -0.168 3.792 3.960 0.000 0.000 0.294 170 G C 0.237 175.133 174.900 -0.008 0.000 1.342 170 G CA 0.050 45.146 45.100 -0.006 0.000 0.866 170 G HN 0.213 nan 8.290 nan 0.000 0.534 171 K N 0.290 120.685 120.400 -0.007 0.000 2.057 171 K HA -0.026 4.294 4.320 0.000 0.000 0.206 171 K C 2.216 178.810 176.600 -0.011 0.000 1.050 171 K CA 1.928 58.210 56.287 -0.008 0.000 0.935 171 K CB -0.226 32.270 32.500 -0.006 0.000 0.715 171 K HN 0.652 nan 8.250 nan 0.000 0.439 172 E N 0.901 121.095 120.200 -0.010 0.000 2.208 172 E HA -0.033 4.317 4.350 0.000 0.000 0.193 172 E C 1.207 177.799 176.600 -0.014 0.000 0.988 172 E CA 0.249 56.642 56.400 -0.011 0.000 0.828 172 E CB -0.386 29.309 29.700 -0.007 0.000 0.763 172 E HN 0.249 nan 8.360 nan 0.000 0.478 173 G N 1.548 110.341 108.800 -0.013 0.000 2.647 173 G HA2 0.145 4.105 3.960 0.000 0.000 0.234 173 G HA3 0.145 4.105 3.960 0.000 0.000 0.234 173 G C 0.108 174.996 174.900 -0.019 0.000 1.252 173 G CA -0.410 44.683 45.100 -0.013 0.000 0.846 173 G HN -0.028 nan 8.290 nan 0.000 0.589 174 V N 1.973 121.876 119.914 -0.018 0.000 2.432 174 V HA 0.376 4.496 4.120 0.000 0.000 0.275 174 V C 0.359 176.440 176.094 -0.022 0.000 1.043 174 V CA -0.110 62.175 62.300 -0.025 0.000 0.925 174 V CB 0.856 32.666 31.823 -0.022 0.000 0.985 174 V HN 0.490 nan 8.190 nan 0.000 0.466 175 I N 3.753 124.307 120.570 -0.027 0.000 2.465 175 I HA 0.519 4.689 4.170 0.000 0.000 0.291 175 I C 0.010 176.118 176.117 -0.015 0.000 1.014 175 I CA -0.162 61.127 61.300 -0.018 0.000 1.093 175 I CB 2.330 40.321 38.000 -0.016 0.000 1.267 175 I HN 0.493 nan 8.210 nan 0.000 0.431 176 T N 4.897 119.447 114.554 -0.006 0.000 2.887 176 T HA 0.602 4.952 4.350 0.000 0.000 0.288 176 T C -0.570 174.135 174.700 0.007 0.000 1.021 176 T CA -0.503 61.597 62.100 -0.000 0.000 1.000 176 T CB 2.208 71.073 68.868 -0.005 0.000 1.034 176 T HN 0.203 nan 8.240 nan 0.000 0.467 177 V N 2.966 122.889 119.914 0.015 0.000 2.495 177 V HA 0.558 4.678 4.120 0.000 0.000 0.298 177 V C -0.066 176.035 176.094 0.012 0.000 1.031 177 V CA -0.749 61.561 62.300 0.016 0.000 0.871 177 V CB 1.686 33.524 31.823 0.025 0.000 0.988 177 V HN 0.844 nan 8.190 nan 0.000 0.432 178 E N 1.417 121.622 120.200 0.008 0.000 2.359 178 E HA 0.404 4.754 4.350 0.000 0.000 0.266 178 E C -1.446 175.158 176.600 0.005 0.000 0.920 178 E CA -1.054 55.350 56.400 0.006 0.000 0.788 178 E CB 1.935 31.637 29.700 0.003 0.000 1.279 178 E HN 0.650 nan 8.360 nan 0.000 0.438 179 D N 0.658 121.061 120.400 0.005 0.000 2.443 179 D HA 0.176 4.816 4.640 0.000 0.000 0.239 179 D C 0.117 176.418 176.300 0.003 0.000 1.136 179 D CA 0.467 54.469 54.000 0.004 0.000 0.879 179 D CB 0.764 41.567 40.800 0.004 0.000 1.195 179 D HN 0.462 nan 8.370 nan 0.000 0.443 180 G N -0.337 108.464 108.800 0.002 0.000 2.562 180 G HA2 0.363 4.323 3.960 0.000 0.000 0.275 180 G HA3 0.363 4.323 3.960 0.000 0.000 0.275 180 G C 0.858 175.759 174.900 0.001 0.000 1.196 180 G CA -0.209 44.892 45.100 0.002 0.000 0.908 180 G HN 0.483 nan 8.290 nan 0.000 0.524 181 T N -3.246 111.308 114.554 0.001 0.000 3.001 181 T HA 0.512 4.862 4.350 0.000 0.000 0.251 181 T C 1.004 175.705 174.700 0.001 0.000 1.040 181 T CA 0.787 62.887 62.100 0.001 0.000 0.985 181 T CB 0.470 69.338 68.868 0.000 0.000 1.011 181 T HN 1.168 nan 8.240 nan 0.000 0.509 182 G N 0.889 109.689 108.800 0.001 0.000 2.694 182 G HA2 0.449 4.409 3.960 0.000 0.000 0.246 182 G HA3 0.449 4.409 3.960 0.000 0.000 0.246 182 G C -0.145 174.755 174.900 0.000 0.000 1.205 182 G CA -0.108 44.992 45.100 0.000 0.000 0.891 182 G HN 0.140 nan 8.290 nan 0.000 0.515 183 L N 0.436 121.659 121.223 -0.000 0.000 2.095 183 L HA 0.315 4.655 4.340 0.000 0.000 0.204 183 L C 1.446 178.316 176.870 -0.000 0.000 1.080 183 L CA 1.770 56.610 54.840 -0.000 0.000 0.759 183 L CB -0.569 41.489 42.059 -0.000 0.000 0.914 183 L HN 0.665 nan 8.230 nan 0.000 0.439 184 Q N -0.085 119.714 119.800 -0.000 0.000 2.226 184 Q HA 0.270 4.610 4.340 0.000 0.000 0.256 184 Q C -0.994 175.005 176.000 -0.000 0.000 0.962 184 Q CA -0.932 54.871 55.803 -0.000 0.000 0.887 184 Q CB 1.017 29.755 28.738 -0.001 0.000 1.282 184 Q HN 0.160 nan 8.270 nan 0.000 0.449 185 D N 1.429 121.829 120.400 -0.000 0.000 2.361 185 D HA 0.131 4.771 4.640 0.000 0.000 0.239 185 D C -0.459 175.841 176.300 -0.000 0.000 1.200 185 D CA 0.336 54.336 54.000 0.000 0.000 0.915 185 D CB 0.822 41.622 40.800 0.000 0.000 1.170 185 D HN 0.476 nan 8.370 nan 0.000 0.444 186 E N -0.344 119.855 120.200 -0.000 0.000 2.340 186 E HA 0.524 4.874 4.350 0.000 0.000 0.273 186 E C -1.214 175.386 176.600 -0.001 0.000 0.891 186 E CA -0.878 55.521 56.400 -0.001 0.000 0.757 186 E CB 2.521 32.220 29.700 -0.001 0.000 1.231 186 E HN 0.070 nan 8.360 nan 0.000 0.439 187 L N 2.427 123.649 121.223 -0.001 0.000 2.439 187 L HA 0.504 4.844 4.340 0.000 0.000 0.270 187 L C -1.839 175.030 176.870 -0.003 0.000 0.972 187 L CA -0.156 54.683 54.840 -0.002 0.000 0.836 187 L CB 1.516 43.574 42.059 -0.002 0.000 1.255 187 L HN 0.421 nan 8.230 nan 0.000 0.404 188 D N 3.643 124.041 120.400 -0.003 0.000 2.819 188 D HA 0.480 5.120 4.640 0.000 0.000 0.232 188 D C -1.178 175.119 176.300 -0.005 0.000 1.160 188 D CA -0.190 53.808 54.000 -0.004 0.000 0.858 188 D CB 3.086 43.883 40.800 -0.005 0.000 1.610 188 D HN 0.253 nan 8.370 nan 0.000 0.481 189 V N 1.869 121.780 119.914 -0.005 0.000 2.370 189 V HA 0.432 4.552 4.120 0.000 0.000 0.279 189 V C 0.473 176.564 176.094 -0.006 0.000 1.029 189 V CA -0.636 61.661 62.300 -0.005 0.000 0.870 189 V CB 1.226 33.047 31.823 -0.005 0.000 0.984 189 V HN 0.411 nan 8.190 nan 0.000 0.451 190 V N 1.557 121.467 119.914 -0.006 0.000 3.046 190 V HA 0.678 4.798 4.120 0.000 0.000 0.316 190 V C -0.130 175.961 176.094 -0.006 0.000 1.104 190 V CA -1.075 61.221 62.300 -0.007 0.000 1.006 190 V CB 2.065 33.883 31.823 -0.009 0.000 1.058 190 V HN 0.691 nan 8.190 nan 0.000 0.440 191 E N 1.753 121.949 120.200 -0.006 0.000 2.406 191 E HA 0.501 4.851 4.350 0.000 0.000 0.258 191 E C 0.275 176.874 176.600 -0.000 0.000 1.043 191 E CA 0.899 57.297 56.400 -0.004 0.000 0.929 191 E CB 0.635 30.331 29.700 -0.006 0.000 0.969 191 E HN 1.170 nan 8.360 nan 0.000 0.462 192 G N 1.575 110.378 108.800 0.005 0.000 2.600 192 G HA2 0.618 4.578 3.960 0.000 0.000 0.293 192 G HA3 0.618 4.578 3.960 0.000 0.000 0.293 192 G C -1.282 173.633 174.900 0.025 0.000 1.408 192 G CA -0.712 44.395 45.100 0.012 0.000 0.782 192 G HN 0.399 nan 8.290 nan 0.000 0.482 193 M N -0.057 119.566 119.600 0.037 0.000 2.490 193 M HA 0.557 5.037 4.480 0.000 0.000 0.286 193 M C -2.247 174.087 176.300 0.057 0.000 1.185 193 M CA -0.621 54.720 55.300 0.069 0.000 0.912 193 M CB 2.471 35.142 32.600 0.118 0.000 1.744 193 M HN 0.652 nan 8.290 nan 0.000 0.494 194 Q N 3.795 123.629 119.800 0.057 0.000 2.323 194 Q HA 0.656 4.996 4.340 0.000 0.000 0.271 194 Q C -2.144 173.897 176.000 0.068 0.000 1.048 194 Q CA -0.618 55.166 55.803 -0.030 0.000 0.792 194 Q CB 1.979 30.680 28.738 -0.061 0.000 1.280 194 Q HN 0.620 nan 8.270 nan 0.000 0.441 195 F N -0.267 119.679 119.950 -0.008 0.000 2.611 195 F HA 0.542 5.069 4.527 0.000 0.000 0.324 195 F C -0.636 175.161 175.800 -0.006 0.000 1.061 195 F CA -1.244 56.753 58.000 -0.004 0.000 0.954 195 F CB 1.132 40.133 39.000 0.000 0.000 1.301 195 F HN 0.348 nan 8.300 nan 0.000 0.482 196 D N 1.759 122.286 120.400 0.212 0.000 2.713 196 D HA 0.273 4.913 4.640 0.000 0.000 0.229 196 D C -0.678 175.703 176.300 0.135 0.000 1.136 196 D CA 0.023 54.080 54.000 0.095 0.000 1.010 196 D CB 0.033 40.879 40.800 0.077 0.000 1.084 196 D HN 0.218 nan 8.370 nan 0.000 0.495 197 R N 0.779 121.346 120.500 0.112 0.000 2.538 197 R HA 0.527 4.867 4.340 0.000 0.000 0.292 197 R C 0.323 176.602 176.300 -0.035 0.000 1.008 197 R CA -0.714 55.459 56.100 0.122 0.000 0.896 197 R CB 1.781 32.297 30.300 0.359 0.000 1.187 197 R HN 0.293 nan 8.270 nan 0.000 0.440 198 G N 1.284 110.031 108.800 -0.088 0.000 2.543 198 G HA2 0.357 4.317 3.960 0.000 0.000 0.267 198 G HA3 0.357 4.317 3.960 0.000 0.000 0.267 198 G C -0.576 174.260 174.900 -0.106 0.000 1.406 198 G CA -0.386 44.575 45.100 -0.232 0.000 1.048 198 G HN 0.455 nan 8.290 nan 0.000 0.548 199 Y N -1.382 118.975 120.300 0.096 0.000 2.314 199 Y HA 0.491 5.041 4.550 0.000 0.000 0.334 199 Y C 1.195 177.209 175.900 0.189 0.000 1.266 199 Y CA -1.171 57.039 58.100 0.184 0.000 1.391 199 Y CB 0.627 39.252 38.460 0.274 0.000 1.306 199 Y HN 0.154 nan 8.280 nan 0.000 0.558 200 L N 0.888 122.412 121.223 0.501 0.000 2.446 200 L HA 0.134 4.474 4.340 0.000 0.000 0.219 200 L C 0.681 177.728 176.870 0.296 0.000 1.116 200 L CA 0.696 55.746 54.840 0.350 0.000 0.844 200 L CB 0.159 42.401 42.059 0.305 0.000 0.970 200 L HN 0.720 nan 8.230 nan 0.000 0.457 201 S N -1.000 114.865 115.700 0.274 0.000 2.672 201 S HA 0.385 4.855 4.470 0.000 0.000 0.291 201 S C -2.190 172.218 174.600 -0.321 0.000 1.145 201 S CA -1.215 56.916 58.200 -0.116 0.000 1.013 201 S CB 1.558 64.432 63.200 -0.545 0.000 1.017 201 S HN -0.209 nan 8.310 nan 0.000 0.487 202 P HA 0.011 nan 4.420 nan 0.000 0.236 202 P C -0.211 176.662 177.300 -0.713 0.000 1.172 202 P CA 0.782 63.469 63.100 -0.688 0.000 0.759 202 P CB -0.173 31.276 31.700 -0.419 0.000 0.843 203 Y N -3.288 116.719 120.300 -0.489 0.000 2.468 203 Y HA 0.201 4.751 4.550 0.000 0.000 0.268 203 Y C 1.326 177.000 175.900 -0.377 0.000 1.177 203 Y CA 0.036 57.898 58.100 -0.397 0.000 1.265 203 Y CB -0.485 37.762 38.460 -0.356 0.000 1.103 203 Y HN -0.092 nan 8.280 nan 0.000 0.522 204 F N -0.429 119.458 119.950 -0.105 0.000 2.664 204 F HA 0.146 4.673 4.527 0.000 0.000 0.296 204 F C 0.983 176.719 175.800 -0.106 0.000 1.125 204 F CA -0.677 57.278 58.000 -0.075 0.000 1.444 204 F CB -0.421 38.549 39.000 -0.050 0.000 1.114 204 F HN -0.172 nan 8.300 nan 0.000 0.576 205 I N 2.133 122.662 120.570 -0.069 0.000 2.775 205 I HA -0.149 4.021 4.170 0.000 0.000 0.290 205 I C 0.748 176.858 176.117 -0.012 0.000 1.203 205 I CA 0.460 61.714 61.300 -0.077 0.000 1.433 205 I CB 0.382 38.270 38.000 -0.185 0.000 1.354 205 I HN 0.196 nan 8.210 nan 0.000 0.579 206 N N 3.877 122.584 118.700 0.012 0.000 2.474 206 N HA 0.036 4.777 4.740 0.000 0.000 0.224 206 N C 0.048 175.565 175.510 0.012 0.000 1.092 206 N CA -0.135 52.925 53.050 0.017 0.000 0.844 206 N CB 0.061 38.567 38.487 0.031 0.000 1.381 206 N HN 0.248 nan 8.380 nan 0.000 0.458 207 K N 2.663 123.072 120.400 0.015 0.000 2.382 207 K HA 0.121 4.441 4.320 0.000 0.000 0.286 207 K C -1.537 175.064 176.600 0.003 0.000 1.062 207 K CA -1.142 55.152 56.287 0.012 0.000 1.000 207 K CB 1.131 33.642 32.500 0.019 0.000 0.954 207 K HN 0.180 nan 8.250 nan 0.000 0.470 208 P HA -0.137 nan 4.420 nan 0.000 0.215 208 P C 0.955 178.250 177.300 -0.010 0.000 1.157 208 P CA 1.067 64.164 63.100 -0.005 0.000 0.859 208 P CB 0.523 32.225 31.700 0.004 0.000 0.786 209 E N 0.049 120.244 120.200 -0.009 0.000 2.051 209 E HA -0.078 4.272 4.350 0.000 0.000 0.189 209 E C 1.953 178.541 176.600 -0.021 0.000 0.979 209 E CA 1.708 58.097 56.400 -0.018 0.000 0.803 209 E CB -1.305 28.382 29.700 -0.021 0.000 0.761 209 E HN 0.071 nan 8.360 nan 0.000 0.451 210 T N -0.506 114.040 114.554 -0.014 0.000 2.833 210 T HA -0.008 4.342 4.350 0.000 0.000 0.269 210 T C 1.363 176.072 174.700 0.015 0.000 1.054 210 T CA 1.191 63.286 62.100 -0.009 0.000 1.135 210 T CB -0.725 68.148 68.868 0.009 0.000 0.869 210 T HN 0.445 nan 8.240 nan 0.000 0.466 211 G N 1.461 110.273 108.800 0.020 0.000 2.256 211 G HA2 0.078 4.038 3.960 0.000 0.000 0.272 211 G HA3 0.078 4.038 3.960 0.000 0.000 0.272 211 G C -0.038 174.929 174.900 0.112 0.000 1.076 211 G CA -0.043 45.082 45.100 0.042 0.000 0.882 211 G HN 1.004 nan 8.290 nan 0.000 0.497 212 A N -1.021 121.853 122.820 0.090 0.000 2.435 212 A HA 0.886 5.206 4.320 0.000 0.000 0.304 212 A C -0.062 177.580 177.584 0.097 0.000 1.064 212 A CA -0.282 51.838 52.037 0.138 0.000 0.727 212 A CB 2.011 21.072 19.000 0.101 0.000 1.284 212 A HN 1.321 nan 8.150 nan 0.000 0.415 213 V N 1.100 121.096 119.914 0.137 0.000 2.498 213 V HA 0.455 4.575 4.120 0.000 0.000 0.279 213 V C 0.189 176.323 176.094 0.067 0.000 1.048 213 V CA -0.083 62.276 62.300 0.098 0.000 0.967 213 V CB 0.964 32.868 31.823 0.135 0.000 0.988 213 V HN 0.920 nan 8.190 nan 0.000 0.473 214 E N 4.212 124.440 120.200 0.046 0.000 2.283 214 E HA 0.648 4.999 4.350 0.000 0.000 0.258 214 E C -1.642 174.973 176.600 0.024 0.000 0.893 214 E CA -0.448 55.970 56.400 0.031 0.000 0.798 214 E CB 1.469 31.186 29.700 0.027 0.000 1.242 214 E HN 0.642 nan 8.360 nan 0.000 0.414 215 L N 3.554 124.787 121.223 0.017 0.000 2.381 215 L HA 0.521 4.861 4.340 0.000 0.000 0.268 215 L C -0.497 176.380 176.870 0.012 0.000 0.997 215 L CA -0.897 53.953 54.840 0.017 0.000 0.818 215 L CB 2.074 44.142 42.059 0.014 0.000 1.310 215 L HN 0.542 nan 8.230 nan 0.000 0.416 216 E N 0.153 120.362 120.200 0.015 0.000 2.227 216 E HA 0.520 4.870 4.350 0.000 0.000 0.268 216 E C -0.485 176.121 176.600 0.009 0.000 0.907 216 E CA -0.926 55.479 56.400 0.007 0.000 0.786 216 E CB 1.807 31.511 29.700 0.007 0.000 1.191 216 E HN 0.441 nan 8.360 nan 0.000 0.411 217 S N 1.137 116.830 115.700 -0.012 0.000 3.631 217 S HA -0.107 4.364 4.470 0.000 0.000 0.366 217 S C -2.324 172.262 174.600 -0.024 0.000 0.993 217 S CA 0.740 58.918 58.200 -0.036 0.000 1.167 217 S CB -1.621 61.570 63.200 -0.015 0.000 0.909 217 S HN 0.624 nan 8.310 nan 0.000 0.478 218 P HA 0.564 nan 4.420 nan 0.000 0.292 218 P C -0.111 177.191 177.300 0.004 0.000 1.283 218 P CA -0.706 62.427 63.100 0.055 0.000 0.835 218 P CB 0.449 32.176 31.700 0.044 0.000 1.017 219 F N 1.900 121.848 119.950 -0.004 0.000 2.429 219 F HA 0.308 4.835 4.527 0.000 0.000 0.348 219 F C 0.999 176.798 175.800 -0.002 0.000 1.109 219 F CA -0.034 57.965 58.000 -0.002 0.000 1.232 219 F CB 0.403 39.402 39.000 -0.003 0.000 1.157 219 F HN 0.054 nan 8.300 nan 0.000 0.564 220 I N 4.722 125.378 120.570 0.143 0.000 2.382 220 I HA 0.237 4.407 4.170 0.000 0.000 0.286 220 I C -1.004 175.163 176.117 0.084 0.000 1.002 220 I CA -0.825 60.529 61.300 0.089 0.000 1.135 220 I CB 1.645 39.676 38.000 0.051 0.000 1.288 220 I HN 0.334 nan 8.210 nan 0.000 0.448 221 L N 8.294 129.558 121.223 0.068 0.000 2.275 221 L HA 0.513 4.853 4.340 0.000 0.000 0.288 221 L C -1.171 175.718 176.870 0.033 0.000 1.046 221 L CA -0.125 54.744 54.840 0.049 0.000 0.805 221 L CB 0.764 42.846 42.059 0.039 0.000 1.193 221 L HN 0.355 nan 8.230 nan 0.000 0.426 222 L N 6.210 127.447 121.223 0.024 0.000 2.316 222 L HA 0.780 5.120 4.340 0.000 0.000 0.280 222 L C -0.194 176.679 176.870 0.005 0.000 1.006 222 L CA -0.529 54.316 54.840 0.008 0.000 0.836 222 L CB 0.546 42.605 42.059 -0.001 0.000 1.221 222 L HN 0.815 nan 8.230 nan 0.000 0.418 223 A N 2.130 124.951 122.820 0.003 0.000 2.398 223 A HA 0.551 4.871 4.320 0.000 0.000 0.301 223 A C -0.695 176.889 177.584 -0.000 0.000 1.041 223 A CA -0.536 51.503 52.037 0.003 0.000 0.711 223 A CB 1.332 20.338 19.000 0.010 0.000 1.240 223 A HN 0.599 nan 8.150 nan 0.000 0.420 224 D N 1.795 122.194 120.400 -0.003 0.000 2.564 224 D HA 0.487 5.127 4.640 0.000 0.000 0.226 224 D C -0.348 175.955 176.300 0.005 0.000 1.149 224 D CA 0.212 54.210 54.000 -0.003 0.000 0.994 224 D CB -0.351 40.443 40.800 -0.009 0.000 1.029 224 D HN 0.578 nan 8.370 nan 0.000 0.517 225 K N -0.288 120.118 120.400 0.011 0.000 2.675 225 K HA 0.299 4.619 4.320 0.000 0.000 0.280 225 K C -1.314 175.299 176.600 0.022 0.000 0.993 225 K CA -0.960 55.336 56.287 0.016 0.000 0.863 225 K CB 0.452 32.960 32.500 0.013 0.000 1.438 225 K HN -0.154 nan 8.250 nan 0.000 0.389 226 K N 1.877 122.292 120.400 0.025 0.000 2.379 226 K HA 0.292 4.612 4.320 0.000 0.000 0.284 226 K C -0.430 176.187 176.600 0.029 0.000 1.044 226 K CA -0.176 56.129 56.287 0.030 0.000 0.974 226 K CB 0.288 32.806 32.500 0.031 0.000 0.962 226 K HN 0.452 nan 8.250 nan 0.000 0.474 227 I N 2.529 123.119 120.570 0.033 0.000 2.297 227 I HA 0.042 4.212 4.170 0.000 0.000 0.291 227 I C 0.553 176.690 176.117 0.035 0.000 1.033 227 I CA 0.073 61.392 61.300 0.032 0.000 1.253 227 I CB 1.473 39.493 38.000 0.034 0.000 1.396 227 I HN 0.636 nan 8.210 nan 0.000 0.476 228 S N 3.412 119.129 115.700 0.028 0.000 2.589 228 S HA 0.204 4.674 4.470 0.000 0.000 0.235 228 S C 0.500 175.113 174.600 0.023 0.000 1.051 228 S CA -0.291 57.925 58.200 0.027 0.000 0.978 228 S CB 0.254 63.468 63.200 0.023 0.000 0.929 228 S HN 0.597 nan 8.310 nan 0.000 0.523 229 N N 1.473 120.185 118.700 0.020 0.000 2.419 229 N HA 0.338 5.078 4.740 0.000 0.000 0.277 229 N C 0.061 175.580 175.510 0.016 0.000 1.006 229 N CA -0.176 52.883 53.050 0.016 0.000 0.923 229 N CB 1.933 40.427 38.487 0.012 0.000 1.140 229 N HN 0.021 nan 8.380 nan 0.000 0.488 230 I N 2.917 123.495 120.570 0.015 0.000 2.761 230 I HA -0.109 4.061 4.170 0.000 0.000 0.261 230 I C 2.161 178.283 176.117 0.009 0.000 1.198 230 I CA 0.693 62.002 61.300 0.014 0.000 1.482 230 I CB -0.002 38.007 38.000 0.014 0.000 1.100 230 I HN 0.427 nan 8.210 nan 0.000 0.445 231 R N 0.457 120.961 120.500 0.007 0.000 2.362 231 R HA -0.032 4.308 4.340 0.000 0.000 0.204 231 R C 0.571 176.872 176.300 0.003 0.000 1.088 231 R CA 0.684 56.787 56.100 0.004 0.000 1.121 231 R CB -0.920 29.381 30.300 0.003 0.000 0.954 231 R HN 0.482 nan 8.270 nan 0.000 0.478 232 E N -0.400 119.803 120.200 0.005 0.000 2.541 232 E HA 0.173 4.524 4.350 0.000 0.000 0.219 232 E C 1.278 177.880 176.600 0.002 0.000 0.922 232 E CA -0.232 56.170 56.400 0.004 0.000 1.095 232 E CB 0.352 30.056 29.700 0.007 0.000 1.112 232 E HN 0.094 nan 8.360 nan 0.000 0.516 233 M N 0.351 119.953 119.600 0.003 0.000 2.394 233 M HA 0.073 4.553 4.480 0.000 0.000 0.266 233 M C 2.128 178.424 176.300 -0.008 0.000 1.098 233 M CA 0.946 56.246 55.300 0.001 0.000 1.149 233 M CB -0.598 32.007 32.600 0.007 0.000 1.369 233 M HN 0.117 nan 8.290 nan 0.000 0.450 234 L N 0.237 121.456 121.223 -0.007 0.000 2.043 234 L HA -0.209 4.131 4.340 0.000 0.000 0.212 234 L C -0.329 176.530 176.870 -0.019 0.000 1.075 234 L CA 1.570 56.403 54.840 -0.012 0.000 0.752 234 L CB -2.574 39.480 42.059 -0.009 0.000 0.891 234 L HN 0.183 nan 8.230 nan 0.000 0.432 235 P HA -0.120 nan 4.420 nan 0.000 0.215 235 P C 1.972 179.253 177.300 -0.033 0.000 1.153 235 P CA 1.125 64.212 63.100 -0.022 0.000 0.853 235 P CB 0.059 31.750 31.700 -0.015 0.000 0.788 236 V N -0.684 119.212 119.914 -0.031 0.000 2.379 236 V HA -0.172 3.948 4.120 0.000 0.000 0.245 236 V C 2.474 178.528 176.094 -0.068 0.000 1.044 236 V CA 1.403 63.676 62.300 -0.045 0.000 1.036 236 V CB -1.198 30.608 31.823 -0.027 0.000 0.664 236 V HN 0.040 nan 8.190 nan 0.000 0.453 237 L N -0.263 120.930 121.223 -0.050 0.000 2.042 237 L HA -0.156 4.184 4.340 0.000 0.000 0.210 237 L C 2.665 179.494 176.870 -0.067 0.000 1.076 237 L CA 1.408 56.216 54.840 -0.053 0.000 0.749 237 L CB -0.578 41.464 42.059 -0.029 0.000 0.893 237 L HN 0.325 nan 8.230 nan 0.000 0.432 238 E N -0.086 120.080 120.200 -0.057 0.000 2.347 238 E HA -0.097 4.254 4.350 0.000 0.000 0.196 238 E C 2.109 178.662 176.600 -0.079 0.000 1.008 238 E CA 1.036 57.402 56.400 -0.057 0.000 0.852 238 E CB 0.041 29.717 29.700 -0.040 0.000 0.783 238 E HN 0.468 nan 8.360 nan 0.000 0.505 239 A N 0.536 123.295 122.820 -0.103 0.000 1.975 239 A HA -0.008 4.313 4.320 0.000 0.000 0.215 239 A C 2.466 179.904 177.584 -0.243 0.000 1.170 239 A CA 0.482 52.433 52.037 -0.142 0.000 0.656 239 A CB -0.149 18.773 19.000 -0.130 0.000 0.821 239 A HN 0.104 nan 8.150 nan 0.000 0.449 240 V N -0.154 119.603 119.914 -0.261 0.000 2.379 240 V HA -0.153 3.967 4.120 0.000 0.000 0.245 240 V C 3.003 178.971 176.094 -0.211 0.000 1.044 240 V CA 1.692 63.781 62.300 -0.351 0.000 1.036 240 V CB -0.903 30.769 31.823 -0.253 0.000 0.664 240 V HN 0.560 nan 8.190 nan 0.000 0.453 241 A N -0.298 122.446 122.820 -0.126 0.000 2.019 241 A HA -0.247 4.073 4.320 0.000 0.000 0.219 241 A C 2.176 179.719 177.584 -0.068 0.000 1.164 241 A CA 2.101 54.094 52.037 -0.074 0.000 0.644 241 A CB -0.418 18.552 19.000 -0.051 0.000 0.805 241 A HN 0.449 nan 8.150 nan 0.000 0.449 242 K N -0.111 120.235 120.400 -0.089 0.000 2.155 242 K HA 0.116 4.436 4.320 0.000 0.000 0.203 242 K C 1.865 178.429 176.600 -0.060 0.000 1.052 242 K CA 1.234 57.480 56.287 -0.068 0.000 0.948 242 K CB -0.345 32.112 32.500 -0.072 0.000 0.728 242 K HN 0.358 nan 8.250 nan 0.000 0.448 243 A N -0.472 122.286 122.820 -0.104 0.000 2.067 243 A HA 0.198 4.518 4.320 0.000 0.000 0.217 243 A C 1.431 179.027 177.584 0.019 0.000 1.156 243 A CA 0.904 52.916 52.037 -0.042 0.000 0.683 243 A CB -0.628 18.292 19.000 -0.133 0.000 0.808 243 A HN 0.420 nan 8.150 nan 0.000 0.455 244 G N -0.897 107.898 108.800 -0.009 0.000 2.221 244 G HA2 -0.229 3.731 3.960 0.000 0.000 0.265 244 G HA3 -0.229 3.731 3.960 0.000 0.000 0.265 244 G C -0.017 174.913 174.900 0.049 0.000 1.041 244 G CA 0.770 45.880 45.100 0.015 0.000 0.807 244 G HN 0.458 nan 8.290 nan 0.000 0.502 245 K N -0.458 119.987 120.400 0.075 0.000 2.477 245 K HA 0.511 4.831 4.320 0.000 0.000 0.255 245 K C -2.520 174.162 176.600 0.136 0.000 0.952 245 K CA -2.003 54.365 56.287 0.136 0.000 0.826 245 K CB 2.174 34.824 32.500 0.250 0.000 1.331 245 K HN -0.061 nan 8.250 nan 0.000 0.437 246 P HA 0.071 nan 4.420 nan 0.000 0.271 246 P C -0.825 176.548 177.300 0.121 0.000 1.233 246 P CA -0.401 62.751 63.100 0.086 0.000 0.795 246 P CB 0.390 32.126 31.700 0.059 0.000 0.936 247 L N 1.332 122.591 121.223 0.060 0.000 2.470 247 L HA 0.575 4.915 4.340 0.000 0.000 0.268 247 L C -1.814 175.060 176.870 0.006 0.000 0.964 247 L CA -0.767 54.111 54.840 0.063 0.000 0.839 247 L CB 1.718 43.794 42.059 0.028 0.000 1.276 247 L HN 0.099 nan 8.230 nan 0.000 0.403 248 L N 6.238 127.476 121.223 0.026 0.000 2.276 248 L HA 0.627 4.967 4.340 0.000 0.000 0.286 248 L C -0.977 175.901 176.870 0.013 0.000 1.024 248 L CA -0.023 54.813 54.840 -0.005 0.000 0.826 248 L CB 0.938 43.007 42.059 0.017 0.000 1.211 248 L HN 0.599 nan 8.230 nan 0.000 0.422 249 I N 6.469 127.030 120.570 -0.014 0.000 2.325 249 I HA 0.337 4.507 4.170 0.000 0.000 0.291 249 I C -0.385 175.751 176.117 0.030 0.000 1.019 249 I CA -0.087 61.218 61.300 0.009 0.000 1.302 249 I CB 0.828 38.829 38.000 0.002 0.000 1.401 249 I HN 0.482 nan 8.210 nan 0.000 0.485 250 I N 6.348 126.943 120.570 0.041 0.000 2.410 250 I HA 0.736 4.906 4.170 0.000 0.000 0.286 250 I C 0.024 176.153 176.117 0.021 0.000 1.009 250 I CA -0.153 61.175 61.300 0.047 0.000 1.111 250 I CB 1.591 39.621 38.000 0.050 0.000 1.262 250 I HN 0.710 nan 8.210 nan 0.000 0.443 251 A N 4.612 127.448 122.820 0.026 0.000 2.533 251 A HA 0.481 4.801 4.320 0.000 0.000 0.293 251 A C 0.624 178.222 177.584 0.023 0.000 1.228 251 A CA -0.504 51.544 52.037 0.018 0.000 0.689 251 A CB 1.155 20.171 19.000 0.026 0.000 1.303 251 A HN 0.662 nan 8.150 nan 0.000 0.444 252 E N -0.509 119.705 120.200 0.023 0.000 2.086 252 E HA -0.171 4.179 4.350 0.000 0.000 0.200 252 E C -0.356 176.272 176.600 0.047 0.000 1.012 252 E CA 2.129 58.548 56.400 0.032 0.000 0.812 252 E CB 0.089 29.809 29.700 0.032 0.000 0.743 252 E HN 0.550 nan 8.360 nan 0.000 0.453 253 D N -2.612 117.818 120.400 0.050 0.000 2.742 253 D HA 0.146 4.787 4.640 0.000 0.000 0.262 253 D C -1.906 174.433 176.300 0.064 0.000 1.240 253 D CA -0.422 53.615 54.000 0.063 0.000 0.752 253 D CB 1.705 42.540 40.800 0.058 0.000 1.290 253 D HN -0.204 nan 8.370 nan 0.000 0.420 254 V N 2.059 122.022 119.914 0.081 0.000 2.407 254 V HA 0.526 4.646 4.120 0.000 0.000 0.291 254 V C -0.328 175.816 176.094 0.084 0.000 1.018 254 V CA -0.599 61.752 62.300 0.084 0.000 0.842 254 V CB 1.539 33.426 31.823 0.107 0.000 0.996 254 V HN 0.415 nan 8.190 nan 0.000 0.426 255 E N 2.491 122.729 120.200 0.064 0.000 2.256 255 E HA 0.623 4.973 4.350 0.000 0.000 0.267 255 E C 0.926 177.552 176.600 0.044 0.000 0.892 255 E CA -0.078 56.354 56.400 0.053 0.000 0.775 255 E CB 2.354 32.079 29.700 0.042 0.000 1.207 255 E HN 0.803 nan 8.360 nan 0.000 0.420 256 G N 2.699 111.522 108.800 0.037 0.000 2.699 256 G HA2 -0.478 3.482 3.960 0.000 0.000 0.351 256 G HA3 -0.478 3.482 3.960 0.000 0.000 0.351 256 G C 1.164 176.078 174.900 0.024 0.000 1.191 256 G CA 0.998 46.113 45.100 0.025 0.000 0.953 256 G HN 0.680 nan 8.290 nan 0.000 0.557 257 E N 1.327 121.539 120.200 0.020 0.000 2.070 257 E HA -0.136 4.214 4.350 0.000 0.000 0.197 257 E C 2.979 179.593 176.600 0.024 0.000 1.004 257 E CA 2.258 58.668 56.400 0.016 0.000 0.805 257 E CB -0.596 29.112 29.700 0.013 0.000 0.744 257 E HN 0.763 nan 8.360 nan 0.000 0.451 258 A N 0.670 123.509 122.820 0.032 0.000 1.968 258 A HA -0.111 4.209 4.320 0.000 0.000 0.217 258 A C 2.124 179.745 177.584 0.062 0.000 1.169 258 A CA 1.041 53.103 52.037 0.042 0.000 0.638 258 A CB -0.366 18.660 19.000 0.042 0.000 0.812 258 A HN 0.315 nan 8.150 nan 0.000 0.446 259 L N -0.548 120.716 121.223 0.068 0.000 2.068 259 L HA 0.173 4.513 4.340 0.000 0.000 0.204 259 L C 2.584 179.495 176.870 0.069 0.000 1.076 259 L CA 1.995 56.894 54.840 0.098 0.000 0.753 259 L CB -0.766 41.351 42.059 0.095 0.000 0.910 259 L HN 0.265 nan 8.230 nan 0.000 0.439 260 A N -1.297 121.540 122.820 0.028 0.000 1.972 260 A HA -0.175 4.145 4.320 0.000 0.000 0.219 260 A C 2.166 179.747 177.584 -0.005 0.000 1.169 260 A CA 2.164 54.197 52.037 -0.007 0.000 0.635 260 A CB -1.157 17.833 19.000 -0.017 0.000 0.810 260 A HN 0.550 nan 8.150 nan 0.000 0.446 261 T N 0.177 114.741 114.554 0.017 0.000 2.904 261 T HA 0.016 4.366 4.350 0.000 0.000 0.267 261 T C 1.717 176.441 174.700 0.040 0.000 1.059 261 T CA 1.251 63.362 62.100 0.018 0.000 1.137 261 T CB -0.257 68.623 68.868 0.020 0.000 0.879 261 T HN 0.377 nan 8.240 nan 0.000 0.467 262 L N 0.599 121.871 121.223 0.081 0.000 2.179 262 L HA 0.022 4.362 4.340 0.000 0.000 0.208 262 L C 2.609 179.592 176.870 0.187 0.000 1.096 262 L CA 0.431 55.357 54.840 0.145 0.000 0.779 262 L CB -0.550 41.630 42.059 0.202 0.000 0.922 262 L HN 0.116 nan 8.230 nan 0.000 0.443 263 V N 0.062 120.032 119.914 0.093 0.000 2.295 263 V HA -0.239 3.881 4.120 0.000 0.000 0.246 263 V C 2.534 178.595 176.094 -0.056 0.000 1.049 263 V CA 1.937 64.206 62.300 -0.051 0.000 1.024 263 V CB -0.370 31.341 31.823 -0.187 0.000 0.648 263 V HN 0.416 nan 8.190 nan 0.000 0.447 264 V N -1.409 118.471 119.914 -0.058 0.000 2.427 264 V HA -0.211 3.909 4.120 0.000 0.000 0.248 264 V C 1.969 178.055 176.094 -0.013 0.000 1.051 264 V CA 2.300 64.564 62.300 -0.060 0.000 1.048 264 V CB -1.169 30.616 31.823 -0.063 0.000 0.666 264 V HN 0.558 nan 8.190 nan 0.000 0.456 265 N N 0.313 119.025 118.700 0.019 0.000 2.142 265 N HA -0.171 4.569 4.740 0.000 0.000 0.186 265 N C 1.987 177.529 175.510 0.052 0.000 1.023 265 N CA 1.982 55.051 53.050 0.032 0.000 0.852 265 N CB -0.161 38.349 38.487 0.038 0.000 0.998 265 N HN 0.586 nan 8.380 nan 0.000 0.424 266 T N 0.476 115.089 114.554 0.098 0.000 2.985 266 T HA 0.070 4.420 4.350 0.000 0.000 0.266 266 T C 1.790 176.547 174.700 0.095 0.000 1.076 266 T CA 0.475 62.651 62.100 0.127 0.000 1.135 266 T CB 0.162 69.187 68.868 0.262 0.000 0.890 266 T HN 0.111 nan 8.240 nan 0.000 0.480 267 M N -0.442 119.195 119.600 0.061 0.000 2.357 267 M HA 0.173 4.653 4.480 0.000 0.000 0.266 267 M C 2.334 178.641 176.300 0.012 0.000 1.095 267 M CA 0.997 56.318 55.300 0.034 0.000 1.156 267 M CB 0.083 32.682 32.600 -0.002 0.000 1.365 267 M HN 0.102 nan 8.290 nan 0.000 0.447 268 R N -0.848 119.652 120.500 -0.000 0.000 2.153 268 R HA 0.038 4.378 4.340 0.000 0.000 0.218 268 R C 1.439 177.738 176.300 -0.001 0.000 1.072 268 R CA 1.104 57.198 56.100 -0.009 0.000 0.990 268 R CB 0.285 30.574 30.300 -0.018 0.000 0.889 268 R HN 0.611 nan 8.270 nan 0.000 0.452 269 G N -0.550 108.256 108.800 0.010 0.000 3.967 269 G HA2 -0.191 3.769 3.960 0.000 0.000 0.210 269 G HA3 -0.191 3.769 3.960 0.000 0.000 0.210 269 G C 0.775 175.685 174.900 0.017 0.000 1.127 269 G CA -0.239 44.869 45.100 0.013 0.000 0.887 269 G HN 0.034 nan 8.290 nan 0.000 0.367 270 I N 1.310 121.888 120.570 0.013 0.000 2.068 270 I HA 0.011 4.181 4.170 0.000 0.000 0.238 270 I C 1.012 177.135 176.117 0.009 0.000 1.046 270 I CA 1.909 63.213 61.300 0.007 0.000 1.306 270 I CB -0.241 37.762 38.000 0.004 0.000 1.023 270 I HN 0.119 nan 8.210 nan 0.000 0.399 271 V N -0.025 119.897 119.914 0.014 0.000 2.760 271 V HA 0.330 4.450 4.120 0.000 0.000 0.309 271 V C -0.419 175.690 176.094 0.025 0.000 1.077 271 V CA -1.154 61.153 62.300 0.012 0.000 0.910 271 V CB 1.989 33.811 31.823 -0.002 0.000 1.008 271 V HN -0.026 nan 8.190 nan 0.000 0.424 272 K N 2.775 123.191 120.400 0.026 0.000 2.312 272 K HA 0.641 4.961 4.320 0.000 0.000 0.287 272 K C -0.971 175.637 176.600 0.013 0.000 1.062 272 K CA 0.094 56.401 56.287 0.034 0.000 0.934 272 K CB 0.990 33.510 32.500 0.034 0.000 1.027 272 K HN 0.458 nan 8.250 nan 0.000 0.478 273 V N 2.264 122.179 119.914 0.001 0.000 2.686 273 V HA 0.754 4.874 4.120 0.000 0.000 0.306 273 V C -0.899 175.007 176.094 -0.314 0.000 1.065 273 V CA -1.154 61.096 62.300 -0.084 0.000 0.894 273 V CB 1.935 33.735 31.823 -0.038 0.000 1.004 273 V HN 0.784 nan 8.190 nan 0.000 0.424 274 A N 3.250 125.814 122.820 -0.427 0.000 2.386 274 A HA 1.016 5.336 4.320 0.000 0.000 0.311 274 A C -0.388 176.847 177.584 -0.582 0.000 1.068 274 A CA -0.279 51.248 52.037 -0.850 0.000 0.743 274 A CB 1.821 20.564 19.000 -0.429 0.000 1.258 274 A HN 1.596 nan 8.150 nan 0.000 0.429 275 A N 1.284 123.694 122.820 -0.684 0.000 2.374 275 A HA 0.775 5.095 4.320 0.000 0.000 0.305 275 A C -0.437 177.168 177.584 0.035 0.000 1.053 275 A CA -0.134 51.800 52.037 -0.172 0.000 0.726 275 A CB 1.169 20.144 19.000 -0.041 0.000 1.229 275 A HN 2.263 nan 8.150 nan 0.000 0.431 276 V N -0.337 119.627 119.914 0.084 0.000 3.007 276 V HA 0.638 4.758 4.120 0.000 0.000 0.311 276 V C -0.408 175.776 176.094 0.149 0.000 1.120 276 V CA -1.262 61.129 62.300 0.151 0.000 0.980 276 V CB 1.578 33.508 31.823 0.177 0.000 1.033 276 V HN 0.850 nan 8.190 nan 0.000 0.429 277 K N 1.944 122.435 120.400 0.152 0.000 2.319 277 K HA 0.606 4.926 4.320 0.000 0.000 0.265 277 K C 0.468 177.129 176.600 0.101 0.000 1.000 277 K CA 0.312 56.668 56.287 0.115 0.000 0.943 277 K CB 1.029 33.592 32.500 0.105 0.000 0.950 277 K HN 1.121 nan 8.250 nan 0.000 0.485 278 A N 3.770 126.599 122.820 0.014 0.000 2.445 278 A HA 0.200 4.520 4.320 0.000 0.000 0.242 278 A C -2.034 175.481 177.584 -0.115 0.000 1.075 278 A CA -1.090 50.880 52.037 -0.112 0.000 0.777 278 A CB -0.394 18.550 19.000 -0.093 0.000 1.013 278 A HN 0.441 nan 8.150 nan 0.000 0.493 279 P HA 0.383 nan 4.420 nan 0.000 0.272 279 P C 0.725 178.000 177.300 -0.042 0.000 1.223 279 P CA 1.398 64.412 63.100 -0.144 0.000 0.784 279 P CB 0.536 32.038 31.700 -0.329 0.000 0.923 280 G N 1.612 110.451 108.800 0.065 0.000 2.697 280 G HA2 -0.065 3.895 3.960 0.000 0.000 0.240 280 G HA3 -0.065 3.895 3.960 0.000 0.000 0.240 280 G C -0.866 174.164 174.900 0.217 0.000 1.346 280 G CA 0.060 45.238 45.100 0.130 0.000 0.887 280 G HN 0.753 nan 8.290 nan 0.000 0.569 281 F N -1.913 118.041 119.950 0.007 0.000 2.626 281 F HA 0.790 5.317 4.527 0.000 0.000 0.311 281 F C 0.976 176.783 175.800 0.011 0.000 1.088 281 F CA 0.347 58.353 58.000 0.009 0.000 0.949 281 F CB 1.160 40.172 39.000 0.019 0.000 1.322 281 F HN 2.469 nan 8.300 nan 0.000 0.461 282 G N 1.974 110.768 108.800 -0.010 0.000 2.556 282 G HA2 -0.335 3.625 3.960 0.000 0.000 0.283 282 G HA3 -0.335 3.625 3.960 0.000 0.000 0.283 282 G C 0.364 175.184 174.900 -0.134 0.000 1.177 282 G CA 0.718 45.757 45.100 -0.102 0.000 0.978 282 G HN 0.832 nan 8.290 nan 0.000 0.554 283 D N 1.177 121.476 120.400 -0.168 0.000 2.178 283 D HA -0.033 4.607 4.640 0.000 0.000 0.202 283 D C 2.548 178.772 176.300 -0.128 0.000 0.974 283 D CA 1.540 55.470 54.000 -0.117 0.000 0.841 283 D CB -0.202 40.542 40.800 -0.095 0.000 0.953 283 D HN 0.698 nan 8.370 nan 0.000 0.478 284 R N 0.218 120.606 120.500 -0.186 0.000 2.310 284 R HA 0.218 4.558 4.340 0.000 0.000 0.202 284 R C 1.928 178.149 176.300 -0.133 0.000 0.933 284 R CA -0.007 56.001 56.100 -0.154 0.000 1.054 284 R CB 0.074 30.275 30.300 -0.164 0.000 0.985 284 R HN -0.001 nan 8.270 nan 0.000 0.489 285 R N 2.184 122.608 120.500 -0.126 0.000 2.055 285 R HA -0.008 4.332 4.340 0.000 0.000 0.226 285 R C 1.348 177.600 176.300 -0.080 0.000 1.135 285 R CA 1.302 57.352 56.100 -0.083 0.000 0.959 285 R CB 0.037 30.317 30.300 -0.034 0.000 0.854 285 R HN 0.162 nan 8.270 nan 0.000 0.431 286 K N 0.238 120.598 120.400 -0.067 0.000 2.103 286 K HA -0.130 4.190 4.320 0.000 0.000 0.207 286 K C 2.071 178.634 176.600 -0.061 0.000 1.048 286 K CA 1.583 57.837 56.287 -0.055 0.000 0.930 286 K CB -0.165 32.310 32.500 -0.043 0.000 0.716 286 K HN 0.220 nan 8.250 nan 0.000 0.444 287 A N 1.244 124.023 122.820 -0.069 0.000 1.898 287 A HA -0.097 4.223 4.320 0.000 0.000 0.216 287 A C 2.111 179.651 177.584 -0.073 0.000 1.181 287 A CA 1.282 53.280 52.037 -0.066 0.000 0.620 287 A CB -0.364 18.595 19.000 -0.068 0.000 0.819 287 A HN 0.168 nan 8.150 nan 0.000 0.442 288 M N -0.845 118.700 119.600 -0.093 0.000 2.319 288 M HA 0.018 4.498 4.480 0.000 0.000 0.265 288 M C 2.036 178.257 176.300 -0.132 0.000 1.068 288 M CA 0.882 56.114 55.300 -0.114 0.000 1.118 288 M CB -0.341 32.175 32.600 -0.141 0.000 1.395 288 M HN 0.376 nan 8.290 nan 0.000 0.435 289 L N 0.003 121.153 121.223 -0.121 0.000 2.083 289 L HA -0.239 4.101 4.340 0.000 0.000 0.209 289 L C 2.624 179.451 176.870 -0.071 0.000 1.083 289 L CA 1.210 55.986 54.840 -0.107 0.000 0.752 289 L CB -0.320 41.690 42.059 -0.082 0.000 0.899 289 L HN 0.297 nan 8.230 nan 0.000 0.433 290 Q N 0.108 119.873 119.800 -0.058 0.000 2.119 290 Q HA -0.200 4.140 4.340 0.000 0.000 0.201 290 Q C 1.612 177.589 176.000 -0.039 0.000 0.972 290 Q CA 1.681 57.460 55.803 -0.041 0.000 0.847 290 Q CB -0.082 28.634 28.738 -0.036 0.000 0.903 290 Q HN 0.390 nan 8.270 nan 0.000 0.433 291 D N -0.261 120.110 120.400 -0.048 0.000 2.104 291 D HA -0.149 4.491 4.640 0.000 0.000 0.194 291 D C 1.758 178.041 176.300 -0.029 0.000 0.994 291 D CA 1.349 55.326 54.000 -0.039 0.000 0.830 291 D CB -0.192 40.580 40.800 -0.046 0.000 0.959 291 D HN 0.358 nan 8.370 nan 0.000 0.452 292 I N 0.828 121.372 120.570 -0.044 0.000 2.394 292 I HA -0.223 3.947 4.170 0.000 0.000 0.251 292 I C 2.383 178.495 176.117 -0.008 0.000 1.136 292 I CA 0.846 62.134 61.300 -0.021 0.000 1.425 292 I CB -0.178 37.792 38.000 -0.050 0.000 1.079 292 I HN -0.066 nan 8.210 nan 0.000 0.425 293 A N 0.828 123.637 122.820 -0.018 0.000 1.877 293 A HA -0.186 4.134 4.320 0.000 0.000 0.216 293 A C 2.391 179.971 177.584 -0.007 0.000 1.186 293 A CA 2.412 54.444 52.037 -0.010 0.000 0.620 293 A CB -1.105 17.887 19.000 -0.013 0.000 0.822 293 A HN 0.438 nan 8.150 nan 0.000 0.443 294 T N -0.058 114.490 114.554 -0.010 0.000 2.951 294 T HA 0.008 4.359 4.350 0.000 0.000 0.268 294 T C 1.732 176.428 174.700 -0.007 0.000 1.073 294 T CA 0.864 62.959 62.100 -0.009 0.000 1.134 294 T CB -0.198 68.664 68.868 -0.011 0.000 0.884 294 T HN 0.241 nan 8.240 nan 0.000 0.479 295 L N 2.478 123.699 121.223 -0.004 0.000 2.201 295 L HA -0.035 4.305 4.340 0.000 0.000 0.212 295 L C 2.123 178.992 176.870 -0.001 0.000 1.105 295 L CA 2.065 56.905 54.840 0.001 0.000 0.775 295 L CB -1.025 41.041 42.059 0.012 0.000 0.913 295 L HN 0.510 nan 8.230 nan 0.000 0.440 296 T N -5.290 109.262 114.554 -0.003 0.000 2.959 296 T HA 0.280 4.630 4.350 0.000 0.000 0.254 296 T C 1.193 175.882 174.700 -0.019 0.000 1.003 296 T CA 0.472 62.565 62.100 -0.010 0.000 0.950 296 T CB 0.494 69.362 68.868 -0.001 0.000 1.090 296 T HN 0.395 nan 8.240 nan 0.000 0.503 297 G N 0.652 109.445 108.800 -0.011 0.000 2.204 297 G HA2 0.160 4.120 3.960 0.000 0.000 0.244 297 G HA3 0.160 4.120 3.960 0.000 0.000 0.244 297 G C 0.224 175.123 174.900 -0.001 0.000 1.062 297 G CA -0.278 44.816 45.100 -0.010 0.000 0.798 297 G HN 1.032 nan 8.290 nan 0.000 0.496 298 G N -1.342 107.460 108.800 0.004 0.000 2.568 298 G HA2 0.835 4.795 3.960 0.000 0.000 0.313 298 G HA3 0.835 4.795 3.960 0.000 0.000 0.313 298 G C -0.358 174.548 174.900 0.009 0.000 1.227 298 G CA 0.136 45.245 45.100 0.014 0.000 0.979 298 G HN 0.681 nan 8.290 nan 0.000 0.486 299 T N 0.102 114.665 114.554 0.014 0.000 2.823 299 T HA 0.425 4.775 4.350 0.000 0.000 0.279 299 T C -0.057 174.646 174.700 0.005 0.000 0.998 299 T CA -0.377 61.727 62.100 0.008 0.000 0.994 299 T CB 1.842 70.716 68.868 0.010 0.000 0.960 299 T HN 0.324 nan 8.240 nan 0.000 0.448 300 V N 4.120 124.033 119.914 -0.002 0.000 2.370 300 V HA 0.189 4.309 4.120 0.000 0.000 0.257 300 V C 0.195 176.287 176.094 -0.003 0.000 1.064 300 V CA -0.474 61.822 62.300 -0.006 0.000 0.975 300 V CB -0.543 31.271 31.823 -0.015 0.000 1.067 300 V HN 0.745 nan 8.190 nan 0.000 0.485 301 I N 5.562 126.133 120.570 0.001 0.000 2.293 301 I HA 0.115 4.285 4.170 0.000 0.000 0.299 301 I C 0.797 176.915 176.117 0.001 0.000 1.153 301 I CA 0.823 62.125 61.300 0.003 0.000 1.302 301 I CB 0.429 38.433 38.000 0.006 0.000 1.460 301 I HN 0.690 nan 8.210 nan 0.000 0.552 302 S N 3.750 119.449 115.700 -0.001 0.000 2.438 302 S HA 0.284 4.754 4.470 0.000 0.000 0.316 302 S C 0.900 175.500 174.600 0.001 0.000 1.084 302 S CA -0.815 57.384 58.200 -0.001 0.000 1.107 302 S CB 1.013 64.210 63.200 -0.005 0.000 0.981 302 S HN 0.717 nan 8.310 nan 0.000 0.466 303 E N 1.897 122.099 120.200 0.003 0.000 2.401 303 E HA -0.227 4.123 4.350 0.000 0.000 0.199 303 E C 1.342 177.944 176.600 0.003 0.000 1.023 303 E CA 0.969 57.371 56.400 0.004 0.000 0.859 303 E CB -0.150 29.553 29.700 0.006 0.000 0.780 303 E HN 0.859 nan 8.360 nan 0.000 0.523 304 E N 0.862 121.063 120.200 0.002 0.000 2.160 304 E HA -0.185 4.165 4.350 0.000 0.000 0.195 304 E C 1.892 178.492 176.600 -0.000 0.000 0.991 304 E CA 1.300 57.701 56.400 0.001 0.000 0.810 304 E CB 0.011 29.711 29.700 -0.001 0.000 0.742 304 E HN 0.470 nan 8.360 nan 0.000 0.466 305 I N -1.669 118.901 120.570 -0.001 0.000 2.494 305 I HA 0.052 4.222 4.170 0.000 0.000 0.250 305 I C 1.824 177.941 176.117 0.000 0.000 1.112 305 I CA 1.006 62.305 61.300 -0.001 0.000 1.438 305 I CB 0.441 38.440 38.000 -0.002 0.000 1.111 305 I HN 0.343 nan 8.210 nan 0.000 0.431 306 G N 0.042 108.842 108.800 0.001 0.000 3.254 306 G HA2 -0.058 3.903 3.960 0.000 0.000 0.219 306 G HA3 -0.058 3.903 3.960 0.000 0.000 0.219 306 G C 0.331 175.232 174.900 0.002 0.000 0.964 306 G CA -0.612 44.489 45.100 0.002 0.000 0.823 306 G HN 0.076 nan 8.290 nan 0.000 0.579 307 M N 1.908 121.509 119.600 0.002 0.000 2.246 307 M HA 0.438 4.919 4.480 0.000 0.000 0.350 307 M C 0.141 176.443 176.300 0.003 0.000 1.406 307 M CA 0.785 56.087 55.300 0.003 0.000 1.089 307 M CB 0.474 33.076 32.600 0.003 0.000 1.782 307 M HN 0.115 nan 8.290 nan 0.000 0.457 308 E N 2.140 122.342 120.200 0.003 0.000 2.221 308 E HA 0.308 4.658 4.350 0.000 0.000 0.268 308 E C 0.204 176.806 176.600 0.004 0.000 0.933 308 E CA -0.646 55.757 56.400 0.004 0.000 0.809 308 E CB 1.875 31.577 29.700 0.004 0.000 1.190 308 E HN 0.681 nan 8.360 nan 0.000 0.406 309 L N 1.595 122.821 121.223 0.005 0.000 2.465 309 L HA -0.108 4.232 4.340 0.000 0.000 0.224 309 L C 1.576 178.446 176.870 0.001 0.000 1.145 309 L CA 0.766 55.608 54.840 0.004 0.000 0.834 309 L CB -0.213 41.850 42.059 0.006 0.000 0.944 309 L HN 0.540 nan 8.230 nan 0.000 0.451 310 E N 0.371 120.571 120.200 0.001 0.000 2.150 310 E HA -0.168 4.182 4.350 0.000 0.000 0.193 310 E C 1.788 178.386 176.600 -0.002 0.000 0.985 310 E CA 1.008 57.407 56.400 -0.001 0.000 0.814 310 E CB 0.094 29.794 29.700 -0.000 0.000 0.752 310 E HN 0.372 nan 8.360 nan 0.000 0.466 311 K N -0.140 120.260 120.400 -0.001 0.000 2.354 311 K HA 0.301 4.621 4.320 0.000 0.000 0.194 311 K C 0.291 176.891 176.600 0.000 0.000 1.038 311 K CA 0.132 56.419 56.287 -0.001 0.000 1.052 311 K CB 0.864 33.364 32.500 0.001 0.000 0.861 311 K HN -0.014 nan 8.250 nan 0.000 0.535 312 A N 2.550 125.371 122.820 0.001 0.000 2.524 312 A HA 0.133 4.453 4.320 0.000 0.000 0.250 312 A C 0.617 178.200 177.584 -0.000 0.000 1.078 312 A CA 0.097 52.136 52.037 0.004 0.000 0.761 312 A CB -0.126 18.878 19.000 0.007 0.000 1.012 312 A HN 0.303 nan 8.150 nan 0.000 0.500 313 T N 0.461 115.018 114.554 0.005 0.000 2.844 313 T HA 0.544 4.894 4.350 0.000 0.000 0.274 313 T C 1.267 175.974 174.700 0.013 0.000 0.991 313 T CA -0.538 61.562 62.100 0.001 0.000 0.983 313 T CB 0.277 69.147 68.868 0.004 0.000 1.310 313 T HN 0.276 nan 8.240 nan 0.000 0.596 314 L N 1.095 122.326 121.223 0.012 0.000 1.994 314 L HA -0.065 4.275 4.340 0.000 0.000 0.208 314 L C 3.003 179.949 176.870 0.127 0.000 1.071 314 L CA 1.785 56.655 54.840 0.050 0.000 0.745 314 L CB -0.593 41.489 42.059 0.039 0.000 0.892 314 L HN 0.848 nan 8.230 nan 0.000 0.431 315 E N -0.383 119.870 120.200 0.088 0.000 2.472 315 E HA -0.204 4.147 4.350 0.000 0.000 0.200 315 E C 0.857 177.495 176.600 0.063 0.000 1.046 315 E CA 1.110 57.558 56.400 0.079 0.000 0.871 315 E CB -0.309 29.422 29.700 0.052 0.000 0.806 315 E HN 0.496 nan 8.360 nan 0.000 0.533 316 D N 0.974 121.409 120.400 0.059 0.000 2.183 316 D HA 0.034 4.674 4.640 0.000 0.000 0.203 316 D C 0.446 176.781 176.300 0.059 0.000 0.969 316 D CA 0.453 54.480 54.000 0.046 0.000 0.842 316 D CB -0.087 40.733 40.800 0.033 0.000 0.957 316 D HN 0.169 nan 8.370 nan 0.000 0.484 317 L N 0.561 121.843 121.223 0.098 0.000 2.397 317 L HA 0.402 4.742 4.340 0.000 0.000 0.271 317 L C 1.406 178.333 176.870 0.095 0.000 1.148 317 L CA -0.263 54.651 54.840 0.123 0.000 0.825 317 L CB 1.076 43.271 42.059 0.226 0.000 1.117 317 L HN -0.108 nan 8.230 nan 0.000 0.456 318 G N 1.381 110.212 108.800 0.052 0.000 2.588 318 G HA2 0.536 4.496 3.960 0.000 0.000 0.281 318 G HA3 0.536 4.496 3.960 0.000 0.000 0.281 318 G C -0.790 174.076 174.900 -0.057 0.000 1.236 318 G CA -0.357 44.743 45.100 0.000 0.000 0.969 318 G HN 0.552 nan 8.290 nan 0.000 0.504 319 Q N -1.794 117.943 119.800 -0.104 0.000 2.501 319 Q HA 0.629 4.969 4.340 0.000 0.000 0.288 319 Q C -0.929 175.002 176.000 -0.115 0.000 1.051 319 Q CA -0.865 54.825 55.803 -0.188 0.000 0.788 319 Q CB 2.624 31.175 28.738 -0.313 0.000 1.469 319 Q HN 0.868 nan 8.270 nan 0.000 0.416 320 A N 0.559 123.308 122.820 -0.119 0.000 2.610 320 A HA 0.383 4.703 4.320 0.000 0.000 0.291 320 A C -0.458 177.083 177.584 -0.071 0.000 1.086 320 A CA -0.520 51.474 52.037 -0.071 0.000 0.677 320 A CB 1.589 20.567 19.000 -0.036 0.000 1.278 320 A HN 0.591 nan 8.150 nan 0.000 0.414 321 K N -0.335 120.037 120.400 -0.047 0.000 2.137 321 K HA 0.122 4.442 4.320 0.000 0.000 0.202 321 K C 0.557 177.142 176.600 -0.025 0.000 1.052 321 K CA 1.090 57.354 56.287 -0.038 0.000 0.961 321 K CB 0.100 32.584 32.500 -0.028 0.000 0.741 321 K HN 0.623 nan 8.250 nan 0.000 0.452 322 R N -1.023 119.465 120.500 -0.019 0.000 2.734 322 R HA 0.366 4.706 4.340 0.000 0.000 0.271 322 R C -2.072 174.222 176.300 -0.010 0.000 1.021 322 R CA -0.617 55.476 56.100 -0.011 0.000 0.893 322 R CB 2.331 32.627 30.300 -0.008 0.000 1.244 322 R HN -0.080 nan 8.270 nan 0.000 0.464 323 V N 2.704 122.614 119.914 -0.007 0.000 2.752 323 V HA 0.550 4.670 4.120 0.000 0.000 0.302 323 V C -1.810 174.279 176.094 -0.009 0.000 1.133 323 V CA -0.440 61.853 62.300 -0.011 0.000 0.919 323 V CB 2.155 33.974 31.823 -0.006 0.000 1.026 323 V HN 0.481 nan 8.190 nan 0.000 0.429 324 V N 8.172 128.072 119.914 -0.023 0.000 2.378 324 V HA 0.572 4.692 4.120 0.000 0.000 0.288 324 V C -0.230 175.848 176.094 -0.027 0.000 1.016 324 V CA -0.345 61.949 62.300 -0.010 0.000 0.840 324 V CB 1.584 33.403 31.823 -0.007 0.000 0.994 324 V HN 0.746 nan 8.190 nan 0.000 0.431 325 I N 4.876 125.460 120.570 0.023 0.000 2.355 325 I HA 0.430 4.600 4.170 0.000 0.000 0.288 325 I C 0.258 176.437 176.117 0.103 0.000 0.999 325 I CA -0.276 61.048 61.300 0.040 0.000 1.163 325 I CB 1.380 39.446 38.000 0.111 0.000 1.316 325 I HN 0.493 nan 8.210 nan 0.000 0.454 326 N N 4.309 122.997 118.700 -0.019 0.000 2.431 326 N HA 0.263 5.003 4.740 0.000 0.000 0.289 326 N C 0.960 176.248 175.510 -0.370 0.000 1.277 326 N CA -0.315 52.705 53.050 -0.051 0.000 0.972 326 N CB 0.693 39.138 38.487 -0.070 0.000 1.143 326 N HN 0.377 nan 8.380 nan 0.000 0.578 327 K N -0.262 119.906 120.400 -0.386 0.000 2.283 327 K HA -0.097 4.223 4.320 0.000 0.000 0.202 327 K C -0.419 175.906 176.600 -0.458 0.000 1.048 327 K CA 1.465 57.355 56.287 -0.662 0.000 0.948 327 K CB -0.072 32.286 32.500 -0.235 0.000 0.742 327 K HN 0.581 nan 8.250 nan 0.000 0.458 328 D N -1.579 118.657 120.400 -0.273 0.000 2.640 328 D HA 0.052 4.692 4.640 0.000 0.000 0.282 328 D C -0.628 175.592 176.300 -0.134 0.000 1.558 328 D CA -0.369 53.533 54.000 -0.164 0.000 0.820 328 D CB 0.640 41.382 40.800 -0.097 0.000 1.243 328 D HN -0.257 nan 8.370 nan 0.000 0.456 329 T N 0.130 114.581 114.554 -0.172 0.000 2.971 329 T HA 0.585 4.935 4.350 0.000 0.000 0.304 329 T C -1.004 173.533 174.700 -0.270 0.000 1.038 329 T CA -0.435 61.547 62.100 -0.197 0.000 1.007 329 T CB 2.082 70.866 68.868 -0.139 0.000 1.055 329 T HN -0.104 nan 8.240 nan 0.000 0.451 330 T N 2.365 116.616 114.554 -0.504 0.000 2.792 330 T HA 0.661 5.011 4.350 0.000 0.000 0.280 330 T C -0.284 174.066 174.700 -0.583 0.000 0.990 330 T CA -0.627 61.120 62.100 -0.588 0.000 0.960 330 T CB 1.533 69.884 68.868 -0.862 0.000 0.939 330 T HN 0.618 nan 8.240 nan 0.000 0.439 331 T N 3.244 117.625 114.554 -0.288 0.000 2.881 331 T HA 0.641 4.991 4.350 0.000 0.000 0.291 331 T C -0.719 173.931 174.700 -0.084 0.000 0.990 331 T CA -0.722 61.276 62.100 -0.171 0.000 0.976 331 T CB 0.187 68.988 68.868 -0.112 0.000 0.970 331 T HN 0.487 nan 8.240 nan 0.000 0.438 332 I N 5.798 126.349 120.570 -0.032 0.000 2.315 332 I HA 0.438 4.608 4.170 0.000 0.000 0.291 332 I C -0.310 175.806 176.117 -0.001 0.000 1.006 332 I CA -0.796 60.506 61.300 0.004 0.000 1.265 332 I CB 1.276 39.306 38.000 0.051 0.000 1.387 332 I HN 0.575 nan 8.210 nan 0.000 0.475 333 I N 5.911 126.476 120.570 -0.008 0.000 2.378 333 I HA 0.243 4.413 4.170 0.000 0.000 0.291 333 I C -0.232 175.878 176.117 -0.012 0.000 0.992 333 I CA -0.332 60.962 61.300 -0.010 0.000 1.154 333 I CB 1.159 39.153 38.000 -0.012 0.000 1.315 333 I HN 0.547 nan 8.210 nan 0.000 0.448 334 D N 4.970 125.363 120.400 -0.012 0.000 2.956 334 D HA -0.125 4.515 4.640 0.000 0.000 0.240 334 D C 0.206 176.493 176.300 -0.022 0.000 1.141 334 D CA 0.846 54.836 54.000 -0.016 0.000 0.820 334 D CB -0.299 40.490 40.800 -0.018 0.000 0.988 334 D HN 0.807 nan 8.370 nan 0.000 0.417 335 G N 0.282 109.072 108.800 -0.016 0.000 2.406 335 G HA2 0.370 4.330 3.960 0.000 0.000 0.251 335 G HA3 0.370 4.330 3.960 0.000 0.000 0.251 335 G C 1.429 176.313 174.900 -0.027 0.000 1.271 335 G CA -0.291 44.796 45.100 -0.021 0.000 0.859 335 G HN 0.286 nan 8.290 nan 0.000 0.540 336 V N 2.603 122.493 119.914 -0.040 0.000 3.041 336 V HA 0.051 4.171 4.120 0.000 0.000 0.260 336 V C 2.131 178.207 176.094 -0.030 0.000 1.105 336 V CA 0.601 62.876 62.300 -0.042 0.000 1.125 336 V CB -1.112 30.673 31.823 -0.063 0.000 0.730 336 V HN 0.830 nan 8.190 nan 0.000 0.479 337 G N 1.690 110.476 108.800 -0.024 0.000 2.097 337 G HA2 -0.058 3.902 3.960 0.000 0.000 0.256 337 G HA3 -0.058 3.902 3.960 0.000 0.000 0.256 337 G C 0.155 175.046 174.900 -0.014 0.000 1.082 337 G CA -0.006 45.084 45.100 -0.017 0.000 0.956 337 G HN 0.320 nan 8.290 nan 0.000 0.420 338 E N 1.930 122.122 120.200 -0.013 0.000 2.708 338 E HA -0.078 4.272 4.350 0.000 0.000 0.260 338 E C 0.959 177.553 176.600 -0.010 0.000 0.937 338 E CA 0.376 56.769 56.400 -0.011 0.000 0.953 338 E CB 0.592 30.287 29.700 -0.009 0.000 0.915 338 E HN 0.574 nan 8.360 nan 0.000 0.487 339 E N 1.941 122.136 120.200 -0.009 0.000 2.441 339 E HA 0.053 4.403 4.350 0.000 0.000 0.210 339 E C 0.490 177.086 176.600 -0.007 0.000 1.306 339 E CA 0.138 56.533 56.400 -0.008 0.000 1.307 339 E CB 0.081 29.776 29.700 -0.008 0.000 1.297 339 E HN 0.448 nan 8.360 nan 0.000 0.440 340 A N 0.029 122.844 122.820 -0.007 0.000 1.817 340 A HA 0.427 4.747 4.320 0.000 0.000 0.204 340 A C 2.001 179.581 177.584 -0.007 0.000 1.741 340 A CA 0.546 52.579 52.037 -0.007 0.000 1.196 340 A CB -0.050 18.946 19.000 -0.006 0.000 1.211 340 A HN 0.268 nan 8.150 nan 0.000 0.450 341 A N 0.415 123.231 122.820 -0.007 0.000 2.014 341 A HA 0.124 4.444 4.320 0.000 0.000 0.218 341 A C 1.912 179.491 177.584 -0.009 0.000 1.163 341 A CA 1.310 53.342 52.037 -0.008 0.000 0.652 341 A CB -0.641 18.354 19.000 -0.008 0.000 0.808 341 A HN 0.469 nan 8.150 nan 0.000 0.449 342 I N -0.615 119.950 120.570 -0.008 0.000 2.226 342 I HA -0.299 3.871 4.170 0.000 0.000 0.245 342 I C 2.592 178.704 176.117 -0.009 0.000 1.100 342 I CA 1.468 62.763 61.300 -0.008 0.000 1.374 342 I CB -0.412 37.584 38.000 -0.007 0.000 1.057 342 I HN 0.299 nan 8.210 nan 0.000 0.413 343 Q N 0.849 120.644 119.800 -0.008 0.000 2.167 343 Q HA -0.072 4.269 4.340 0.000 0.000 0.202 343 Q C 2.330 178.324 176.000 -0.009 0.000 0.970 343 Q CA 1.554 57.352 55.803 -0.008 0.000 0.855 343 Q CB -0.601 28.133 28.738 -0.007 0.000 0.911 343 Q HN 0.573 nan 8.270 nan 0.000 0.438 344 G N 0.242 109.037 108.800 -0.009 0.000 2.443 344 G HA2 -0.278 3.682 3.960 0.000 0.000 0.219 344 G HA3 -0.278 3.682 3.960 0.000 0.000 0.219 344 G C 1.569 176.463 174.900 -0.011 0.000 1.131 344 G CA 0.619 45.714 45.100 -0.009 0.000 0.775 344 G HN 0.144 nan 8.290 nan 0.000 0.547 345 R N 0.057 120.550 120.500 -0.012 0.000 2.119 345 R HA 0.130 4.470 4.340 0.000 0.000 0.222 345 R C 2.464 178.754 176.300 -0.015 0.000 1.088 345 R CA 0.865 56.957 56.100 -0.014 0.000 0.984 345 R CB -0.619 29.672 30.300 -0.014 0.000 0.884 345 R HN 0.186 nan 8.270 nan 0.000 0.447 346 V N 0.779 120.685 119.914 -0.013 0.000 2.427 346 V HA -0.131 3.989 4.120 0.000 0.000 0.248 346 V C 2.293 178.379 176.094 -0.014 0.000 1.051 346 V CA 1.739 64.031 62.300 -0.014 0.000 1.048 346 V CB -0.786 31.030 31.823 -0.012 0.000 0.666 346 V HN 0.480 nan 8.190 nan 0.000 0.456 347 A N -0.594 122.218 122.820 -0.013 0.000 1.883 347 A HA -0.312 4.008 4.320 0.000 0.000 0.217 347 A C 2.178 179.754 177.584 -0.013 0.000 1.186 347 A CA 2.081 54.111 52.037 -0.012 0.000 0.624 347 A CB -0.536 18.458 19.000 -0.010 0.000 0.822 347 A HN 0.603 nan 8.150 nan 0.000 0.444 348 Q N -0.531 119.260 119.800 -0.015 0.000 2.077 348 Q HA -0.195 4.145 4.340 0.000 0.000 0.206 348 Q C 2.057 178.046 176.000 -0.019 0.000 0.989 348 Q CA 1.953 57.747 55.803 -0.016 0.000 0.853 348 Q CB -0.405 28.323 28.738 -0.017 0.000 0.907 348 Q HN 0.771 nan 8.270 nan 0.000 0.418 349 I N 0.076 120.633 120.570 -0.021 0.000 2.252 349 I HA -0.254 3.916 4.170 0.000 0.000 0.245 349 I C 2.363 178.466 176.117 -0.024 0.000 1.102 349 I CA 1.016 62.300 61.300 -0.026 0.000 1.385 349 I CB -0.262 37.720 38.000 -0.029 0.000 1.064 349 I HN 0.133 nan 8.210 nan 0.000 0.414 350 R N 0.202 120.691 120.500 -0.020 0.000 2.120 350 R HA -0.150 4.190 4.340 0.000 0.000 0.234 350 R C 2.217 178.508 176.300 -0.015 0.000 1.123 350 R CA 0.870 56.960 56.100 -0.017 0.000 0.975 350 R CB -0.254 30.038 30.300 -0.014 0.000 0.866 350 R HN 0.375 nan 8.270 nan 0.000 0.446 351 Q N 0.690 120.482 119.800 -0.015 0.000 2.311 351 Q HA -0.073 4.267 4.340 0.000 0.000 0.203 351 Q C 1.666 177.658 176.000 -0.014 0.000 0.954 351 Q CA 1.282 57.078 55.803 -0.013 0.000 0.885 351 Q CB 0.305 29.036 28.738 -0.012 0.000 0.963 351 Q HN 0.454 nan 8.270 nan 0.000 0.471 352 Q N -0.587 119.203 119.800 -0.017 0.000 2.269 352 Q HA 0.046 4.386 4.340 0.000 0.000 0.201 352 Q C 2.021 178.009 176.000 -0.020 0.000 0.946 352 Q CA 0.359 56.151 55.803 -0.019 0.000 0.877 352 Q CB 0.261 28.985 28.738 -0.024 0.000 0.963 352 Q HN 0.362 nan 8.270 nan 0.000 0.472 353 I N 0.955 121.512 120.570 -0.021 0.000 2.286 353 I HA -0.251 3.919 4.170 0.000 0.000 0.248 353 I C 2.133 178.241 176.117 -0.014 0.000 1.115 353 I CA 0.909 62.197 61.300 -0.021 0.000 1.392 353 I CB -0.159 37.828 38.000 -0.022 0.000 1.065 353 I HN 0.160 nan 8.210 nan 0.000 0.418 354 E N 1.231 121.424 120.200 -0.012 0.000 2.058 354 E HA -0.258 4.092 4.350 0.000 0.000 0.194 354 E C 1.778 178.374 176.600 -0.006 0.000 0.997 354 E CA 1.770 58.165 56.400 -0.008 0.000 0.801 354 E CB -0.294 29.401 29.700 -0.008 0.000 0.746 354 E HN 0.712 nan 8.360 nan 0.000 0.450 355 E N 0.519 120.715 120.200 -0.007 0.000 2.479 355 E HA 0.318 4.668 4.350 0.000 0.000 0.193 355 E C 0.267 176.866 176.600 -0.003 0.000 1.049 355 E CA -0.056 56.342 56.400 -0.005 0.000 0.870 355 E CB 0.282 29.979 29.700 -0.005 0.000 0.944 355 E HN -0.007 nan 8.360 nan 0.000 0.492 356 A N 1.670 124.487 122.820 -0.004 0.000 2.488 356 A HA 0.142 4.462 4.320 0.000 0.000 0.249 356 A C 1.283 178.872 177.584 0.007 0.000 1.083 356 A CA 0.279 52.316 52.037 -0.000 0.000 0.768 356 A CB 0.365 19.361 19.000 -0.007 0.000 1.017 356 A HN 0.346 nan 8.150 nan 0.000 0.496 357 T N -0.239 114.323 114.554 0.015 0.000 3.035 357 T HA 0.149 4.499 4.350 0.000 0.000 0.259 357 T C 0.945 175.661 174.700 0.026 0.000 1.078 357 T CA 0.777 62.888 62.100 0.018 0.000 1.132 357 T CB -0.396 68.482 68.868 0.017 0.000 0.900 357 T HN 1.097 nan 8.240 nan 0.000 0.480 358 S N 0.348 116.072 115.700 0.040 0.000 2.689 358 S HA 0.415 4.885 4.470 0.000 0.000 0.306 358 S C 0.125 174.762 174.600 0.063 0.000 1.104 358 S CA -0.829 57.406 58.200 0.058 0.000 0.973 358 S CB 1.798 65.049 63.200 0.085 0.000 1.121 358 S HN 0.055 nan 8.310 nan 0.000 0.523 359 D N -0.205 120.239 120.400 0.073 0.000 2.269 359 D HA -0.064 4.576 4.640 0.000 0.000 0.208 359 D C 1.214 177.567 176.300 0.089 0.000 0.963 359 D CA 1.151 55.190 54.000 0.065 0.000 0.864 359 D CB -0.150 40.687 40.800 0.062 0.000 0.936 359 D HN 0.688 nan 8.370 nan 0.000 0.505 360 Y N 2.188 122.489 120.300 0.001 0.000 2.220 360 Y HA -0.139 4.411 4.550 0.000 0.000 0.291 360 Y C 1.680 177.577 175.900 -0.004 0.000 1.129 360 Y CA 1.345 59.446 58.100 0.002 0.000 1.161 360 Y CB 0.032 38.495 38.460 0.005 0.000 0.997 360 Y HN -0.217 nan 8.280 nan 0.000 0.522 361 D N -0.023 120.385 120.400 0.012 0.000 2.178 361 D HA -0.161 4.479 4.640 0.000 0.000 0.201 361 D C 2.165 178.401 176.300 -0.107 0.000 0.980 361 D CA 1.093 55.051 54.000 -0.070 0.000 0.842 361 D CB -0.298 40.511 40.800 0.015 0.000 0.948 361 D HN 0.364 nan 8.370 nan 0.000 0.472 362 R N 0.847 121.306 120.500 -0.068 0.000 2.061 362 R HA -0.130 4.210 4.340 0.000 0.000 0.230 362 R C 2.189 178.437 176.300 -0.086 0.000 1.140 362 R CA 1.649 57.714 56.100 -0.058 0.000 0.940 362 R CB -0.013 30.271 30.300 -0.026 0.000 0.839 362 R HN 0.280 nan 8.270 nan 0.000 0.429 363 E N -0.244 119.893 120.200 -0.105 0.000 2.274 363 E HA -0.142 4.209 4.350 0.000 0.000 0.194 363 E C 1.504 178.009 176.600 -0.157 0.000 0.996 363 E CA 0.635 56.971 56.400 -0.107 0.000 0.840 363 E CB 0.085 29.739 29.700 -0.077 0.000 0.772 363 E HN 0.047 nan 8.360 nan 0.000 0.491 364 K N 0.722 120.964 120.400 -0.264 0.000 2.288 364 K HA 0.053 4.373 4.320 0.000 0.000 0.201 364 K C 1.942 178.443 176.600 -0.164 0.000 1.048 364 K CA 0.569 56.690 56.287 -0.277 0.000 0.956 364 K CB 0.018 32.237 32.500 -0.468 0.000 0.746 364 K HN 0.314 nan 8.250 nan 0.000 0.461 365 L N 0.289 121.433 121.223 -0.131 0.000 2.298 365 L HA -0.034 4.306 4.340 0.000 0.000 0.209 365 L C 2.295 179.127 176.870 -0.064 0.000 1.084 365 L CA 0.368 55.157 54.840 -0.086 0.000 0.816 365 L CB -0.172 41.844 42.059 -0.071 0.000 0.967 365 L HN 0.023 nan 8.230 nan 0.000 0.460 366 Q N 0.413 120.174 119.800 -0.065 0.000 2.124 366 Q HA -0.220 4.120 4.340 0.000 0.000 0.202 366 Q C 1.942 177.919 176.000 -0.040 0.000 0.977 366 Q CA 1.377 57.153 55.803 -0.046 0.000 0.850 366 Q CB -0.098 28.615 28.738 -0.042 0.000 0.901 366 Q HN 0.554 nan 8.270 nan 0.000 0.429 367 E N 0.304 120.474 120.200 -0.049 0.000 2.118 367 E HA -0.179 4.171 4.350 0.000 0.000 0.195 367 E C 2.123 178.707 176.600 -0.026 0.000 0.992 367 E CA 0.781 57.160 56.400 -0.035 0.000 0.804 367 E CB 0.040 29.714 29.700 -0.043 0.000 0.741 367 E HN 0.257 nan 8.360 nan 0.000 0.458 368 R N 0.107 120.585 120.500 -0.037 0.000 2.062 368 R HA -0.099 4.241 4.340 0.000 0.000 0.229 368 R C 2.659 178.946 176.300 -0.021 0.000 1.128 368 R CA 1.371 57.453 56.100 -0.030 0.000 0.960 368 R CB -0.357 29.917 30.300 -0.044 0.000 0.855 368 R HN 0.140 nan 8.270 nan 0.000 0.432 369 V N -1.228 118.672 119.914 -0.024 0.000 2.490 369 V HA -0.138 3.982 4.120 0.000 0.000 0.250 369 V C 2.270 178.357 176.094 -0.011 0.000 1.061 369 V CA 1.754 64.044 62.300 -0.018 0.000 1.064 369 V CB -1.072 30.739 31.823 -0.019 0.000 0.670 369 V HN 0.274 nan 8.190 nan 0.000 0.461 370 A N 0.822 123.636 122.820 -0.011 0.000 1.877 370 A HA -0.196 4.124 4.320 0.000 0.000 0.216 370 A C 2.335 179.919 177.584 0.000 0.000 1.186 370 A CA 2.254 54.287 52.037 -0.007 0.000 0.620 370 A CB -0.594 18.402 19.000 -0.008 0.000 0.822 370 A HN 0.588 nan 8.150 nan 0.000 0.443 371 K N -1.117 119.287 120.400 0.006 0.000 2.026 371 K HA -0.102 4.218 4.320 0.000 0.000 0.208 371 K C 1.913 178.523 176.600 0.017 0.000 1.048 371 K CA 1.501 57.800 56.287 0.019 0.000 0.929 371 K CB -0.288 32.233 32.500 0.035 0.000 0.713 371 K HN 0.362 nan 8.250 nan 0.000 0.439 372 L N 0.068 121.296 121.223 0.008 0.000 2.102 372 L HA 0.039 4.379 4.340 0.000 0.000 0.202 372 L C 1.975 178.846 176.870 0.001 0.000 1.076 372 L CA 1.507 56.350 54.840 0.005 0.000 0.761 372 L CB -0.327 41.730 42.059 -0.003 0.000 0.921 372 L HN 0.100 nan 8.230 nan 0.000 0.444 373 A N -1.372 121.446 122.820 -0.002 0.000 2.132 373 A HA 0.223 4.543 4.320 0.000 0.000 0.213 373 A C 2.132 179.714 177.584 -0.003 0.000 1.154 373 A CA 0.735 52.770 52.037 -0.004 0.000 0.753 373 A CB -0.894 18.102 19.000 -0.007 0.000 0.826 373 A HN 0.453 nan 8.150 nan 0.000 0.469 374 G N -0.679 108.120 108.800 -0.002 0.000 2.464 374 G HA2 0.371 4.331 3.960 0.000 0.000 0.217 374 G HA3 0.371 4.331 3.960 0.000 0.000 0.217 374 G C 1.150 176.049 174.900 -0.001 0.000 1.138 374 G CA 0.665 45.763 45.100 -0.002 0.000 0.793 374 G HN 1.511 nan 8.290 nan 0.000 0.539 375 G N -1.295 107.506 108.800 0.001 0.000 2.641 375 G HA2 -0.068 3.892 3.960 0.000 0.000 0.254 375 G HA3 -0.068 3.892 3.960 0.000 0.000 0.254 375 G C -0.526 174.373 174.900 -0.001 0.000 1.315 375 G CA -0.053 45.047 45.100 0.001 0.000 0.907 375 G HN 1.058 nan 8.290 nan 0.000 0.572 376 V N 0.231 120.143 119.914 -0.003 0.000 2.623 376 V HA 0.711 4.831 4.120 0.000 0.000 0.304 376 V C 0.683 176.773 176.094 -0.007 0.000 1.054 376 V CA -0.108 62.188 62.300 -0.007 0.000 0.882 376 V CB 1.372 33.190 31.823 -0.008 0.000 1.002 376 V HN 2.080 nan 8.190 nan 0.000 0.424 377 A N 4.420 127.235 122.820 -0.008 0.000 2.366 377 A HA 0.718 5.038 4.320 0.000 0.000 0.272 377 A C -0.409 177.171 177.584 -0.006 0.000 1.135 377 A CA -0.237 51.796 52.037 -0.006 0.000 0.804 377 A CB 0.624 19.620 19.000 -0.006 0.000 1.064 377 A HN 0.783 nan 8.150 nan 0.000 0.499 378 V N 4.462 124.374 119.914 -0.004 0.000 2.409 378 V HA 0.320 4.440 4.120 0.000 0.000 0.291 378 V C -0.204 175.890 176.094 -0.001 0.000 1.020 378 V CA -0.163 62.135 62.300 -0.003 0.000 0.848 378 V CB 1.286 33.106 31.823 -0.004 0.000 0.990 378 V HN 0.730 nan 8.190 nan 0.000 0.430 379 I N 5.118 125.689 120.570 0.001 0.000 2.307 379 I HA 0.373 4.543 4.170 0.000 0.000 0.289 379 I C 0.261 176.380 176.117 0.003 0.000 1.021 379 I CA -0.357 60.945 61.300 0.003 0.000 1.224 379 I CB 0.944 38.947 38.000 0.005 0.000 1.376 379 I HN 0.467 nan 8.210 nan 0.000 0.470 380 K N 5.951 126.352 120.400 0.002 0.000 2.253 380 K HA 0.436 4.756 4.320 0.000 0.000 0.277 380 K C -0.781 175.820 176.600 0.002 0.000 1.053 380 K CA -0.585 55.703 56.287 0.002 0.000 0.892 380 K CB 1.883 34.384 32.500 0.000 0.000 1.102 380 K HN 0.326 nan 8.250 nan 0.000 0.469 381 V N 2.718 122.634 119.914 0.003 0.000 2.461 381 V HA 0.263 4.383 4.120 0.000 0.000 0.275 381 V C 0.768 176.863 176.094 0.002 0.000 1.047 381 V CA -0.581 61.721 62.300 0.003 0.000 0.955 381 V CB 1.212 33.038 31.823 0.003 0.000 0.988 381 V HN 0.889 nan 8.190 nan 0.000 0.471 382 G N 3.013 111.814 108.800 0.001 0.000 2.417 382 G HA2 0.829 4.789 3.960 0.000 0.000 0.334 382 G HA3 0.829 4.789 3.960 0.000 0.000 0.334 382 G C -0.586 174.314 174.900 0.000 0.000 1.150 382 G CA 0.039 45.140 45.100 0.001 0.000 0.923 382 G HN 1.203 nan 8.290 nan 0.000 0.485 383 A N -0.320 122.500 122.820 0.000 0.000 2.564 383 A HA 0.791 5.111 4.320 0.000 0.000 0.291 383 A C 0.836 178.419 177.584 -0.000 0.000 1.102 383 A CA 0.375 52.412 52.037 -0.000 0.000 0.660 383 A CB 0.540 19.540 19.000 -0.001 0.000 1.283 383 A HN 1.794 nan 8.150 nan 0.000 0.430 384 A N -0.278 122.542 122.820 -0.001 0.000 1.897 384 A HA 0.371 4.691 4.320 0.000 0.000 0.215 384 A C 1.322 178.905 177.584 -0.000 0.000 1.181 384 A CA 2.425 54.462 52.037 -0.001 0.000 0.620 384 A CB -0.746 18.253 19.000 -0.001 0.000 0.821 384 A HN 1.979 nan 8.150 nan 0.000 0.443 385 T N -4.262 110.291 114.554 -0.000 0.000 2.930 385 T HA 0.487 4.837 4.350 0.000 0.000 0.290 385 T C 0.534 175.234 174.700 0.001 0.000 1.052 385 T CA 0.004 62.105 62.100 0.000 0.000 1.017 385 T CB 1.953 70.821 68.868 -0.000 0.000 1.137 385 T HN 0.281 nan 8.240 nan 0.000 0.511 386 E N -0.002 120.198 120.200 0.001 0.000 2.077 386 E HA -0.160 4.190 4.350 0.000 0.000 0.193 386 E C 2.115 178.716 176.600 0.001 0.000 0.989 386 E CA 1.669 58.070 56.400 0.002 0.000 0.800 386 E CB -0.246 29.456 29.700 0.003 0.000 0.746 386 E HN 0.612 nan 8.360 nan 0.000 0.452 387 V N -0.754 119.161 119.914 0.001 0.000 2.332 387 V HA -0.241 3.879 4.120 0.000 0.000 0.248 387 V C 1.918 178.011 176.094 -0.001 0.000 1.055 387 V CA 2.123 64.423 62.300 0.000 0.000 1.038 387 V CB -0.824 30.999 31.823 -0.000 0.000 0.651 387 V HN 0.165 nan 8.190 nan 0.000 0.450 388 E N -0.249 119.950 120.200 -0.001 0.000 2.106 388 E HA -0.151 4.199 4.350 0.000 0.000 0.192 388 E C 2.187 178.786 176.600 -0.001 0.000 0.984 388 E CA 1.498 57.897 56.400 -0.002 0.000 0.806 388 E CB -0.256 29.443 29.700 -0.002 0.000 0.750 388 E HN 0.538 nan 8.360 nan 0.000 0.458 389 M N 1.094 120.694 119.600 -0.000 0.000 2.086 389 M HA -0.166 4.314 4.480 0.000 0.000 0.261 389 M C 1.667 177.967 176.300 0.000 0.000 1.067 389 M CA 1.561 56.861 55.300 0.000 0.000 1.116 389 M CB -0.129 32.471 32.600 0.001 0.000 1.348 389 M HN -0.111 nan 8.290 nan 0.000 0.407 390 K N 0.184 120.584 120.400 0.000 0.000 2.057 390 K HA -0.153 4.167 4.320 0.000 0.000 0.207 390 K C 1.958 178.556 176.600 -0.002 0.000 1.049 390 K CA 1.091 57.378 56.287 -0.000 0.000 0.931 390 K CB -0.671 31.830 32.500 0.001 0.000 0.714 390 K HN 0.427 nan 8.250 nan 0.000 0.440 391 E N 1.515 121.713 120.200 -0.003 0.000 2.051 391 E HA -0.182 4.168 4.350 0.000 0.000 0.192 391 E C 2.024 178.621 176.600 -0.005 0.000 0.991 391 E CA 1.241 57.638 56.400 -0.005 0.000 0.799 391 E CB 0.078 29.774 29.700 -0.005 0.000 0.748 391 E HN 0.203 nan 8.360 nan 0.000 0.449 392 K N 0.869 121.267 120.400 -0.003 0.000 2.002 392 K HA -0.181 4.139 4.320 0.000 0.000 0.209 392 K C 2.342 178.941 176.600 -0.001 0.000 1.048 392 K CA 1.596 57.881 56.287 -0.002 0.000 0.930 392 K CB -0.156 32.343 32.500 -0.001 0.000 0.714 392 K HN -0.077 nan 8.250 nan 0.000 0.438 393 K N 0.232 120.632 120.400 0.000 0.000 2.089 393 K HA -0.207 4.113 4.320 0.000 0.000 0.210 393 K C 1.924 178.524 176.600 0.000 0.000 1.048 393 K CA 1.575 57.863 56.287 0.002 0.000 0.926 393 K CB -0.229 32.273 32.500 0.003 0.000 0.714 393 K HN 0.237 nan 8.250 nan 0.000 0.448 394 A N 1.288 124.105 122.820 -0.005 0.000 1.902 394 A HA -0.145 4.175 4.320 0.000 0.000 0.217 394 A C 2.115 179.690 177.584 -0.015 0.000 1.181 394 A CA 1.418 53.448 52.037 -0.013 0.000 0.623 394 A CB -0.428 18.562 19.000 -0.016 0.000 0.818 394 A HN 0.351 nan 8.150 nan 0.000 0.443 395 R N -0.811 119.683 120.500 -0.009 0.000 2.092 395 R HA -0.048 4.292 4.340 0.000 0.000 0.231 395 R C 2.048 178.349 176.300 0.001 0.000 1.119 395 R CA 1.310 57.406 56.100 -0.007 0.000 0.970 395 R CB -0.450 29.846 30.300 -0.006 0.000 0.864 395 R HN 0.395 nan 8.270 nan 0.000 0.440 396 V N 1.232 121.150 119.914 0.006 0.000 2.295 396 V HA -0.244 3.876 4.120 0.000 0.000 0.246 396 V C 2.007 178.119 176.094 0.030 0.000 1.049 396 V CA 1.819 64.128 62.300 0.015 0.000 1.024 396 V CB -0.391 31.440 31.823 0.013 0.000 0.648 396 V HN 0.353 nan 8.190 nan 0.000 0.447 397 E N -0.274 119.942 120.200 0.026 0.000 2.077 397 E HA -0.262 4.088 4.350 0.000 0.000 0.193 397 E C 1.956 178.587 176.600 0.051 0.000 0.989 397 E CA 1.626 58.056 56.400 0.050 0.000 0.800 397 E CB -0.156 29.554 29.700 0.016 0.000 0.746 397 E HN 0.600 nan 8.360 nan 0.000 0.452 398 D N -0.186 120.207 120.400 -0.012 0.000 2.144 398 D HA -0.071 4.569 4.640 0.000 0.000 0.200 398 D C 1.730 178.051 176.300 0.035 0.000 0.978 398 D CA 1.168 55.147 54.000 -0.034 0.000 0.833 398 D CB -0.004 40.769 40.800 -0.047 0.000 0.961 398 D HN 0.166 nan 8.370 nan 0.000 0.470 399 A N -0.075 122.767 122.820 0.037 0.000 2.014 399 A HA -0.055 4.265 4.320 0.000 0.000 0.218 399 A C 1.998 179.618 177.584 0.060 0.000 1.163 399 A CA 0.654 52.715 52.037 0.040 0.000 0.652 399 A CB -0.511 18.503 19.000 0.023 0.000 0.808 399 A HN 0.274 nan 8.150 nan 0.000 0.449 400 L N -0.815 120.459 121.223 0.084 0.000 2.056 400 L HA -0.133 4.207 4.340 0.000 0.000 0.207 400 L C 2.334 179.253 176.870 0.082 0.000 1.078 400 L CA 1.952 56.838 54.840 0.076 0.000 0.749 400 L CB -0.655 41.450 42.059 0.078 0.000 0.901 400 L HN 0.527 nan 8.230 nan 0.000 0.433 401 H N -0.964 118.105 119.070 -0.003 0.000 2.321 401 H HA -0.102 4.454 4.556 0.000 0.000 0.300 401 H C 2.065 177.393 175.328 0.001 0.000 1.087 401 H CA 1.296 57.343 56.048 -0.002 0.000 1.319 401 H CB 0.049 29.810 29.762 -0.002 0.000 1.379 401 H HN 0.522 nan 8.280 nan 0.000 0.501 402 A N 0.457 123.357 122.820 0.133 0.000 1.933 402 A HA -0.143 4.177 4.320 0.000 0.000 0.218 402 A C 2.539 180.147 177.584 0.041 0.000 1.175 402 A CA 1.944 54.023 52.037 0.070 0.000 0.628 402 A CB -0.708 18.322 19.000 0.050 0.000 0.814 402 A HN 0.349 nan 8.150 nan 0.000 0.444 403 T N -0.587 113.987 114.554 0.034 0.000 2.770 403 T HA -0.098 4.252 4.350 0.000 0.000 0.263 403 T C 2.079 176.783 174.700 0.005 0.000 1.039 403 T CA 1.528 63.638 62.100 0.017 0.000 1.142 403 T CB -0.241 68.635 68.868 0.013 0.000 0.868 403 T HN 0.555 nan 8.240 nan 0.000 0.435 404 R N 2.170 122.666 120.500 -0.006 0.000 2.096 404 R HA -0.053 4.287 4.340 0.000 0.000 0.240 404 R C 2.293 178.584 176.300 -0.015 0.000 1.139 404 R CA 2.046 58.130 56.100 -0.026 0.000 0.952 404 R CB -0.982 29.277 30.300 -0.068 0.000 0.854 404 R HN 0.340 nan 8.270 nan 0.000 0.436 405 A N -0.075 122.744 122.820 -0.003 0.000 1.969 405 A HA 0.085 4.405 4.320 0.000 0.000 0.218 405 A C 2.348 179.940 177.584 0.013 0.000 1.169 405 A CA 1.488 53.531 52.037 0.010 0.000 0.635 405 A CB -0.841 18.175 19.000 0.027 0.000 0.810 405 A HN 0.535 nan 8.150 nan 0.000 0.445 406 A N -0.751 122.077 122.820 0.013 0.000 1.968 406 A HA 0.103 4.423 4.320 0.000 0.000 0.217 406 A C 2.107 179.695 177.584 0.008 0.000 1.169 406 A CA 1.480 53.524 52.037 0.012 0.000 0.638 406 A CB -0.598 18.409 19.000 0.012 0.000 0.812 406 A HN 0.326 nan 8.150 nan 0.000 0.446 407 V N 1.099 121.015 119.914 0.004 0.000 2.667 407 V HA -0.195 3.925 4.120 0.000 0.000 0.252 407 V C 2.404 178.499 176.094 0.002 0.000 1.065 407 V CA 2.040 64.341 62.300 0.002 0.000 1.083 407 V CB -0.641 31.181 31.823 -0.002 0.000 0.692 407 V HN 0.886 nan 8.190 nan 0.000 0.468 408 E N -0.524 119.677 120.200 0.002 0.000 2.400 408 E HA -0.020 4.330 4.350 0.000 0.000 0.195 408 E C 1.240 177.843 176.600 0.006 0.000 1.012 408 E CA 0.588 56.989 56.400 0.003 0.000 0.875 408 E CB 0.140 29.841 29.700 0.001 0.000 0.859 408 E HN 0.630 nan 8.360 nan 0.000 0.498 409 E N 0.363 120.568 120.200 0.008 0.000 2.665 409 E HA 0.217 4.567 4.350 0.000 0.000 0.225 409 E C 0.385 176.991 176.600 0.011 0.000 0.922 409 E CA 0.161 56.567 56.400 0.010 0.000 1.242 409 E CB 1.633 31.340 29.700 0.012 0.000 1.197 409 E HN 0.275 nan 8.360 nan 0.000 0.581 410 G N 1.352 110.158 108.800 0.010 0.000 2.660 410 G HA2 -0.198 3.762 3.960 0.000 0.000 0.247 410 G HA3 -0.198 3.762 3.960 0.000 0.000 0.247 410 G C -0.491 174.417 174.900 0.013 0.000 1.328 410 G CA -0.473 44.633 45.100 0.011 0.000 0.884 410 G HN 0.432 nan 8.290 nan 0.000 0.531 411 V N -2.469 117.453 119.914 0.013 0.000 2.656 411 V HA 0.916 5.036 4.120 0.000 0.000 0.307 411 V C 0.651 176.755 176.094 0.016 0.000 1.051 411 V CA -0.080 62.228 62.300 0.014 0.000 0.893 411 V CB 1.011 32.840 31.823 0.011 0.000 0.999 411 V HN 2.228 nan 8.190 nan 0.000 0.426 412 V N 1.079 121.003 119.914 0.018 0.000 3.096 412 V HA 1.016 5.136 4.120 0.000 0.000 0.319 412 V C 0.757 176.863 176.094 0.020 0.000 1.103 412 V CA -0.514 61.799 62.300 0.021 0.000 1.016 412 V CB 1.353 33.190 31.823 0.023 0.000 1.090 412 V HN 1.736 nan 8.190 nan 0.000 0.449 413 A N 0.779 123.614 122.820 0.024 0.000 2.462 413 A HA 0.656 4.976 4.320 0.000 0.000 0.243 413 A C 0.833 178.429 177.584 0.020 0.000 1.076 413 A CA 0.491 52.540 52.037 0.021 0.000 0.773 413 A CB -0.331 18.688 19.000 0.032 0.000 1.010 413 A HN 1.757 nan 8.150 nan 0.000 0.493 414 G N 0.128 108.934 108.800 0.010 0.000 2.531 414 G HA2 0.495 4.455 3.960 0.000 0.000 0.253 414 G HA3 0.495 4.455 3.960 0.000 0.000 0.253 414 G C 1.214 176.126 174.900 0.019 0.000 1.439 414 G CA -0.030 45.077 45.100 0.011 0.000 1.056 414 G HN 2.208 nan 8.290 nan 0.000 0.555 415 G N -2.050 106.761 108.800 0.019 0.000 2.216 415 G HA2 0.162 4.122 3.960 0.000 0.000 0.269 415 G HA3 0.162 4.122 3.960 0.000 0.000 0.269 415 G C 1.551 176.477 174.900 0.044 0.000 0.981 415 G CA 1.513 46.633 45.100 0.035 0.000 0.658 415 G HN 2.515 nan 8.290 nan 0.000 0.539 416 G N -2.365 106.457 108.800 0.037 0.000 2.157 416 G HA2 -0.064 3.896 3.960 0.000 0.000 0.239 416 G HA3 -0.064 3.896 3.960 0.000 0.000 0.239 416 G C 1.721 176.647 174.900 0.044 0.000 0.982 416 G CA 1.695 46.817 45.100 0.037 0.000 0.650 416 G HN 2.143 nan 8.290 nan 0.000 0.527 417 V N -1.926 118.021 119.914 0.054 0.000 2.667 417 V HA 0.376 4.496 4.120 0.000 0.000 0.252 417 V C 2.793 178.922 176.094 0.058 0.000 1.065 417 V CA 1.981 64.322 62.300 0.067 0.000 1.083 417 V CB -0.813 31.064 31.823 0.090 0.000 0.692 417 V HN 1.399 nan 8.190 nan 0.000 0.468 418 A N 0.772 123.619 122.820 0.047 0.000 1.902 418 A HA -0.052 4.268 4.320 0.000 0.000 0.217 418 A C 2.229 179.835 177.584 0.035 0.000 1.181 418 A CA 2.201 54.262 52.037 0.040 0.000 0.623 418 A CB -0.657 18.363 19.000 0.033 0.000 0.818 418 A HN 0.577 nan 8.150 nan 0.000 0.443 419 L N -0.735 120.508 121.223 0.033 0.000 2.093 419 L HA -0.106 4.234 4.340 0.000 0.000 0.208 419 L C 2.423 179.310 176.870 0.028 0.000 1.085 419 L CA 0.979 55.835 54.840 0.028 0.000 0.755 419 L CB -0.310 41.765 42.059 0.025 0.000 0.904 419 L HN 0.380 nan 8.230 nan 0.000 0.435 420 I N -0.793 119.797 120.570 0.033 0.000 2.252 420 I HA -0.265 3.905 4.170 0.000 0.000 0.245 420 I C 2.741 178.879 176.117 0.035 0.000 1.102 420 I CA 0.757 62.077 61.300 0.032 0.000 1.385 420 I CB -0.167 37.855 38.000 0.037 0.000 1.064 420 I HN 0.195 nan 8.210 nan 0.000 0.414 421 R N 0.925 121.451 120.500 0.043 0.000 2.091 421 R HA -0.134 4.206 4.340 0.000 0.000 0.238 421 R C 2.090 178.409 176.300 0.032 0.000 1.136 421 R CA 1.635 57.762 56.100 0.044 0.000 0.959 421 R CB -0.858 29.474 30.300 0.054 0.000 0.856 421 R HN 0.140 nan 8.270 nan 0.000 0.437 422 V N 0.356 120.287 119.914 0.028 0.000 2.427 422 V HA -0.127 3.993 4.120 0.000 0.000 0.248 422 V C 2.181 178.285 176.094 0.017 0.000 1.051 422 V CA 1.813 64.126 62.300 0.021 0.000 1.048 422 V CB -0.483 31.352 31.823 0.020 0.000 0.666 422 V HN 0.555 nan 8.190 nan 0.000 0.456 423 A N 0.237 123.068 122.820 0.018 0.000 1.969 423 A HA -0.158 4.162 4.320 0.000 0.000 0.218 423 A C 2.479 180.070 177.584 0.013 0.000 1.169 423 A CA 1.921 53.967 52.037 0.014 0.000 0.635 423 A CB -0.586 18.422 19.000 0.014 0.000 0.810 423 A HN 0.682 nan 8.150 nan 0.000 0.445 424 S N -0.690 115.019 115.700 0.015 0.000 2.453 424 S HA -0.021 4.450 4.470 0.000 0.000 0.231 424 S C 1.488 176.094 174.600 0.010 0.000 1.005 424 S CA 0.876 59.083 58.200 0.013 0.000 0.949 424 S CB -0.129 63.080 63.200 0.015 0.000 0.774 424 S HN 0.373 nan 8.310 nan 0.000 0.510 425 K N 1.003 121.410 120.400 0.012 0.000 2.525 425 K HA 0.284 4.604 4.320 0.000 0.000 0.192 425 K C 0.707 177.311 176.600 0.007 0.000 1.029 425 K CA 0.294 56.587 56.287 0.009 0.000 1.029 425 K CB -0.209 32.298 32.500 0.011 0.000 0.814 425 K HN 0.499 nan 8.250 nan 0.000 0.503 426 L N -0.523 120.705 121.223 0.007 0.000 3.122 426 L HA 0.244 4.584 4.340 0.000 0.000 0.274 426 L C 1.567 178.439 176.870 0.004 0.000 1.222 426 L CA -0.159 54.684 54.840 0.005 0.000 1.028 426 L CB 0.330 42.392 42.059 0.005 0.000 1.386 426 L HN -0.121 nan 8.230 nan 0.000 0.578 427 A N -0.075 122.747 122.820 0.004 0.000 2.076 427 A HA -0.200 4.120 4.320 0.000 0.000 0.220 427 A C 1.595 179.180 177.584 0.002 0.000 1.160 427 A CA 1.878 53.917 52.037 0.003 0.000 0.653 427 A CB -0.197 18.804 19.000 0.002 0.000 0.801 427 A HN 0.332 nan 8.150 nan 0.000 0.455 428 D N -1.528 118.873 120.400 0.002 0.000 2.367 428 D HA 0.155 4.795 4.640 0.000 0.000 0.207 428 D C 0.372 176.673 176.300 0.001 0.000 1.034 428 D CA -0.238 53.763 54.000 0.001 0.000 0.861 428 D CB -0.115 40.685 40.800 0.001 0.000 0.943 428 D HN 0.342 nan 8.370 nan 0.000 0.515 429 L N 1.818 123.042 121.223 0.001 0.000 2.540 429 L HA 0.071 4.411 4.340 0.000 0.000 0.276 429 L C 0.094 176.965 176.870 0.001 0.000 1.212 429 L CA 0.682 55.522 54.840 0.001 0.000 0.893 429 L CB 0.144 42.204 42.059 0.002 0.000 1.138 429 L HN -0.175 nan 8.230 nan 0.000 0.491 430 R N 3.351 123.851 120.500 0.001 0.000 2.867 430 R HA 0.732 5.072 4.340 0.000 0.000 0.268 430 R C -0.201 176.100 176.300 0.001 0.000 1.014 430 R CA -0.354 55.747 56.100 0.001 0.000 0.946 430 R CB 1.467 31.767 30.300 0.001 0.000 1.208 430 R HN 0.798 nan 8.270 nan 0.000 0.477 431 G N -0.386 108.414 108.800 0.001 0.000 3.107 431 G HA2 0.231 4.191 3.960 0.000 0.000 0.232 431 G HA3 0.231 4.191 3.960 0.000 0.000 0.232 431 G C 0.088 174.988 174.900 0.001 0.000 1.339 431 G CA -0.284 44.816 45.100 0.001 0.000 1.033 431 G HN 0.411 nan 8.290 nan 0.000 0.567 432 Q N -0.769 119.031 119.800 0.001 0.000 2.172 432 Q HA 0.048 4.388 4.340 0.000 0.000 0.200 432 Q C 0.427 176.428 176.000 0.001 0.000 0.964 432 Q CA 1.405 57.208 55.803 0.001 0.000 0.855 432 Q CB 0.004 28.743 28.738 0.001 0.000 0.918 432 Q HN 0.642 nan 8.270 nan 0.000 0.444 433 N N -2.549 116.152 118.700 0.001 0.000 2.934 433 N HA 0.068 4.808 4.740 0.000 0.000 0.253 433 N C -0.283 175.228 175.510 0.001 0.000 1.466 433 N CA -0.505 52.545 53.050 0.001 0.000 0.858 433 N CB 0.667 39.155 38.487 0.001 0.000 1.459 433 N HN -0.323 nan 8.380 nan 0.000 0.532 434 E N -0.343 119.857 120.200 0.001 0.000 2.160 434 E HA -0.155 4.195 4.350 0.000 0.000 0.195 434 E C 0.415 177.016 176.600 0.002 0.000 0.991 434 E CA 1.585 57.986 56.400 0.001 0.000 0.810 434 E CB -0.274 29.427 29.700 0.001 0.000 0.742 434 E HN 0.615 nan 8.360 nan 0.000 0.466 435 D N -0.243 120.159 120.400 0.002 0.000 2.117 435 D HA -0.139 4.501 4.640 0.000 0.000 0.197 435 D C 1.870 178.171 176.300 0.003 0.000 0.987 435 D CA 0.929 54.931 54.000 0.003 0.000 0.829 435 D CB -0.176 40.626 40.800 0.003 0.000 0.961 435 D HN 0.319 nan 8.370 nan 0.000 0.460 436 Q N 0.062 119.863 119.800 0.003 0.000 2.084 436 Q HA -0.117 4.223 4.340 0.000 0.000 0.202 436 Q C 1.836 177.838 176.000 0.002 0.000 0.978 436 Q CA 0.824 56.628 55.803 0.002 0.000 0.844 436 Q CB -0.044 28.695 28.738 0.002 0.000 0.898 436 Q HN 0.236 nan 8.270 nan 0.000 0.426 437 N N 0.207 118.908 118.700 0.002 0.000 2.061 437 N HA -0.151 4.589 4.740 0.000 0.000 0.193 437 N C 1.849 177.360 175.510 0.002 0.000 1.030 437 N CA 1.201 54.252 53.050 0.002 0.000 0.856 437 N CB -0.574 37.914 38.487 0.001 0.000 1.023 437 N HN 0.042 nan 8.380 nan 0.000 0.424 438 V N 0.764 120.680 119.914 0.002 0.000 2.392 438 V HA -0.184 3.936 4.120 0.000 0.000 0.249 438 V C 2.385 178.482 176.094 0.004 0.000 1.059 438 V CA 2.025 64.327 62.300 0.003 0.000 1.051 438 V CB -1.291 30.534 31.823 0.003 0.000 0.658 438 V HN 0.396 nan 8.190 nan 0.000 0.455 439 G N -0.302 108.500 108.800 0.004 0.000 2.422 439 G HA2 -0.212 3.748 3.960 0.000 0.000 0.218 439 G HA3 -0.212 3.748 3.960 0.000 0.000 0.218 439 G C 1.568 176.470 174.900 0.004 0.000 1.146 439 G CA 0.999 46.102 45.100 0.004 0.000 0.769 439 G HN 0.497 nan 8.290 nan 0.000 0.547 440 I N 0.247 120.819 120.570 0.003 0.000 2.163 440 I HA -0.109 4.061 4.170 0.000 0.000 0.240 440 I C 2.663 178.782 176.117 0.004 0.000 1.081 440 I CA 0.971 62.273 61.300 0.003 0.000 1.353 440 I CB -0.064 37.937 38.000 0.002 0.000 1.054 440 I HN -0.029 nan 8.210 nan 0.000 0.407 441 K N 0.525 120.928 120.400 0.003 0.000 2.147 441 K HA -0.083 4.238 4.320 0.000 0.000 0.205 441 K C 2.125 178.727 176.600 0.004 0.000 1.049 441 K CA 0.955 57.245 56.287 0.004 0.000 0.936 441 K CB -0.684 31.818 32.500 0.003 0.000 0.722 441 K HN 0.207 nan 8.250 nan 0.000 0.446 442 V N 1.620 121.537 119.914 0.005 0.000 2.287 442 V HA -0.280 3.840 4.120 0.000 0.000 0.248 442 V C 2.462 178.560 176.094 0.007 0.000 1.053 442 V CA 2.165 64.469 62.300 0.006 0.000 1.027 442 V CB -0.725 31.102 31.823 0.006 0.000 0.646 442 V HN 0.324 nan 8.190 nan 0.000 0.447 443 A N -0.565 122.259 122.820 0.007 0.000 1.898 443 A HA -0.096 4.224 4.320 0.000 0.000 0.216 443 A C 2.173 179.762 177.584 0.008 0.000 1.181 443 A CA 1.545 53.587 52.037 0.007 0.000 0.620 443 A CB -0.502 18.501 19.000 0.006 0.000 0.819 443 A HN 0.500 nan 8.150 nan 0.000 0.442 444 L N -1.045 120.182 121.223 0.007 0.000 2.079 444 L HA -0.207 4.133 4.340 0.000 0.000 0.210 444 L C 2.819 179.694 176.870 0.008 0.000 1.081 444 L CA 1.591 56.436 54.840 0.007 0.000 0.752 444 L CB -0.495 41.568 42.059 0.006 0.000 0.896 444 L HN 0.357 nan 8.230 nan 0.000 0.433 445 R N -0.203 120.301 120.500 0.007 0.000 2.119 445 R HA -0.014 4.326 4.340 0.000 0.000 0.222 445 R C 2.452 178.757 176.300 0.008 0.000 1.088 445 R CA 0.968 57.072 56.100 0.006 0.000 0.984 445 R CB -0.350 29.953 30.300 0.005 0.000 0.884 445 R HN 0.313 nan 8.270 nan 0.000 0.447 446 A N 1.117 123.942 122.820 0.009 0.000 1.972 446 A HA -0.138 4.182 4.320 0.000 0.000 0.219 446 A C 2.042 179.633 177.584 0.012 0.000 1.169 446 A CA 1.190 53.234 52.037 0.011 0.000 0.635 446 A CB -0.398 18.609 19.000 0.012 0.000 0.810 446 A HN 0.193 nan 8.150 nan 0.000 0.446 447 M N -0.522 119.086 119.600 0.013 0.000 2.539 447 M HA -0.121 4.359 4.480 0.000 0.000 0.261 447 M C 1.312 177.621 176.300 0.015 0.000 1.069 447 M CA 1.038 56.347 55.300 0.015 0.000 1.081 447 M CB -0.254 32.355 32.600 0.015 0.000 1.412 447 M HN 0.458 nan 8.290 nan 0.000 0.482 448 E N 0.045 120.253 120.200 0.012 0.000 2.478 448 E HA 0.050 4.400 4.350 0.000 0.000 0.194 448 E C 1.992 178.597 176.600 0.008 0.000 1.045 448 E CA 0.291 56.697 56.400 0.010 0.000 0.868 448 E CB 0.139 29.843 29.700 0.006 0.000 0.885 448 E HN 0.483 nan 8.360 nan 0.000 0.505 449 A N 2.455 125.280 122.820 0.009 0.000 1.845 449 A HA -0.119 4.201 4.320 0.000 0.000 0.215 449 A C -0.292 177.298 177.584 0.009 0.000 1.195 449 A CA 1.186 53.228 52.037 0.008 0.000 0.616 449 A CB -1.461 17.545 19.000 0.010 0.000 0.832 449 A HN 0.113 nan 8.150 nan 0.000 0.443 450 P HA -0.121 nan 4.420 nan 0.000 0.218 450 P C 1.654 178.964 177.300 0.015 0.000 1.148 450 P CA 0.849 63.958 63.100 0.016 0.000 0.822 450 P CB -0.038 31.674 31.700 0.020 0.000 0.784 451 L N -0.907 120.325 121.223 0.014 0.000 2.068 451 L HA -0.033 4.307 4.340 0.000 0.000 0.204 451 L C 2.486 179.353 176.870 -0.005 0.000 1.076 451 L CA 1.437 56.285 54.840 0.012 0.000 0.753 451 L CB -0.293 41.775 42.059 0.015 0.000 0.910 451 L HN -0.270 nan 8.230 nan 0.000 0.439 452 R N -0.726 119.767 120.500 -0.011 0.000 2.139 452 R HA -0.245 4.095 4.340 0.000 0.000 0.243 452 R C 2.274 178.565 176.300 -0.014 0.000 1.145 452 R CA 1.730 57.817 56.100 -0.020 0.000 0.976 452 R CB -0.277 30.014 30.300 -0.014 0.000 0.866 452 R HN 0.400 nan 8.270 nan 0.000 0.449 453 Q N 0.891 120.689 119.800 -0.003 0.000 2.083 453 Q HA -0.044 4.296 4.340 0.000 0.000 0.198 453 Q C 1.817 177.820 176.000 0.005 0.000 0.969 453 Q CA 1.381 57.185 55.803 0.001 0.000 0.838 453 Q CB -0.051 28.690 28.738 0.005 0.000 0.900 453 Q HN 0.316 nan 8.270 nan 0.000 0.436 454 I N -0.587 119.990 120.570 0.011 0.000 2.163 454 I HA -0.283 3.887 4.170 0.000 0.000 0.243 454 I C 2.019 178.151 176.117 0.024 0.000 1.085 454 I CA 1.098 62.411 61.300 0.023 0.000 1.347 454 I CB -0.356 37.666 38.000 0.037 0.000 1.044 454 I HN 0.055 nan 8.210 nan 0.000 0.408 455 V N 0.577 120.492 119.914 0.001 0.000 2.407 455 V HA -0.270 3.850 4.120 0.000 0.000 0.248 455 V C 2.360 178.445 176.094 -0.014 0.000 1.055 455 V CA 1.615 63.898 62.300 -0.027 0.000 1.049 455 V CB -0.557 31.196 31.823 -0.116 0.000 0.662 455 V HN 0.352 nan 8.190 nan 0.000 0.455 456 L N 0.687 121.903 121.223 -0.012 0.000 2.027 456 L HA -0.134 4.206 4.340 0.000 0.000 0.206 456 L C 2.247 179.119 176.870 0.004 0.000 1.074 456 L CA 1.951 56.788 54.840 -0.005 0.000 0.745 456 L CB -0.725 41.331 42.059 -0.006 0.000 0.898 456 L HN 0.298 nan 8.230 nan 0.000 0.433 457 N N -1.081 117.624 118.700 0.008 0.000 2.205 457 N HA -0.184 4.556 4.740 0.000 0.000 0.186 457 N C 1.676 177.197 175.510 0.018 0.000 1.015 457 N CA 1.658 54.715 53.050 0.012 0.000 0.862 457 N CB -0.833 37.661 38.487 0.012 0.000 0.986 457 N HN 0.402 nan 8.380 nan 0.000 0.429 458 C N -0.272 119.045 119.300 0.029 0.000 2.539 458 C HA 0.272 4.732 4.460 0.000 0.000 0.271 458 C C 1.517 176.530 174.990 0.037 0.000 1.412 458 C CA 0.201 59.245 59.018 0.043 0.000 1.729 458 C CB -1.452 26.338 27.740 0.083 0.000 1.739 458 C HN 0.633 nan 8.230 nan 0.000 0.570 459 G N 1.529 110.343 108.800 0.023 0.000 2.221 459 G HA2 -0.168 3.792 3.960 0.000 0.000 0.265 459 G HA3 -0.168 3.792 3.960 0.000 0.000 0.265 459 G C -0.300 174.611 174.900 0.019 0.000 1.041 459 G CA 0.238 45.348 45.100 0.017 0.000 0.807 459 G HN 0.556 nan 8.290 nan 0.000 0.502 460 E N -0.211 119.996 120.200 0.011 0.000 2.299 460 E HA 0.408 4.759 4.350 0.000 0.000 0.260 460 E C 0.080 176.665 176.600 -0.025 0.000 0.944 460 E CA -0.935 55.464 56.400 -0.001 0.000 0.815 460 E CB 0.918 30.616 29.700 -0.004 0.000 1.252 460 E HN 0.464 nan 8.360 nan 0.000 0.418 461 E N 1.882 122.064 120.200 -0.030 0.000 2.265 461 E HA 0.049 4.399 4.350 0.000 0.000 0.272 461 E C -1.619 174.943 176.600 -0.062 0.000 1.067 461 E CA -1.416 54.963 56.400 -0.034 0.000 0.900 461 E CB 0.652 30.338 29.700 -0.023 0.000 1.017 461 E HN 0.131 nan 8.360 nan 0.000 0.431 462 P HA -0.173 nan 4.420 nan 0.000 0.215 462 P C 1.089 178.352 177.300 -0.062 0.000 1.157 462 P CA 1.016 64.075 63.100 -0.068 0.000 0.863 462 P CB 0.264 31.940 31.700 -0.041 0.000 0.787 463 S N 0.013 115.689 115.700 -0.040 0.000 2.378 463 S HA -0.194 4.276 4.470 0.000 0.000 0.229 463 S C 2.050 176.630 174.600 -0.034 0.000 1.052 463 S CA 1.990 60.172 58.200 -0.029 0.000 1.084 463 S CB -1.888 61.300 63.200 -0.020 0.000 0.950 463 S HN -0.032 nan 8.310 nan 0.000 0.440 464 V N 1.550 121.440 119.914 -0.039 0.000 2.307 464 V HA -0.129 3.991 4.120 0.000 0.000 0.245 464 V C 2.470 178.535 176.094 -0.049 0.000 1.045 464 V CA 1.538 63.818 62.300 -0.033 0.000 1.024 464 V CB -0.890 30.918 31.823 -0.025 0.000 0.651 464 V HN 0.389 nan 8.190 nan 0.000 0.449 465 V N 0.382 120.227 119.914 -0.115 0.000 2.270 465 V HA -0.237 3.883 4.120 0.000 0.000 0.245 465 V C 2.774 178.815 176.094 -0.088 0.000 1.043 465 V CA 1.971 64.154 62.300 -0.196 0.000 1.014 465 V CB -1.253 30.272 31.823 -0.496 0.000 0.645 465 V HN 0.540 nan 8.190 nan 0.000 0.447 466 A N 0.730 123.507 122.820 -0.071 0.000 1.903 466 A HA -0.375 3.945 4.320 0.000 0.000 0.219 466 A C 2.067 179.654 177.584 0.004 0.000 1.191 466 A CA 2.703 54.727 52.037 -0.022 0.000 0.638 466 A CB -1.085 17.902 19.000 -0.021 0.000 0.823 466 A HN 0.660 nan 8.150 nan 0.000 0.451 467 N N -0.675 118.022 118.700 -0.004 0.000 2.094 467 N HA -0.145 4.595 4.740 0.000 0.000 0.191 467 N C 1.562 177.082 175.510 0.016 0.000 1.023 467 N CA 2.502 55.553 53.050 0.003 0.000 0.857 467 N CB -0.371 38.114 38.487 -0.005 0.000 1.013 467 N HN 0.463 nan 8.380 nan 0.000 0.426 468 T N -1.035 113.539 114.554 0.033 0.000 2.942 468 T HA 0.017 4.367 4.350 0.000 0.000 0.265 468 T C 1.985 176.748 174.700 0.105 0.000 1.062 468 T CA 0.777 62.909 62.100 0.054 0.000 1.139 468 T CB -0.300 68.623 68.868 0.091 0.000 0.883 468 T HN 0.011 nan 8.240 nan 0.000 0.468 469 V N 1.917 121.912 119.914 0.136 0.000 2.343 469 V HA -0.176 3.944 4.120 0.000 0.000 0.247 469 V C 2.547 178.701 176.094 0.100 0.000 1.051 469 V CA 1.493 63.890 62.300 0.162 0.000 1.036 469 V CB -0.486 31.418 31.823 0.135 0.000 0.654 469 V HN 0.466 nan 8.190 nan 0.000 0.451 470 K N 0.338 120.773 120.400 0.058 0.000 2.152 470 K HA -0.132 4.188 4.320 0.000 0.000 0.206 470 K C 2.036 178.648 176.600 0.020 0.000 1.048 470 K CA 1.497 57.805 56.287 0.035 0.000 0.933 470 K CB -0.571 31.941 32.500 0.020 0.000 0.721 470 K HN 0.573 nan 8.250 nan 0.000 0.447 471 G N 1.014 109.821 108.800 0.011 0.000 2.776 471 G HA2 -0.006 3.954 3.960 0.000 0.000 0.209 471 G HA3 -0.006 3.954 3.960 0.000 0.000 0.209 471 G C 0.563 175.441 174.900 -0.037 0.000 1.145 471 G CA 0.315 45.404 45.100 -0.018 0.000 0.791 471 G HN 0.309 nan 8.290 nan 0.000 0.530 472 G N -0.958 107.841 108.800 -0.001 0.000 2.531 472 G HA2 0.541 4.501 3.960 0.000 0.000 0.313 472 G HA3 0.541 4.501 3.960 0.000 0.000 0.313 472 G C -1.323 173.576 174.900 -0.002 0.000 1.238 472 G CA -0.515 44.573 45.100 -0.020 0.000 0.994 472 G HN 0.063 nan 8.290 nan 0.000 0.493 473 D N -1.587 118.811 120.400 -0.005 0.000 2.547 473 D HA 0.534 5.174 4.640 0.000 0.000 0.231 473 D C 0.931 177.277 176.300 0.076 0.000 1.099 473 D CA 0.711 54.723 54.000 0.020 0.000 0.901 473 D CB 1.955 42.744 40.800 -0.018 0.000 1.478 473 D HN 0.842 nan 8.370 nan 0.000 0.471 474 G N 2.023 110.863 108.800 0.065 0.000 2.660 474 G HA2 -0.338 3.622 3.960 0.000 0.000 0.321 474 G HA3 -0.338 3.622 3.960 0.000 0.000 0.321 474 G C 0.030 174.991 174.900 0.102 0.000 1.246 474 G CA 0.285 45.431 45.100 0.076 0.000 1.000 474 G HN 0.595 nan 8.290 nan 0.000 0.550 475 N N 0.087 118.857 118.700 0.117 0.000 3.170 475 N HA 0.530 5.270 4.740 0.000 0.000 0.305 475 N C -1.018 174.585 175.510 0.155 0.000 1.499 475 N CA -0.054 53.062 53.050 0.109 0.000 1.110 475 N CB 0.608 39.134 38.487 0.064 0.000 1.390 475 N HN 0.533 nan 8.380 nan 0.000 0.508 476 Y N 0.070 120.408 120.300 0.063 0.000 2.386 476 Y HA 0.722 5.272 4.550 0.000 0.000 0.334 476 Y C 0.317 176.302 175.900 0.141 0.000 1.002 476 Y CA -0.502 57.655 58.100 0.095 0.000 1.068 476 Y CB 1.329 39.845 38.460 0.092 0.000 1.203 476 Y HN 0.262 nan 8.280 nan 0.000 0.443 477 G N 2.604 111.544 108.800 0.233 0.000 2.393 477 G HA2 0.034 3.994 3.960 0.000 0.000 0.264 477 G HA3 0.034 3.994 3.960 0.000 0.000 0.264 477 G C -2.389 172.510 174.900 -0.002 0.000 1.221 477 G CA -0.946 44.333 45.100 0.298 0.000 0.912 477 G HN 0.446 nan 8.290 nan 0.000 0.483 478 Y N 2.417 122.633 120.300 -0.140 0.000 2.486 478 Y HA 0.475 5.025 4.550 0.000 0.000 0.348 478 Y C 0.727 176.458 175.900 -0.282 0.000 1.000 478 Y CA -0.944 56.943 58.100 -0.356 0.000 1.253 478 Y CB 0.524 38.903 38.460 -0.135 0.000 1.140 478 Y HN 0.455 nan 8.280 nan 0.000 0.526 479 N N 4.657 122.913 118.700 -0.740 0.000 2.414 479 N HA -0.030 4.710 4.740 0.000 0.000 0.268 479 N C 0.676 175.880 175.510 -0.509 0.000 1.286 479 N CA 0.792 53.522 53.050 -0.534 0.000 0.896 479 N CB 1.180 39.371 38.487 -0.493 0.000 1.093 479 N HN 0.879 nan 8.380 nan 0.000 0.480 480 A N 4.327 127.005 122.820 -0.237 0.000 1.930 480 A HA 0.009 4.329 4.320 0.000 0.000 0.217 480 A C 1.859 179.369 177.584 -0.125 0.000 1.175 480 A CA 1.697 53.663 52.037 -0.118 0.000 0.627 480 A CB -0.724 18.248 19.000 -0.047 0.000 0.815 480 A HN 0.773 nan 8.150 nan 0.000 0.443 481 A N -0.279 122.455 122.820 -0.144 0.000 2.028 481 A HA 0.228 4.548 4.320 0.000 0.000 0.213 481 A C 1.486 178.985 177.584 -0.141 0.000 1.486 481 A CA 1.536 53.504 52.037 -0.115 0.000 0.597 481 A CB -1.280 17.661 19.000 -0.098 0.000 1.089 481 A HN 0.768 nan 8.150 nan 0.000 0.489 482 T N 0.396 114.855 114.554 -0.159 0.000 3.151 482 T HA 0.375 4.725 4.350 0.000 0.000 0.332 482 T C -0.077 174.468 174.700 -0.257 0.000 1.245 482 T CA -0.017 61.987 62.100 -0.159 0.000 1.019 482 T CB 0.202 69.006 68.868 -0.106 0.000 1.109 482 T HN 0.548 nan 8.240 nan 0.000 0.621 483 E N 2.247 122.232 120.200 -0.359 0.000 1.852 483 E HA -0.216 4.134 4.350 0.000 0.000 0.244 483 E C -0.395 175.919 176.600 -0.478 0.000 0.575 483 E CA 1.057 57.081 56.400 -0.626 0.000 0.826 483 E CB -0.756 28.727 29.700 -0.362 0.000 0.903 483 E HN 0.843 nan 8.360 nan 0.000 0.344 484 E N 0.613 120.465 120.200 -0.580 0.000 2.442 484 E HA 0.604 4.954 4.350 0.000 0.000 0.261 484 E C -1.180 175.019 176.600 -0.669 0.000 0.935 484 E CA -0.943 55.221 56.400 -0.394 0.000 0.856 484 E CB 1.188 30.784 29.700 -0.172 0.000 1.571 484 E HN 0.331 nan 8.360 nan 0.000 0.431 485 Y N -0.770 119.456 120.300 -0.123 0.000 2.386 485 Y HA 0.654 5.204 4.550 0.000 0.000 0.334 485 Y C 0.293 175.952 175.900 -0.401 0.000 1.002 485 Y CA -0.438 57.537 58.100 -0.208 0.000 1.068 485 Y CB 2.492 41.011 38.460 0.097 0.000 1.203 485 Y HN 0.658 nan 8.280 nan 0.000 0.443 486 G N 1.429 109.782 108.800 -0.744 0.000 2.428 486 G HA2 0.027 3.987 3.960 0.000 0.000 0.305 486 G HA3 0.027 3.987 3.960 0.000 0.000 0.305 486 G C -1.702 172.774 174.900 -0.707 0.000 1.260 486 G CA -1.179 43.530 45.100 -0.653 0.000 0.853 486 G HN 0.453 nan 8.290 nan 0.000 0.480 487 N N 1.414 119.957 118.700 -0.261 0.000 2.406 487 N HA 0.010 4.750 4.740 0.000 0.000 0.274 487 N C 1.796 177.234 175.510 -0.120 0.000 1.249 487 N CA -0.339 52.645 53.050 -0.111 0.000 0.951 487 N CB 0.446 38.927 38.487 -0.009 0.000 1.241 487 N HN 0.379 nan 8.380 nan 0.000 0.485 488 M N 3.366 122.895 119.600 -0.118 0.000 2.146 488 M HA -0.245 4.235 4.480 0.000 0.000 0.256 488 M C 1.628 177.892 176.300 -0.060 0.000 1.075 488 M CA 1.514 56.757 55.300 -0.094 0.000 1.082 488 M CB -0.390 32.183 32.600 -0.045 0.000 1.355 488 M HN 0.608 nan 8.290 nan 0.000 0.402 489 I N -0.537 120.014 120.570 -0.033 0.000 2.277 489 I HA -0.248 3.923 4.170 0.000 0.000 0.243 489 I C 1.805 177.905 176.117 -0.027 0.000 1.094 489 I CA 0.928 62.215 61.300 -0.021 0.000 1.393 489 I CB -0.490 37.508 38.000 -0.003 0.000 1.078 489 I HN 0.162 nan 8.210 nan 0.000 0.417 490 D N 1.129 121.511 120.400 -0.030 0.000 2.218 490 D HA -0.140 4.500 4.640 0.000 0.000 0.204 490 D C 1.838 178.113 176.300 -0.041 0.000 0.976 490 D CA 1.217 55.199 54.000 -0.029 0.000 0.853 490 D CB -0.069 40.717 40.800 -0.024 0.000 0.939 490 D HN 0.444 nan 8.370 nan 0.000 0.481 491 M N -2.961 116.603 119.600 -0.061 0.000 2.549 491 M HA 0.414 4.894 4.480 0.000 0.000 0.273 491 M C 0.952 177.214 176.300 -0.064 0.000 1.213 491 M CA 0.200 55.458 55.300 -0.070 0.000 0.976 491 M CB 0.662 33.202 32.600 -0.100 0.000 1.457 491 M HN -0.081 nan 8.290 nan 0.000 0.485 492 G N 2.240 111.011 108.800 -0.048 0.000 2.143 492 G HA2 -0.232 3.728 3.960 0.000 0.000 0.248 492 G HA3 -0.232 3.728 3.960 0.000 0.000 0.248 492 G C -0.197 174.679 174.900 -0.040 0.000 0.991 492 G CA 0.079 45.156 45.100 -0.038 0.000 0.689 492 G HN 0.626 nan 8.290 nan 0.000 0.522 493 I N 1.011 121.553 120.570 -0.047 0.000 2.388 493 I HA 0.579 4.749 4.170 0.000 0.000 0.281 493 I C 0.101 176.203 176.117 -0.024 0.000 1.046 493 I CA -0.933 60.343 61.300 -0.041 0.000 1.187 493 I CB 0.698 38.662 38.000 -0.061 0.000 1.351 493 I HN 0.229 nan 8.210 nan 0.000 0.472 494 L N 2.877 124.093 121.223 -0.013 0.000 2.469 494 L HA 0.781 5.121 4.340 0.000 0.000 0.256 494 L C -1.356 175.517 176.870 0.005 0.000 1.006 494 L CA -0.716 54.123 54.840 -0.002 0.000 0.832 494 L CB 1.638 43.696 42.059 -0.002 0.000 1.421 494 L HN 0.050 nan 8.230 nan 0.000 0.410 495 D N 0.259 120.666 120.400 0.011 0.000 2.457 495 D HA 0.505 5.145 4.640 0.000 0.000 0.240 495 D C -2.742 173.569 176.300 0.018 0.000 1.041 495 D CA -1.263 52.747 54.000 0.016 0.000 0.861 495 D CB 2.396 43.209 40.800 0.020 0.000 1.394 495 D HN 0.382 nan 8.370 nan 0.000 0.473 496 P HA 0.041 nan 4.420 nan 0.000 0.265 496 P C 0.853 178.167 177.300 0.024 0.000 1.193 496 P CA 0.088 63.201 63.100 0.022 0.000 0.765 496 P CB 0.553 32.269 31.700 0.026 0.000 0.823 497 T N 2.286 116.852 114.554 0.021 0.000 2.737 497 T HA -0.218 4.132 4.350 0.000 0.000 0.269 497 T C 1.618 176.332 174.700 0.024 0.000 1.040 497 T CA 1.368 63.481 62.100 0.021 0.000 1.142 497 T CB -0.316 68.562 68.868 0.017 0.000 0.861 497 T HN 0.495 nan 8.240 nan 0.000 0.456 498 K N 0.913 121.328 120.400 0.026 0.000 2.063 498 K HA -0.135 4.185 4.320 0.000 0.000 0.208 498 K C 2.440 179.068 176.600 0.045 0.000 1.048 498 K CA 1.641 57.947 56.287 0.032 0.000 0.928 498 K CB -0.359 32.160 32.500 0.032 0.000 0.713 498 K HN 0.372 nan 8.250 nan 0.000 0.442 499 V N -0.938 119.003 119.914 0.046 0.000 2.427 499 V HA -0.154 3.966 4.120 0.000 0.000 0.248 499 V C 1.746 177.872 176.094 0.053 0.000 1.051 499 V CA 2.244 64.577 62.300 0.054 0.000 1.048 499 V CB -0.768 31.083 31.823 0.047 0.000 0.666 499 V HN 0.280 nan 8.190 nan 0.000 0.456 500 T N 0.358 114.936 114.554 0.040 0.000 2.777 500 T HA -0.108 4.242 4.350 0.000 0.000 0.266 500 T C 1.984 176.704 174.700 0.034 0.000 1.040 500 T CA 1.913 64.035 62.100 0.036 0.000 1.141 500 T CB -0.363 68.522 68.868 0.029 0.000 0.868 500 T HN 0.593 nan 8.240 nan 0.000 0.444 501 R N 1.024 121.540 120.500 0.028 0.000 2.073 501 R HA -0.084 4.256 4.340 0.000 0.000 0.234 501 R C 2.558 178.865 176.300 0.013 0.000 1.134 501 R CA 1.740 57.848 56.100 0.013 0.000 0.952 501 R CB -0.374 29.929 30.300 0.005 0.000 0.850 501 R HN 0.237 nan 8.270 nan 0.000 0.433 502 S N 0.580 116.310 115.700 0.050 0.000 2.368 502 S HA -0.128 4.342 4.470 0.000 0.000 0.225 502 S C 2.020 176.737 174.600 0.196 0.000 1.030 502 S CA 1.147 59.417 58.200 0.116 0.000 0.999 502 S CB -0.273 63.054 63.200 0.211 0.000 0.844 502 S HN 0.574 nan 8.310 nan 0.000 0.459 503 A N 1.452 124.358 122.820 0.142 0.000 1.883 503 A HA -0.109 4.211 4.320 0.000 0.000 0.217 503 A C 2.150 179.794 177.584 0.100 0.000 1.186 503 A CA 1.624 53.737 52.037 0.126 0.000 0.624 503 A CB -0.790 18.256 19.000 0.076 0.000 0.822 503 A HN 0.419 nan 8.150 nan 0.000 0.444 504 L N -0.369 120.888 121.223 0.055 0.000 2.027 504 L HA -0.167 4.173 4.340 0.000 0.000 0.206 504 L C 2.496 179.370 176.870 0.007 0.000 1.074 504 L CA 2.356 57.214 54.840 0.029 0.000 0.745 504 L CB -0.831 41.236 42.059 0.013 0.000 0.898 504 L HN 0.512 nan 8.230 nan 0.000 0.433 505 Q N -1.754 118.021 119.800 -0.042 0.000 2.050 505 Q HA -0.233 4.107 4.340 0.000 0.000 0.202 505 Q C 2.177 178.094 176.000 -0.138 0.000 0.980 505 Q CA 2.197 57.919 55.803 -0.135 0.000 0.840 505 Q CB -0.326 28.259 28.738 -0.255 0.000 0.898 505 Q HN 0.527 nan 8.270 nan 0.000 0.424 506 Y N -0.024 120.281 120.300 0.008 0.000 2.242 506 Y HA -0.178 4.372 4.550 0.000 0.000 0.291 506 Y C 2.333 178.238 175.900 0.008 0.000 1.137 506 Y CA 0.981 59.085 58.100 0.008 0.000 1.181 506 Y CB -0.626 37.839 38.460 0.008 0.000 0.989 506 Y HN 0.145 nan 8.280 nan 0.000 0.527 507 A N 0.077 122.989 122.820 0.153 0.000 1.877 507 A HA -0.160 4.160 4.320 0.000 0.000 0.216 507 A C 2.469 180.088 177.584 0.059 0.000 1.186 507 A CA 2.015 54.106 52.037 0.089 0.000 0.620 507 A CB -1.279 17.760 19.000 0.065 0.000 0.822 507 A HN 0.392 nan 8.150 nan 0.000 0.443 508 A N -0.871 121.971 122.820 0.038 0.000 1.933 508 A HA -0.084 4.236 4.320 0.000 0.000 0.218 508 A C 2.457 180.053 177.584 0.020 0.000 1.175 508 A CA 2.143 54.191 52.037 0.019 0.000 0.628 508 A CB -0.963 18.037 19.000 0.000 0.000 0.814 508 A HN 0.592 nan 8.150 nan 0.000 0.444 509 S N -0.835 114.880 115.700 0.025 0.000 2.351 509 S HA -0.161 4.309 4.470 0.000 0.000 0.220 509 S C 1.975 176.604 174.600 0.048 0.000 1.035 509 S CA 1.928 60.148 58.200 0.033 0.000 1.031 509 S CB -0.599 62.633 63.200 0.053 0.000 0.928 509 S HN 0.512 nan 8.310 nan 0.000 0.433 510 V N 1.584 121.539 119.914 0.067 0.000 2.453 510 V HA 0.066 4.186 4.120 0.000 0.000 0.247 510 V C 2.619 178.737 176.094 0.039 0.000 1.048 510 V CA 1.859 64.192 62.300 0.055 0.000 1.049 510 V CB -0.985 30.873 31.823 0.059 0.000 0.672 510 V HN 0.600 nan 8.190 nan 0.000 0.457 511 A N 0.052 122.894 122.820 0.037 0.000 1.933 511 A HA -0.055 4.265 4.320 0.000 0.000 0.218 511 A C 2.340 179.938 177.584 0.023 0.000 1.175 511 A CA 1.903 53.957 52.037 0.028 0.000 0.628 511 A CB -1.340 17.675 19.000 0.026 0.000 0.814 511 A HN 0.630 nan 8.150 nan 0.000 0.444 512 G N -0.185 108.628 108.800 0.022 0.000 2.418 512 G HA2 -0.154 3.806 3.960 0.000 0.000 0.217 512 G HA3 -0.154 3.806 3.960 0.000 0.000 0.217 512 G C 1.543 176.455 174.900 0.020 0.000 1.158 512 G CA 1.023 46.133 45.100 0.018 0.000 0.771 512 G HN 0.438 nan 8.290 nan 0.000 0.545 513 L N -0.343 120.894 121.223 0.023 0.000 2.093 513 L HA 0.004 4.344 4.340 0.000 0.000 0.208 513 L C 3.064 179.948 176.870 0.024 0.000 1.085 513 L CA 0.855 55.709 54.840 0.024 0.000 0.755 513 L CB -0.285 41.790 42.059 0.027 0.000 0.904 513 L HN 0.227 nan 8.230 nan 0.000 0.435 514 M N -0.678 118.937 119.600 0.025 0.000 2.156 514 M HA -0.168 4.312 4.480 0.000 0.000 0.264 514 M C 2.290 178.603 176.300 0.022 0.000 1.067 514 M CA 1.720 57.035 55.300 0.024 0.000 1.131 514 M CB -0.189 32.425 32.600 0.025 0.000 1.368 514 M HN 0.174 nan 8.290 nan 0.000 0.416 515 I N -0.000 120.582 120.570 0.020 0.000 2.361 515 I HA -0.233 3.937 4.170 0.000 0.000 0.251 515 I C 1.827 177.955 176.117 0.019 0.000 1.133 515 I CA 1.447 62.758 61.300 0.018 0.000 1.413 515 I CB -0.320 37.690 38.000 0.016 0.000 1.073 515 I HN 0.380 nan 8.210 nan 0.000 0.424 516 T N -3.295 111.271 114.554 0.020 0.000 3.223 516 T HA 0.156 4.506 4.350 0.000 0.000 0.259 516 T C 0.506 175.221 174.700 0.025 0.000 1.015 516 T CA -0.300 61.813 62.100 0.021 0.000 0.908 516 T CB -0.472 68.407 68.868 0.019 0.000 1.054 516 T HN -0.055 nan 8.240 nan 0.000 0.567 517 T N 2.302 116.871 114.554 0.026 0.000 2.767 517 T HA 0.317 4.667 4.350 0.000 0.000 0.288 517 T C 0.593 175.313 174.700 0.034 0.000 0.963 517 T CA -0.546 61.570 62.100 0.028 0.000 1.019 517 T CB 1.585 70.468 68.868 0.026 0.000 0.923 517 T HN 0.113 nan 8.240 nan 0.000 0.468 518 E N 0.639 120.866 120.200 0.044 0.000 2.447 518 E HA 0.168 4.518 4.350 0.000 0.000 0.204 518 E C 0.148 176.795 176.600 0.077 0.000 0.977 518 E CA 0.129 56.571 56.400 0.071 0.000 0.950 518 E CB 0.718 30.473 29.700 0.091 0.000 0.975 518 E HN 0.559 nan 8.360 nan 0.000 0.496 519 C N 0.457 119.767 119.300 0.017 0.000 2.985 519 C HA 0.680 5.140 4.460 0.000 0.000 0.314 519 C C -1.380 173.560 174.990 -0.083 0.000 1.215 519 C CA -0.581 58.378 59.018 -0.099 0.000 1.414 519 C CB 0.628 28.317 27.740 -0.085 0.000 1.842 519 C HN 0.127 nan 8.230 nan 0.000 0.477 520 M N 4.988 124.517 119.600 -0.117 0.000 2.267 520 M HA 0.528 5.008 4.480 0.000 0.000 0.289 520 M C -1.192 175.155 176.300 0.078 0.000 1.043 520 M CA -0.489 54.838 55.300 0.045 0.000 0.928 520 M CB 2.076 34.813 32.600 0.229 0.000 1.613 520 M HN 0.366 nan 8.290 nan 0.000 0.450 521 V N 1.527 121.449 119.914 0.014 0.000 2.448 521 V HA 0.771 4.891 4.120 0.000 0.000 0.295 521 V C -0.211 175.820 176.094 -0.104 0.000 1.025 521 V CA -0.385 61.902 62.300 -0.023 0.000 0.859 521 V CB 1.839 33.641 31.823 -0.035 0.000 0.988 521 V HN 0.946 nan 8.190 nan 0.000 0.431 522 T N 2.039 116.481 114.554 -0.187 0.000 2.812 522 T HA 0.352 4.702 4.350 0.000 0.000 0.294 522 T C -1.171 173.415 174.700 -0.192 0.000 1.159 522 T CA -0.599 61.336 62.100 -0.275 0.000 1.008 522 T CB 1.955 70.487 68.868 -0.561 0.000 1.289 522 T HN 0.677 nan 8.240 nan 0.000 0.514 523 D N 1.228 121.528 120.400 -0.167 0.000 2.360 523 D HA 0.250 4.890 4.640 0.000 0.000 0.242 523 D C -0.217 176.025 176.300 -0.097 0.000 1.184 523 D CA -0.258 53.680 54.000 -0.103 0.000 0.930 523 D CB 0.805 41.556 40.800 -0.081 0.000 1.161 523 D HN 0.195 nan 8.370 nan 0.000 0.447 524 L N 2.745 123.940 121.223 -0.048 0.000 2.380 524 L HA 0.210 4.550 4.340 0.000 0.000 0.273 524 L C -1.398 175.458 176.870 -0.023 0.000 1.138 524 L CA -1.069 53.758 54.840 -0.021 0.000 0.832 524 L CB -0.100 41.959 42.059 -0.001 0.000 1.124 524 L HN 0.279 nan 8.230 nan 0.000 0.454 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.095 63.100 -0.009 0.000 0.800 525 P CB 0.000 31.707 31.700 0.012 0.000 0.726