REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2eu1_1_C DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEK PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.582 177.584 -0.003 0.000 1.274 2 A CA 0.000 52.034 52.037 -0.004 0.000 0.836 2 A CB 0.000 18.997 19.000 -0.004 0.000 0.831 3 A N 0.558 123.378 122.820 -0.000 0.000 2.561 3 A HA 0.494 4.814 4.320 -0.000 0.000 0.234 3 A C 0.082 177.665 177.584 -0.001 0.000 1.055 3 A CA 0.621 52.660 52.037 0.004 0.000 0.756 3 A CB -0.251 18.753 19.000 0.007 0.000 0.986 3 A HN 0.523 nan 8.150 nan 0.000 0.505 4 K N 1.025 121.429 120.400 0.006 0.000 2.352 4 K HA 0.507 4.827 4.320 -0.000 0.000 0.240 4 K C -1.367 175.248 176.600 0.024 0.000 1.017 4 K CA -0.742 55.545 56.287 -0.000 0.000 0.851 4 K CB 1.762 34.262 32.500 -0.000 0.000 1.261 4 K HN 0.735 nan 8.250 nan 0.000 0.451 5 D N 0.634 121.051 120.400 0.028 0.000 2.375 5 D HA 0.436 5.076 4.640 -0.000 0.000 0.247 5 D C -1.386 175.022 176.300 0.179 0.000 1.061 5 D CA -0.573 53.495 54.000 0.113 0.000 0.834 5 D CB 1.517 42.403 40.800 0.143 0.000 1.247 5 D HN 0.090 nan 8.370 nan 0.000 0.489 6 V N 4.064 124.060 119.914 0.136 0.000 2.531 6 V HA 0.460 4.580 4.120 -0.000 0.000 0.301 6 V C 0.108 176.108 176.094 -0.156 0.000 1.034 6 V CA -0.846 61.442 62.300 -0.019 0.000 0.865 6 V CB 1.808 33.570 31.823 -0.101 0.000 0.995 6 V HN 0.392 nan 8.190 nan 0.000 0.424 7 K N 3.211 123.395 120.400 -0.359 0.000 2.267 7 K HA 0.765 5.085 4.320 -0.000 0.000 0.246 7 K C -1.613 174.658 176.600 -0.548 0.000 0.954 7 K CA -0.601 55.432 56.287 -0.424 0.000 0.824 7 K CB 2.477 34.544 32.500 -0.721 0.000 1.167 7 K HN 0.443 nan 8.250 nan 0.000 0.431 8 F N -0.331 119.555 119.950 -0.106 0.000 2.577 8 F HA 0.332 4.859 4.527 -0.000 0.000 0.318 8 F C 1.188 176.950 175.800 -0.064 0.000 1.065 8 F CA 0.096 58.059 58.000 -0.063 0.000 0.929 8 F CB 1.734 40.711 39.000 -0.038 0.000 1.237 8 F HN 0.847 nan 8.300 nan 0.000 0.468 9 G N 2.412 111.322 108.800 0.184 0.000 2.660 9 G HA2 -0.461 3.499 3.960 -0.000 0.000 0.338 9 G HA3 -0.461 3.499 3.960 -0.000 0.000 0.338 9 G C 1.408 176.325 174.900 0.028 0.000 1.336 9 G CA 0.983 46.136 45.100 0.087 0.000 0.990 9 G HN 0.768 nan 8.290 nan 0.000 0.537 10 N N 0.372 119.083 118.700 0.019 0.000 2.049 10 N HA -0.234 4.506 4.740 -0.000 0.000 0.198 10 N C 1.878 177.373 175.510 -0.025 0.000 1.030 10 N CA 2.466 55.514 53.050 -0.002 0.000 0.870 10 N CB -0.408 38.079 38.487 -0.000 0.000 1.045 10 N HN 0.598 nan 8.380 nan 0.000 0.434 11 D N 0.346 120.728 120.400 -0.029 0.000 2.127 11 D HA -0.136 4.504 4.640 -0.000 0.000 0.190 11 D C 1.703 177.921 176.300 -0.137 0.000 1.000 11 D CA 1.840 55.796 54.000 -0.072 0.000 0.839 11 D CB -0.505 40.256 40.800 -0.065 0.000 0.955 11 D HN 0.381 nan 8.370 nan 0.000 0.446 12 A N 0.076 122.799 122.820 -0.162 0.000 2.070 12 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 12 A C 2.314 179.825 177.584 -0.123 0.000 1.159 12 A CA 1.208 53.104 52.037 -0.234 0.000 0.656 12 A CB -0.346 18.521 19.000 -0.222 0.000 0.800 12 A HN 0.219 nan 8.150 nan 0.000 0.453 13 R N -0.558 119.902 120.500 -0.067 0.000 2.055 13 R HA -0.064 4.276 4.340 -0.000 0.000 0.226 13 R C 2.259 178.543 176.300 -0.026 0.000 1.135 13 R CA 1.428 57.509 56.100 -0.032 0.000 0.959 13 R CB -0.687 29.605 30.300 -0.014 0.000 0.854 13 R HN 0.543 nan 8.270 nan 0.000 0.431 14 V N 0.351 120.246 119.914 -0.032 0.000 2.380 14 V HA -0.260 3.860 4.120 -0.000 0.000 0.251 14 V C 1.984 178.068 176.094 -0.017 0.000 1.063 14 V CA 1.607 63.894 62.300 -0.021 0.000 1.055 14 V CB -0.497 31.312 31.823 -0.023 0.000 0.657 14 V HN 0.115 nan 8.190 nan 0.000 0.455 15 K N 0.051 120.429 120.400 -0.037 0.000 2.032 15 K HA -0.089 4.231 4.320 -0.000 0.000 0.209 15 K C 2.248 178.869 176.600 0.035 0.000 1.048 15 K CA 2.357 58.642 56.287 -0.005 0.000 0.927 15 K CB -0.596 31.876 32.500 -0.047 0.000 0.712 15 K HN 0.585 nan 8.250 nan 0.000 0.441 16 M N 0.225 119.843 119.600 0.029 0.000 2.065 16 M HA -0.210 4.270 4.480 -0.000 0.000 0.259 16 M C 2.300 178.615 176.300 0.026 0.000 1.069 16 M CA 1.278 56.601 55.300 0.039 0.000 1.110 16 M CB -0.528 32.090 32.600 0.030 0.000 1.328 16 M HN 0.055 nan 8.290 nan 0.000 0.405 17 L N 0.821 122.053 121.223 0.015 0.000 1.971 17 L HA -0.249 4.091 4.340 -0.000 0.000 0.215 17 L C 2.513 179.391 176.870 0.013 0.000 1.072 17 L CA 2.142 56.989 54.840 0.012 0.000 0.758 17 L CB -0.772 41.291 42.059 0.006 0.000 0.889 17 L HN 0.206 nan 8.230 nan 0.000 0.433 18 R N -0.442 120.066 120.500 0.013 0.000 2.133 18 R HA -0.157 4.183 4.340 -0.000 0.000 0.247 18 R C 2.090 178.401 176.300 0.018 0.000 1.151 18 R CA 1.895 58.004 56.100 0.014 0.000 0.971 18 R CB -1.095 29.215 30.300 0.016 0.000 0.866 18 R HN 0.577 nan 8.270 nan 0.000 0.447 19 G N -0.404 108.412 108.800 0.025 0.000 2.454 19 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.214 19 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.214 19 G C 1.399 176.309 174.900 0.017 0.000 1.217 19 G CA 0.605 45.720 45.100 0.025 0.000 0.799 19 G HN 0.287 nan 8.290 nan 0.000 0.538 20 V N 1.344 121.267 119.914 0.016 0.000 2.546 20 V HA -0.202 3.918 4.120 -0.000 0.000 0.254 20 V C 2.372 178.472 176.094 0.009 0.000 1.076 20 V CA 2.542 64.849 62.300 0.011 0.000 1.087 20 V CB -0.559 31.272 31.823 0.012 0.000 0.674 20 V HN 0.291 nan 8.190 nan 0.000 0.470 21 N N 0.203 118.909 118.700 0.009 0.000 2.120 21 N HA -0.114 4.626 4.740 -0.000 0.000 0.188 21 N C 1.758 177.271 175.510 0.005 0.000 1.024 21 N CA 1.809 54.863 53.050 0.007 0.000 0.852 21 N CB -0.460 38.031 38.487 0.007 0.000 1.003 21 N HN 0.493 nan 8.380 nan 0.000 0.424 22 V N 1.524 121.441 119.914 0.006 0.000 2.343 22 V HA -0.195 3.925 4.120 -0.000 0.000 0.247 22 V C 2.402 178.497 176.094 0.001 0.000 1.051 22 V CA 1.113 63.415 62.300 0.003 0.000 1.036 22 V CB -0.624 31.201 31.823 0.004 0.000 0.654 22 V HN 0.196 nan 8.190 nan 0.000 0.451 23 L N 1.133 122.357 121.223 0.001 0.000 1.976 23 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 23 L C 2.488 179.357 176.870 -0.002 0.000 1.071 23 L CA 2.525 57.364 54.840 -0.002 0.000 0.746 23 L CB -1.175 40.883 42.059 -0.002 0.000 0.890 23 L HN 0.209 nan 8.230 nan 0.000 0.432 24 A N -0.787 122.034 122.820 0.001 0.000 1.902 24 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 24 A C 1.990 179.575 177.584 0.001 0.000 1.181 24 A CA 1.936 53.974 52.037 0.001 0.000 0.623 24 A CB -0.915 18.087 19.000 0.004 0.000 0.818 24 A HN 0.609 nan 8.150 nan 0.000 0.443 25 D N -0.004 120.397 120.400 0.001 0.000 2.178 25 D HA -0.004 4.636 4.640 -0.000 0.000 0.202 25 D C 2.111 178.410 176.300 -0.001 0.000 0.974 25 D CA 1.340 55.340 54.000 0.000 0.000 0.841 25 D CB -0.303 40.497 40.800 0.001 0.000 0.953 25 D HN 0.460 nan 8.370 nan 0.000 0.478 26 A N 0.532 123.351 122.820 -0.003 0.000 1.970 26 A HA -0.042 4.278 4.320 -0.000 0.000 0.216 26 A C 2.336 179.917 177.584 -0.005 0.000 1.170 26 A CA 0.671 52.705 52.037 -0.004 0.000 0.645 26 A CB -0.396 18.601 19.000 -0.005 0.000 0.816 26 A HN 0.168 nan 8.150 nan 0.000 0.447 27 V N 0.886 120.797 119.914 -0.005 0.000 2.599 27 V HA -0.126 3.994 4.120 -0.000 0.000 0.245 27 V C 2.386 178.477 176.094 -0.005 0.000 1.046 27 V CA 2.021 64.317 62.300 -0.007 0.000 1.065 27 V CB -0.358 31.460 31.823 -0.008 0.000 0.703 27 V HN 0.799 nan 8.190 nan 0.000 0.464 28 K N 0.835 121.234 120.400 -0.003 0.000 2.439 28 K HA -0.037 4.283 4.320 -0.000 0.000 0.197 28 K C 1.420 178.019 176.600 -0.002 0.000 1.041 28 K CA 1.597 57.883 56.287 -0.002 0.000 0.970 28 K CB -0.529 31.972 32.500 0.001 0.000 0.773 28 K HN 0.508 nan 8.250 nan 0.000 0.479 29 V N -0.210 119.702 119.914 -0.002 0.000 3.623 29 V HA 0.005 4.125 4.120 -0.000 0.000 0.274 29 V C 1.466 177.558 176.094 -0.004 0.000 1.244 29 V CA 1.046 63.344 62.300 -0.002 0.000 1.182 29 V CB -0.967 30.855 31.823 -0.002 0.000 0.925 29 V HN 0.486 nan 8.190 nan 0.000 0.462 30 T N -3.276 111.275 114.554 -0.005 0.000 2.990 30 T HA 0.319 4.669 4.350 -0.000 0.000 0.250 30 T C 0.569 175.265 174.700 -0.007 0.000 1.041 30 T CA -0.292 61.804 62.100 -0.007 0.000 1.010 30 T CB -0.124 68.739 68.868 -0.009 0.000 1.003 30 T HN 0.279 nan 8.240 nan 0.000 0.499 31 L N 3.230 124.450 121.223 -0.005 0.000 2.628 31 L HA 0.427 4.767 4.340 -0.000 0.000 0.274 31 L C 1.235 178.101 176.870 -0.007 0.000 1.209 31 L CA 1.415 56.252 54.840 -0.005 0.000 0.930 31 L CB -1.204 40.854 42.059 -0.002 0.000 1.183 31 L HN 0.775 nan 8.230 nan 0.000 0.492 32 G N 4.987 113.780 108.800 -0.011 0.000 2.846 32 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.660 32 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.660 32 G C -1.416 173.472 174.900 -0.020 0.000 1.464 32 G CA -0.348 44.741 45.100 -0.018 0.000 0.891 32 G HN 0.603 nan 8.290 nan 0.000 0.552 33 P HA -0.136 nan 4.420 nan 0.000 0.219 33 P C 0.850 178.136 177.300 -0.023 0.000 1.145 33 P CA 1.565 64.646 63.100 -0.031 0.000 0.813 33 P CB 0.082 31.754 31.700 -0.047 0.000 0.771 34 K N -0.083 120.307 120.400 -0.018 0.000 2.593 34 K HA 0.271 4.591 4.320 -0.000 0.000 0.208 34 K C 1.027 177.623 176.600 -0.007 0.000 1.051 34 K CA -0.257 56.023 56.287 -0.011 0.000 1.111 34 K CB 0.368 32.865 32.500 -0.006 0.000 0.849 34 K HN 0.058 nan 8.250 nan 0.000 0.479 35 G N 1.579 110.374 108.800 -0.009 0.000 2.491 35 G HA2 0.085 4.045 3.960 -0.000 0.000 0.238 35 G HA3 0.085 4.045 3.960 -0.000 0.000 0.238 35 G C 0.197 175.093 174.900 -0.007 0.000 1.277 35 G CA -0.320 44.776 45.100 -0.007 0.000 0.851 35 G HN 0.058 nan 8.290 nan 0.000 0.573 36 R N 0.804 121.300 120.500 -0.005 0.000 2.541 36 R HA 0.288 4.628 4.340 -0.000 0.000 0.254 36 R C -0.015 176.282 176.300 -0.006 0.000 1.130 36 R CA -0.939 55.158 56.100 -0.005 0.000 1.152 36 R CB 0.151 30.448 30.300 -0.004 0.000 1.222 36 R HN 0.630 nan 8.270 nan 0.000 0.579 37 N N -1.075 117.622 118.700 -0.006 0.000 2.489 37 N HA 0.419 5.159 4.740 -0.000 0.000 0.284 37 N C -1.066 174.440 175.510 -0.007 0.000 1.158 37 N CA -0.572 52.474 53.050 -0.007 0.000 0.965 37 N CB 1.432 39.915 38.487 -0.007 0.000 1.195 37 N HN 0.095 nan 8.380 nan 0.000 0.506 38 V N 1.327 121.236 119.914 -0.008 0.000 2.483 38 V HA 0.310 4.430 4.120 -0.000 0.000 0.297 38 V C -0.512 175.577 176.094 -0.009 0.000 1.027 38 V CA -0.894 61.401 62.300 -0.008 0.000 0.855 38 V CB 1.614 33.431 31.823 -0.009 0.000 0.995 38 V HN 0.356 nan 8.190 nan 0.000 0.424 39 V N 6.357 126.265 119.914 -0.010 0.000 2.368 39 V HA 0.356 4.476 4.120 -0.000 0.000 0.266 39 V C 0.024 176.111 176.094 -0.012 0.000 1.045 39 V CA -0.298 61.995 62.300 -0.011 0.000 0.899 39 V CB 0.933 32.750 31.823 -0.012 0.000 1.006 39 V HN 0.650 nan 8.190 nan 0.000 0.470 40 L N 4.219 125.435 121.223 -0.012 0.000 2.259 40 L HA 0.399 4.739 4.340 -0.000 0.000 0.288 40 L C 0.282 177.143 176.870 -0.015 0.000 1.051 40 L CA -0.385 54.447 54.840 -0.013 0.000 0.824 40 L CB 0.832 42.884 42.059 -0.011 0.000 1.206 40 L HN 0.592 nan 8.230 nan 0.000 0.429 41 D N 3.583 123.972 120.400 -0.019 0.000 2.414 41 D HA 0.068 4.708 4.640 -0.000 0.000 0.242 41 D C -0.238 176.049 176.300 -0.022 0.000 1.129 41 D CA 0.261 54.246 54.000 -0.026 0.000 0.885 41 D CB 0.843 41.621 40.800 -0.036 0.000 1.198 41 D HN 0.349 nan 8.370 nan 0.000 0.437 42 K N 2.393 122.781 120.400 -0.020 0.000 2.463 42 K HA 0.247 4.567 4.320 -0.000 0.000 0.255 42 K C 1.103 177.699 176.600 -0.006 0.000 0.942 42 K CA -0.354 55.929 56.287 -0.005 0.000 0.814 42 K CB 1.027 33.532 32.500 0.008 0.000 1.122 42 K HN 0.653 nan 8.250 nan 0.000 0.425 43 S N 3.818 119.521 115.700 0.005 0.000 2.206 43 S HA -0.308 4.162 4.470 -0.000 0.000 0.454 43 S C 0.450 175.042 174.600 -0.015 0.000 1.033 43 S CA 1.283 59.495 58.200 0.020 0.000 2.646 43 S CB -0.830 62.427 63.200 0.094 0.000 1.946 43 S HN 0.527 nan 8.310 nan 0.000 0.522 44 F N 2.471 122.418 119.950 -0.005 0.000 2.493 44 F HA 0.677 5.204 4.527 -0.000 0.000 0.329 44 F C 0.902 176.700 175.800 -0.005 0.000 1.126 44 F CA 0.665 58.662 58.000 -0.005 0.000 0.937 44 F CB 1.741 40.738 39.000 -0.004 0.000 1.146 44 F HN 0.949 nan 8.300 nan 0.000 0.442 45 G N 1.810 110.723 108.800 0.188 0.000 2.270 45 G HA2 0.420 4.380 3.960 -0.000 0.000 0.268 45 G HA3 0.420 4.380 3.960 -0.000 0.000 0.268 45 G C -1.835 173.092 174.900 0.046 0.000 1.312 45 G CA -0.430 44.741 45.100 0.119 0.000 1.050 45 G HN 0.967 nan 8.290 nan 0.000 0.474 46 A N 0.596 123.436 122.820 0.033 0.000 2.306 46 A HA 0.873 5.193 4.320 -0.000 0.000 0.314 46 A C -1.676 175.911 177.584 0.005 0.000 1.164 46 A CA -0.872 51.173 52.037 0.012 0.000 0.822 46 A CB 0.266 19.274 19.000 0.013 0.000 1.130 46 A HN 0.603 nan 8.150 nan 0.000 0.496 47 P HA 0.178 nan 4.420 nan 0.000 0.272 47 P C -0.260 177.038 177.300 -0.004 0.000 1.243 47 P CA 0.275 63.370 63.100 -0.009 0.000 0.803 47 P CB 0.354 32.045 31.700 -0.014 0.000 0.974 48 T N 1.169 115.720 114.554 -0.005 0.000 2.792 48 T HA 0.531 4.881 4.350 -0.000 0.000 0.280 48 T C 0.001 174.697 174.700 -0.006 0.000 0.990 48 T CA -0.316 61.782 62.100 -0.004 0.000 0.960 48 T CB 0.200 69.066 68.868 -0.004 0.000 0.939 48 T HN 0.157 nan 8.240 nan 0.000 0.439 49 I N 2.859 123.426 120.570 -0.005 0.000 2.339 49 I HA 0.482 4.652 4.170 -0.000 0.000 0.290 49 I C 0.409 176.522 176.117 -0.006 0.000 0.994 49 I CA -0.387 60.909 61.300 -0.006 0.000 1.191 49 I CB 1.641 39.638 38.000 -0.006 0.000 1.343 49 I HN 0.498 nan 8.210 nan 0.000 0.458 50 T N 4.632 119.181 114.554 -0.008 0.000 2.864 50 T HA 0.414 4.764 4.350 -0.000 0.000 0.299 50 T C 0.089 174.784 174.700 -0.009 0.000 1.166 50 T CA -0.519 61.576 62.100 -0.008 0.000 1.007 50 T CB 1.809 70.672 68.868 -0.009 0.000 1.219 50 T HN 0.630 nan 8.240 nan 0.000 0.506 51 K N 0.909 121.304 120.400 -0.009 0.000 2.447 51 K HA 0.196 4.516 4.320 -0.000 0.000 0.205 51 K C -0.708 175.886 176.600 -0.011 0.000 1.059 51 K CA -0.226 56.056 56.287 -0.010 0.000 1.065 51 K CB 0.585 33.079 32.500 -0.010 0.000 0.885 51 K HN 0.424 nan 8.250 nan 0.000 0.545 52 D N 0.407 120.800 120.400 -0.012 0.000 2.352 52 D HA 0.078 4.718 4.640 -0.000 0.000 0.245 52 D C 1.242 177.533 176.300 -0.015 0.000 1.224 52 D CA 0.020 54.012 54.000 -0.014 0.000 0.879 52 D CB 1.155 41.946 40.800 -0.015 0.000 1.057 52 D HN 0.218 nan 8.370 nan 0.000 0.491 53 G N 2.550 111.341 108.800 -0.015 0.000 2.450 53 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.220 53 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.220 53 G C 1.486 176.374 174.900 -0.019 0.000 1.130 53 G CA 0.999 46.090 45.100 -0.016 0.000 0.760 53 G HN 0.492 nan 8.290 nan 0.000 0.557 54 V N 1.062 120.963 119.914 -0.023 0.000 2.295 54 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 54 V C 2.981 179.060 176.094 -0.025 0.000 1.049 54 V CA 2.264 64.547 62.300 -0.027 0.000 1.024 54 V CB -1.004 30.800 31.823 -0.032 0.000 0.648 54 V HN 0.339 nan 8.190 nan 0.000 0.447 55 S N 0.094 115.781 115.700 -0.021 0.000 2.368 55 S HA -0.135 4.335 4.470 -0.000 0.000 0.224 55 S C 2.067 176.656 174.600 -0.018 0.000 1.029 55 S CA 1.415 59.604 58.200 -0.019 0.000 0.988 55 S CB -0.318 62.872 63.200 -0.016 0.000 0.838 55 S HN 0.364 nan 8.310 nan 0.000 0.462 56 V N 2.009 121.913 119.914 -0.016 0.000 2.343 56 V HA -0.215 3.905 4.120 -0.000 0.000 0.247 56 V C 2.641 178.725 176.094 -0.016 0.000 1.051 56 V CA 1.757 64.048 62.300 -0.015 0.000 1.036 56 V CB -1.101 30.715 31.823 -0.013 0.000 0.654 56 V HN 0.551 nan 8.190 nan 0.000 0.451 57 A N -0.425 122.385 122.820 -0.018 0.000 1.930 57 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 57 A C 2.395 179.966 177.584 -0.022 0.000 1.175 57 A CA 1.768 53.794 52.037 -0.019 0.000 0.627 57 A CB -0.588 18.399 19.000 -0.022 0.000 0.815 57 A HN 0.460 nan 8.150 nan 0.000 0.443 58 R N -0.375 120.110 120.500 -0.024 0.000 2.117 58 R HA -0.175 4.165 4.340 -0.000 0.000 0.243 58 R C 1.700 177.986 176.300 -0.023 0.000 1.143 58 R CA 1.761 57.845 56.100 -0.026 0.000 0.968 58 R CB -0.127 30.156 30.300 -0.028 0.000 0.863 58 R HN 0.518 nan 8.270 nan 0.000 0.444 59 E N 0.327 120.516 120.200 -0.020 0.000 2.122 59 E HA -0.033 4.317 4.350 -0.000 0.000 0.190 59 E C 0.741 177.332 176.600 -0.016 0.000 0.977 59 E CA 0.109 56.499 56.400 -0.017 0.000 0.820 59 E CB -0.022 29.669 29.700 -0.015 0.000 0.770 59 E HN 0.224 nan 8.360 nan 0.000 0.462 60 I N 2.294 122.855 120.570 -0.015 0.000 2.821 60 I HA -0.094 4.076 4.170 -0.000 0.000 0.294 60 I C 0.538 176.647 176.117 -0.013 0.000 1.210 60 I CA 1.018 62.310 61.300 -0.013 0.000 1.430 60 I CB -0.339 37.654 38.000 -0.011 0.000 1.356 60 I HN 0.112 nan 8.210 nan 0.000 0.563 61 E N 7.090 127.283 120.200 -0.012 0.000 2.651 61 E HA 0.256 4.606 4.350 -0.000 0.000 0.360 61 E C -1.393 175.200 176.600 -0.012 0.000 0.932 61 E CA -0.459 55.933 56.400 -0.013 0.000 0.761 61 E CB 0.850 30.541 29.700 -0.016 0.000 1.462 61 E HN 0.439 nan 8.360 nan 0.000 0.392 62 L N 2.558 123.776 121.223 -0.008 0.000 2.476 62 L HA 0.265 4.605 4.340 -0.000 0.000 0.255 62 L C 1.748 178.612 176.870 -0.010 0.000 1.218 62 L CA -0.047 54.790 54.840 -0.005 0.000 0.819 62 L CB 0.447 42.508 42.059 0.003 0.000 1.119 62 L HN 0.679 nan 8.230 nan 0.000 0.485 63 E N 0.190 120.387 120.200 -0.006 0.000 2.086 63 E HA -0.144 4.206 4.350 -0.000 0.000 0.190 63 E C 0.498 177.090 176.600 -0.013 0.000 0.975 63 E CA 0.123 56.517 56.400 -0.011 0.000 0.813 63 E CB 0.266 29.962 29.700 -0.006 0.000 0.768 63 E HN 0.663 nan 8.360 nan 0.000 0.457 64 D N 1.198 121.601 120.400 0.004 0.000 2.389 64 D HA -0.074 4.566 4.640 -0.000 0.000 0.263 64 D C 0.754 177.043 176.300 -0.018 0.000 1.255 64 D CA 0.016 54.028 54.000 0.019 0.000 0.914 64 D CB 0.821 41.661 40.800 0.066 0.000 1.116 64 D HN 0.060 nan 8.370 nan 0.000 0.502 65 K N 3.783 124.120 120.400 -0.105 0.000 2.144 65 K HA -0.220 4.100 4.320 -0.000 0.000 0.209 65 K C 1.850 178.289 176.600 -0.268 0.000 1.047 65 K CA 1.367 57.512 56.287 -0.237 0.000 0.927 65 K CB -0.515 31.744 32.500 -0.401 0.000 0.716 65 K HN 0.472 nan 8.250 nan 0.000 0.454 66 F N 1.517 121.454 119.950 -0.021 0.000 2.118 66 F HA -0.027 4.500 4.527 -0.000 0.000 0.293 66 F C 2.507 178.296 175.800 -0.020 0.000 1.102 66 F CA 0.980 58.965 58.000 -0.025 0.000 1.247 66 F CB -0.645 38.339 39.000 -0.027 0.000 1.017 66 F HN 0.076 nan 8.300 nan 0.000 0.475 67 E N 0.036 120.342 120.200 0.177 0.000 2.118 67 E HA -0.270 4.080 4.350 -0.000 0.000 0.195 67 E C 1.849 178.480 176.600 0.051 0.000 0.992 67 E CA 1.363 57.819 56.400 0.093 0.000 0.804 67 E CB -0.302 29.438 29.700 0.067 0.000 0.741 67 E HN 0.299 nan 8.360 nan 0.000 0.458 68 N N 0.543 119.259 118.700 0.026 0.000 2.025 68 N HA -0.180 4.560 4.740 -0.000 0.000 0.194 68 N C 1.727 177.239 175.510 0.004 0.000 1.044 68 N CA 1.541 54.591 53.050 0.001 0.000 0.851 68 N CB -0.056 38.415 38.487 -0.026 0.000 1.036 68 N HN 0.040 nan 8.380 nan 0.000 0.422 69 M N -0.342 119.259 119.600 0.002 0.000 2.113 69 M HA -0.195 4.285 4.480 -0.000 0.000 0.255 69 M C 2.204 178.517 176.300 0.022 0.000 1.073 69 M CA 2.091 57.397 55.300 0.009 0.000 1.091 69 M CB -1.015 31.600 32.600 0.026 0.000 1.309 69 M HN 0.394 nan 8.290 nan 0.000 0.407 70 G N -0.397 108.427 108.800 0.041 0.000 2.491 70 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.218 70 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.218 70 G C 1.583 176.494 174.900 0.019 0.000 1.180 70 G CA 1.277 46.397 45.100 0.033 0.000 0.774 70 G HN 0.598 nan 8.290 nan 0.000 0.562 71 A N -0.563 122.266 122.820 0.015 0.000 1.930 71 A HA 0.006 4.326 4.320 -0.000 0.000 0.217 71 A C 2.370 179.953 177.584 -0.001 0.000 1.175 71 A CA 1.777 53.817 52.037 0.006 0.000 0.627 71 A CB -0.285 18.717 19.000 0.004 0.000 0.815 71 A HN 0.311 nan 8.150 nan 0.000 0.443 72 Q N -0.822 118.977 119.800 -0.002 0.000 2.224 72 Q HA -0.027 4.313 4.340 -0.000 0.000 0.203 72 Q C 2.015 178.010 176.000 -0.008 0.000 0.970 72 Q CA 1.099 56.897 55.803 -0.009 0.000 0.865 72 Q CB -0.328 28.402 28.738 -0.013 0.000 0.922 72 Q HN 0.761 nan 8.270 nan 0.000 0.445 73 M N -0.282 119.318 119.600 -0.000 0.000 2.156 73 M HA -0.117 4.363 4.480 -0.000 0.000 0.264 73 M C 2.184 178.484 176.300 0.000 0.000 1.067 73 M CA 1.174 56.475 55.300 0.003 0.000 1.131 73 M CB -0.146 32.461 32.600 0.012 0.000 1.368 73 M HN 0.139 nan 8.290 nan 0.000 0.416 74 V N -1.620 118.295 119.914 0.002 0.000 2.809 74 V HA -0.152 3.968 4.120 -0.000 0.000 0.256 74 V C 1.832 177.917 176.094 -0.015 0.000 1.080 74 V CA 1.513 63.814 62.300 0.001 0.000 1.102 74 V CB -0.704 31.123 31.823 0.006 0.000 0.705 74 V HN 0.381 nan 8.190 nan 0.000 0.475 75 K N 0.460 120.848 120.400 -0.019 0.000 2.057 75 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 75 K C 2.285 178.856 176.600 -0.049 0.000 1.050 75 K CA 1.700 57.968 56.287 -0.032 0.000 0.935 75 K CB -0.255 32.228 32.500 -0.027 0.000 0.715 75 K HN 0.726 nan 8.250 nan 0.000 0.439 76 E N 1.028 121.202 120.200 -0.042 0.000 2.049 76 E HA -0.231 4.119 4.350 -0.000 0.000 0.198 76 E C 2.016 178.561 176.600 -0.091 0.000 1.007 76 E CA 2.155 58.523 56.400 -0.053 0.000 0.809 76 E CB -0.040 29.640 29.700 -0.033 0.000 0.749 76 E HN 0.197 nan 8.360 nan 0.000 0.450 77 V N -0.677 119.189 119.914 -0.079 0.000 2.283 77 V HA -0.063 4.057 4.120 -0.000 0.000 0.243 77 V C 2.467 178.429 176.094 -0.220 0.000 1.039 77 V CA 1.929 64.148 62.300 -0.136 0.000 1.016 77 V CB -1.213 30.606 31.823 -0.006 0.000 0.650 77 V HN 0.346 nan 8.190 nan 0.000 0.449 78 A N 1.573 124.328 122.820 -0.108 0.000 1.997 78 A HA -0.246 4.074 4.320 -0.000 0.000 0.221 78 A C 2.557 180.055 177.584 -0.144 0.000 1.172 78 A CA 3.205 55.186 52.037 -0.094 0.000 0.645 78 A CB -1.231 17.744 19.000 -0.043 0.000 0.813 78 A HN 1.113 nan 8.150 nan 0.000 0.454 79 S N -0.457 115.151 115.700 -0.152 0.000 2.428 79 S HA -0.091 4.379 4.470 -0.000 0.000 0.230 79 S C 1.711 176.180 174.600 -0.219 0.000 1.014 79 S CA 1.113 59.226 58.200 -0.144 0.000 0.957 79 S CB -0.300 62.838 63.200 -0.104 0.000 0.784 79 S HN 0.631 nan 8.310 nan 0.000 0.499 80 K N 1.641 121.822 120.400 -0.366 0.000 2.211 80 K HA 0.015 4.335 4.320 -0.000 0.000 0.204 80 K C 2.357 178.625 176.600 -0.552 0.000 1.047 80 K CA 1.211 57.171 56.287 -0.544 0.000 0.935 80 K CB -0.460 31.475 32.500 -0.942 0.000 0.728 80 K HN 0.538 nan 8.250 nan 0.000 0.452 81 A N 1.266 123.805 122.820 -0.469 0.000 1.929 81 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 81 A C 1.880 179.442 177.584 -0.038 0.000 1.176 81 A CA 1.529 53.517 52.037 -0.081 0.000 0.628 81 A CB -0.457 18.581 19.000 0.064 0.000 0.816 81 A HN 0.268 nan 8.150 nan 0.000 0.444 82 N N 0.136 118.784 118.700 -0.087 0.000 2.188 82 N HA -0.117 4.623 4.740 -0.000 0.000 0.184 82 N C 1.018 176.474 175.510 -0.089 0.000 1.018 82 N CA 1.400 54.404 53.050 -0.078 0.000 0.858 82 N CB -0.117 38.319 38.487 -0.084 0.000 0.989 82 N HN 0.339 nan 8.380 nan 0.000 0.426 83 D N -0.736 119.611 120.400 -0.089 0.000 2.312 83 D HA 0.004 4.644 4.640 -0.000 0.000 0.211 83 D C 1.342 177.627 176.300 -0.026 0.000 0.964 83 D CA 0.602 54.561 54.000 -0.067 0.000 0.877 83 D CB 0.068 40.827 40.800 -0.069 0.000 0.924 83 D HN 0.409 nan 8.370 nan 0.000 0.515 84 A N 0.270 123.091 122.820 0.003 0.000 1.956 84 A HA 0.367 4.687 4.320 -0.000 0.000 0.212 84 A C 1.882 179.499 177.584 0.054 0.000 1.188 84 A CA 1.026 53.097 52.037 0.057 0.000 0.675 84 A CB 0.293 19.375 19.000 0.135 0.000 0.845 84 A HN 0.151 nan 8.150 nan 0.000 0.455 85 A N -1.987 120.853 122.820 0.033 0.000 2.545 85 A HA 0.478 4.798 4.320 -0.000 0.000 0.263 85 A C 1.466 179.041 177.584 -0.015 0.000 1.202 85 A CA 0.938 52.995 52.037 0.034 0.000 0.959 85 A CB -0.499 18.526 19.000 0.042 0.000 1.124 85 A HN 1.791 nan 8.150 nan 0.000 0.543 86 G N -0.398 108.339 108.800 -0.106 0.000 2.168 86 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.257 86 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.257 86 G C -0.139 174.675 174.900 -0.143 0.000 0.997 86 G CA 0.968 45.913 45.100 -0.259 0.000 0.708 86 G HN 1.062 nan 8.290 nan 0.000 0.520 87 D N -3.139 117.217 120.400 -0.073 0.000 2.807 87 D HA 0.568 5.208 4.640 -0.000 0.000 0.279 87 D C 0.486 176.775 176.300 -0.018 0.000 1.247 87 D CA 1.335 55.309 54.000 -0.044 0.000 0.749 87 D CB -0.058 40.726 40.800 -0.028 0.000 1.264 87 D HN 1.536 nan 8.370 nan 0.000 0.421 88 G N 0.169 108.961 108.800 -0.013 0.000 2.215 88 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.198 88 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.198 88 G C 0.687 175.588 174.900 0.001 0.000 1.047 88 G CA 0.580 45.681 45.100 0.003 0.000 0.747 88 G HN 0.511 nan 8.290 nan 0.000 0.495 89 T N 0.192 114.737 114.554 -0.015 0.000 2.904 89 T HA 0.007 4.357 4.350 -0.000 0.000 0.243 89 T C 2.695 177.388 174.700 -0.011 0.000 1.024 89 T CA 2.030 64.117 62.100 -0.022 0.000 1.158 89 T CB -0.342 68.504 68.868 -0.038 0.000 0.867 89 T HN 0.422 nan 8.240 nan 0.000 0.429 90 T N 2.438 116.985 114.554 -0.012 0.000 2.685 90 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 90 T C 2.140 176.841 174.700 0.001 0.000 1.034 90 T CA 1.956 64.051 62.100 -0.007 0.000 1.149 90 T CB -0.987 67.876 68.868 -0.008 0.000 0.860 90 T HN 0.421 nan 8.240 nan 0.000 0.449 91 T N 2.457 117.014 114.554 0.004 0.000 2.595 91 T HA -0.115 4.235 4.350 -0.000 0.000 0.264 91 T C 2.465 177.176 174.700 0.019 0.000 1.058 91 T CA 1.400 63.507 62.100 0.011 0.000 1.166 91 T CB -0.932 67.945 68.868 0.015 0.000 0.863 91 T HN 0.486 nan 8.240 nan 0.000 0.415 92 A N 1.247 124.083 122.820 0.027 0.000 1.997 92 A HA -0.204 4.116 4.320 -0.000 0.000 0.221 92 A C 2.523 180.124 177.584 0.029 0.000 1.172 92 A CA 2.344 54.406 52.037 0.042 0.000 0.645 92 A CB -1.379 17.657 19.000 0.059 0.000 0.813 92 A HN 0.542 nan 8.150 nan 0.000 0.454 93 T N -0.492 114.071 114.554 0.015 0.000 2.732 93 T HA -0.100 4.250 4.350 -0.000 0.000 0.261 93 T C 2.039 176.745 174.700 0.012 0.000 1.040 93 T CA 1.884 63.990 62.100 0.010 0.000 1.145 93 T CB -0.797 68.071 68.868 0.001 0.000 0.866 93 T HN 0.750 nan 8.240 nan 0.000 0.427 94 V N 0.833 120.753 119.914 0.010 0.000 2.568 94 V HA -0.085 4.035 4.120 -0.000 0.000 0.253 94 V C 2.145 178.247 176.094 0.013 0.000 1.072 94 V CA 1.497 63.803 62.300 0.010 0.000 1.084 94 V CB -1.069 30.759 31.823 0.008 0.000 0.676 94 V HN 0.444 nan 8.190 nan 0.000 0.469 95 L N 0.313 121.546 121.223 0.017 0.000 2.027 95 L HA -0.002 4.338 4.340 -0.000 0.000 0.206 95 L C 3.052 179.934 176.870 0.020 0.000 1.074 95 L CA 1.734 56.586 54.840 0.020 0.000 0.745 95 L CB -0.897 41.178 42.059 0.026 0.000 0.898 95 L HN 0.450 nan 8.230 nan 0.000 0.433 96 A N -0.656 122.178 122.820 0.023 0.000 1.933 96 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 96 A C 2.215 179.810 177.584 0.017 0.000 1.175 96 A CA 1.803 53.854 52.037 0.024 0.000 0.628 96 A CB -0.554 18.462 19.000 0.027 0.000 0.814 96 A HN 0.522 nan 8.150 nan 0.000 0.444 97 Q N -0.416 119.392 119.800 0.014 0.000 2.050 97 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 97 Q C 2.213 178.220 176.000 0.011 0.000 0.980 97 Q CA 1.672 57.482 55.803 0.012 0.000 0.840 97 Q CB -0.374 28.370 28.738 0.009 0.000 0.898 97 Q HN 0.590 nan 8.270 nan 0.000 0.424 98 A N 1.176 124.003 122.820 0.011 0.000 1.851 98 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 98 A C 2.045 179.635 177.584 0.011 0.000 1.195 98 A CA 1.683 53.726 52.037 0.010 0.000 0.622 98 A CB -0.916 18.091 19.000 0.011 0.000 0.831 98 A HN 0.507 nan 8.150 nan 0.000 0.444 99 I N -0.234 120.343 120.570 0.012 0.000 2.118 99 I HA -0.310 3.860 4.170 -0.000 0.000 0.241 99 I C 2.427 178.551 176.117 0.011 0.000 1.070 99 I CA 1.756 63.063 61.300 0.012 0.000 1.327 99 I CB -0.509 37.500 38.000 0.014 0.000 1.034 99 I HN 0.335 nan 8.210 nan 0.000 0.405 100 I N 0.333 120.910 120.570 0.013 0.000 2.208 100 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 100 I C 2.608 178.730 176.117 0.009 0.000 1.097 100 I CA 1.676 62.983 61.300 0.012 0.000 1.363 100 I CB -0.719 37.289 38.000 0.013 0.000 1.051 100 I HN 0.308 nan 8.210 nan 0.000 0.413 101 T N 0.386 114.946 114.554 0.009 0.000 2.622 101 T HA -0.172 4.178 4.350 -0.000 0.000 0.266 101 T C 1.811 176.514 174.700 0.006 0.000 1.047 101 T CA 1.400 63.504 62.100 0.007 0.000 1.159 101 T CB -0.204 68.668 68.868 0.006 0.000 0.863 101 T HN 0.314 nan 8.240 nan 0.000 0.422 102 E N 0.653 120.857 120.200 0.006 0.000 2.150 102 E HA -0.027 4.323 4.350 -0.000 0.000 0.193 102 E C 2.488 179.092 176.600 0.006 0.000 0.985 102 E CA 1.001 57.404 56.400 0.006 0.000 0.814 102 E CB -0.838 28.865 29.700 0.006 0.000 0.752 102 E HN 0.572 nan 8.360 nan 0.000 0.466 103 G N 1.811 110.615 108.800 0.007 0.000 2.480 103 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.216 103 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.216 103 G C 1.704 176.608 174.900 0.006 0.000 1.200 103 G CA 0.666 45.770 45.100 0.007 0.000 0.782 103 G HN 0.194 nan 8.290 nan 0.000 0.554 104 L N 0.224 121.450 121.223 0.006 0.000 2.265 104 L HA -0.037 4.303 4.340 -0.000 0.000 0.215 104 L C 2.760 179.633 176.870 0.004 0.000 1.117 104 L CA 1.273 56.116 54.840 0.005 0.000 0.782 104 L CB -0.294 41.768 42.059 0.004 0.000 0.914 104 L HN 0.258 nan 8.230 nan 0.000 0.441 105 K N 0.564 120.967 120.400 0.004 0.000 2.057 105 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 105 K C 2.170 178.772 176.600 0.003 0.000 1.050 105 K CA 1.211 57.500 56.287 0.003 0.000 0.935 105 K CB -0.045 32.456 32.500 0.003 0.000 0.715 105 K HN 0.247 nan 8.250 nan 0.000 0.439 106 A N 0.301 123.123 122.820 0.004 0.000 1.969 106 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 106 A C 2.133 179.720 177.584 0.004 0.000 1.169 106 A CA 1.262 53.301 52.037 0.003 0.000 0.635 106 A CB -0.384 18.619 19.000 0.004 0.000 0.810 106 A HN 0.153 nan 8.150 nan 0.000 0.445 107 V N -0.131 119.785 119.914 0.004 0.000 2.307 107 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 107 V C 3.037 179.133 176.094 0.003 0.000 1.045 107 V CA 1.828 64.131 62.300 0.005 0.000 1.024 107 V CB -1.236 30.591 31.823 0.006 0.000 0.651 107 V HN 0.579 nan 8.190 nan 0.000 0.449 108 A N 0.209 123.031 122.820 0.002 0.000 1.972 108 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 108 A C 2.241 179.826 177.584 0.001 0.000 1.169 108 A CA 1.732 53.770 52.037 0.001 0.000 0.635 108 A CB -0.680 18.320 19.000 0.000 0.000 0.810 108 A HN 0.613 nan 8.150 nan 0.000 0.446 109 A N -1.710 121.111 122.820 0.001 0.000 2.248 109 A HA 0.352 4.672 4.320 -0.000 0.000 0.210 109 A C 1.940 179.525 177.584 0.001 0.000 1.174 109 A CA 1.335 53.373 52.037 0.001 0.000 0.750 109 A CB -1.160 17.841 19.000 0.001 0.000 0.780 109 A HN 1.899 nan 8.150 nan 0.000 0.478 110 G N -1.910 106.890 108.800 0.001 0.000 2.225 110 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.254 110 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.254 110 G C 0.406 175.307 174.900 0.002 0.000 0.988 110 G CA 0.402 45.502 45.100 0.001 0.000 0.625 110 G HN 0.439 nan 8.290 nan 0.000 0.527 111 M N 0.521 120.122 119.600 0.002 0.000 2.184 111 M HA 0.153 4.633 4.480 -0.000 0.000 0.296 111 M C 0.882 177.184 176.300 0.004 0.000 1.165 111 M CA -0.061 55.241 55.300 0.003 0.000 1.175 111 M CB 0.080 32.681 32.600 0.003 0.000 1.392 111 M HN 0.274 nan 8.290 nan 0.000 0.457 112 N N 1.207 119.909 118.700 0.004 0.000 2.514 112 N HA 0.174 4.914 4.740 -0.000 0.000 0.277 112 N C -2.291 173.223 175.510 0.006 0.000 1.126 112 N CA -1.534 51.519 53.050 0.005 0.000 0.978 112 N CB 1.506 39.995 38.487 0.004 0.000 1.106 112 N HN 0.201 nan 8.380 nan 0.000 0.461 113 P HA 0.007 nan 4.420 nan 0.000 0.214 113 P C 1.662 178.968 177.300 0.009 0.000 1.162 113 P CA 1.136 64.242 63.100 0.009 0.000 0.874 113 P CB 0.208 31.915 31.700 0.012 0.000 0.784 114 M N -0.495 119.110 119.600 0.009 0.000 2.346 114 M HA -0.150 4.330 4.480 -0.000 0.000 0.263 114 M C 1.205 177.508 176.300 0.006 0.000 1.064 114 M CA 1.570 56.875 55.300 0.008 0.000 1.083 114 M CB -1.431 31.174 32.600 0.008 0.000 1.399 114 M HN 0.040 nan 8.290 nan 0.000 0.435 115 D N -0.213 120.191 120.400 0.006 0.000 2.201 115 D HA 0.047 4.687 4.640 -0.000 0.000 0.209 115 D C 2.249 178.551 176.300 0.004 0.000 0.961 115 D CA 0.592 54.594 54.000 0.004 0.000 0.861 115 D CB 0.137 40.939 40.800 0.004 0.000 0.997 115 D HN 0.304 nan 8.370 nan 0.000 0.486 116 L N 1.263 122.489 121.223 0.005 0.000 2.043 116 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 116 L C 2.571 179.444 176.870 0.005 0.000 1.075 116 L CA 1.249 56.092 54.840 0.005 0.000 0.752 116 L CB -0.345 41.718 42.059 0.006 0.000 0.891 116 L HN 0.021 nan 8.230 nan 0.000 0.432 117 K N 0.529 120.933 120.400 0.006 0.000 1.969 117 K HA -0.262 4.058 4.320 -0.000 0.000 0.216 117 K C 2.298 178.901 176.600 0.004 0.000 1.048 117 K CA 1.724 58.015 56.287 0.006 0.000 0.948 117 K CB -0.181 32.324 32.500 0.007 0.000 0.726 117 K HN 0.026 nan 8.250 nan 0.000 0.442 118 R N -0.237 120.265 120.500 0.003 0.000 2.133 118 R HA -0.150 4.190 4.340 -0.000 0.000 0.247 118 R C 2.297 178.598 176.300 0.001 0.000 1.151 118 R CA 1.855 57.956 56.100 0.001 0.000 0.971 118 R CB -0.662 29.639 30.300 0.002 0.000 0.866 118 R HN 0.520 nan 8.270 nan 0.000 0.447 119 G N 0.329 109.130 108.800 0.002 0.000 2.422 119 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.218 119 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.218 119 G C 1.400 176.301 174.900 0.001 0.000 1.146 119 G CA 0.804 45.905 45.100 0.002 0.000 0.769 119 G HN 0.283 nan 8.290 nan 0.000 0.547 120 I N 0.808 121.379 120.570 0.002 0.000 2.233 120 I HA -0.081 4.089 4.170 -0.000 0.000 0.243 120 I C 2.100 178.216 176.117 -0.001 0.000 1.093 120 I CA 0.981 62.282 61.300 0.002 0.000 1.380 120 I CB -0.109 37.894 38.000 0.004 0.000 1.067 120 I HN 0.026 nan 8.210 nan 0.000 0.413 121 D N 0.803 121.202 120.400 -0.002 0.000 2.218 121 D HA -0.204 4.436 4.640 -0.000 0.000 0.204 121 D C 1.995 178.290 176.300 -0.008 0.000 0.976 121 D CA 1.093 55.088 54.000 -0.007 0.000 0.853 121 D CB -0.110 40.686 40.800 -0.007 0.000 0.939 121 D HN 0.321 nan 8.370 nan 0.000 0.481 122 K N 0.869 121.267 120.400 -0.005 0.000 2.007 122 K HA -0.019 4.301 4.320 -0.000 0.000 0.206 122 K C 2.079 178.676 176.600 -0.004 0.000 1.047 122 K CA 1.119 57.404 56.287 -0.004 0.000 0.937 122 K CB -0.075 32.424 32.500 -0.002 0.000 0.718 122 K HN -0.032 nan 8.250 nan 0.000 0.438 123 A N 0.671 123.489 122.820 -0.002 0.000 1.986 123 A HA -0.140 4.180 4.320 -0.000 0.000 0.220 123 A C 2.160 179.743 177.584 -0.003 0.000 1.171 123 A CA 1.851 53.887 52.037 -0.001 0.000 0.640 123 A CB -0.592 18.409 19.000 0.001 0.000 0.811 123 A HN 0.216 nan 8.150 nan 0.000 0.451 124 V N -1.643 118.268 119.914 -0.006 0.000 2.331 124 V HA -0.148 3.972 4.120 -0.000 0.000 0.242 124 V C 2.616 178.701 176.094 -0.014 0.000 1.034 124 V CA 2.171 64.465 62.300 -0.011 0.000 1.027 124 V CB -1.117 30.697 31.823 -0.016 0.000 0.667 124 V HN 0.541 nan 8.190 nan 0.000 0.457 125 T N 0.340 114.885 114.554 -0.016 0.000 2.714 125 T HA -0.282 4.068 4.350 -0.000 0.000 0.268 125 T C 1.901 176.594 174.700 -0.011 0.000 1.036 125 T CA 2.024 64.114 62.100 -0.016 0.000 1.148 125 T CB -0.304 68.555 68.868 -0.014 0.000 0.856 125 T HN 0.568 nan 8.240 nan 0.000 0.462 126 A N 0.857 123.673 122.820 -0.007 0.000 1.855 126 A HA 0.328 4.648 4.320 -0.000 0.000 0.213 126 A C 2.648 180.231 177.584 -0.003 0.000 1.195 126 A CA 1.614 53.648 52.037 -0.004 0.000 0.610 126 A CB -1.147 17.852 19.000 -0.001 0.000 0.837 126 A HN 0.510 nan 8.150 nan 0.000 0.444 127 A N -0.418 122.400 122.820 -0.002 0.000 1.986 127 A HA -0.051 4.269 4.320 -0.000 0.000 0.220 127 A C 2.177 179.760 177.584 -0.002 0.000 1.171 127 A CA 1.914 53.951 52.037 -0.000 0.000 0.640 127 A CB -0.874 18.126 19.000 0.000 0.000 0.811 127 A HN 0.399 nan 8.150 nan 0.000 0.451 128 V N -0.026 119.883 119.914 -0.008 0.000 2.427 128 V HA -0.171 3.949 4.120 -0.000 0.000 0.248 128 V C 2.513 178.603 176.094 -0.006 0.000 1.051 128 V CA 1.991 64.284 62.300 -0.011 0.000 1.048 128 V CB -0.585 31.225 31.823 -0.022 0.000 0.666 128 V HN 0.516 nan 8.190 nan 0.000 0.456 129 E N 0.004 120.201 120.200 -0.005 0.000 2.072 129 E HA -0.192 4.158 4.350 -0.000 0.000 0.190 129 E C 2.160 178.761 176.600 0.002 0.000 0.982 129 E CA 0.887 57.285 56.400 -0.002 0.000 0.803 129 E CB -0.163 29.536 29.700 -0.002 0.000 0.755 129 E HN 0.591 nan 8.360 nan 0.000 0.453 130 E N 0.442 120.643 120.200 0.003 0.000 2.401 130 E HA -0.112 4.238 4.350 -0.000 0.000 0.199 130 E C 1.633 178.238 176.600 0.009 0.000 1.023 130 E CA 0.229 56.633 56.400 0.007 0.000 0.859 130 E CB -0.016 29.688 29.700 0.008 0.000 0.780 130 E HN 0.054 nan 8.360 nan 0.000 0.523 131 L N -0.191 121.036 121.223 0.007 0.000 2.357 131 L HA 0.151 4.491 4.340 -0.000 0.000 0.211 131 L C 1.645 178.520 176.870 0.009 0.000 1.075 131 L CA 1.055 55.900 54.840 0.009 0.000 0.830 131 L CB 0.045 42.107 42.059 0.006 0.000 0.996 131 L HN -0.096 nan 8.230 nan 0.000 0.467 132 K N -0.537 119.866 120.400 0.006 0.000 2.147 132 K HA -0.055 4.265 4.320 -0.000 0.000 0.205 132 K C 1.973 178.578 176.600 0.008 0.000 1.049 132 K CA 1.127 57.417 56.287 0.006 0.000 0.936 132 K CB -0.167 32.336 32.500 0.004 0.000 0.722 132 K HN 0.390 nan 8.250 nan 0.000 0.446 133 A N 1.230 124.056 122.820 0.009 0.000 1.929 133 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 133 A C 1.993 179.585 177.584 0.014 0.000 1.176 133 A CA 0.792 52.835 52.037 0.011 0.000 0.628 133 A CB -0.369 18.637 19.000 0.010 0.000 0.816 133 A HN 0.239 nan 8.150 nan 0.000 0.444 134 L N -0.120 121.113 121.223 0.016 0.000 2.376 134 L HA 0.016 4.356 4.340 -0.000 0.000 0.219 134 L C 1.271 178.153 176.870 0.019 0.000 1.133 134 L CA 0.428 55.280 54.840 0.020 0.000 0.816 134 L CB -0.057 42.015 42.059 0.023 0.000 0.933 134 L HN 0.360 nan 8.230 nan 0.000 0.449 135 S N 0.178 115.887 115.700 0.015 0.000 2.509 135 S HA 0.082 4.552 4.470 -0.000 0.000 0.287 135 S C -0.045 174.564 174.600 0.014 0.000 1.248 135 S CA -0.563 57.646 58.200 0.014 0.000 1.089 135 S CB 0.236 63.444 63.200 0.012 0.000 0.900 135 S HN 0.069 nan 8.310 nan 0.000 0.496 136 V N 9.361 129.284 119.914 0.015 0.000 2.455 136 V HA 0.250 4.370 4.120 -0.000 0.000 0.273 136 V C -1.692 174.409 176.094 0.012 0.000 1.045 136 V CA -1.574 60.735 62.300 0.014 0.000 0.976 136 V CB 0.531 32.363 31.823 0.015 0.000 0.993 136 V HN 0.758 nan 8.190 nan 0.000 0.475 137 P HA 0.086 nan 4.420 nan 0.000 0.271 137 P C -0.439 176.866 177.300 0.009 0.000 1.233 137 P CA -0.131 62.975 63.100 0.010 0.000 0.795 137 P CB 0.340 32.046 31.700 0.009 0.000 0.936 138 C N 0.824 120.129 119.300 0.009 0.000 3.212 138 C HA 0.397 4.857 4.460 -0.000 0.000 0.367 138 C C 0.782 175.776 174.990 0.007 0.000 0.979 138 C CA 0.065 59.088 59.018 0.008 0.000 1.283 138 C CB -1.211 26.534 27.740 0.009 0.000 1.644 138 C HN 0.538 nan 8.230 nan 0.000 0.575 139 S N 1.340 117.044 115.700 0.006 0.000 2.741 139 S HA 0.149 4.619 4.470 -0.000 0.000 0.245 139 S C 0.195 174.797 174.600 0.004 0.000 1.083 139 S CA 0.169 58.372 58.200 0.005 0.000 0.873 139 S CB 0.074 63.277 63.200 0.005 0.000 0.814 139 S HN 0.941 nan 8.310 nan 0.000 0.476 140 D N 2.527 122.929 120.400 0.004 0.000 2.425 140 D HA 0.053 4.693 4.640 -0.000 0.000 0.247 140 D C 0.943 177.245 176.300 0.002 0.000 1.147 140 D CA 0.213 54.215 54.000 0.003 0.000 0.879 140 D CB 1.062 41.864 40.800 0.003 0.000 1.179 140 D HN 0.221 nan 8.370 nan 0.000 0.456 141 S N 1.589 117.290 115.700 0.001 0.000 2.559 141 S HA -0.259 4.211 4.470 -0.000 0.000 0.250 141 S C 1.400 176.000 174.600 0.000 0.000 0.977 141 S CA 0.853 59.053 58.200 -0.000 0.000 0.958 141 S CB -0.355 62.844 63.200 -0.001 0.000 0.751 141 S HN 0.638 nan 8.310 nan 0.000 0.534 142 K N 0.764 121.165 120.400 0.001 0.000 2.243 142 K HA 0.211 4.531 4.320 -0.000 0.000 0.201 142 K C 2.078 178.679 176.600 0.002 0.000 1.051 142 K CA 0.798 57.086 56.287 0.001 0.000 0.970 142 K CB -0.374 32.127 32.500 0.002 0.000 0.755 142 K HN 0.453 nan 8.250 nan 0.000 0.465 143 A N 1.127 123.949 122.820 0.003 0.000 1.911 143 A HA 0.061 4.381 4.320 -0.000 0.000 0.212 143 A C 1.959 179.545 177.584 0.003 0.000 1.189 143 A CA 0.433 52.472 52.037 0.003 0.000 0.639 143 A CB -0.359 18.644 19.000 0.005 0.000 0.839 143 A HN 0.230 nan 8.150 nan 0.000 0.449 144 I N 0.325 120.896 120.570 0.002 0.000 2.091 144 I HA -0.361 3.809 4.170 -0.000 0.000 0.239 144 I C 2.910 179.027 176.117 0.001 0.000 1.061 144 I CA 1.446 62.747 61.300 0.001 0.000 1.317 144 I CB -0.368 37.631 38.000 -0.001 0.000 1.031 144 I HN 0.352 nan 8.210 nan 0.000 0.401 145 A N -0.327 122.493 122.820 -0.000 0.000 2.131 145 A HA -0.287 4.033 4.320 -0.000 0.000 0.220 145 A C 2.150 179.734 177.584 -0.000 0.000 1.158 145 A CA 2.108 54.145 52.037 -0.001 0.000 0.665 145 A CB -0.547 18.452 19.000 -0.001 0.000 0.795 145 A HN 0.557 nan 8.150 nan 0.000 0.460 146 Q N -0.878 118.923 119.800 0.001 0.000 2.259 146 Q HA 0.029 4.369 4.340 -0.000 0.000 0.201 146 Q C 1.742 177.742 176.000 0.001 0.000 0.938 146 Q CA 1.488 57.291 55.803 0.001 0.000 0.872 146 Q CB -0.166 28.573 28.738 0.002 0.000 0.971 146 Q HN 0.281 nan 8.270 nan 0.000 0.494 147 V N 0.319 120.235 119.914 0.003 0.000 2.307 147 V HA -0.116 4.004 4.120 -0.000 0.000 0.245 147 V C 2.233 178.330 176.094 0.005 0.000 1.045 147 V CA 1.850 64.153 62.300 0.005 0.000 1.024 147 V CB -1.270 30.557 31.823 0.007 0.000 0.651 147 V HN 0.598 nan 8.190 nan 0.000 0.449 148 G N -0.474 108.329 108.800 0.004 0.000 2.450 148 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.220 148 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.220 148 G C 1.678 176.580 174.900 0.003 0.000 1.130 148 G CA 1.703 46.806 45.100 0.005 0.000 0.760 148 G HN 0.472 nan 8.290 nan 0.000 0.557 149 T N 1.260 115.815 114.554 0.001 0.000 2.668 149 T HA -0.025 4.325 4.350 -0.000 0.000 0.262 149 T C 2.408 177.108 174.700 -0.001 0.000 1.045 149 T CA 0.999 63.099 62.100 -0.001 0.000 1.152 149 T CB -0.202 68.665 68.868 -0.002 0.000 0.864 149 T HN 0.259 nan 8.240 nan 0.000 0.419 150 I N 1.210 121.779 120.570 -0.002 0.000 2.315 150 I HA -0.121 4.049 4.170 -0.000 0.000 0.251 150 I C 1.390 177.505 176.117 -0.003 0.000 1.125 150 I CA 0.852 62.149 61.300 -0.004 0.000 1.392 150 I CB -0.313 37.684 38.000 -0.005 0.000 1.065 150 I HN 0.062 nan 8.210 nan 0.000 0.424 151 S N 1.274 116.975 115.700 0.002 0.000 3.456 151 S HA 0.494 4.964 4.470 -0.000 0.000 0.229 151 S C 0.456 175.060 174.600 0.006 0.000 1.416 151 S CA 0.268 58.472 58.200 0.006 0.000 1.197 151 S CB -0.134 63.074 63.200 0.014 0.000 1.201 151 S HN 0.473 nan 8.310 nan 0.000 0.479 152 A N 1.630 124.451 122.820 0.001 0.000 2.297 152 A HA 0.373 4.693 4.320 -0.000 0.000 0.230 152 A C 0.331 177.913 177.584 -0.003 0.000 2.091 152 A CA -0.871 51.166 52.037 0.001 0.000 1.861 152 A CB -0.955 18.047 19.000 0.003 0.000 0.755 152 A HN 0.349 nan 8.150 nan 0.000 0.905 153 N N 0.713 119.410 118.700 -0.006 0.000 2.666 153 N HA -0.218 4.522 4.740 -0.000 0.000 0.248 153 N C 0.414 175.919 175.510 -0.009 0.000 1.118 153 N CA 1.717 54.761 53.050 -0.009 0.000 0.722 153 N CB -1.017 37.465 38.487 -0.009 0.000 1.050 153 N HN 1.218 nan 8.380 nan 0.000 0.550 154 S N -1.790 113.905 115.700 -0.008 0.000 3.867 154 S HA -0.193 4.277 4.470 -0.000 0.000 0.334 154 S C -0.454 174.143 174.600 -0.006 0.000 1.069 154 S CA 0.573 58.769 58.200 -0.007 0.000 0.977 154 S CB -0.829 62.366 63.200 -0.009 0.000 0.889 154 S HN 0.595 nan 8.310 nan 0.000 0.484 155 D N 1.438 121.835 120.400 -0.004 0.000 2.468 155 D HA 0.193 4.833 4.640 -0.000 0.000 0.218 155 D C 1.149 177.448 176.300 -0.003 0.000 1.155 155 D CA -0.347 53.651 54.000 -0.003 0.000 0.924 155 D CB 0.416 41.214 40.800 -0.003 0.000 1.029 155 D HN 0.463 nan 8.370 nan 0.000 0.515 156 E N 1.253 121.451 120.200 -0.003 0.000 2.396 156 E HA -0.129 4.221 4.350 -0.000 0.000 0.200 156 E C 1.113 177.712 176.600 -0.003 0.000 1.023 156 E CA 0.859 57.258 56.400 -0.003 0.000 0.857 156 E CB 0.371 30.069 29.700 -0.003 0.000 0.775 156 E HN 0.499 nan 8.360 nan 0.000 0.525 157 T N 0.398 114.950 114.554 -0.003 0.000 2.732 157 T HA -0.099 4.251 4.350 -0.000 0.000 0.261 157 T C 2.166 176.864 174.700 -0.003 0.000 1.040 157 T CA 0.921 63.019 62.100 -0.003 0.000 1.145 157 T CB -0.233 68.633 68.868 -0.003 0.000 0.866 157 T HN -0.009 nan 8.240 nan 0.000 0.427 158 V N 1.823 121.736 119.914 -0.003 0.000 2.231 158 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 158 V C 2.914 179.006 176.094 -0.003 0.000 1.054 158 V CA 2.181 64.480 62.300 -0.003 0.000 1.015 158 V CB -1.569 30.253 31.823 -0.001 0.000 0.638 158 V HN 0.623 nan 8.190 nan 0.000 0.444 159 G N -0.500 108.299 108.800 -0.002 0.000 2.513 159 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.219 159 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.219 159 G C 1.649 176.547 174.900 -0.003 0.000 1.160 159 G CA 1.391 46.490 45.100 -0.002 0.000 0.767 159 G HN 0.524 nan 8.290 nan 0.000 0.571 160 K N -0.062 120.336 120.400 -0.003 0.000 2.026 160 K HA 0.042 4.362 4.320 -0.000 0.000 0.208 160 K C 2.526 179.123 176.600 -0.005 0.000 1.048 160 K CA 0.976 57.261 56.287 -0.004 0.000 0.929 160 K CB -0.330 32.168 32.500 -0.003 0.000 0.713 160 K HN 0.343 nan 8.250 nan 0.000 0.439 161 L N 1.138 122.357 121.223 -0.006 0.000 2.013 161 L HA -0.245 4.095 4.340 -0.000 0.000 0.212 161 L C 2.408 179.273 176.870 -0.010 0.000 1.073 161 L CA 1.423 56.258 54.840 -0.007 0.000 0.753 161 L CB -0.271 41.783 42.059 -0.007 0.000 0.890 161 L HN 0.325 nan 8.230 nan 0.000 0.432 162 I N -0.658 119.906 120.570 -0.010 0.000 2.127 162 I HA -0.338 3.832 4.170 -0.000 0.000 0.241 162 I C 2.782 178.892 176.117 -0.012 0.000 1.075 162 I CA 1.285 62.577 61.300 -0.013 0.000 1.334 162 I CB -0.588 37.404 38.000 -0.012 0.000 1.040 162 I HN 0.288 nan 8.210 nan 0.000 0.405 163 A N 0.745 123.560 122.820 -0.008 0.000 1.873 163 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 163 A C 2.173 179.753 177.584 -0.007 0.000 1.193 163 A CA 2.123 54.156 52.037 -0.007 0.000 0.629 163 A CB -0.863 18.134 19.000 -0.004 0.000 0.826 163 A HN 0.504 nan 8.150 nan 0.000 0.447 164 E N -0.377 119.819 120.200 -0.007 0.000 2.171 164 E HA -0.179 4.171 4.350 -0.000 0.000 0.197 164 E C 2.231 178.826 176.600 -0.008 0.000 0.997 164 E CA 0.993 57.389 56.400 -0.007 0.000 0.810 164 E CB -0.309 29.387 29.700 -0.007 0.000 0.738 164 E HN 0.667 nan 8.360 nan 0.000 0.467 165 A N 1.309 124.123 122.820 -0.011 0.000 1.840 165 A HA -0.116 4.204 4.320 -0.000 0.000 0.214 165 A C 2.178 179.754 177.584 -0.013 0.000 1.198 165 A CA 1.010 53.039 52.037 -0.013 0.000 0.608 165 A CB -0.438 18.552 19.000 -0.018 0.000 0.839 165 A HN 0.092 nan 8.150 nan 0.000 0.443 166 M N -0.359 119.233 119.600 -0.014 0.000 2.260 166 M HA -0.208 4.272 4.480 -0.000 0.000 0.261 166 M C 1.721 178.016 176.300 -0.009 0.000 1.066 166 M CA 1.996 57.289 55.300 -0.012 0.000 1.082 166 M CB -0.639 31.954 32.600 -0.011 0.000 1.388 166 M HN 0.589 nan 8.290 nan 0.000 0.419 167 D N 0.506 120.901 120.400 -0.008 0.000 2.183 167 D HA -0.110 4.530 4.640 -0.000 0.000 0.203 167 D C 1.827 178.123 176.300 -0.006 0.000 0.969 167 D CA 1.226 55.222 54.000 -0.006 0.000 0.842 167 D CB 0.184 40.981 40.800 -0.005 0.000 0.957 167 D HN 0.231 nan 8.370 nan 0.000 0.484 168 K N -0.616 119.780 120.400 -0.007 0.000 2.186 168 K HA 0.008 4.328 4.320 -0.000 0.000 0.202 168 K C 1.627 178.223 176.600 -0.007 0.000 1.052 168 K CA 1.161 57.444 56.287 -0.007 0.000 0.965 168 K CB 0.568 33.063 32.500 -0.008 0.000 0.746 168 K HN 0.214 nan 8.250 nan 0.000 0.457 169 V N -3.334 116.575 119.914 -0.008 0.000 3.477 169 V HA 0.390 4.510 4.120 -0.000 0.000 0.297 169 V C 0.456 176.546 176.094 -0.007 0.000 1.433 169 V CA -0.077 62.218 62.300 -0.008 0.000 1.052 169 V CB 0.014 31.831 31.823 -0.011 0.000 0.895 169 V HN 0.294 nan 8.190 nan 0.000 0.438 170 G N 1.305 110.101 108.800 -0.007 0.000 2.712 170 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.686 170 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.686 170 G C 0.037 174.933 174.900 -0.007 0.000 1.321 170 G CA 0.002 45.099 45.100 -0.005 0.000 0.813 170 G HN 0.288 nan 8.290 nan 0.000 0.599 171 K N 0.075 120.473 120.400 -0.005 0.000 2.211 171 K HA -0.075 4.245 4.320 -0.000 0.000 0.204 171 K C 1.671 178.268 176.600 -0.006 0.000 1.047 171 K CA 1.676 57.961 56.287 -0.005 0.000 0.935 171 K CB 0.018 32.517 32.500 -0.001 0.000 0.728 171 K HN 0.508 nan 8.250 nan 0.000 0.452 172 E N 0.315 120.513 120.200 -0.004 0.000 2.474 172 E HA 0.050 4.400 4.350 -0.000 0.000 0.195 172 E C 1.084 177.681 176.600 -0.006 0.000 1.039 172 E CA 0.042 56.440 56.400 -0.003 0.000 0.881 172 E CB 0.192 29.893 29.700 0.002 0.000 0.970 172 E HN 0.283 nan 8.360 nan 0.000 0.486 173 G N 1.205 110.000 108.800 -0.009 0.000 2.518 173 G HA2 0.191 4.151 3.960 -0.000 0.000 0.284 173 G HA3 0.191 4.151 3.960 -0.000 0.000 0.284 173 G C 0.028 174.918 174.900 -0.018 0.000 1.362 173 G CA -0.216 44.878 45.100 -0.011 0.000 1.065 173 G HN 0.033 nan 8.290 nan 0.000 0.561 174 V N -0.101 119.800 119.914 -0.021 0.000 2.443 174 V HA 0.481 4.601 4.120 -0.000 0.000 0.293 174 V C -0.299 175.774 176.094 -0.035 0.000 1.021 174 V CA -0.505 61.777 62.300 -0.030 0.000 0.848 174 V CB 1.236 33.045 31.823 -0.024 0.000 0.998 174 V HN 0.515 nan 8.190 nan 0.000 0.424 175 I N 3.444 123.984 120.570 -0.050 0.000 2.389 175 I HA 0.562 4.732 4.170 -0.000 0.000 0.288 175 I C 0.096 176.178 176.117 -0.058 0.000 0.999 175 I CA -0.118 61.152 61.300 -0.050 0.000 1.129 175 I CB 2.134 40.101 38.000 -0.055 0.000 1.288 175 I HN 0.550 nan 8.210 nan 0.000 0.444 176 T N 5.328 119.856 114.554 -0.044 0.000 2.888 176 T HA 0.571 4.921 4.350 -0.000 0.000 0.284 176 T C -0.349 174.331 174.700 -0.033 0.000 1.017 176 T CA -0.519 61.556 62.100 -0.041 0.000 1.022 176 T CB 2.338 71.186 68.868 -0.033 0.000 1.013 176 T HN 0.190 nan 8.240 nan 0.000 0.465 177 V N 3.160 123.057 119.914 -0.029 0.000 2.448 177 V HA 0.505 4.625 4.120 -0.000 0.000 0.295 177 V C -0.098 175.988 176.094 -0.014 0.000 1.025 177 V CA -0.716 61.572 62.300 -0.020 0.000 0.859 177 V CB 1.603 33.415 31.823 -0.018 0.000 0.988 177 V HN 0.874 nan 8.190 nan 0.000 0.431 178 E N 1.893 122.086 120.200 -0.012 0.000 2.428 178 E HA 0.454 4.804 4.350 -0.000 0.000 0.259 178 E C -1.420 175.175 176.600 -0.007 0.000 0.930 178 E CA -1.077 55.317 56.400 -0.010 0.000 0.823 178 E CB 1.514 31.207 29.700 -0.011 0.000 1.403 178 E HN 0.571 nan 8.360 nan 0.000 0.415 179 D N 0.503 120.900 120.400 -0.006 0.000 2.341 179 D HA 0.253 4.893 4.640 -0.000 0.000 0.245 179 D C -0.031 176.266 176.300 -0.006 0.000 1.106 179 D CA 0.085 54.082 54.000 -0.005 0.000 0.905 179 D CB 1.291 42.088 40.800 -0.005 0.000 1.202 179 D HN 0.465 nan 8.370 nan 0.000 0.426 180 G N -0.680 108.117 108.800 -0.005 0.000 2.504 180 G HA2 0.313 4.273 3.960 -0.000 0.000 0.288 180 G HA3 0.313 4.273 3.960 -0.000 0.000 0.288 180 G C 0.677 175.574 174.900 -0.005 0.000 1.182 180 G CA -0.502 44.595 45.100 -0.006 0.000 0.894 180 G HN 0.418 nan 8.290 nan 0.000 0.521 181 T N -2.332 112.219 114.554 -0.006 0.000 3.273 181 T HA 0.541 4.891 4.350 -0.000 0.000 0.254 181 T C 0.986 175.683 174.700 -0.005 0.000 1.002 181 T CA 0.507 62.603 62.100 -0.005 0.000 0.913 181 T CB -0.372 68.492 68.868 -0.006 0.000 1.056 181 T HN 1.896 nan 8.240 nan 0.000 0.576 182 G N 0.850 109.648 108.800 -0.004 0.000 2.278 182 G HA2 0.175 4.135 3.960 -0.000 0.000 0.265 182 G HA3 0.175 4.135 3.960 -0.000 0.000 0.265 182 G C -1.439 173.458 174.900 -0.003 0.000 1.329 182 G CA -0.633 44.465 45.100 -0.004 0.000 1.017 182 G HN 0.391 nan 8.290 nan 0.000 0.472 183 L N 0.806 122.027 121.223 -0.003 0.000 2.464 183 L HA 0.617 4.957 4.340 -0.000 0.000 0.264 183 L C 0.379 177.247 176.870 -0.003 0.000 1.199 183 L CA 0.722 55.560 54.840 -0.003 0.000 0.818 183 L CB 0.405 42.463 42.059 -0.003 0.000 1.102 183 L HN 1.030 nan 8.230 nan 0.000 0.473 184 Q N 1.995 121.793 119.800 -0.003 0.000 3.215 184 Q HA -0.092 4.248 4.340 -0.000 0.000 0.034 184 Q C -1.474 174.523 176.000 -0.004 0.000 1.698 184 Q CA 0.280 56.081 55.803 -0.004 0.000 0.248 184 Q CB -0.256 28.480 28.738 -0.004 0.000 0.583 184 Q HN 0.654 nan 8.270 nan 0.000 0.322 185 D N 2.511 122.908 120.400 -0.005 0.000 2.253 185 D HA 0.371 5.011 4.640 -0.000 0.000 0.249 185 D C -0.208 176.089 176.300 -0.006 0.000 1.049 185 D CA -0.174 53.822 54.000 -0.005 0.000 0.929 185 D CB 1.085 41.882 40.800 -0.005 0.000 1.176 185 D HN 0.322 nan 8.370 nan 0.000 0.437 186 E N 0.097 120.293 120.200 -0.007 0.000 2.317 186 E HA 0.594 4.944 4.350 -0.000 0.000 0.270 186 E C -1.153 175.443 176.600 -0.008 0.000 0.885 186 E CA -0.935 55.461 56.400 -0.007 0.000 0.760 186 E CB 2.715 32.411 29.700 -0.007 0.000 1.227 186 E HN 0.128 nan 8.360 nan 0.000 0.434 187 L N 2.448 123.666 121.223 -0.008 0.000 2.513 187 L HA 0.563 4.903 4.340 -0.000 0.000 0.261 187 L C -2.224 174.641 176.870 -0.009 0.000 0.945 187 L CA -0.220 54.615 54.840 -0.009 0.000 0.848 187 L CB 2.034 44.088 42.059 -0.009 0.000 1.334 187 L HN 0.690 nan 8.230 nan 0.000 0.407 188 D N 2.798 123.192 120.400 -0.010 0.000 2.783 188 D HA 0.303 4.943 4.640 -0.000 0.000 0.253 188 D C -1.610 174.684 176.300 -0.009 0.000 1.206 188 D CA -0.412 53.583 54.000 -0.009 0.000 0.740 188 D CB 1.513 42.308 40.800 -0.008 0.000 1.313 188 D HN 0.396 nan 8.370 nan 0.000 0.427 189 V N 0.113 120.022 119.914 -0.008 0.000 2.532 189 V HA 0.644 4.764 4.120 -0.000 0.000 0.295 189 V C 0.513 176.603 176.094 -0.007 0.000 1.041 189 V CA -0.635 61.660 62.300 -0.008 0.000 0.926 189 V CB 1.289 33.108 31.823 -0.007 0.000 0.992 189 V HN 0.628 nan 8.190 nan 0.000 0.457 190 V N 0.671 120.581 119.914 -0.006 0.000 2.962 190 V HA 0.639 4.759 4.120 -0.000 0.000 0.313 190 V C -0.298 175.795 176.094 -0.002 0.000 1.099 190 V CA -1.060 61.237 62.300 -0.005 0.000 0.971 190 V CB 2.080 33.899 31.823 -0.007 0.000 1.028 190 V HN 0.709 nan 8.190 nan 0.000 0.430 191 E N 2.296 122.496 120.200 0.000 0.000 2.406 191 E HA 0.444 4.794 4.350 -0.000 0.000 0.247 191 E C 0.349 176.954 176.600 0.008 0.000 1.160 191 E CA 0.909 57.312 56.400 0.005 0.000 0.950 191 E CB 0.498 30.201 29.700 0.005 0.000 0.993 191 E HN 1.105 nan 8.360 nan 0.000 0.472 192 G N 1.598 110.405 108.800 0.012 0.000 2.827 192 G HA2 0.728 4.688 3.960 -0.000 0.000 0.296 192 G HA3 0.728 4.688 3.960 -0.000 0.000 0.296 192 G C -1.001 173.917 174.900 0.030 0.000 1.362 192 G CA -0.594 44.517 45.100 0.018 0.000 0.809 192 G HN 0.394 nan 8.290 nan 0.000 0.522 193 M N -0.608 119.017 119.600 0.042 0.000 2.732 193 M HA 0.580 5.060 4.480 -0.000 0.000 0.272 193 M C -2.397 173.939 176.300 0.061 0.000 1.203 193 M CA -0.686 54.655 55.300 0.070 0.000 0.841 193 M CB 2.464 35.134 32.600 0.117 0.000 1.685 193 M HN 0.699 nan 8.290 nan 0.000 0.492 194 Q N 2.909 122.757 119.800 0.080 0.000 2.280 194 Q HA 0.531 4.871 4.340 -0.000 0.000 0.259 194 Q C -2.285 173.765 176.000 0.082 0.000 0.964 194 Q CA -0.634 55.160 55.803 -0.016 0.000 0.844 194 Q CB 1.662 30.361 28.738 -0.066 0.000 1.334 194 Q HN 0.591 nan 8.270 nan 0.000 0.423 195 F N 0.164 120.112 119.950 -0.003 0.000 2.575 195 F HA 0.578 5.105 4.527 -0.000 0.000 0.330 195 F C -0.167 175.631 175.800 -0.003 0.000 1.056 195 F CA -1.230 56.770 58.000 -0.001 0.000 0.964 195 F CB 0.936 39.936 39.000 0.001 0.000 1.258 195 F HN 0.296 nan 8.300 nan 0.000 0.484 196 D N 2.623 123.140 120.400 0.196 0.000 2.713 196 D HA 0.162 4.802 4.640 -0.000 0.000 0.229 196 D C -0.220 176.143 176.300 0.104 0.000 1.136 196 D CA 0.176 54.227 54.000 0.085 0.000 1.010 196 D CB -0.008 40.836 40.800 0.073 0.000 1.084 196 D HN 0.252 nan 8.370 nan 0.000 0.495 197 R N 0.248 120.797 120.500 0.081 0.000 2.628 197 R HA 0.557 4.897 4.340 -0.000 0.000 0.288 197 R C 0.343 176.611 176.300 -0.052 0.000 0.980 197 R CA -0.737 55.414 56.100 0.085 0.000 0.891 197 R CB 2.269 32.740 30.300 0.286 0.000 1.188 197 R HN 0.194 nan 8.270 nan 0.000 0.450 198 G N 1.036 109.771 108.800 -0.108 0.000 2.531 198 G HA2 0.426 4.386 3.960 -0.000 0.000 0.313 198 G HA3 0.426 4.386 3.960 -0.000 0.000 0.313 198 G C -0.672 174.111 174.900 -0.195 0.000 1.238 198 G CA -0.553 44.389 45.100 -0.263 0.000 0.994 198 G HN 0.458 nan 8.290 nan 0.000 0.493 199 Y N -1.192 119.114 120.300 0.010 0.000 2.578 199 Y HA 0.285 4.835 4.550 -0.000 0.000 0.339 199 Y C 1.160 177.103 175.900 0.071 0.000 1.231 199 Y CA -1.054 57.053 58.100 0.012 0.000 1.461 199 Y CB 0.437 38.940 38.460 0.071 0.000 1.323 199 Y HN 0.169 nan 8.280 nan 0.000 0.590 200 L N 2.174 123.556 121.223 0.265 0.000 2.675 200 L HA 0.114 4.454 4.340 -0.000 0.000 0.239 200 L C 0.445 177.565 176.870 0.417 0.000 1.151 200 L CA 0.729 55.729 54.840 0.266 0.000 0.905 200 L CB -0.574 41.599 42.059 0.191 0.000 1.057 200 L HN 0.850 nan 8.230 nan 0.000 0.435 201 S N -2.043 114.028 115.700 0.617 0.000 2.754 201 S HA 0.231 4.701 4.470 -0.000 0.000 0.302 201 S C -2.633 172.163 174.600 0.327 0.000 0.922 201 S CA -0.932 57.556 58.200 0.479 0.000 0.822 201 S CB 1.078 64.507 63.200 0.383 0.000 1.020 201 S HN -0.205 nan 8.310 nan 0.000 0.475 202 P HA 0.340 nan 4.420 nan 0.000 0.335 202 P C 0.319 177.456 177.300 -0.272 0.000 1.416 202 P CA 0.673 63.497 63.100 -0.460 0.000 0.828 202 P CB -0.015 31.387 31.700 -0.496 0.000 1.966 203 Y N -4.660 115.498 120.300 -0.236 0.000 2.742 203 Y HA -0.336 4.214 4.550 -0.000 0.000 0.485 203 Y C 1.992 177.762 175.900 -0.216 0.000 1.119 203 Y CA 1.697 59.650 58.100 -0.244 0.000 2.917 203 Y CB -3.036 35.221 38.460 -0.339 0.000 0.951 203 Y HN 0.089 nan 8.280 nan 0.000 0.562 204 F N 0.745 120.712 119.950 0.028 0.000 2.184 204 F HA -0.183 4.344 4.527 -0.000 0.000 0.301 204 F C 1.553 177.315 175.800 -0.063 0.000 1.076 204 F CA 1.387 59.381 58.000 -0.010 0.000 1.295 204 F CB -0.844 38.149 39.000 -0.012 0.000 1.026 204 F HN 0.017 nan 8.300 nan 0.000 0.494 205 I N 1.894 122.472 120.570 0.012 0.000 2.948 205 I HA -0.215 3.955 4.170 -0.000 0.000 0.303 205 I C 0.609 176.723 176.117 -0.005 0.000 1.224 205 I CA 0.831 62.095 61.300 -0.060 0.000 1.442 205 I CB -0.005 37.888 38.000 -0.178 0.000 1.328 205 I HN 0.256 nan 8.210 nan 0.000 0.578 206 N N 2.694 121.397 118.700 0.005 0.000 2.036 206 N HA 0.075 4.815 4.740 -0.000 0.000 0.228 206 N C -0.271 175.243 175.510 0.005 0.000 1.368 206 N CA -0.335 52.723 53.050 0.012 0.000 0.846 206 N CB 0.527 39.031 38.487 0.029 0.000 1.145 206 N HN 0.391 nan 8.380 nan 0.000 0.502 207 K N 1.302 121.702 120.400 0.000 0.000 3.206 207 K HA 0.296 4.616 4.320 -0.000 0.000 0.180 207 K C -2.077 174.520 176.600 -0.004 0.000 1.088 207 K CA -1.291 54.998 56.287 0.002 0.000 0.872 207 K CB 1.751 34.257 32.500 0.010 0.000 0.976 207 K HN 0.060 nan 8.250 nan 0.000 0.564 208 P HA -0.185 nan 4.420 nan 0.000 0.223 208 P C 0.427 177.719 177.300 -0.013 0.000 1.140 208 P CA 1.171 64.257 63.100 -0.023 0.000 0.783 208 P CB 0.488 32.170 31.700 -0.029 0.000 0.759 209 E N -0.145 120.052 120.200 -0.005 0.000 2.153 209 E HA -0.101 4.249 4.350 -0.000 0.000 0.194 209 E C 1.828 178.428 176.600 0.001 0.000 0.988 209 E CA 2.025 58.424 56.400 -0.002 0.000 0.811 209 E CB -0.915 28.786 29.700 0.002 0.000 0.746 209 E HN 0.468 nan 8.360 nan 0.000 0.466 210 T N -5.101 109.458 114.554 0.008 0.000 2.975 210 T HA 0.367 4.717 4.350 -0.000 0.000 0.261 210 T C 1.310 176.024 174.700 0.024 0.000 0.984 210 T CA 0.019 62.130 62.100 0.018 0.000 0.911 210 T CB 0.710 69.599 68.868 0.036 0.000 1.127 210 T HN 0.201 nan 8.240 nan 0.000 0.514 211 G N 1.374 110.182 108.800 0.014 0.000 2.289 211 G HA2 0.230 4.190 3.960 -0.000 0.000 0.280 211 G HA3 0.230 4.190 3.960 -0.000 0.000 0.280 211 G C 0.061 174.996 174.900 0.058 0.000 1.089 211 G CA -0.048 45.061 45.100 0.015 0.000 0.939 211 G HN 1.262 nan 8.290 nan 0.000 0.499 212 A N -1.371 121.474 122.820 0.043 0.000 2.569 212 A HA 0.964 5.284 4.320 -0.000 0.000 0.290 212 A C 0.107 177.716 177.584 0.043 0.000 1.136 212 A CA -0.089 51.997 52.037 0.082 0.000 0.710 212 A CB 1.679 20.731 19.000 0.086 0.000 1.303 212 A HN 1.266 nan 8.150 nan 0.000 0.413 213 V N 0.017 119.972 119.914 0.069 0.000 3.262 213 V HA 0.718 4.838 4.120 -0.000 0.000 0.313 213 V C 0.129 176.244 176.094 0.035 0.000 1.070 213 V CA -0.274 62.057 62.300 0.052 0.000 1.049 213 V CB 1.540 33.401 31.823 0.065 0.000 1.157 213 V HN 0.969 nan 8.190 nan 0.000 0.454 214 E N 0.681 120.898 120.200 0.027 0.000 2.647 214 E HA 0.450 4.800 4.350 -0.000 0.000 0.320 214 E C -2.173 174.434 176.600 0.012 0.000 0.951 214 E CA -0.445 55.963 56.400 0.013 0.000 0.809 214 E CB 1.234 30.941 29.700 0.012 0.000 1.295 214 E HN 0.580 nan 8.360 nan 0.000 0.407 215 L N 2.949 124.173 121.223 0.002 0.000 2.386 215 L HA 0.545 4.885 4.340 -0.000 0.000 0.271 215 L C -0.371 176.489 176.870 -0.017 0.000 0.993 215 L CA -0.928 53.911 54.840 -0.001 0.000 0.819 215 L CB 2.124 44.184 42.059 0.002 0.000 1.294 215 L HN 0.481 nan 8.230 nan 0.000 0.414 216 E N 1.148 121.334 120.200 -0.022 0.000 2.174 216 E HA 0.234 4.584 4.350 -0.000 0.000 0.282 216 E C -0.092 176.469 176.600 -0.067 0.000 0.992 216 E CA -0.381 55.997 56.400 -0.037 0.000 0.803 216 E CB 1.325 31.008 29.700 -0.028 0.000 1.090 216 E HN 0.629 nan 8.360 nan 0.000 0.396 217 S N 2.353 118.003 115.700 -0.083 0.000 3.491 217 S HA -0.139 4.331 4.470 -0.000 0.000 0.371 217 S C -1.990 172.476 174.600 -0.222 0.000 0.980 217 S CA 0.345 58.462 58.200 -0.137 0.000 1.204 217 S CB -1.348 61.770 63.200 -0.135 0.000 0.915 217 S HN 0.518 nan 8.310 nan 0.000 0.482 218 P HA 0.418 nan 4.420 nan 0.000 0.277 218 P C -0.100 177.064 177.300 -0.228 0.000 1.276 218 P CA -0.454 62.552 63.100 -0.157 0.000 0.788 218 P CB 0.481 32.160 31.700 -0.035 0.000 1.114 219 F N -0.719 119.239 119.950 0.013 0.000 2.458 219 F HA 0.471 4.998 4.527 -0.000 0.000 0.330 219 F C 0.619 176.427 175.800 0.015 0.000 1.082 219 F CA -0.617 57.391 58.000 0.013 0.000 0.995 219 F CB 1.012 40.020 39.000 0.012 0.000 1.170 219 F HN 0.027 nan 8.300 nan 0.000 0.478 220 I N 4.499 125.222 120.570 0.255 0.000 2.418 220 I HA 0.283 4.453 4.170 -0.000 0.000 0.287 220 I C -1.248 174.934 176.117 0.108 0.000 1.008 220 I CA -0.967 60.419 61.300 0.143 0.000 1.104 220 I CB 1.770 39.837 38.000 0.111 0.000 1.264 220 I HN 0.238 nan 8.210 nan 0.000 0.438 221 L N 8.247 129.513 121.223 0.073 0.000 2.255 221 L HA 0.468 4.808 4.340 -0.000 0.000 0.289 221 L C -0.879 176.006 176.870 0.025 0.000 1.046 221 L CA -0.058 54.803 54.840 0.036 0.000 0.816 221 L CB 0.636 42.709 42.059 0.022 0.000 1.197 221 L HN 0.474 nan 8.230 nan 0.000 0.427 222 L N 6.366 127.597 121.223 0.014 0.000 2.283 222 L HA 0.713 5.053 4.340 -0.000 0.000 0.281 222 L C -0.117 176.749 176.870 -0.007 0.000 1.033 222 L CA -0.423 54.417 54.840 0.000 0.000 0.848 222 L CB 0.998 43.054 42.059 -0.005 0.000 1.226 222 L HN 0.793 nan 8.230 nan 0.000 0.429 223 A N 1.942 124.758 122.820 -0.007 0.000 2.335 223 A HA 0.400 4.720 4.320 -0.000 0.000 0.304 223 A C -0.805 176.774 177.584 -0.008 0.000 1.118 223 A CA -0.591 51.442 52.037 -0.007 0.000 0.757 223 A CB 1.217 20.216 19.000 -0.001 0.000 1.188 223 A HN 0.645 nan 8.150 nan 0.000 0.460 224 D N 2.760 123.154 120.400 -0.011 0.000 2.435 224 D HA 0.459 5.099 4.640 -0.000 0.000 0.230 224 D C -0.069 176.229 176.300 -0.002 0.000 1.215 224 D CA 0.396 54.389 54.000 -0.011 0.000 0.947 224 D CB -0.430 40.361 40.800 -0.016 0.000 1.048 224 D HN 0.631 nan 8.370 nan 0.000 0.512 225 K N 0.618 121.020 120.400 0.004 0.000 3.076 225 K HA 0.200 4.520 4.320 -0.000 0.000 0.314 225 K C -1.232 175.377 176.600 0.015 0.000 1.113 225 K CA -1.160 55.132 56.287 0.009 0.000 0.860 225 K CB 0.372 32.876 32.500 0.007 0.000 1.435 225 K HN -0.049 nan 8.250 nan 0.000 0.374 226 K N 0.825 121.236 120.400 0.018 0.000 2.098 226 K HA 0.525 4.845 4.320 -0.000 0.000 0.257 226 K C -0.518 176.095 176.600 0.023 0.000 0.999 226 K CA -0.585 55.716 56.287 0.023 0.000 0.924 226 K CB 0.745 33.260 32.500 0.025 0.000 1.028 226 K HN 0.415 nan 8.250 nan 0.000 0.466 227 I N 1.356 121.943 120.570 0.028 0.000 2.500 227 I HA 0.072 4.242 4.170 -0.000 0.000 0.286 227 I C -0.152 175.986 176.117 0.034 0.000 1.063 227 I CA -0.121 61.196 61.300 0.028 0.000 1.062 227 I CB 2.070 40.087 38.000 0.029 0.000 1.223 227 I HN 0.589 nan 8.210 nan 0.000 0.435 228 S N 3.287 119.004 115.700 0.029 0.000 2.687 228 S HA 0.270 4.740 4.470 -0.000 0.000 0.247 228 S C 0.239 174.854 174.600 0.025 0.000 1.050 228 S CA -0.296 57.922 58.200 0.030 0.000 1.063 228 S CB 0.263 63.479 63.200 0.026 0.000 1.039 228 S HN 0.558 nan 8.310 nan 0.000 0.580 229 N N 1.714 120.427 118.700 0.022 0.000 2.483 229 N HA 0.360 5.100 4.740 -0.000 0.000 0.267 229 N C 0.304 175.825 175.510 0.017 0.000 0.998 229 N CA -0.202 52.858 53.050 0.017 0.000 0.918 229 N CB 1.739 40.234 38.487 0.013 0.000 1.215 229 N HN 0.125 nan 8.380 nan 0.000 0.500 230 I N 2.108 122.688 120.570 0.018 0.000 2.530 230 I HA -0.228 3.942 4.170 -0.000 0.000 0.257 230 I C 2.274 178.398 176.117 0.012 0.000 1.179 230 I CA 1.178 62.489 61.300 0.018 0.000 1.440 230 I CB 0.189 38.200 38.000 0.018 0.000 1.087 230 I HN 0.450 nan 8.210 nan 0.000 0.440 231 R N 1.129 121.634 120.500 0.009 0.000 2.316 231 R HA -0.193 4.147 4.340 -0.000 0.000 0.232 231 R C 1.344 177.646 176.300 0.004 0.000 1.137 231 R CA 1.615 57.718 56.100 0.005 0.000 1.012 231 R CB -0.115 30.188 30.300 0.004 0.000 0.859 231 R HN 0.568 nan 8.270 nan 0.000 0.474 232 E N -0.993 119.210 120.200 0.005 0.000 2.476 232 E HA 0.016 4.366 4.350 -0.000 0.000 0.199 232 E C 1.326 177.926 176.600 0.001 0.000 1.021 232 E CA -0.032 56.370 56.400 0.003 0.000 0.907 232 E CB 0.417 30.120 29.700 0.005 0.000 0.974 232 E HN 0.281 nan 8.360 nan 0.000 0.489 233 M N 0.086 119.688 119.600 0.004 0.000 2.552 233 M HA 0.092 4.572 4.480 -0.000 0.000 0.264 233 M C 2.150 178.448 176.300 -0.002 0.000 1.159 233 M CA 0.672 55.974 55.300 0.003 0.000 1.176 233 M CB -0.587 32.021 32.600 0.014 0.000 1.327 233 M HN 0.126 nan 8.290 nan 0.000 0.481 234 L N 1.126 122.349 121.223 -0.000 0.000 2.040 234 L HA -0.274 4.066 4.340 -0.000 0.000 0.228 234 L C -0.166 176.698 176.870 -0.010 0.000 1.092 234 L CA 2.118 56.956 54.840 -0.003 0.000 0.805 234 L CB -2.798 39.260 42.059 -0.002 0.000 0.905 234 L HN 0.188 nan 8.230 nan 0.000 0.443 235 P HA -0.146 nan 4.420 nan 0.000 0.214 235 P C 1.245 178.527 177.300 -0.030 0.000 1.163 235 P CA 1.758 64.846 63.100 -0.019 0.000 0.889 235 P CB -0.038 31.650 31.700 -0.019 0.000 0.790 236 V N -0.139 119.754 119.914 -0.035 0.000 3.110 236 V HA 0.180 4.300 4.120 -0.000 0.000 0.368 236 V C 1.829 177.892 176.094 -0.052 0.000 1.332 236 V CA 0.238 62.504 62.300 -0.057 0.000 1.287 236 V CB -0.296 31.488 31.823 -0.065 0.000 1.277 236 V HN 0.052 nan 8.190 nan 0.000 0.502 237 L N -1.127 120.078 121.223 -0.029 0.000 2.713 237 L HA 0.319 4.659 4.340 -0.000 0.000 0.223 237 L C 2.125 178.993 176.870 -0.004 0.000 1.040 237 L CA 0.658 55.491 54.840 -0.011 0.000 0.894 237 L CB 0.705 42.768 42.059 0.006 0.000 1.361 237 L HN 0.195 nan 8.230 nan 0.000 0.490 238 E N 0.549 120.745 120.200 -0.006 0.000 2.285 238 E HA -0.049 4.301 4.350 -0.000 0.000 0.194 238 E C 1.791 178.387 176.600 -0.006 0.000 0.997 238 E CA 0.798 57.197 56.400 -0.001 0.000 0.845 238 E CB 0.075 29.774 29.700 -0.002 0.000 0.782 238 E HN 0.543 nan 8.360 nan 0.000 0.491 239 A N 0.741 123.546 122.820 -0.025 0.000 2.239 239 A HA -0.012 4.308 4.320 -0.000 0.000 0.209 239 A C 1.973 179.529 177.584 -0.046 0.000 1.171 239 A CA 0.569 52.583 52.037 -0.039 0.000 0.768 239 A CB 0.143 19.105 19.000 -0.064 0.000 0.790 239 A HN 0.090 nan 8.150 nan 0.000 0.478 240 V N -1.573 118.325 119.914 -0.026 0.000 3.661 240 V HA 0.105 4.225 4.120 -0.000 0.000 0.271 240 V C 2.487 178.621 176.094 0.066 0.000 1.315 240 V CA 0.847 63.155 62.300 0.013 0.000 1.072 240 V CB 0.022 31.850 31.823 0.009 0.000 0.830 240 V HN 0.507 nan 8.190 nan 0.000 0.443 241 A N -0.029 122.816 122.820 0.040 0.000 2.014 241 A HA -0.023 4.297 4.320 -0.000 0.000 0.218 241 A C 1.364 178.977 177.584 0.047 0.000 1.163 241 A CA 0.912 52.975 52.037 0.044 0.000 0.652 241 A CB -0.134 18.883 19.000 0.028 0.000 0.808 241 A HN 0.488 nan 8.150 nan 0.000 0.449 242 K N -1.895 118.531 120.400 0.043 0.000 2.168 242 K HA 0.437 4.757 4.320 -0.000 0.000 0.258 242 K C 1.002 177.650 176.600 0.081 0.000 1.010 242 K CA 0.327 56.642 56.287 0.046 0.000 0.929 242 K CB 0.518 33.036 32.500 0.031 0.000 0.998 242 K HN 0.602 nan 8.250 nan 0.000 0.479 243 A N 1.240 124.108 122.820 0.079 0.000 4.159 243 A HA -0.255 4.065 4.320 -0.000 0.000 0.263 243 A C 1.443 179.082 177.584 0.092 0.000 0.889 243 A CA 1.895 53.995 52.037 0.104 0.000 1.227 243 A CB -2.428 16.687 19.000 0.192 0.000 1.051 243 A HN 1.381 nan 8.150 nan 0.000 0.820 244 G N -1.197 107.655 108.800 0.086 0.000 2.216 244 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.269 244 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.269 244 G C 0.172 175.116 174.900 0.075 0.000 0.981 244 G CA 1.513 46.654 45.100 0.068 0.000 0.658 244 G HN 1.250 nan 8.290 nan 0.000 0.539 245 K N 2.160 122.624 120.400 0.108 0.000 2.382 245 K HA 0.225 4.545 4.320 -0.000 0.000 0.286 245 K C -1.767 174.912 176.600 0.132 0.000 1.062 245 K CA -0.953 55.369 56.287 0.058 0.000 1.000 245 K CB 0.679 33.141 32.500 -0.064 0.000 0.954 245 K HN 0.263 nan 8.250 nan 0.000 0.470 246 P HA -0.094 nan 4.420 nan 0.000 0.269 246 P C -0.777 176.605 177.300 0.137 0.000 1.211 246 P CA -0.242 62.911 63.100 0.088 0.000 0.781 246 P CB 0.567 32.295 31.700 0.047 0.000 0.877 247 L N 2.314 123.617 121.223 0.133 0.000 2.385 247 L HA 0.543 4.883 4.340 -0.000 0.000 0.273 247 L C -1.314 175.605 176.870 0.083 0.000 0.990 247 L CA -0.998 53.933 54.840 0.151 0.000 0.821 247 L CB 1.548 43.692 42.059 0.141 0.000 1.279 247 L HN 0.173 nan 8.230 nan 0.000 0.412 248 L N 6.069 127.342 121.223 0.083 0.000 2.287 248 L HA 0.615 4.955 4.340 -0.000 0.000 0.287 248 L C -1.106 175.792 176.870 0.045 0.000 1.022 248 L CA -0.182 54.682 54.840 0.039 0.000 0.814 248 L CB 1.072 43.160 42.059 0.048 0.000 1.217 248 L HN 0.436 nan 8.230 nan 0.000 0.420 249 I N 6.792 127.371 120.570 0.015 0.000 2.336 249 I HA 0.348 4.518 4.170 -0.000 0.000 0.292 249 I C -0.174 175.959 176.117 0.027 0.000 0.991 249 I CA -0.314 60.999 61.300 0.023 0.000 1.227 249 I CB 1.267 39.278 38.000 0.017 0.000 1.366 249 I HN 0.548 nan 8.210 nan 0.000 0.466 250 I N 5.608 126.198 120.570 0.033 0.000 2.411 250 I HA 0.614 4.784 4.170 -0.000 0.000 0.284 250 I C 0.007 176.129 176.117 0.007 0.000 1.012 250 I CA -0.230 61.088 61.300 0.029 0.000 1.119 250 I CB 1.687 39.702 38.000 0.026 0.000 1.261 250 I HN 0.722 nan 8.210 nan 0.000 0.448 251 A N 4.490 127.317 122.820 0.011 0.000 2.569 251 A HA 0.401 4.721 4.320 -0.000 0.000 0.290 251 A C 0.715 178.306 177.584 0.011 0.000 1.136 251 A CA -0.566 51.475 52.037 0.007 0.000 0.710 251 A CB 1.481 20.490 19.000 0.015 0.000 1.303 251 A HN 0.753 nan 8.150 nan 0.000 0.413 252 E N -0.462 119.745 120.200 0.011 0.000 2.219 252 E HA -0.167 4.183 4.350 -0.000 0.000 0.198 252 E C -0.291 176.328 176.600 0.032 0.000 0.998 252 E CA 1.811 58.223 56.400 0.021 0.000 0.818 252 E CB 0.099 29.814 29.700 0.024 0.000 0.741 252 E HN 0.608 nan 8.360 nan 0.000 0.477 253 D N -2.280 118.140 120.400 0.033 0.000 3.020 253 D HA 0.047 4.687 4.640 -0.000 0.000 0.268 253 D C -1.993 174.334 176.300 0.045 0.000 1.078 253 D CA -0.393 53.632 54.000 0.042 0.000 0.725 253 D CB 1.092 41.916 40.800 0.041 0.000 1.639 253 D HN -0.119 nan 8.370 nan 0.000 0.455 254 V N 2.597 122.545 119.914 0.057 0.000 2.487 254 V HA 0.595 4.715 4.120 -0.000 0.000 0.298 254 V C -0.201 175.935 176.094 0.070 0.000 1.028 254 V CA -0.495 61.843 62.300 0.065 0.000 0.860 254 V CB 1.663 33.535 31.823 0.082 0.000 0.991 254 V HN 0.438 nan 8.190 nan 0.000 0.427 255 E N 2.415 122.650 120.200 0.058 0.000 2.256 255 E HA 0.632 4.982 4.350 -0.000 0.000 0.267 255 E C 0.886 177.514 176.600 0.047 0.000 0.892 255 E CA -0.144 56.288 56.400 0.053 0.000 0.775 255 E CB 2.230 31.955 29.700 0.041 0.000 1.207 255 E HN 0.806 nan 8.360 nan 0.000 0.420 256 G N 2.486 111.312 108.800 0.045 0.000 2.684 256 G HA2 -0.494 3.466 3.960 -0.000 0.000 0.358 256 G HA3 -0.494 3.466 3.960 -0.000 0.000 0.358 256 G C 1.220 176.137 174.900 0.029 0.000 1.164 256 G CA 1.076 46.196 45.100 0.034 0.000 0.935 256 G HN 0.701 nan 8.290 nan 0.000 0.574 257 E N 1.427 121.641 120.200 0.022 0.000 2.065 257 E HA -0.215 4.135 4.350 -0.000 0.000 0.201 257 E C 2.976 179.591 176.600 0.023 0.000 1.016 257 E CA 2.667 59.077 56.400 0.017 0.000 0.818 257 E CB -0.730 28.979 29.700 0.014 0.000 0.749 257 E HN 0.832 nan 8.360 nan 0.000 0.453 258 A N 1.307 124.147 122.820 0.033 0.000 1.845 258 A HA -0.186 4.134 4.320 -0.000 0.000 0.215 258 A C 2.316 179.938 177.584 0.064 0.000 1.195 258 A CA 1.715 53.779 52.037 0.044 0.000 0.616 258 A CB -0.966 18.062 19.000 0.047 0.000 0.832 258 A HN 0.363 nan 8.150 nan 0.000 0.443 259 L N -0.067 121.202 121.223 0.078 0.000 1.971 259 L HA -0.149 4.191 4.340 -0.000 0.000 0.215 259 L C 2.693 179.609 176.870 0.076 0.000 1.072 259 L CA 2.673 57.582 54.840 0.115 0.000 0.758 259 L CB -1.041 41.089 42.059 0.119 0.000 0.889 259 L HN 0.383 nan 8.230 nan 0.000 0.433 260 A N -1.433 121.407 122.820 0.033 0.000 1.873 260 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 260 A C 2.276 179.838 177.584 -0.036 0.000 1.193 260 A CA 2.755 54.781 52.037 -0.017 0.000 0.629 260 A CB -1.506 17.483 19.000 -0.018 0.000 0.826 260 A HN 0.573 nan 8.150 nan 0.000 0.447 261 T N 0.428 114.977 114.554 -0.009 0.000 2.760 261 T HA -0.172 4.178 4.350 -0.000 0.000 0.269 261 T C 1.704 176.400 174.700 -0.007 0.000 1.047 261 T CA 1.700 63.794 62.100 -0.011 0.000 1.139 261 T CB -0.411 68.461 68.868 0.008 0.000 0.855 261 T HN 0.401 nan 8.240 nan 0.000 0.471 262 L N 0.264 121.503 121.223 0.028 0.000 2.127 262 L HA 0.029 4.369 4.340 -0.000 0.000 0.203 262 L C 2.597 179.438 176.870 -0.049 0.000 1.080 262 L CA 0.564 55.444 54.840 0.067 0.000 0.768 262 L CB -0.584 41.603 42.059 0.213 0.000 0.924 262 L HN 0.111 nan 8.230 nan 0.000 0.444 263 V N -0.449 119.368 119.914 -0.163 0.000 2.688 263 V HA -0.226 3.894 4.120 -0.000 0.000 0.256 263 V C 2.366 178.253 176.094 -0.345 0.000 1.084 263 V CA 1.137 63.183 62.300 -0.422 0.000 1.103 263 V CB -0.430 31.166 31.823 -0.379 0.000 0.688 263 V HN 0.184 nan 8.190 nan 0.000 0.480 264 V N 0.623 120.409 119.914 -0.214 0.000 2.231 264 V HA -0.242 3.878 4.120 -0.000 0.000 0.240 264 V C 2.130 178.145 176.094 -0.131 0.000 1.039 264 V CA 2.435 64.628 62.300 -0.179 0.000 0.998 264 V CB -0.848 30.906 31.823 -0.115 0.000 0.639 264 V HN 0.596 nan 8.190 nan 0.000 0.451 265 N N 0.409 119.064 118.700 -0.075 0.000 2.247 265 N HA -0.234 4.506 4.740 -0.000 0.000 0.189 265 N C 1.740 177.231 175.510 -0.031 0.000 1.009 265 N CA 1.803 54.831 53.050 -0.036 0.000 0.872 265 N CB -0.238 38.249 38.487 0.000 0.000 0.980 265 N HN 0.735 nan 8.380 nan 0.000 0.436 266 T N -1.253 113.268 114.554 -0.054 0.000 2.881 266 T HA -0.069 4.281 4.350 -0.000 0.000 0.270 266 T C 1.717 176.395 174.700 -0.037 0.000 1.068 266 T CA 0.925 63.009 62.100 -0.026 0.000 1.131 266 T CB -0.056 68.778 68.868 -0.057 0.000 0.871 266 T HN 0.054 nan 8.240 nan 0.000 0.479 267 M N 0.385 119.940 119.600 -0.075 0.000 2.394 267 M HA 0.331 4.811 4.480 -0.000 0.000 0.266 267 M C 2.060 178.336 176.300 -0.041 0.000 1.098 267 M CA 0.788 56.054 55.300 -0.057 0.000 1.149 267 M CB -0.076 32.471 32.600 -0.088 0.000 1.369 267 M HN 0.026 nan 8.290 nan 0.000 0.450 268 R N 0.092 120.565 120.500 -0.045 0.000 2.346 268 R HA 0.218 4.558 4.340 -0.000 0.000 0.225 268 R C 1.233 177.524 176.300 -0.016 0.000 0.987 268 R CA 0.500 56.581 56.100 -0.032 0.000 1.106 268 R CB -0.615 29.663 30.300 -0.036 0.000 1.090 268 R HN 0.570 nan 8.270 nan 0.000 0.502 269 G N 1.756 110.551 108.800 -0.008 0.000 2.335 269 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.264 269 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.264 269 G C 0.547 175.454 174.900 0.011 0.000 0.990 269 G CA 0.580 45.683 45.100 0.005 0.000 0.647 269 G HN 0.437 nan 8.290 nan 0.000 0.561 270 I N 1.594 122.168 120.570 0.007 0.000 2.624 270 I HA 0.286 4.456 4.170 -0.000 0.000 0.307 270 I C 0.586 176.719 176.117 0.026 0.000 1.191 270 I CA 0.180 61.487 61.300 0.013 0.000 1.708 270 I CB -0.544 37.460 38.000 0.005 0.000 1.521 270 I HN 0.141 nan 8.210 nan 0.000 0.805 271 V N 4.463 124.399 119.914 0.035 0.000 3.379 271 V HA -0.207 3.913 4.120 -0.000 0.000 0.484 271 V C 0.144 176.280 176.094 0.069 0.000 0.682 271 V CA -0.188 62.144 62.300 0.052 0.000 2.029 271 V CB -0.756 31.100 31.823 0.055 0.000 2.475 271 V HN 0.941 nan 8.190 nan 0.000 0.502 272 K N 4.060 124.508 120.400 0.079 0.000 2.300 272 K HA 0.733 5.053 4.320 -0.000 0.000 0.264 272 K C -0.553 176.121 176.600 0.123 0.000 1.083 272 K CA -0.610 55.739 56.287 0.103 0.000 0.958 272 K CB 1.918 34.467 32.500 0.081 0.000 1.318 272 K HN 1.049 nan 8.250 nan 0.000 0.448 273 V N -0.923 119.093 119.914 0.170 0.000 2.823 273 V HA 0.937 5.057 4.120 -0.000 0.000 0.312 273 V C -0.697 175.479 176.094 0.137 0.000 1.072 273 V CA -0.968 61.414 62.300 0.138 0.000 0.937 273 V CB 1.538 33.434 31.823 0.123 0.000 1.013 273 V HN 0.800 nan 8.190 nan 0.000 0.430 274 A N 2.428 125.175 122.820 -0.121 0.000 2.435 274 A HA 1.067 5.387 4.320 -0.000 0.000 0.304 274 A C -0.283 177.038 177.584 -0.439 0.000 1.064 274 A CA -0.236 51.405 52.037 -0.661 0.000 0.727 274 A CB 1.821 20.529 19.000 -0.486 0.000 1.284 274 A HN 2.418 nan 8.150 nan 0.000 0.415 275 A N 0.592 123.071 122.820 -0.567 0.000 2.498 275 A HA 0.886 5.206 4.320 -0.000 0.000 0.298 275 A C -0.510 176.992 177.584 -0.137 0.000 1.075 275 A CA -0.058 51.854 52.037 -0.208 0.000 0.714 275 A CB 1.443 20.391 19.000 -0.085 0.000 1.299 275 A HN 2.324 nan 8.150 nan 0.000 0.407 276 V N -1.539 118.366 119.914 -0.015 0.000 3.159 276 V HA 0.626 4.746 4.120 -0.000 0.000 0.308 276 V C -0.466 175.676 176.094 0.079 0.000 1.190 276 V CA -1.281 61.046 62.300 0.046 0.000 1.037 276 V CB 1.523 33.394 31.823 0.079 0.000 1.060 276 V HN 0.877 nan 8.190 nan 0.000 0.437 277 K N 1.522 121.973 120.400 0.084 0.000 2.382 277 K HA 0.607 4.927 4.320 -0.000 0.000 0.275 277 K C 0.537 177.177 176.600 0.067 0.000 1.009 277 K CA 0.390 56.718 56.287 0.069 0.000 0.970 277 K CB 1.255 33.794 32.500 0.064 0.000 0.934 277 K HN 1.124 nan 8.250 nan 0.000 0.479 278 A N 4.901 127.724 122.820 0.005 0.000 2.492 278 A HA 0.164 4.484 4.320 -0.000 0.000 0.236 278 A C -2.060 175.474 177.584 -0.083 0.000 1.078 278 A CA -0.843 51.140 52.037 -0.090 0.000 0.773 278 A CB -0.359 18.594 19.000 -0.078 0.000 1.023 278 A HN 0.494 nan 8.150 nan 0.000 0.504 279 P HA 0.418 nan 4.420 nan 0.000 0.278 279 P C 0.699 177.990 177.300 -0.015 0.000 1.238 279 P CA 1.266 64.307 63.100 -0.099 0.000 0.794 279 P CB 0.872 32.420 31.700 -0.254 0.000 0.955 280 G N 2.254 111.100 108.800 0.076 0.000 2.601 280 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.261 280 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.261 280 G C -0.715 174.344 174.900 0.264 0.000 1.289 280 G CA 0.357 45.556 45.100 0.164 0.000 0.920 280 G HN 0.792 nan 8.290 nan 0.000 0.571 281 F N -2.651 117.299 119.950 0.001 0.000 2.741 281 F HA 0.773 5.300 4.527 -0.000 0.000 0.313 281 F C 0.834 176.637 175.800 0.006 0.000 1.153 281 F CA 0.460 58.462 58.000 0.003 0.000 0.931 281 F CB 0.886 39.893 39.000 0.013 0.000 1.335 281 F HN 2.559 nan 8.300 nan 0.000 0.460 282 G N 1.413 110.103 108.800 -0.184 0.000 2.539 282 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.256 282 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.256 282 G C 0.070 174.856 174.900 -0.190 0.000 1.233 282 G CA 0.406 45.331 45.100 -0.292 0.000 0.936 282 G HN 0.920 nan 8.290 nan 0.000 0.571 283 D N 0.354 120.640 120.400 -0.189 0.000 2.224 283 D HA -0.018 4.622 4.640 -0.000 0.000 0.205 283 D C 2.560 178.783 176.300 -0.128 0.000 0.965 283 D CA 1.061 54.987 54.000 -0.122 0.000 0.852 283 D CB -0.123 40.619 40.800 -0.097 0.000 0.947 283 D HN 0.481 nan 8.370 nan 0.000 0.494 284 R N 0.676 121.070 120.500 -0.177 0.000 2.081 284 R HA -0.046 4.294 4.340 -0.000 0.000 0.235 284 R C 2.389 178.620 176.300 -0.116 0.000 1.131 284 R CA 0.654 56.667 56.100 -0.145 0.000 0.960 284 R CB -0.148 30.051 30.300 -0.168 0.000 0.856 284 R HN 0.100 nan 8.270 nan 0.000 0.436 285 R N 1.742 122.173 120.500 -0.115 0.000 2.083 285 R HA -0.177 4.163 4.340 -0.000 0.000 0.237 285 R C 1.769 178.023 176.300 -0.078 0.000 1.137 285 R CA 1.795 57.849 56.100 -0.075 0.000 0.951 285 R CB -0.038 30.245 30.300 -0.029 0.000 0.851 285 R HN 0.134 nan 8.270 nan 0.000 0.434 286 K N -0.229 120.129 120.400 -0.070 0.000 2.103 286 K HA -0.117 4.203 4.320 -0.000 0.000 0.207 286 K C 2.077 178.639 176.600 -0.063 0.000 1.048 286 K CA 1.555 57.807 56.287 -0.059 0.000 0.930 286 K CB -0.131 32.339 32.500 -0.050 0.000 0.716 286 K HN 0.247 nan 8.250 nan 0.000 0.444 287 A N 1.047 123.825 122.820 -0.070 0.000 1.897 287 A HA -0.093 4.227 4.320 -0.000 0.000 0.215 287 A C 2.104 179.645 177.584 -0.072 0.000 1.181 287 A CA 1.183 53.181 52.037 -0.065 0.000 0.620 287 A CB -0.367 18.593 19.000 -0.066 0.000 0.821 287 A HN 0.149 nan 8.150 nan 0.000 0.443 288 M N -0.631 118.916 119.600 -0.088 0.000 2.159 288 M HA -0.080 4.400 4.480 -0.000 0.000 0.263 288 M C 2.129 178.354 176.300 -0.127 0.000 1.063 288 M CA 1.156 56.392 55.300 -0.107 0.000 1.110 288 M CB -0.488 32.035 32.600 -0.130 0.000 1.374 288 M HN 0.386 nan 8.290 nan 0.000 0.411 289 L N 0.055 121.205 121.223 -0.122 0.000 2.079 289 L HA -0.277 4.063 4.340 -0.000 0.000 0.210 289 L C 2.692 179.514 176.870 -0.080 0.000 1.081 289 L CA 1.434 56.204 54.840 -0.117 0.000 0.752 289 L CB -0.396 41.611 42.059 -0.087 0.000 0.896 289 L HN 0.335 nan 8.230 nan 0.000 0.433 290 Q N 0.381 120.144 119.800 -0.063 0.000 2.020 290 Q HA -0.226 4.114 4.340 -0.000 0.000 0.202 290 Q C 1.602 177.579 176.000 -0.038 0.000 0.982 290 Q CA 2.128 57.906 55.803 -0.043 0.000 0.838 290 Q CB -0.214 28.502 28.738 -0.038 0.000 0.899 290 Q HN 0.400 nan 8.270 nan 0.000 0.423 291 D N -0.048 120.324 120.400 -0.046 0.000 2.127 291 D HA -0.215 4.425 4.640 -0.000 0.000 0.190 291 D C 1.835 178.120 176.300 -0.025 0.000 1.000 291 D CA 1.917 55.897 54.000 -0.034 0.000 0.839 291 D CB -0.346 40.430 40.800 -0.040 0.000 0.955 291 D HN 0.344 nan 8.370 nan 0.000 0.446 292 I N 0.813 121.358 120.570 -0.042 0.000 2.118 292 I HA -0.356 3.814 4.170 -0.000 0.000 0.241 292 I C 2.485 178.603 176.117 0.001 0.000 1.070 292 I CA 1.375 62.664 61.300 -0.018 0.000 1.327 292 I CB -0.533 37.431 38.000 -0.059 0.000 1.034 292 I HN -0.004 nan 8.210 nan 0.000 0.405 293 A N 0.564 123.379 122.820 -0.010 0.000 1.873 293 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 293 A C 2.395 179.984 177.584 0.008 0.000 1.193 293 A CA 2.876 54.915 52.037 0.003 0.000 0.629 293 A CB -1.304 17.693 19.000 -0.006 0.000 0.826 293 A HN 0.436 nan 8.150 nan 0.000 0.447 294 T N 0.411 114.965 114.554 0.001 0.000 2.635 294 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 294 T C 1.853 176.559 174.700 0.010 0.000 1.040 294 T CA 1.424 63.526 62.100 0.003 0.000 1.156 294 T CB -0.434 68.432 68.868 -0.003 0.000 0.863 294 T HN 0.347 nan 8.240 nan 0.000 0.430 295 L N 1.870 123.100 121.223 0.012 0.000 2.129 295 L HA -0.100 4.240 4.340 -0.000 0.000 0.212 295 L C 2.025 178.910 176.870 0.024 0.000 1.087 295 L CA 2.414 57.266 54.840 0.019 0.000 0.757 295 L CB -1.355 40.719 42.059 0.025 0.000 0.896 295 L HN 0.503 nan 8.230 nan 0.000 0.434 296 T N -3.124 111.448 114.554 0.030 0.000 3.129 296 T HA 0.427 4.777 4.350 -0.000 0.000 0.267 296 T C 0.879 175.603 174.700 0.040 0.000 1.018 296 T CA 0.176 62.298 62.100 0.037 0.000 0.903 296 T CB -0.252 68.646 68.868 0.051 0.000 1.067 296 T HN 0.638 nan 8.240 nan 0.000 0.549 297 G N -0.043 108.776 108.800 0.032 0.000 2.978 297 G HA2 0.385 4.345 3.960 -0.000 0.000 0.686 297 G HA3 0.385 4.345 3.960 -0.000 0.000 0.686 297 G C 0.228 175.154 174.900 0.043 0.000 1.288 297 G CA -0.448 44.672 45.100 0.034 0.000 1.026 297 G HN 1.964 nan 8.290 nan 0.000 0.587 298 G N -0.022 108.798 108.800 0.034 0.000 2.462 298 G HA2 0.586 4.546 3.960 -0.000 0.000 0.685 298 G HA3 0.586 4.546 3.960 -0.000 0.000 0.685 298 G C -0.081 174.829 174.900 0.017 0.000 1.295 298 G CA 0.382 45.501 45.100 0.032 0.000 0.941 298 G HN 2.853 nan 8.290 nan 0.000 0.554 299 T N -2.675 111.885 114.554 0.009 0.000 2.887 299 T HA 0.864 5.214 4.350 -0.000 0.000 0.292 299 T C 0.337 175.034 174.700 -0.004 0.000 1.087 299 T CA -0.196 61.904 62.100 0.000 0.000 1.009 299 T CB 1.502 70.368 68.868 -0.003 0.000 1.203 299 T HN 2.065 nan 8.240 nan 0.000 0.518 300 V N -0.691 119.218 119.914 -0.009 0.000 2.686 300 V HA 0.629 4.749 4.120 -0.000 0.000 0.295 300 V C -0.212 175.874 176.094 -0.012 0.000 1.057 300 V CA -0.927 61.365 62.300 -0.013 0.000 1.012 300 V CB 0.368 32.179 31.823 -0.019 0.000 1.006 300 V HN 0.870 nan 8.190 nan 0.000 0.477 301 I N 4.310 124.873 120.570 -0.012 0.000 2.460 301 I HA 0.347 4.517 4.170 -0.000 0.000 0.277 301 I C 0.258 176.369 176.117 -0.010 0.000 1.057 301 I CA -0.064 61.230 61.300 -0.011 0.000 1.179 301 I CB 1.165 39.158 38.000 -0.011 0.000 1.329 301 I HN 0.854 nan 8.210 nan 0.000 0.478 302 S N 2.602 118.295 115.700 -0.011 0.000 2.451 302 S HA 0.363 4.833 4.470 -0.000 0.000 0.301 302 S C 0.722 175.317 174.600 -0.007 0.000 1.116 302 S CA -0.774 57.420 58.200 -0.010 0.000 1.093 302 S CB 1.824 65.016 63.200 -0.013 0.000 1.017 302 S HN 0.584 nan 8.310 nan 0.000 0.482 303 E N 2.179 122.376 120.200 -0.005 0.000 2.171 303 E HA -0.223 4.127 4.350 -0.000 0.000 0.197 303 E C 1.359 177.957 176.600 -0.004 0.000 0.997 303 E CA 1.561 57.959 56.400 -0.003 0.000 0.810 303 E CB -0.244 29.456 29.700 -0.001 0.000 0.738 303 E HN 0.843 nan 8.360 nan 0.000 0.467 304 E N 0.170 120.367 120.200 -0.005 0.000 2.301 304 E HA -0.197 4.153 4.350 -0.000 0.000 0.202 304 E C 0.764 177.360 176.600 -0.006 0.000 1.017 304 E CA 0.797 57.193 56.400 -0.006 0.000 0.831 304 E CB -0.113 29.582 29.700 -0.008 0.000 0.742 304 E HN 0.403 nan 8.360 nan 0.000 0.491 305 I N -0.575 119.991 120.570 -0.007 0.000 2.979 305 I HA 0.206 4.376 4.170 -0.000 0.000 0.337 305 I C 0.755 176.869 176.117 -0.006 0.000 1.453 305 I CA -0.294 61.002 61.300 -0.006 0.000 0.891 305 I CB 0.891 38.886 38.000 -0.008 0.000 1.887 305 I HN 0.049 nan 8.210 nan 0.000 0.546 306 G N 1.939 110.736 108.800 -0.005 0.000 2.200 306 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.268 306 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.268 306 G C 0.423 175.320 174.900 -0.005 0.000 0.986 306 G CA 0.408 45.505 45.100 -0.005 0.000 0.677 306 G HN 0.459 nan 8.290 nan 0.000 0.532 307 M N 0.432 120.028 119.600 -0.006 0.000 2.217 307 M HA 0.398 4.878 4.480 -0.000 0.000 0.354 307 M C 0.414 176.710 176.300 -0.007 0.000 1.225 307 M CA 0.544 55.840 55.300 -0.007 0.000 1.137 307 M CB 0.739 33.333 32.600 -0.009 0.000 1.576 307 M HN 0.227 nan 8.290 nan 0.000 0.461 308 E N 2.261 122.457 120.200 -0.008 0.000 2.256 308 E HA 0.298 4.648 4.350 -0.000 0.000 0.267 308 E C -0.087 176.508 176.600 -0.010 0.000 0.892 308 E CA -0.642 55.754 56.400 -0.007 0.000 0.775 308 E CB 2.048 31.744 29.700 -0.006 0.000 1.207 308 E HN 0.662 nan 8.360 nan 0.000 0.420 309 L N 1.862 123.079 121.223 -0.008 0.000 2.749 309 L HA -0.124 4.216 4.340 -0.000 0.000 0.245 309 L C 1.025 177.886 176.870 -0.015 0.000 1.156 309 L CA 0.714 55.547 54.840 -0.011 0.000 0.890 309 L CB -0.348 41.706 42.059 -0.007 0.000 1.036 309 L HN 0.485 nan 8.230 nan 0.000 0.441 310 E N -0.099 120.093 120.200 -0.013 0.000 2.256 310 E HA 0.009 4.359 4.350 -0.000 0.000 0.198 310 E C 1.033 177.623 176.600 -0.017 0.000 0.908 310 E CA 0.545 56.937 56.400 -0.014 0.000 0.915 310 E CB 0.204 29.898 29.700 -0.010 0.000 0.890 310 E HN 0.187 nan 8.360 nan 0.000 0.484 311 K N 0.933 121.324 120.400 -0.015 0.000 3.025 311 K HA 0.337 4.657 4.320 -0.000 0.000 0.260 311 K C -0.431 176.157 176.600 -0.020 0.000 1.023 311 K CA -0.000 56.278 56.287 -0.015 0.000 1.194 311 K CB 0.302 32.795 32.500 -0.012 0.000 1.094 311 K HN -0.047 nan 8.250 nan 0.000 0.460 312 A N 1.342 124.147 122.820 -0.026 0.000 2.310 312 A HA 0.282 4.602 4.320 -0.000 0.000 0.304 312 A C 0.564 178.120 177.584 -0.046 0.000 1.231 312 A CA -0.778 51.239 52.037 -0.033 0.000 0.799 312 A CB 0.419 19.398 19.000 -0.035 0.000 1.162 312 A HN 0.309 nan 8.150 nan 0.000 0.486 313 T N 0.443 114.969 114.554 -0.045 0.000 3.332 313 T HA 0.335 4.685 4.350 -0.000 0.000 0.367 313 T C 1.175 175.821 174.700 -0.089 0.000 1.244 313 T CA 0.250 62.317 62.100 -0.055 0.000 0.977 313 T CB -0.085 68.760 68.868 -0.039 0.000 1.784 313 T HN 0.307 nan 8.240 nan 0.000 0.553 314 L N -0.305 120.861 121.223 -0.096 0.000 2.408 314 L HA 0.288 4.628 4.340 -0.000 0.000 0.215 314 L C 2.759 179.561 176.870 -0.113 0.000 1.081 314 L CA 0.595 55.339 54.840 -0.160 0.000 0.840 314 L CB -0.325 41.645 42.059 -0.147 0.000 1.002 314 L HN 0.633 nan 8.230 nan 0.000 0.468 315 E N 0.408 120.581 120.200 -0.046 0.000 2.299 315 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 315 E C 1.495 178.092 176.600 -0.006 0.000 0.998 315 E CA 0.795 57.193 56.400 -0.005 0.000 0.851 315 E CB 0.059 29.763 29.700 0.007 0.000 0.795 315 E HN 0.274 nan 8.360 nan 0.000 0.492 316 D N -0.027 120.357 120.400 -0.027 0.000 2.218 316 D HA -0.107 4.533 4.640 -0.000 0.000 0.204 316 D C 0.427 176.718 176.300 -0.015 0.000 0.976 316 D CA 0.340 54.328 54.000 -0.020 0.000 0.853 316 D CB -0.052 40.730 40.800 -0.028 0.000 0.939 316 D HN 0.195 nan 8.370 nan 0.000 0.481 317 L N 0.606 121.806 121.223 -0.037 0.000 2.452 317 L HA 0.350 4.690 4.340 -0.000 0.000 0.267 317 L C 0.979 177.895 176.870 0.078 0.000 1.188 317 L CA 0.044 54.871 54.840 -0.021 0.000 0.821 317 L CB 1.098 43.062 42.059 -0.159 0.000 1.102 317 L HN -0.103 nan 8.230 nan 0.000 0.470 318 G N 2.046 110.916 108.800 0.116 0.000 2.528 318 G HA2 0.503 4.463 3.960 -0.000 0.000 0.289 318 G HA3 0.503 4.463 3.960 -0.000 0.000 0.289 318 G C -1.298 173.746 174.900 0.239 0.000 1.192 318 G CA -0.268 44.916 45.100 0.140 0.000 0.921 318 G HN 0.707 nan 8.290 nan 0.000 0.512 319 Q N -0.920 118.967 119.800 0.144 0.000 2.378 319 Q HA 0.547 4.887 4.340 -0.000 0.000 0.262 319 Q C -1.323 174.680 176.000 0.005 0.000 0.978 319 Q CA -0.737 55.107 55.803 0.068 0.000 0.918 319 Q CB 1.847 30.616 28.738 0.052 0.000 1.415 319 Q HN 0.963 nan 8.270 nan 0.000 0.409 320 A N 2.685 125.485 122.820 -0.032 0.000 2.532 320 A HA 0.491 4.811 4.320 -0.000 0.000 0.290 320 A C -0.466 177.084 177.584 -0.058 0.000 1.143 320 A CA -0.619 51.402 52.037 -0.027 0.000 0.728 320 A CB 1.792 20.792 19.000 0.000 0.000 1.317 320 A HN 0.805 nan 8.150 nan 0.000 0.414 321 K N -0.670 119.704 120.400 -0.043 0.000 2.459 321 K HA 0.134 4.454 4.320 -0.000 0.000 0.193 321 K C 0.356 176.929 176.600 -0.044 0.000 1.030 321 K CA 0.769 57.026 56.287 -0.050 0.000 1.026 321 K CB 0.027 32.505 32.500 -0.037 0.000 0.809 321 K HN 0.567 nan 8.250 nan 0.000 0.504 322 R N -0.389 120.090 120.500 -0.035 0.000 3.964 322 R HA 0.064 4.404 4.340 -0.000 0.000 0.244 322 R C -1.910 174.376 176.300 -0.023 0.000 1.004 322 R CA -0.526 55.556 56.100 -0.030 0.000 1.148 322 R CB 0.853 31.138 30.300 -0.026 0.000 1.234 322 R HN -0.023 nan 8.270 nan 0.000 0.567 323 V N 0.348 120.249 119.914 -0.022 0.000 3.001 323 V HA 0.946 5.066 4.120 -0.000 0.000 0.314 323 V C -1.291 174.786 176.094 -0.028 0.000 1.099 323 V CA -0.631 61.654 62.300 -0.026 0.000 0.989 323 V CB 2.399 34.212 31.823 -0.017 0.000 1.040 323 V HN 0.435 nan 8.190 nan 0.000 0.434 324 V N 3.864 123.751 119.914 -0.045 0.000 2.577 324 V HA 0.507 4.627 4.120 -0.000 0.000 0.294 324 V C -0.970 175.097 176.094 -0.045 0.000 1.052 324 V CA -0.082 62.199 62.300 -0.031 0.000 0.891 324 V CB 1.381 33.187 31.823 -0.029 0.000 1.017 324 V HN 0.832 nan 8.190 nan 0.000 0.436 325 I N 5.534 126.104 120.570 0.000 0.000 2.377 325 I HA 0.534 4.704 4.170 -0.000 0.000 0.293 325 I C 0.422 176.613 176.117 0.123 0.000 0.987 325 I CA 0.156 61.471 61.300 0.026 0.000 1.185 325 I CB 1.502 39.547 38.000 0.076 0.000 1.341 325 I HN 0.557 nan 8.210 nan 0.000 0.455 326 N N 4.349 123.085 118.700 0.059 0.000 2.879 326 N HA 0.292 5.032 4.740 -0.000 0.000 0.329 326 N C 0.818 176.267 175.510 -0.102 0.000 1.337 326 N CA -0.727 52.377 53.050 0.089 0.000 0.844 326 N CB 0.563 39.060 38.487 0.016 0.000 1.236 326 N HN 0.447 nan 8.380 nan 0.000 0.601 327 K N 0.002 120.309 120.400 -0.156 0.000 2.283 327 K HA -0.122 4.198 4.320 -0.000 0.000 0.202 327 K C -0.591 175.724 176.600 -0.475 0.000 1.048 327 K CA 1.676 57.637 56.287 -0.543 0.000 0.948 327 K CB 0.016 32.424 32.500 -0.155 0.000 0.742 327 K HN 0.589 nan 8.250 nan 0.000 0.458 328 D N -1.312 118.938 120.400 -0.250 0.000 2.783 328 D HA 0.095 4.735 4.640 -0.000 0.000 0.306 328 D C -1.058 175.174 176.300 -0.113 0.000 1.633 328 D CA -0.456 53.444 54.000 -0.166 0.000 0.796 328 D CB 0.817 41.556 40.800 -0.102 0.000 1.230 328 D HN -0.157 nan 8.370 nan 0.000 0.441 329 T N 0.015 114.488 114.554 -0.136 0.000 3.237 329 T HA 0.503 4.853 4.350 -0.000 0.000 0.319 329 T C -0.926 173.634 174.700 -0.233 0.000 1.037 329 T CA -0.450 61.558 62.100 -0.153 0.000 1.048 329 T CB 2.004 70.812 68.868 -0.101 0.000 1.081 329 T HN -0.098 nan 8.240 nan 0.000 0.455 330 T N 2.578 116.858 114.554 -0.456 0.000 2.824 330 T HA 0.715 5.065 4.350 -0.000 0.000 0.280 330 T C -0.145 174.141 174.700 -0.690 0.000 0.995 330 T CA -0.606 61.123 62.100 -0.619 0.000 1.009 330 T CB 1.486 69.751 68.868 -1.004 0.000 0.955 330 T HN 0.667 nan 8.240 nan 0.000 0.452 331 T N 3.032 117.361 114.554 -0.376 0.000 3.031 331 T HA 0.575 4.925 4.350 -0.000 0.000 0.305 331 T C -0.742 173.885 174.700 -0.122 0.000 0.985 331 T CA -0.717 61.241 62.100 -0.238 0.000 1.008 331 T CB 0.120 68.899 68.868 -0.149 0.000 1.005 331 T HN 0.484 nan 8.240 nan 0.000 0.444 332 I N 5.876 126.413 120.570 -0.056 0.000 2.325 332 I HA 0.428 4.598 4.170 -0.000 0.000 0.291 332 I C -0.082 176.035 176.117 -0.001 0.000 1.019 332 I CA -0.828 60.473 61.300 0.002 0.000 1.302 332 I CB 1.160 39.202 38.000 0.069 0.000 1.401 332 I HN 0.575 nan 8.210 nan 0.000 0.485 333 I N 5.940 126.504 120.570 -0.010 0.000 2.362 333 I HA 0.281 4.450 4.170 -0.000 0.000 0.289 333 I C -0.624 175.487 176.117 -0.009 0.000 0.994 333 I CA -0.511 60.782 61.300 -0.012 0.000 1.158 333 I CB 1.215 39.203 38.000 -0.020 0.000 1.315 333 I HN 0.575 nan 8.210 nan 0.000 0.451 334 D N 4.924 125.321 120.400 -0.005 0.000 4.847 334 D HA -0.104 4.536 4.640 -0.000 0.000 0.237 334 D C -0.236 176.062 176.300 -0.003 0.000 1.164 334 D CA 0.841 54.838 54.000 -0.006 0.000 1.196 334 D CB 0.093 40.885 40.800 -0.013 0.000 0.717 334 D HN 0.852 nan 8.370 nan 0.000 0.348 335 G N 1.731 110.533 108.800 0.004 0.000 2.371 335 G HA2 0.484 4.444 3.960 -0.000 0.000 0.326 335 G HA3 0.484 4.444 3.960 -0.000 0.000 0.326 335 G C 1.328 176.231 174.900 0.006 0.000 1.127 335 G CA -0.441 44.664 45.100 0.009 0.000 0.885 335 G HN 0.350 nan 8.290 nan 0.000 0.477 336 V N 2.464 122.382 119.914 0.007 0.000 2.720 336 V HA -0.036 4.084 4.120 -0.000 0.000 0.256 336 V C 2.267 178.368 176.094 0.012 0.000 1.082 336 V CA 1.230 63.534 62.300 0.007 0.000 1.101 336 V CB -1.198 30.633 31.823 0.013 0.000 0.693 336 V HN 0.860 nan 8.190 nan 0.000 0.479 337 G N 1.200 110.010 108.800 0.016 0.000 2.341 337 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.231 337 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.231 337 G C -0.024 174.882 174.900 0.010 0.000 1.206 337 G CA -0.213 44.896 45.100 0.014 0.000 0.865 337 G HN 0.352 nan 8.290 nan 0.000 0.515 338 E N 1.988 122.193 120.200 0.009 0.000 2.328 338 E HA -0.010 4.340 4.350 -0.000 0.000 0.265 338 E C 1.517 178.120 176.600 0.005 0.000 1.057 338 E CA -0.083 56.321 56.400 0.006 0.000 0.916 338 E CB 0.661 30.364 29.700 0.006 0.000 0.993 338 E HN 0.687 nan 8.360 nan 0.000 0.446 339 E N 1.975 122.177 120.200 0.003 0.000 2.501 339 E HA -0.176 4.174 4.350 -0.000 0.000 0.203 339 E C 1.011 177.612 176.600 0.001 0.000 1.072 339 E CA 0.798 57.200 56.400 0.002 0.000 0.885 339 E CB -0.015 29.686 29.700 0.001 0.000 0.813 339 E HN 0.430 nan 8.360 nan 0.000 0.556 340 A N 0.929 123.750 122.820 0.002 0.000 2.055 340 A HA 0.453 4.773 4.320 -0.000 0.000 0.205 340 A C 2.300 179.884 177.584 0.000 0.000 1.235 340 A CA 0.636 52.673 52.037 0.001 0.000 0.822 340 A CB 0.049 19.049 19.000 0.001 0.000 0.903 340 A HN 0.261 nan 8.150 nan 0.000 0.473 341 A N 0.263 123.084 122.820 0.001 0.000 1.898 341 A HA 0.072 4.392 4.320 -0.000 0.000 0.214 341 A C 1.994 179.578 177.584 -0.000 0.000 1.183 341 A CA 1.242 53.280 52.037 0.001 0.000 0.622 341 A CB -0.554 18.447 19.000 0.002 0.000 0.824 341 A HN 0.418 nan 8.150 nan 0.000 0.444 342 I N -0.570 120.000 120.570 0.001 0.000 2.286 342 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 342 I C 2.675 178.791 176.117 -0.002 0.000 1.115 342 I CA 1.686 62.986 61.300 0.000 0.000 1.392 342 I CB -0.182 37.819 38.000 0.003 0.000 1.065 342 I HN 0.356 nan 8.210 nan 0.000 0.418 343 Q N 1.143 120.942 119.800 -0.001 0.000 2.291 343 Q HA -0.106 4.234 4.340 -0.000 0.000 0.205 343 Q C 1.947 177.944 176.000 -0.004 0.000 0.970 343 Q CA 1.709 57.511 55.803 -0.002 0.000 0.876 343 Q CB -0.446 28.290 28.738 -0.002 0.000 0.935 343 Q HN 0.478 nan 8.270 nan 0.000 0.455 344 G N -0.564 108.234 108.800 -0.004 0.000 2.494 344 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.216 344 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.216 344 G C 1.535 176.431 174.900 -0.007 0.000 1.140 344 G CA 0.472 45.569 45.100 -0.005 0.000 0.801 344 G HN 0.296 nan 8.290 nan 0.000 0.536 345 R N 0.561 121.057 120.500 -0.007 0.000 2.073 345 R HA 0.032 4.372 4.340 -0.000 0.000 0.229 345 R C 2.375 178.668 176.300 -0.012 0.000 1.120 345 R CA 1.321 57.414 56.100 -0.010 0.000 0.967 345 R CB -0.842 29.452 30.300 -0.010 0.000 0.862 345 R HN 0.147 nan 8.270 nan 0.000 0.436 346 V N 1.237 121.145 119.914 -0.010 0.000 2.720 346 V HA -0.144 3.976 4.120 -0.000 0.000 0.256 346 V C 2.297 178.385 176.094 -0.011 0.000 1.082 346 V CA 1.545 63.838 62.300 -0.011 0.000 1.101 346 V CB -0.916 30.902 31.823 -0.008 0.000 0.693 346 V HN 0.512 nan 8.190 nan 0.000 0.479 347 A N -0.276 122.539 122.820 -0.009 0.000 1.858 347 A HA -0.271 4.049 4.320 -0.000 0.000 0.216 347 A C 2.219 179.797 177.584 -0.011 0.000 1.190 347 A CA 1.906 53.937 52.037 -0.009 0.000 0.617 347 A CB -0.462 18.534 19.000 -0.008 0.000 0.827 347 A HN 0.575 nan 8.150 nan 0.000 0.443 348 Q N -0.455 119.338 119.800 -0.012 0.000 2.002 348 Q HA -0.161 4.179 4.340 -0.000 0.000 0.204 348 Q C 2.083 178.073 176.000 -0.017 0.000 0.988 348 Q CA 1.742 57.537 55.803 -0.014 0.000 0.843 348 Q CB -0.436 28.292 28.738 -0.016 0.000 0.908 348 Q HN 0.725 nan 8.270 nan 0.000 0.420 349 I N 0.369 120.928 120.570 -0.020 0.000 2.399 349 I HA -0.311 3.859 4.170 -0.000 0.000 0.254 349 I C 2.286 178.390 176.117 -0.022 0.000 1.146 349 I CA 1.258 62.544 61.300 -0.024 0.000 1.412 349 I CB -0.252 37.733 38.000 -0.025 0.000 1.076 349 I HN 0.175 nan 8.210 nan 0.000 0.432 350 R N -0.162 120.327 120.500 -0.017 0.000 2.173 350 R HA 0.001 4.341 4.340 -0.000 0.000 0.208 350 R C 1.900 178.192 176.300 -0.014 0.000 1.035 350 R CA 0.415 56.506 56.100 -0.015 0.000 1.004 350 R CB 0.078 30.370 30.300 -0.012 0.000 0.917 350 R HN 0.293 nan 8.270 nan 0.000 0.462 351 Q N 0.194 119.986 119.800 -0.013 0.000 2.444 351 Q HA -0.010 4.330 4.340 -0.000 0.000 0.206 351 Q C 0.934 176.926 176.000 -0.013 0.000 0.948 351 Q CA 0.760 56.556 55.803 -0.012 0.000 0.946 351 Q CB 0.877 29.609 28.738 -0.010 0.000 1.027 351 Q HN 0.434 nan 8.270 nan 0.000 0.513 352 Q N -0.735 119.055 119.800 -0.017 0.000 2.352 352 Q HA 0.187 4.527 4.340 -0.000 0.000 0.212 352 Q C 1.490 177.478 176.000 -0.020 0.000 0.888 352 Q CA 0.047 55.839 55.803 -0.019 0.000 0.934 352 Q CB 0.707 29.431 28.738 -0.024 0.000 1.093 352 Q HN 0.331 nan 8.270 nan 0.000 0.523 353 I N 0.291 120.850 120.570 -0.019 0.000 3.228 353 I HA -0.058 4.112 4.170 -0.000 0.000 0.279 353 I C 1.266 177.375 176.117 -0.012 0.000 1.221 353 I CA 0.394 61.683 61.300 -0.019 0.000 1.458 353 I CB 0.256 38.244 38.000 -0.019 0.000 1.105 353 I HN -0.005 nan 8.210 nan 0.000 0.445 354 E N 1.656 121.850 120.200 -0.011 0.000 2.494 354 E HA -0.019 4.331 4.350 -0.000 0.000 0.193 354 E C 0.311 176.907 176.600 -0.007 0.000 1.074 354 E CA 0.498 56.893 56.400 -0.008 0.000 0.867 354 E CB 0.028 29.724 29.700 -0.007 0.000 0.924 354 E HN 0.577 nan 8.360 nan 0.000 0.502 355 E N -0.253 119.943 120.200 -0.008 0.000 3.029 355 E HA 0.227 4.577 4.350 -0.000 0.000 0.196 355 E C -0.442 176.155 176.600 -0.006 0.000 0.973 355 E CA -0.198 56.199 56.400 -0.006 0.000 1.242 355 E CB 1.187 30.882 29.700 -0.008 0.000 1.056 355 E HN -0.003 nan 8.360 nan 0.000 0.469 356 A N 1.811 124.628 122.820 -0.005 0.000 2.915 356 A HA 0.092 4.412 4.320 -0.000 0.000 0.292 356 A C 1.238 178.825 177.584 0.005 0.000 1.632 356 A CA -0.232 51.803 52.037 -0.003 0.000 1.337 356 A CB -0.862 18.133 19.000 -0.007 0.000 1.111 356 A HN 0.199 nan 8.150 nan 0.000 0.569 357 T N -1.177 113.381 114.554 0.008 0.000 3.584 357 T HA 0.291 4.641 4.350 -0.000 0.000 0.252 357 T C 0.521 175.234 174.700 0.021 0.000 1.103 357 T CA 0.579 62.686 62.100 0.012 0.000 0.977 357 T CB -0.653 68.222 68.868 0.010 0.000 1.044 357 T HN 0.640 nan 8.240 nan 0.000 0.589 358 S N -1.209 114.507 115.700 0.027 0.000 2.703 358 S HA 0.339 4.809 4.470 -0.000 0.000 0.273 358 S C -0.446 174.182 174.600 0.047 0.000 1.178 358 S CA -0.477 57.751 58.200 0.046 0.000 0.838 358 S CB 1.564 64.807 63.200 0.072 0.000 1.178 358 S HN 0.212 nan 8.310 nan 0.000 0.494 359 D N -0.567 119.877 120.400 0.074 0.000 2.725 359 D HA -0.009 4.631 4.640 -0.000 0.000 0.269 359 D C 1.588 177.948 176.300 0.099 0.000 1.018 359 D CA 0.498 54.540 54.000 0.070 0.000 0.956 359 D CB -0.284 40.558 40.800 0.069 0.000 1.141 359 D HN 0.521 nan 8.370 nan 0.000 0.478 360 Y N 2.392 122.694 120.300 0.003 0.000 2.081 360 Y HA -0.254 4.296 4.550 -0.000 0.000 0.280 360 Y C 1.587 177.487 175.900 -0.000 0.000 1.163 360 Y CA 2.642 60.745 58.100 0.005 0.000 1.135 360 Y CB -0.666 37.798 38.460 0.007 0.000 0.970 360 Y HN -0.046 nan 8.280 nan 0.000 0.498 361 D N -0.563 119.846 120.400 0.014 0.000 2.190 361 D HA -0.200 4.440 4.640 -0.000 0.000 0.200 361 D C 2.264 178.495 176.300 -0.115 0.000 0.992 361 D CA 1.633 55.575 54.000 -0.098 0.000 0.854 361 D CB -0.235 40.567 40.800 0.003 0.000 0.936 361 D HN 0.371 nan 8.370 nan 0.000 0.462 362 R N 0.614 121.076 120.500 -0.064 0.000 2.057 362 R HA -0.082 4.258 4.340 -0.000 0.000 0.229 362 R C 1.900 178.153 176.300 -0.079 0.000 1.136 362 R CA 1.110 57.178 56.100 -0.054 0.000 0.952 362 R CB 0.056 30.344 30.300 -0.021 0.000 0.848 362 R HN 0.162 nan 8.270 nan 0.000 0.430 363 E N 0.364 120.512 120.200 -0.087 0.000 2.038 363 E HA -0.208 4.141 4.350 -0.000 0.000 0.195 363 E C 1.954 178.476 176.600 -0.131 0.000 1.000 363 E CA 1.235 57.583 56.400 -0.087 0.000 0.803 363 E CB 0.041 29.705 29.700 -0.061 0.000 0.750 363 E HN 0.132 nan 8.360 nan 0.000 0.448 364 K N 0.485 120.739 120.400 -0.243 0.000 2.218 364 K HA -0.138 4.182 4.320 -0.000 0.000 0.205 364 K C 2.094 178.603 176.600 -0.150 0.000 1.046 364 K CA 0.866 57.006 56.287 -0.244 0.000 0.933 364 K CB -0.189 32.062 32.500 -0.415 0.000 0.728 364 K HN 0.240 nan 8.250 nan 0.000 0.454 365 L N 0.261 121.408 121.223 -0.127 0.000 2.102 365 L HA -0.077 4.262 4.340 -0.000 0.000 0.202 365 L C 2.110 178.945 176.870 -0.059 0.000 1.076 365 L CA 0.780 55.569 54.840 -0.084 0.000 0.761 365 L CB -0.263 41.753 42.059 -0.072 0.000 0.921 365 L HN 0.146 nan 8.230 nan 0.000 0.444 366 Q N -0.204 119.564 119.800 -0.053 0.000 2.515 366 Q HA -0.176 4.164 4.340 -0.000 0.000 0.212 366 Q C 1.477 177.458 176.000 -0.031 0.000 0.970 366 Q CA 0.481 56.263 55.803 -0.035 0.000 0.941 366 Q CB 0.213 28.934 28.738 -0.028 0.000 0.998 366 Q HN 0.474 nan 8.270 nan 0.000 0.518 367 E N 0.479 120.654 120.200 -0.041 0.000 2.307 367 E HA -0.027 4.323 4.350 -0.000 0.000 0.195 367 E C 1.714 178.301 176.600 -0.023 0.000 0.975 367 E CA -0.037 56.344 56.400 -0.031 0.000 0.878 367 E CB 0.411 30.086 29.700 -0.043 0.000 0.845 367 E HN 0.183 nan 8.360 nan 0.000 0.488 368 R N 0.347 120.828 120.500 -0.032 0.000 2.080 368 R HA -0.056 4.284 4.340 -0.000 0.000 0.222 368 R C 2.563 178.853 176.300 -0.016 0.000 1.107 368 R CA 1.207 57.292 56.100 -0.025 0.000 0.980 368 R CB -0.070 30.207 30.300 -0.038 0.000 0.879 368 R HN 0.168 nan 8.270 nan 0.000 0.439 369 V N -1.367 118.536 119.914 -0.018 0.000 2.343 369 V HA -0.155 3.965 4.120 -0.000 0.000 0.247 369 V C 2.328 178.418 176.094 -0.006 0.000 1.051 369 V CA 1.754 64.046 62.300 -0.013 0.000 1.036 369 V CB -1.188 30.627 31.823 -0.014 0.000 0.654 369 V HN 0.231 nan 8.190 nan 0.000 0.451 370 A N 0.929 123.745 122.820 -0.006 0.000 1.869 370 A HA -0.287 4.033 4.320 -0.000 0.000 0.218 370 A C 2.350 179.937 177.584 0.006 0.000 1.203 370 A CA 2.762 54.798 52.037 -0.001 0.000 0.638 370 A CB -0.748 18.251 19.000 -0.002 0.000 0.831 370 A HN 0.631 nan 8.150 nan 0.000 0.450 371 K N -1.255 119.152 120.400 0.011 0.000 2.002 371 K HA -0.103 4.217 4.320 -0.000 0.000 0.209 371 K C 1.892 178.506 176.600 0.023 0.000 1.048 371 K CA 1.466 57.767 56.287 0.025 0.000 0.930 371 K CB -0.384 32.140 32.500 0.040 0.000 0.714 371 K HN 0.362 nan 8.250 nan 0.000 0.438 372 L N 0.134 121.366 121.223 0.015 0.000 2.362 372 L HA -0.039 4.301 4.340 -0.000 0.000 0.219 372 L C 1.631 178.506 176.870 0.007 0.000 1.134 372 L CA 1.403 56.250 54.840 0.012 0.000 0.807 372 L CB -0.118 41.943 42.059 0.003 0.000 0.927 372 L HN 0.127 nan 8.230 nan 0.000 0.447 373 A N -2.060 120.762 122.820 0.004 0.000 2.259 373 A HA 0.405 4.725 4.320 -0.000 0.000 0.213 373 A C 2.090 179.675 177.584 0.002 0.000 1.209 373 A CA 0.405 52.443 52.037 0.002 0.000 0.910 373 A CB -0.564 18.435 19.000 -0.001 0.000 0.946 373 A HN 0.369 nan 8.150 nan 0.000 0.497 374 G N -0.010 108.792 108.800 0.003 0.000 2.403 374 G HA2 0.375 4.335 3.960 -0.000 0.000 0.216 374 G HA3 0.375 4.335 3.960 -0.000 0.000 0.216 374 G C 1.159 176.060 174.900 0.001 0.000 1.154 374 G CA 0.756 45.857 45.100 0.002 0.000 0.784 374 G HN 1.694 nan 8.290 nan 0.000 0.538 375 G N -1.705 107.098 108.800 0.004 0.000 2.741 375 G HA2 0.038 3.998 3.960 -0.000 0.000 0.222 375 G HA3 0.038 3.998 3.960 -0.000 0.000 0.222 375 G C -0.668 174.231 174.900 -0.001 0.000 1.364 375 G CA -0.319 44.783 45.100 0.003 0.000 0.866 375 G HN 1.054 nan 8.290 nan 0.000 0.555 376 V N 0.196 120.107 119.914 -0.004 0.000 2.588 376 V HA 0.758 4.878 4.120 -0.000 0.000 0.304 376 V C 0.785 176.871 176.094 -0.013 0.000 1.042 376 V CA -0.153 62.141 62.300 -0.011 0.000 0.877 376 V CB 1.336 33.151 31.823 -0.013 0.000 0.996 376 V HN 2.147 nan 8.190 nan 0.000 0.425 377 A N 4.073 126.882 122.820 -0.017 0.000 2.363 377 A HA 0.715 5.035 4.320 -0.000 0.000 0.270 377 A C -0.397 177.175 177.584 -0.020 0.000 1.121 377 A CA -0.276 51.750 52.037 -0.017 0.000 0.800 377 A CB 0.650 19.639 19.000 -0.019 0.000 1.052 377 A HN 0.856 nan 8.150 nan 0.000 0.493 378 V N 4.994 124.898 119.914 -0.018 0.000 2.380 378 V HA 0.256 4.376 4.120 -0.000 0.000 0.286 378 V C -0.202 175.882 176.094 -0.017 0.000 1.015 378 V CA -0.130 62.159 62.300 -0.019 0.000 0.834 378 V CB 0.851 32.664 31.823 -0.016 0.000 1.009 378 V HN 0.752 nan 8.190 nan 0.000 0.428 379 I N 4.528 125.087 120.570 -0.018 0.000 2.395 379 I HA 0.347 4.517 4.170 -0.000 0.000 0.289 379 I C 0.393 176.501 176.117 -0.013 0.000 1.023 379 I CA -0.195 61.095 61.300 -0.016 0.000 1.350 379 I CB 0.915 38.905 38.000 -0.017 0.000 1.409 379 I HN 0.474 nan 8.210 nan 0.000 0.507 380 K N 6.053 126.446 120.400 -0.011 0.000 2.473 380 K HA 0.380 4.700 4.320 -0.000 0.000 0.246 380 K C -0.853 175.743 176.600 -0.008 0.000 1.011 380 K CA -0.611 55.670 56.287 -0.009 0.000 0.984 380 K CB 1.653 34.148 32.500 -0.009 0.000 1.250 380 K HN 0.336 nan 8.250 nan 0.000 0.454 381 V N 2.144 122.054 119.914 -0.007 0.000 2.673 381 V HA 0.089 4.209 4.120 -0.000 0.000 0.303 381 V C 0.934 177.026 176.094 -0.005 0.000 1.046 381 V CA 0.205 62.501 62.300 -0.005 0.000 1.126 381 V CB 0.927 32.748 31.823 -0.004 0.000 0.934 381 V HN 0.875 nan 8.190 nan 0.000 0.487 382 G N 2.587 111.385 108.800 -0.004 0.000 2.481 382 G HA2 0.866 4.826 3.960 -0.000 0.000 0.315 382 G HA3 0.866 4.826 3.960 -0.000 0.000 0.315 382 G C -0.758 174.140 174.900 -0.003 0.000 1.231 382 G CA -0.001 45.097 45.100 -0.004 0.000 0.968 382 G HN 1.207 nan 8.290 nan 0.000 0.482 383 A N -0.529 122.289 122.820 -0.003 0.000 2.557 383 A HA 0.835 5.155 4.320 -0.000 0.000 0.292 383 A C 0.930 178.513 177.584 -0.002 0.000 1.139 383 A CA 0.461 52.497 52.037 -0.003 0.000 0.665 383 A CB 0.490 19.489 19.000 -0.002 0.000 1.285 383 A HN 1.870 nan 8.150 nan 0.000 0.433 384 A N -0.400 122.419 122.820 -0.002 0.000 1.873 384 A HA 0.375 4.695 4.320 -0.000 0.000 0.215 384 A C 1.370 178.953 177.584 -0.002 0.000 1.186 384 A CA 2.508 54.544 52.037 -0.002 0.000 0.616 384 A CB -0.788 18.211 19.000 -0.002 0.000 0.823 384 A HN 2.133 nan 8.150 nan 0.000 0.442 385 T N -4.280 110.273 114.554 -0.002 0.000 2.924 385 T HA 0.460 4.810 4.350 -0.000 0.000 0.291 385 T C 0.527 175.226 174.700 -0.002 0.000 1.045 385 T CA 0.094 62.193 62.100 -0.002 0.000 1.015 385 T CB 1.914 70.781 68.868 -0.001 0.000 1.103 385 T HN 0.321 nan 8.240 nan 0.000 0.496 386 E N 0.337 120.536 120.200 -0.002 0.000 2.171 386 E HA -0.154 4.196 4.350 -0.000 0.000 0.197 386 E C 1.691 178.291 176.600 -0.001 0.000 0.997 386 E CA 1.426 57.825 56.400 -0.001 0.000 0.810 386 E CB -0.161 29.538 29.700 -0.001 0.000 0.738 386 E HN 0.562 nan 8.360 nan 0.000 0.467 387 V N 1.338 121.251 119.914 -0.001 0.000 2.244 387 V HA -0.252 3.868 4.120 -0.000 0.000 0.244 387 V C 2.170 178.264 176.094 -0.001 0.000 1.042 387 V CA 2.222 64.521 62.300 -0.001 0.000 1.006 387 V CB -0.702 31.121 31.823 -0.001 0.000 0.641 387 V HN 0.290 nan 8.190 nan 0.000 0.446 388 E N -0.156 120.043 120.200 -0.001 0.000 2.086 388 E HA -0.315 4.035 4.350 -0.000 0.000 0.200 388 E C 2.201 178.800 176.600 -0.001 0.000 1.012 388 E CA 1.828 58.227 56.400 -0.001 0.000 0.812 388 E CB -0.325 29.374 29.700 -0.002 0.000 0.743 388 E HN 0.434 nan 8.360 nan 0.000 0.453 389 M N 1.158 120.757 119.600 -0.001 0.000 2.086 389 M HA -0.169 4.311 4.480 -0.000 0.000 0.261 389 M C 1.736 178.036 176.300 -0.001 0.000 1.067 389 M CA 1.641 56.940 55.300 -0.001 0.000 1.116 389 M CB -0.251 32.348 32.600 -0.002 0.000 1.348 389 M HN -0.118 nan 8.290 nan 0.000 0.407 390 K N 0.144 120.544 120.400 -0.000 0.000 2.209 390 K HA -0.142 4.178 4.320 -0.000 0.000 0.204 390 K C 1.955 178.556 176.600 0.002 0.000 1.048 390 K CA 0.921 57.208 56.287 0.001 0.000 0.940 390 K CB -0.421 32.080 32.500 0.001 0.000 0.729 390 K HN 0.438 nan 8.250 nan 0.000 0.451 391 E N 1.474 121.674 120.200 0.001 0.000 2.028 391 E HA -0.148 4.202 4.350 -0.000 0.000 0.190 391 E C 1.959 178.560 176.600 0.002 0.000 0.984 391 E CA 1.107 57.508 56.400 0.001 0.000 0.800 391 E CB 0.076 29.776 29.700 0.000 0.000 0.758 391 E HN 0.191 nan 8.360 nan 0.000 0.448 392 K N 1.117 121.517 120.400 0.001 0.000 2.063 392 K HA -0.192 4.128 4.320 -0.000 0.000 0.208 392 K C 2.265 178.866 176.600 0.002 0.000 1.048 392 K CA 1.839 58.127 56.287 0.001 0.000 0.928 392 K CB -0.175 32.325 32.500 -0.000 0.000 0.713 392 K HN -0.081 nan 8.250 nan 0.000 0.442 393 K N 0.037 120.438 120.400 0.002 0.000 2.211 393 K HA -0.150 4.170 4.320 -0.000 0.000 0.204 393 K C 1.767 178.372 176.600 0.008 0.000 1.047 393 K CA 1.200 57.489 56.287 0.003 0.000 0.935 393 K CB -0.125 32.376 32.500 0.002 0.000 0.728 393 K HN 0.261 nan 8.250 nan 0.000 0.452 394 A N 1.384 124.209 122.820 0.009 0.000 1.854 394 A HA -0.082 4.238 4.320 -0.000 0.000 0.214 394 A C 2.092 179.687 177.584 0.017 0.000 1.192 394 A CA 1.124 53.170 52.037 0.014 0.000 0.611 394 A CB -0.415 18.591 19.000 0.009 0.000 0.832 394 A HN 0.309 nan 8.150 nan 0.000 0.442 395 R N -0.584 119.923 120.500 0.012 0.000 2.091 395 R HA -0.106 4.234 4.340 -0.000 0.000 0.238 395 R C 2.038 178.347 176.300 0.015 0.000 1.136 395 R CA 1.553 57.660 56.100 0.012 0.000 0.959 395 R CB -0.562 29.742 30.300 0.006 0.000 0.856 395 R HN 0.387 nan 8.270 nan 0.000 0.437 396 V N 1.034 120.954 119.914 0.010 0.000 2.343 396 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 396 V C 1.996 178.097 176.094 0.012 0.000 1.051 396 V CA 1.763 64.067 62.300 0.006 0.000 1.036 396 V CB -0.412 31.410 31.823 -0.001 0.000 0.654 396 V HN 0.356 nan 8.190 nan 0.000 0.451 397 E N -0.339 119.873 120.200 0.021 0.000 2.153 397 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 397 E C 1.871 178.531 176.600 0.099 0.000 0.988 397 E CA 1.326 57.749 56.400 0.040 0.000 0.811 397 E CB -0.052 29.678 29.700 0.050 0.000 0.746 397 E HN 0.644 nan 8.360 nan 0.000 0.466 398 D N -0.208 120.243 120.400 0.085 0.000 2.162 398 D HA -0.034 4.606 4.640 -0.000 0.000 0.205 398 D C 1.858 178.216 176.300 0.097 0.000 0.964 398 D CA 0.879 54.942 54.000 0.105 0.000 0.847 398 D CB -0.007 40.824 40.800 0.052 0.000 0.988 398 D HN 0.113 nan 8.370 nan 0.000 0.480 399 A N 1.101 123.952 122.820 0.052 0.000 1.969 399 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 399 A C 2.121 179.723 177.584 0.030 0.000 1.169 399 A CA 0.724 52.783 52.037 0.036 0.000 0.635 399 A CB -0.555 18.456 19.000 0.017 0.000 0.810 399 A HN 0.192 nan 8.150 nan 0.000 0.445 400 L N -1.275 119.954 121.223 0.010 0.000 2.362 400 L HA -0.107 4.233 4.340 -0.000 0.000 0.219 400 L C 2.147 178.976 176.870 -0.069 0.000 1.134 400 L CA 1.652 56.465 54.840 -0.044 0.000 0.807 400 L CB -0.523 41.482 42.059 -0.090 0.000 0.927 400 L HN 0.479 nan 8.230 nan 0.000 0.447 401 H N -1.287 117.782 119.070 -0.002 0.000 2.370 401 H HA 0.193 4.749 4.556 -0.000 0.000 0.304 401 H C 2.106 177.435 175.328 0.001 0.000 1.055 401 H CA 1.111 57.158 56.048 -0.001 0.000 1.373 401 H CB 0.008 29.769 29.762 -0.001 0.000 1.423 401 H HN 0.405 nan 8.280 nan 0.000 0.533 402 A N 0.302 123.208 122.820 0.143 0.000 1.902 402 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 402 A C 2.588 180.203 177.584 0.052 0.000 1.181 402 A CA 2.095 54.178 52.037 0.077 0.000 0.623 402 A CB -0.950 18.080 19.000 0.050 0.000 0.818 402 A HN 0.374 nan 8.150 nan 0.000 0.443 403 T N -0.428 114.149 114.554 0.038 0.000 2.652 403 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 403 T C 2.067 176.778 174.700 0.017 0.000 1.039 403 T CA 1.464 63.575 62.100 0.019 0.000 1.153 403 T CB -0.266 68.604 68.868 0.004 0.000 0.863 403 T HN 0.399 nan 8.240 nan 0.000 0.428 404 R N 0.752 121.261 120.500 0.015 0.000 2.200 404 R HA 0.036 4.376 4.340 -0.000 0.000 0.234 404 R C 2.403 178.721 176.300 0.031 0.000 1.127 404 R CA 1.081 57.189 56.100 0.013 0.000 0.989 404 R CB -0.429 29.869 30.300 -0.002 0.000 0.869 404 R HN 0.389 nan 8.270 nan 0.000 0.459 405 A N -0.020 122.827 122.820 0.045 0.000 2.123 405 A HA 0.159 4.479 4.320 -0.000 0.000 0.214 405 A C 2.030 179.633 177.584 0.031 0.000 1.152 405 A CA 1.057 53.121 52.037 0.044 0.000 0.728 405 A CB 0.047 19.080 19.000 0.054 0.000 0.814 405 A HN 0.306 nan 8.150 nan 0.000 0.464 406 A N -0.893 121.942 122.820 0.025 0.000 1.956 406 A HA 0.245 4.565 4.320 -0.000 0.000 0.212 406 A C 1.954 179.547 177.584 0.015 0.000 1.188 406 A CA 1.052 53.100 52.037 0.019 0.000 0.675 406 A CB -0.449 18.560 19.000 0.016 0.000 0.845 406 A HN 0.243 nan 8.150 nan 0.000 0.455 407 V N 0.506 120.429 119.914 0.014 0.000 2.594 407 V HA -0.225 3.895 4.120 -0.000 0.000 0.253 407 V C 2.309 178.410 176.094 0.012 0.000 1.069 407 V CA 2.239 64.545 62.300 0.011 0.000 1.082 407 V CB -0.593 31.234 31.823 0.007 0.000 0.680 407 V HN 0.614 nan 8.190 nan 0.000 0.469 408 E N -0.252 119.957 120.200 0.016 0.000 2.042 408 E HA -0.080 4.270 4.350 -0.000 0.000 0.189 408 E C 1.527 178.136 176.600 0.015 0.000 0.974 408 E CA 1.006 57.416 56.400 0.016 0.000 0.806 408 E CB 0.075 29.788 29.700 0.021 0.000 0.769 408 E HN 0.624 nan 8.360 nan 0.000 0.451 409 E N -0.299 119.910 120.200 0.016 0.000 2.660 409 E HA 0.237 4.587 4.350 -0.000 0.000 0.216 409 E C 0.117 176.725 176.600 0.013 0.000 0.986 409 E CA 0.046 56.455 56.400 0.014 0.000 1.037 409 E CB 1.576 31.285 29.700 0.014 0.000 1.041 409 E HN 0.251 nan 8.360 nan 0.000 0.480 410 G N 1.172 109.980 108.800 0.014 0.000 2.725 410 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.220 410 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.220 410 G C -0.322 174.586 174.900 0.014 0.000 1.357 410 G CA -0.426 44.682 45.100 0.013 0.000 0.866 410 G HN 0.526 nan 8.290 nan 0.000 0.548 411 V N -2.189 117.732 119.914 0.013 0.000 3.001 411 V HA 0.993 5.113 4.120 -0.000 0.000 0.314 411 V C 0.500 176.602 176.094 0.013 0.000 1.099 411 V CA 0.373 62.681 62.300 0.013 0.000 0.989 411 V CB 1.551 33.381 31.823 0.011 0.000 1.040 411 V HN 2.539 nan 8.190 nan 0.000 0.434 412 V N -0.147 119.774 119.914 0.012 0.000 3.167 412 V HA 1.010 5.130 4.120 -0.000 0.000 0.310 412 V C 0.407 176.507 176.094 0.010 0.000 1.207 412 V CA -0.693 61.615 62.300 0.014 0.000 1.059 412 V CB 1.221 33.053 31.823 0.015 0.000 1.079 412 V HN 2.219 nan 8.190 nan 0.000 0.446 413 A N 0.788 123.616 122.820 0.012 0.000 2.546 413 A HA 0.630 4.950 4.320 -0.000 0.000 0.243 413 A C 0.931 178.515 177.584 -0.001 0.000 1.063 413 A CA 0.678 52.718 52.037 0.005 0.000 0.757 413 A CB -0.525 18.481 19.000 0.010 0.000 0.991 413 A HN 2.009 nan 8.150 nan 0.000 0.503 414 G N 1.007 109.800 108.800 -0.012 0.000 2.546 414 G HA2 0.478 4.438 3.960 -0.000 0.000 0.239 414 G HA3 0.478 4.438 3.960 -0.000 0.000 0.239 414 G C 1.215 176.103 174.900 -0.020 0.000 1.476 414 G CA 0.036 45.127 45.100 -0.015 0.000 1.064 414 G HN 2.217 nan 8.290 nan 0.000 0.561 415 G N -1.649 107.136 108.800 -0.026 0.000 2.309 415 G HA2 0.180 4.140 3.960 -0.000 0.000 0.286 415 G HA3 0.180 4.140 3.960 -0.000 0.000 0.286 415 G C 1.539 176.437 174.900 -0.003 0.000 1.002 415 G CA 1.450 46.535 45.100 -0.025 0.000 0.786 415 G HN 2.419 nan 8.290 nan 0.000 0.511 416 G N -2.618 106.182 108.800 0.001 0.000 2.184 416 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.264 416 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.264 416 G C 1.807 176.715 174.900 0.015 0.000 0.975 416 G CA 1.896 47.002 45.100 0.010 0.000 0.642 416 G HN 2.167 nan 8.290 nan 0.000 0.536 417 V N -1.987 117.935 119.914 0.013 0.000 2.453 417 V HA 0.359 4.479 4.120 -0.000 0.000 0.247 417 V C 2.896 179.006 176.094 0.027 0.000 1.048 417 V CA 1.925 64.238 62.300 0.022 0.000 1.049 417 V CB -1.038 30.794 31.823 0.016 0.000 0.672 417 V HN 1.463 nan 8.190 nan 0.000 0.457 418 A N 1.047 123.879 122.820 0.021 0.000 1.927 418 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 418 A C 2.248 179.846 177.584 0.023 0.000 1.185 418 A CA 2.621 54.671 52.037 0.023 0.000 0.639 418 A CB -0.782 18.228 19.000 0.017 0.000 0.820 418 A HN 0.629 nan 8.150 nan 0.000 0.451 419 L N -1.294 119.941 121.223 0.020 0.000 2.044 419 L HA -0.044 4.296 4.340 -0.000 0.000 0.205 419 L C 2.482 179.366 176.870 0.023 0.000 1.075 419 L CA 1.232 56.084 54.840 0.019 0.000 0.747 419 L CB -0.355 41.714 42.059 0.017 0.000 0.903 419 L HN 0.441 nan 8.230 nan 0.000 0.435 420 I N -0.204 120.382 120.570 0.026 0.000 2.454 420 I HA -0.304 3.866 4.170 -0.000 0.000 0.254 420 I C 2.752 178.892 176.117 0.038 0.000 1.156 420 I CA 0.908 62.226 61.300 0.030 0.000 1.433 420 I CB 0.034 38.054 38.000 0.033 0.000 1.082 420 I HN 0.215 nan 8.210 nan 0.000 0.432 421 R N 0.283 120.809 120.500 0.043 0.000 2.057 421 R HA -0.090 4.250 4.340 -0.000 0.000 0.229 421 R C 2.055 178.376 176.300 0.036 0.000 1.136 421 R CA 1.990 58.119 56.100 0.049 0.000 0.952 421 R CB -1.068 29.265 30.300 0.055 0.000 0.848 421 R HN 0.181 nan 8.270 nan 0.000 0.430 422 V N 1.237 121.169 119.914 0.029 0.000 2.380 422 V HA -0.285 3.835 4.120 -0.000 0.000 0.251 422 V C 2.295 178.400 176.094 0.019 0.000 1.063 422 V CA 2.100 64.413 62.300 0.022 0.000 1.055 422 V CB -0.872 30.962 31.823 0.017 0.000 0.657 422 V HN 0.597 nan 8.190 nan 0.000 0.455 423 A N 0.201 123.033 122.820 0.020 0.000 1.872 423 A HA -0.164 4.156 4.320 -0.000 0.000 0.214 423 A C 2.504 180.099 177.584 0.018 0.000 1.187 423 A CA 1.930 53.977 52.037 0.018 0.000 0.614 423 A CB -0.737 18.274 19.000 0.018 0.000 0.826 423 A HN 0.698 nan 8.150 nan 0.000 0.442 424 S N -0.287 115.428 115.700 0.024 0.000 2.474 424 S HA -0.090 4.380 4.470 -0.000 0.000 0.235 424 S C 1.602 176.214 174.600 0.019 0.000 0.997 424 S CA 1.400 59.613 58.200 0.023 0.000 0.949 424 S CB -0.305 62.914 63.200 0.031 0.000 0.766 424 S HN 0.563 nan 8.310 nan 0.000 0.517 425 K N 0.415 120.826 120.400 0.019 0.000 2.432 425 K HA 0.275 4.595 4.320 -0.000 0.000 0.196 425 K C 0.679 177.285 176.600 0.011 0.000 1.038 425 K CA 0.437 56.733 56.287 0.016 0.000 0.986 425 K CB -0.091 32.419 32.500 0.017 0.000 0.782 425 K HN 0.428 nan 8.250 nan 0.000 0.485 426 L N -0.318 120.911 121.223 0.011 0.000 2.965 426 L HA 0.246 4.586 4.340 -0.000 0.000 0.254 426 L C 1.465 178.339 176.870 0.007 0.000 1.220 426 L CA -0.276 54.569 54.840 0.008 0.000 1.023 426 L CB 0.535 42.598 42.059 0.007 0.000 1.355 426 L HN 0.015 nan 8.230 nan 0.000 0.545 427 A N -0.134 122.691 122.820 0.008 0.000 2.019 427 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 427 A C 1.666 179.253 177.584 0.005 0.000 1.164 427 A CA 1.763 53.804 52.037 0.007 0.000 0.644 427 A CB -0.192 18.812 19.000 0.007 0.000 0.805 427 A HN 0.339 nan 8.150 nan 0.000 0.449 428 D N -1.049 119.353 120.400 0.004 0.000 2.234 428 D HA 0.055 4.695 4.640 -0.000 0.000 0.205 428 D C 0.653 176.955 176.300 0.003 0.000 0.962 428 D CA -0.013 53.989 54.000 0.003 0.000 0.855 428 D CB -0.259 40.542 40.800 0.003 0.000 0.951 428 D HN 0.333 nan 8.370 nan 0.000 0.500 429 L N 1.651 122.876 121.223 0.003 0.000 2.559 429 L HA 0.045 4.385 4.340 -0.000 0.000 0.282 429 L C 0.184 177.056 176.870 0.002 0.000 1.232 429 L CA 0.751 55.593 54.840 0.003 0.000 0.885 429 L CB 0.010 42.071 42.059 0.003 0.000 1.131 429 L HN -0.117 nan 8.230 nan 0.000 0.498 430 R N 2.977 123.478 120.500 0.002 0.000 2.869 430 R HA 0.781 5.121 4.340 -0.000 0.000 0.263 430 R C -0.330 175.971 176.300 0.001 0.000 1.066 430 R CA -0.342 55.759 56.100 0.001 0.000 0.960 430 R CB 1.429 31.730 30.300 0.001 0.000 1.221 430 R HN 0.814 nan 8.270 nan 0.000 0.474 431 G N -0.601 108.200 108.800 0.001 0.000 3.140 431 G HA2 0.242 4.202 3.960 -0.000 0.000 0.271 431 G HA3 0.242 4.202 3.960 -0.000 0.000 0.271 431 G C -0.009 174.891 174.900 0.001 0.000 1.370 431 G CA -0.345 44.755 45.100 0.001 0.000 1.014 431 G HN 0.390 nan 8.290 nan 0.000 0.541 432 Q N -0.705 119.095 119.800 0.001 0.000 2.291 432 Q HA -0.021 4.319 4.340 -0.000 0.000 0.206 432 Q C 0.281 176.281 176.000 0.001 0.000 0.976 432 Q CA 1.427 57.230 55.803 0.001 0.000 0.875 432 Q CB -0.077 28.661 28.738 0.001 0.000 0.927 432 Q HN 0.608 nan 8.270 nan 0.000 0.450 433 N N -2.756 115.944 118.700 0.001 0.000 2.927 433 N HA 0.036 4.776 4.740 -0.000 0.000 0.248 433 N C -0.225 175.286 175.510 0.001 0.000 1.443 433 N CA -0.519 52.532 53.050 0.001 0.000 0.870 433 N CB 0.564 39.052 38.487 0.001 0.000 1.444 433 N HN -0.308 nan 8.380 nan 0.000 0.519 434 E N -0.132 120.069 120.200 0.001 0.000 2.097 434 E HA -0.189 4.161 4.350 -0.000 0.000 0.196 434 E C 0.497 177.098 176.600 0.002 0.000 1.000 434 E CA 1.861 58.261 56.400 0.001 0.000 0.804 434 E CB -0.306 29.395 29.700 0.001 0.000 0.740 434 E HN 0.603 nan 8.360 nan 0.000 0.454 435 D N 0.080 120.481 120.400 0.002 0.000 2.087 435 D HA -0.197 4.443 4.640 -0.000 0.000 0.192 435 D C 1.989 178.291 176.300 0.003 0.000 0.993 435 D CA 1.268 55.270 54.000 0.002 0.000 0.828 435 D CB -0.419 40.383 40.800 0.003 0.000 0.968 435 D HN 0.346 nan 8.370 nan 0.000 0.448 436 Q N 0.122 119.924 119.800 0.002 0.000 2.197 436 Q HA -0.153 4.187 4.340 -0.000 0.000 0.207 436 Q C 1.901 177.903 176.000 0.002 0.000 0.984 436 Q CA 0.874 56.678 55.803 0.002 0.000 0.869 436 Q CB -0.001 28.738 28.738 0.002 0.000 0.906 436 Q HN 0.261 nan 8.270 nan 0.000 0.426 437 N N -0.247 118.454 118.700 0.002 0.000 2.084 437 N HA -0.133 4.607 4.740 -0.000 0.000 0.190 437 N C 1.854 177.366 175.510 0.003 0.000 1.030 437 N CA 1.116 54.167 53.050 0.002 0.000 0.849 437 N CB -0.383 38.105 38.487 0.002 0.000 1.012 437 N HN 0.062 nan 8.380 nan 0.000 0.423 438 V N 1.188 121.104 119.914 0.003 0.000 2.287 438 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 438 V C 2.498 178.594 176.094 0.004 0.000 1.053 438 V CA 2.082 64.384 62.300 0.003 0.000 1.027 438 V CB -1.348 30.477 31.823 0.003 0.000 0.646 438 V HN 0.355 nan 8.190 nan 0.000 0.447 439 G N -0.137 108.666 108.800 0.004 0.000 2.513 439 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.219 439 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.219 439 G C 1.514 176.416 174.900 0.004 0.000 1.160 439 G CA 1.449 46.551 45.100 0.004 0.000 0.767 439 G HN 0.436 nan 8.290 nan 0.000 0.571 440 I N 0.736 121.308 120.570 0.003 0.000 2.090 440 I HA -0.086 4.084 4.170 -0.000 0.000 0.236 440 I C 2.641 178.760 176.117 0.004 0.000 1.064 440 I CA 1.268 62.570 61.300 0.003 0.000 1.324 440 I CB -0.159 37.843 38.000 0.003 0.000 1.044 440 I HN -0.049 nan 8.210 nan 0.000 0.399 441 K N 0.148 120.551 120.400 0.004 0.000 2.218 441 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 441 K C 2.166 178.769 176.600 0.005 0.000 1.046 441 K CA 1.093 57.383 56.287 0.005 0.000 0.933 441 K CB -0.780 31.722 32.500 0.004 0.000 0.728 441 K HN 0.242 nan 8.250 nan 0.000 0.454 442 V N 1.187 121.104 119.914 0.005 0.000 2.323 442 V HA -0.203 3.917 4.120 -0.000 0.000 0.244 442 V C 2.438 178.536 176.094 0.007 0.000 1.041 442 V CA 1.851 64.155 62.300 0.006 0.000 1.025 442 V CB -0.632 31.195 31.823 0.006 0.000 0.656 442 V HN 0.298 nan 8.190 nan 0.000 0.451 443 A N -0.276 122.548 122.820 0.007 0.000 1.902 443 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 443 A C 2.188 179.777 177.584 0.008 0.000 1.181 443 A CA 1.799 53.840 52.037 0.007 0.000 0.623 443 A CB -0.528 18.475 19.000 0.005 0.000 0.818 443 A HN 0.503 nan 8.150 nan 0.000 0.443 444 L N -1.363 119.864 121.223 0.007 0.000 2.017 444 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 444 L C 2.808 179.683 176.870 0.010 0.000 1.073 444 L CA 1.807 56.652 54.840 0.009 0.000 0.745 444 L CB -0.605 41.459 42.059 0.008 0.000 0.894 444 L HN 0.428 nan 8.230 nan 0.000 0.432 445 R N 0.290 120.795 120.500 0.009 0.000 2.103 445 R HA -0.212 4.128 4.340 -0.000 0.000 0.242 445 R C 2.321 178.626 176.300 0.009 0.000 1.142 445 R CA 1.620 57.725 56.100 0.008 0.000 0.960 445 R CB -0.244 30.060 30.300 0.007 0.000 0.858 445 R HN 0.385 nan 8.270 nan 0.000 0.439 446 A N 0.500 123.326 122.820 0.009 0.000 1.933 446 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 446 A C 2.057 179.648 177.584 0.011 0.000 1.175 446 A CA 1.372 53.415 52.037 0.010 0.000 0.628 446 A CB -0.372 18.635 19.000 0.011 0.000 0.814 446 A HN 0.343 nan 8.150 nan 0.000 0.444 447 M N -0.414 119.193 119.600 0.012 0.000 2.706 447 M HA -0.123 4.357 4.480 -0.000 0.000 0.251 447 M C 1.274 177.582 176.300 0.014 0.000 1.070 447 M CA 0.982 56.290 55.300 0.013 0.000 1.073 447 M CB -0.236 32.372 32.600 0.013 0.000 1.449 447 M HN 0.475 nan 8.290 nan 0.000 0.531 448 E N -0.130 120.078 120.200 0.013 0.000 2.400 448 E HA 0.064 4.414 4.350 -0.000 0.000 0.195 448 E C 2.056 178.663 176.600 0.011 0.000 1.012 448 E CA 0.341 56.749 56.400 0.013 0.000 0.875 448 E CB 0.132 29.839 29.700 0.012 0.000 0.859 448 E HN 0.489 nan 8.360 nan 0.000 0.498 449 A N 2.581 125.407 122.820 0.011 0.000 1.859 449 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 449 A C -0.345 177.245 177.584 0.010 0.000 1.209 449 A CA 1.633 53.676 52.037 0.010 0.000 0.639 449 A CB -1.702 17.304 19.000 0.010 0.000 0.835 449 A HN 0.120 nan 8.150 nan 0.000 0.450 450 P HA -0.218 nan 4.420 nan 0.000 0.217 450 P C 1.831 179.138 177.300 0.012 0.000 1.162 450 P CA 1.392 64.498 63.100 0.011 0.000 0.901 450 P CB -0.161 31.546 31.700 0.012 0.000 0.793 451 L N -1.022 120.209 121.223 0.014 0.000 1.994 451 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 451 L C 2.522 179.402 176.870 0.016 0.000 1.071 451 L CA 1.724 56.575 54.840 0.019 0.000 0.745 451 L CB -0.349 41.722 42.059 0.019 0.000 0.892 451 L HN -0.173 nan 8.230 nan 0.000 0.431 452 R N -0.761 119.744 120.500 0.008 0.000 2.170 452 R HA -0.258 4.082 4.340 -0.000 0.000 0.242 452 R C 2.197 178.501 176.300 0.007 0.000 1.145 452 R CA 1.724 57.826 56.100 0.003 0.000 0.984 452 R CB -0.187 30.114 30.300 0.001 0.000 0.869 452 R HN 0.424 nan 8.270 nan 0.000 0.455 453 Q N 0.771 120.577 119.800 0.010 0.000 2.062 453 Q HA -0.008 4.332 4.340 -0.000 0.000 0.196 453 Q C 1.817 177.826 176.000 0.014 0.000 0.967 453 Q CA 1.296 57.105 55.803 0.009 0.000 0.832 453 Q CB -0.007 28.735 28.738 0.007 0.000 0.899 453 Q HN 0.284 nan 8.270 nan 0.000 0.442 454 I N -0.407 120.174 120.570 0.017 0.000 2.118 454 I HA -0.315 3.855 4.170 -0.000 0.000 0.241 454 I C 2.127 178.267 176.117 0.038 0.000 1.070 454 I CA 1.153 62.466 61.300 0.021 0.000 1.327 454 I CB -0.510 37.504 38.000 0.023 0.000 1.034 454 I HN 0.085 nan 8.210 nan 0.000 0.405 455 V N 0.689 120.635 119.914 0.052 0.000 2.255 455 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 455 V C 2.432 178.548 176.094 0.037 0.000 1.051 455 V CA 1.975 64.314 62.300 0.065 0.000 1.018 455 V CB -0.512 31.321 31.823 0.016 0.000 0.641 455 V HN 0.352 nan 8.190 nan 0.000 0.445 456 L N 0.772 122.006 121.223 0.019 0.000 2.042 456 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 456 L C 2.184 179.063 176.870 0.014 0.000 1.076 456 L CA 1.979 56.827 54.840 0.013 0.000 0.749 456 L CB -1.129 40.935 42.059 0.008 0.000 0.893 456 L HN 0.350 nan 8.230 nan 0.000 0.432 457 N N -0.945 117.763 118.700 0.014 0.000 2.272 457 N HA -0.163 4.577 4.740 -0.000 0.000 0.185 457 N C 1.405 176.923 175.510 0.013 0.000 1.014 457 N CA 1.576 54.632 53.050 0.010 0.000 0.870 457 N CB -0.549 37.942 38.487 0.006 0.000 0.975 457 N HN 0.430 nan 8.380 nan 0.000 0.433 458 C N 0.302 119.615 119.300 0.022 0.000 2.559 458 C HA 0.334 4.793 4.460 -0.000 0.000 0.300 458 C C 1.473 176.481 174.990 0.029 0.000 1.288 458 C CA -0.433 58.600 59.018 0.027 0.000 1.699 458 C CB -1.214 26.552 27.740 0.044 0.000 1.819 458 C HN 0.535 nan 8.230 nan 0.000 0.600 459 G N 1.826 110.640 108.800 0.022 0.000 2.305 459 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.287 459 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.287 459 G C 0.023 174.937 174.900 0.024 0.000 1.036 459 G CA 0.379 45.491 45.100 0.019 0.000 0.887 459 G HN 0.544 nan 8.290 nan 0.000 0.505 460 E N -0.849 119.367 120.200 0.027 0.000 2.803 460 E HA 0.592 4.942 4.350 -0.000 0.000 0.250 460 E C 0.282 176.884 176.600 0.004 0.000 1.102 460 E CA -0.937 55.477 56.400 0.023 0.000 1.017 460 E CB 0.541 30.257 29.700 0.027 0.000 1.346 460 E HN 0.088 nan 8.360 nan 0.000 0.532 461 K N 1.468 121.862 120.400 -0.010 0.000 2.354 461 K HA 0.294 4.614 4.320 -0.000 0.000 0.257 461 K C -2.229 174.350 176.600 -0.035 0.000 1.062 461 K CA -2.257 54.020 56.287 -0.015 0.000 0.971 461 K CB 0.823 33.317 32.500 -0.010 0.000 1.305 461 K HN 0.003 nan 8.250 nan 0.000 0.449 462 P HA -0.219 nan 4.420 nan 0.000 0.215 462 P C 0.798 178.077 177.300 -0.035 0.000 1.163 462 P CA 1.242 64.323 63.100 -0.033 0.000 0.894 462 P CB 0.314 32.006 31.700 -0.014 0.000 0.791 463 S N -0.968 114.720 115.700 -0.021 0.000 2.353 463 S HA -0.152 4.318 4.470 -0.000 0.000 0.222 463 S C 1.945 176.535 174.600 -0.017 0.000 1.035 463 S CA 1.580 59.771 58.200 -0.014 0.000 1.025 463 S CB -1.255 61.940 63.200 -0.008 0.000 0.902 463 S HN -0.116 nan 8.310 nan 0.000 0.440 464 V N 1.549 121.452 119.914 -0.020 0.000 2.220 464 V HA -0.219 3.901 4.120 -0.000 0.000 0.250 464 V C 2.329 178.414 176.094 -0.015 0.000 1.056 464 V CA 2.087 64.378 62.300 -0.014 0.000 1.016 464 V CB -1.060 30.756 31.823 -0.013 0.000 0.639 464 V HN 0.382 nan 8.190 nan 0.000 0.446 465 V N 0.245 120.117 119.914 -0.070 0.000 2.453 465 V HA -0.290 3.830 4.120 -0.000 0.000 0.252 465 V C 2.613 178.663 176.094 -0.073 0.000 1.068 465 V CA 2.084 64.291 62.300 -0.155 0.000 1.070 465 V CB -1.295 30.253 31.823 -0.460 0.000 0.664 465 V HN 0.588 nan 8.190 nan 0.000 0.461 466 A N 0.426 123.221 122.820 -0.042 0.000 1.872 466 A HA -0.203 4.117 4.320 -0.000 0.000 0.214 466 A C 2.057 179.662 177.584 0.034 0.000 1.187 466 A CA 1.938 53.973 52.037 -0.003 0.000 0.614 466 A CB -0.751 18.247 19.000 -0.004 0.000 0.826 466 A HN 0.648 nan 8.150 nan 0.000 0.442 467 N N -0.425 118.292 118.700 0.028 0.000 2.104 467 N HA -0.125 4.615 4.740 -0.000 0.000 0.190 467 N C 1.648 177.197 175.510 0.064 0.000 1.024 467 N CA 1.829 54.901 53.050 0.036 0.000 0.853 467 N CB -0.304 38.194 38.487 0.017 0.000 1.008 467 N HN 0.481 nan 8.380 nan 0.000 0.424 468 T N 0.400 115.005 114.554 0.086 0.000 2.684 468 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 468 T C 2.120 176.976 174.700 0.260 0.000 1.036 468 T CA 0.986 63.167 62.100 0.135 0.000 1.148 468 T CB -0.446 68.515 68.868 0.156 0.000 0.863 468 T HN 0.012 nan 8.240 nan 0.000 0.436 469 V N 1.456 121.524 119.914 0.257 0.000 2.515 469 V HA -0.117 4.003 4.120 -0.000 0.000 0.250 469 V C 2.377 178.601 176.094 0.217 0.000 1.058 469 V CA 1.414 63.874 62.300 0.267 0.000 1.064 469 V CB -0.508 31.397 31.823 0.137 0.000 0.675 469 V HN 0.464 nan 8.190 nan 0.000 0.461 470 K N 0.142 120.623 120.400 0.134 0.000 2.365 470 K HA -0.010 4.310 4.320 -0.000 0.000 0.199 470 K C 2.137 178.785 176.600 0.081 0.000 1.045 470 K CA 0.935 57.277 56.287 0.092 0.000 0.962 470 K CB -0.254 32.281 32.500 0.057 0.000 0.759 470 K HN 0.570 nan 8.250 nan 0.000 0.469 471 G N 1.341 110.196 108.800 0.091 0.000 2.404 471 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.214 471 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.214 471 G C 0.888 175.790 174.900 0.003 0.000 1.189 471 G CA 0.583 45.705 45.100 0.037 0.000 0.789 471 G HN 0.369 nan 8.290 nan 0.000 0.533 472 G N -0.696 108.117 108.800 0.021 0.000 2.529 472 G HA2 0.399 4.359 3.960 -0.000 0.000 0.277 472 G HA3 0.399 4.359 3.960 -0.000 0.000 0.277 472 G C -0.962 173.948 174.900 0.017 0.000 1.383 472 G CA 0.236 45.259 45.100 -0.128 0.000 1.050 472 G HN 0.325 nan 8.290 nan 0.000 0.526 473 D N -3.566 116.845 120.400 0.017 0.000 2.570 473 D HA 0.537 5.177 4.640 -0.000 0.000 0.244 473 D C 0.624 176.980 176.300 0.094 0.000 1.178 473 D CA 1.093 55.125 54.000 0.053 0.000 0.881 473 D CB 1.516 42.322 40.800 0.009 0.000 1.453 473 D HN 1.187 nan 8.370 nan 0.000 0.447 474 G N 1.710 110.558 108.800 0.079 0.000 2.514 474 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.265 474 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.265 474 G C 0.070 175.030 174.900 0.101 0.000 1.150 474 G CA 0.267 45.415 45.100 0.080 0.000 0.959 474 G HN 0.586 nan 8.290 nan 0.000 0.556 475 N N 0.143 118.907 118.700 0.106 0.000 2.376 475 N HA 0.354 5.094 4.740 -0.000 0.000 0.249 475 N C -0.270 175.314 175.510 0.124 0.000 1.140 475 N CA -0.092 53.013 53.050 0.091 0.000 0.870 475 N CB 0.381 38.902 38.487 0.057 0.000 1.124 475 N HN 0.538 nan 8.380 nan 0.000 0.505 476 Y N 1.139 121.471 120.300 0.053 0.000 2.587 476 Y HA 0.440 4.990 4.550 -0.000 0.000 0.344 476 Y C 0.851 176.810 175.900 0.098 0.000 1.061 476 Y CA -0.337 57.810 58.100 0.078 0.000 1.370 476 Y CB -0.230 38.277 38.460 0.079 0.000 1.163 476 Y HN 0.130 nan 8.280 nan 0.000 0.527 477 G N 4.120 112.740 108.800 -0.300 0.000 3.252 477 G HA2 0.289 4.249 3.960 -0.000 0.000 0.181 477 G HA3 0.289 4.249 3.960 -0.000 0.000 0.181 477 G C -2.153 172.576 174.900 -0.285 0.000 1.187 477 G CA -0.701 44.270 45.100 -0.215 0.000 0.886 477 G HN 0.484 nan 8.290 nan 0.000 0.615 478 Y N 1.160 121.246 120.300 -0.357 0.000 2.400 478 Y HA 0.422 4.972 4.550 -0.000 0.000 0.335 478 Y C -0.424 175.282 175.900 -0.324 0.000 1.066 478 Y CA -1.449 56.346 58.100 -0.509 0.000 1.285 478 Y CB 0.865 38.945 38.460 -0.634 0.000 1.103 478 Y HN 0.415 nan 8.280 nan 0.000 0.490 479 N N 4.333 122.684 118.700 -0.582 0.000 2.406 479 N HA 0.069 4.809 4.740 -0.000 0.000 0.274 479 N C 0.814 175.835 175.510 -0.815 0.000 1.249 479 N CA 0.928 53.682 53.050 -0.493 0.000 0.951 479 N CB 1.220 39.519 38.487 -0.314 0.000 1.241 479 N HN 0.833 nan 8.380 nan 0.000 0.485 480 A N 3.541 125.933 122.820 -0.713 0.000 2.216 480 A HA 0.034 4.354 4.320 -0.000 0.000 0.214 480 A C 1.949 179.325 177.584 -0.346 0.000 1.160 480 A CA 1.246 52.894 52.037 -0.649 0.000 0.725 480 A CB -0.282 18.587 19.000 -0.219 0.000 0.784 480 A HN 0.718 nan 8.150 nan 0.000 0.472 481 A N -0.483 122.169 122.820 -0.280 0.000 2.016 481 A HA 0.082 4.402 4.320 -0.000 0.000 0.217 481 A C 1.935 179.426 177.584 -0.155 0.000 1.162 481 A CA 1.856 53.792 52.037 -0.168 0.000 0.662 481 A CB -0.439 18.483 19.000 -0.130 0.000 0.812 481 A HN 0.795 nan 8.150 nan 0.000 0.450 482 T N -3.987 110.441 114.554 -0.210 0.000 3.231 482 T HA 0.374 4.724 4.350 -0.000 0.000 0.292 482 T C 0.018 174.628 174.700 -0.150 0.000 1.001 482 T CA 0.536 62.549 62.100 -0.144 0.000 0.920 482 T CB -0.190 68.612 68.868 -0.111 0.000 1.140 482 T HN 0.390 nan 8.240 nan 0.000 0.525 483 E N 0.944 120.995 120.200 -0.249 0.000 2.670 483 E HA -0.224 4.126 4.350 -0.000 0.000 0.257 483 E C -0.338 176.271 176.600 0.015 0.000 1.186 483 E CA 1.218 57.546 56.400 -0.120 0.000 0.734 483 E CB -1.594 28.152 29.700 0.077 0.000 1.325 483 E HN 0.804 nan 8.360 nan 0.000 0.426 484 E N -0.082 120.040 120.200 -0.129 0.000 2.176 484 E HA 0.315 4.665 4.350 -0.000 0.000 0.267 484 E C -0.438 176.177 176.600 0.026 0.000 0.893 484 E CA -0.828 55.614 56.400 0.070 0.000 0.761 484 E CB 0.897 30.624 29.700 0.045 0.000 1.133 484 E HN 0.028 nan 8.360 nan 0.000 0.409 485 Y N 1.133 121.468 120.300 0.057 0.000 2.258 485 Y HA 0.516 5.066 4.550 -0.000 0.000 0.345 485 Y C 1.369 177.209 175.900 -0.099 0.000 1.303 485 Y CA 0.486 58.547 58.100 -0.064 0.000 1.537 485 Y CB 0.681 39.107 38.460 -0.056 0.000 1.383 485 Y HN 0.746 nan 8.280 nan 0.000 0.606 486 G N -0.076 108.656 108.800 -0.113 0.000 2.302 486 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.264 486 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.264 486 G C -1.609 173.304 174.900 0.021 0.000 1.335 486 G CA -1.061 44.086 45.100 0.079 0.000 0.982 486 G HN 0.638 nan 8.290 nan 0.000 0.473 487 N N 1.040 119.793 118.700 0.087 0.000 2.422 487 N HA 0.244 4.984 4.740 -0.000 0.000 0.264 487 N C 1.668 177.182 175.510 0.008 0.000 1.063 487 N CA -0.505 52.587 53.050 0.070 0.000 0.959 487 N CB 0.948 39.482 38.487 0.079 0.000 1.087 487 N HN 0.398 nan 8.380 nan 0.000 0.483 488 M N 3.430 123.024 119.600 -0.009 0.000 2.132 488 M HA -0.107 4.373 4.480 -0.000 0.000 0.263 488 M C 1.663 177.953 176.300 -0.016 0.000 1.065 488 M CA 0.938 56.219 55.300 -0.032 0.000 1.122 488 M CB -0.590 31.989 32.600 -0.034 0.000 1.365 488 M HN 0.543 nan 8.290 nan 0.000 0.411 489 I N 0.616 121.187 120.570 0.002 0.000 2.208 489 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 489 I C 1.728 177.847 176.117 0.002 0.000 1.097 489 I CA 1.627 62.930 61.300 0.004 0.000 1.363 489 I CB -1.580 36.428 38.000 0.013 0.000 1.051 489 I HN 0.227 nan 8.210 nan 0.000 0.413 490 D N 0.328 120.733 120.400 0.008 0.000 2.178 490 D HA -0.110 4.530 4.640 -0.000 0.000 0.202 490 D C 2.303 178.602 176.300 -0.002 0.000 0.974 490 D CA 0.920 54.925 54.000 0.008 0.000 0.841 490 D CB -0.106 40.706 40.800 0.019 0.000 0.953 490 D HN 0.262 nan 8.370 nan 0.000 0.478 491 M N -1.084 118.509 119.600 -0.013 0.000 2.562 491 M HA 0.112 4.592 4.480 -0.000 0.000 0.257 491 M C 1.053 177.334 176.300 -0.031 0.000 1.099 491 M CA 0.854 56.137 55.300 -0.027 0.000 1.099 491 M CB 0.393 32.964 32.600 -0.049 0.000 1.427 491 M HN 0.165 nan 8.290 nan 0.000 0.489 492 G N 1.760 110.545 108.800 -0.024 0.000 2.130 492 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.216 492 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.216 492 G C -0.022 174.861 174.900 -0.029 0.000 0.999 492 G CA -0.466 44.620 45.100 -0.022 0.000 0.686 492 G HN 0.465 nan 8.290 nan 0.000 0.515 493 I N 1.230 121.779 120.570 -0.036 0.000 2.388 493 I HA 0.530 4.700 4.170 -0.000 0.000 0.281 493 I C 0.185 176.286 176.117 -0.027 0.000 1.046 493 I CA -0.831 60.444 61.300 -0.041 0.000 1.187 493 I CB 0.601 38.561 38.000 -0.066 0.000 1.351 493 I HN 0.239 nan 8.210 nan 0.000 0.472 494 L N 3.700 124.912 121.223 -0.018 0.000 2.491 494 L HA 0.800 5.140 4.340 -0.000 0.000 0.254 494 L C -1.447 175.421 176.870 -0.004 0.000 1.048 494 L CA -0.696 54.139 54.840 -0.008 0.000 0.855 494 L CB 1.696 43.753 42.059 -0.003 0.000 1.466 494 L HN 0.035 nan 8.230 nan 0.000 0.409 495 D N -0.311 120.090 120.400 0.002 0.000 2.879 495 D HA 0.453 5.093 4.640 -0.000 0.000 0.236 495 D C -2.821 173.486 176.300 0.011 0.000 1.171 495 D CA -1.150 52.853 54.000 0.006 0.000 0.868 495 D CB 2.602 43.406 40.800 0.006 0.000 1.598 495 D HN 0.376 nan 8.370 nan 0.000 0.497 496 P HA 0.030 nan 4.420 nan 0.000 0.263 496 P C 0.913 178.224 177.300 0.019 0.000 1.195 496 P CA 0.201 63.312 63.100 0.019 0.000 0.762 496 P CB 0.594 32.309 31.700 0.025 0.000 0.799 497 T N 2.977 117.541 114.554 0.017 0.000 2.721 497 T HA -0.256 4.094 4.350 -0.000 0.000 0.268 497 T C 1.619 176.330 174.700 0.017 0.000 1.038 497 T CA 1.458 63.567 62.100 0.015 0.000 1.145 497 T CB -0.345 68.531 68.868 0.013 0.000 0.858 497 T HN 0.504 nan 8.240 nan 0.000 0.459 498 K N 0.777 121.190 120.400 0.021 0.000 2.152 498 K HA -0.119 4.201 4.320 -0.000 0.000 0.206 498 K C 2.367 178.987 176.600 0.033 0.000 1.048 498 K CA 1.480 57.782 56.287 0.026 0.000 0.933 498 K CB -0.235 32.285 32.500 0.032 0.000 0.721 498 K HN 0.410 nan 8.250 nan 0.000 0.447 499 V N -1.395 118.539 119.914 0.033 0.000 2.535 499 V HA -0.094 4.026 4.120 -0.000 0.000 0.246 499 V C 1.744 177.860 176.094 0.037 0.000 1.045 499 V CA 1.917 64.240 62.300 0.038 0.000 1.058 499 V CB -0.408 31.431 31.823 0.027 0.000 0.689 499 V HN 0.210 nan 8.190 nan 0.000 0.461 500 T N 0.777 115.347 114.554 0.026 0.000 2.737 500 T HA -0.149 4.201 4.350 -0.000 0.000 0.265 500 T C 1.966 176.678 174.700 0.020 0.000 1.038 500 T CA 2.160 64.273 62.100 0.022 0.000 1.144 500 T CB -0.404 68.474 68.868 0.016 0.000 0.866 500 T HN 0.616 nan 8.240 nan 0.000 0.434 501 R N 0.950 121.457 120.500 0.012 0.000 2.096 501 R HA -0.123 4.217 4.340 -0.000 0.000 0.240 501 R C 2.518 178.810 176.300 -0.014 0.000 1.139 501 R CA 1.903 58.000 56.100 -0.005 0.000 0.952 501 R CB -0.414 29.879 30.300 -0.011 0.000 0.854 501 R HN 0.236 nan 8.270 nan 0.000 0.436 502 S N 0.503 116.214 115.700 0.018 0.000 2.343 502 S HA -0.150 4.320 4.470 -0.000 0.000 0.219 502 S C 2.064 176.748 174.600 0.140 0.000 1.033 502 S CA 1.236 59.473 58.200 0.062 0.000 1.014 502 S CB -0.435 62.865 63.200 0.167 0.000 0.915 502 S HN 0.600 nan 8.310 nan 0.000 0.435 503 A N 1.321 124.216 122.820 0.125 0.000 1.903 503 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 503 A C 2.167 179.805 177.584 0.091 0.000 1.191 503 A CA 1.809 53.916 52.037 0.118 0.000 0.638 503 A CB -0.872 18.167 19.000 0.066 0.000 0.823 503 A HN 0.409 nan 8.150 nan 0.000 0.451 504 L N -0.212 121.036 121.223 0.042 0.000 2.005 504 L HA -0.203 4.137 4.340 -0.000 0.000 0.207 504 L C 2.674 179.541 176.870 -0.005 0.000 1.072 504 L CA 2.392 57.243 54.840 0.018 0.000 0.744 504 L CB -0.754 41.306 42.059 0.003 0.000 0.895 504 L HN 0.510 nan 8.230 nan 0.000 0.433 505 Q N -1.483 118.276 119.800 -0.068 0.000 2.112 505 Q HA -0.267 4.073 4.340 -0.000 0.000 0.206 505 Q C 2.227 178.136 176.000 -0.152 0.000 0.987 505 Q CA 2.162 57.873 55.803 -0.154 0.000 0.858 505 Q CB -0.547 28.018 28.738 -0.289 0.000 0.905 505 Q HN 0.516 nan 8.270 nan 0.000 0.420 506 Y N 0.553 120.854 120.300 0.001 0.000 2.163 506 Y HA -0.168 4.382 4.550 -0.000 0.000 0.288 506 Y C 2.562 178.463 175.900 0.000 0.000 1.136 506 Y CA 0.910 59.010 58.100 -0.000 0.000 1.147 506 Y CB -0.885 37.574 38.460 -0.002 0.000 0.987 506 Y HN 0.132 nan 8.280 nan 0.000 0.509 507 A N 0.123 123.041 122.820 0.163 0.000 1.883 507 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 507 A C 2.478 180.099 177.584 0.062 0.000 1.186 507 A CA 2.285 54.377 52.037 0.091 0.000 0.624 507 A CB -1.364 17.673 19.000 0.063 0.000 0.822 507 A HN 0.414 nan 8.150 nan 0.000 0.444 508 A N -0.965 121.880 122.820 0.042 0.000 1.972 508 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 508 A C 2.441 180.042 177.584 0.027 0.000 1.169 508 A CA 2.195 54.246 52.037 0.022 0.000 0.635 508 A CB -0.934 18.067 19.000 0.002 0.000 0.810 508 A HN 0.585 nan 8.150 nan 0.000 0.446 509 S N -0.808 114.916 115.700 0.040 0.000 2.354 509 S HA -0.164 4.306 4.470 -0.000 0.000 0.219 509 S C 2.014 176.645 174.600 0.053 0.000 1.035 509 S CA 1.877 60.106 58.200 0.048 0.000 1.037 509 S CB -0.686 62.567 63.200 0.087 0.000 0.956 509 S HN 0.702 nan 8.310 nan 0.000 0.428 510 V N 1.934 121.888 119.914 0.067 0.000 2.407 510 V HA -0.040 4.080 4.120 -0.000 0.000 0.248 510 V C 2.534 178.650 176.094 0.035 0.000 1.055 510 V CA 2.175 64.504 62.300 0.049 0.000 1.049 510 V CB -1.226 30.626 31.823 0.048 0.000 0.662 510 V HN 0.593 nan 8.190 nan 0.000 0.455 511 A N 0.250 123.091 122.820 0.034 0.000 1.883 511 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 511 A C 2.400 179.996 177.584 0.021 0.000 1.186 511 A CA 2.155 54.207 52.037 0.025 0.000 0.624 511 A CB -1.592 17.422 19.000 0.023 0.000 0.822 511 A HN 0.695 nan 8.150 nan 0.000 0.444 512 G N -0.126 108.687 108.800 0.021 0.000 2.459 512 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.217 512 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.217 512 G C 1.571 176.482 174.900 0.018 0.000 1.183 512 G CA 1.098 46.208 45.100 0.017 0.000 0.776 512 G HN 0.437 nan 8.290 nan 0.000 0.552 513 L N -0.315 120.921 121.223 0.022 0.000 2.013 513 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 513 L C 3.135 180.017 176.870 0.020 0.000 1.073 513 L CA 1.503 56.356 54.840 0.022 0.000 0.753 513 L CB -0.370 41.705 42.059 0.025 0.000 0.890 513 L HN 0.254 nan 8.230 nan 0.000 0.432 514 M N -0.744 118.869 119.600 0.020 0.000 2.175 514 M HA -0.188 4.292 4.480 -0.000 0.000 0.264 514 M C 2.242 178.552 176.300 0.016 0.000 1.063 514 M CA 1.684 56.995 55.300 0.018 0.000 1.119 514 M CB -0.250 32.361 32.600 0.019 0.000 1.377 514 M HN 0.189 nan 8.290 nan 0.000 0.415 515 I N -0.146 120.433 120.570 0.015 0.000 2.454 515 I HA -0.205 3.965 4.170 -0.000 0.000 0.254 515 I C 1.652 177.778 176.117 0.015 0.000 1.156 515 I CA 1.333 62.641 61.300 0.013 0.000 1.433 515 I CB -0.629 37.378 38.000 0.012 0.000 1.082 515 I HN 0.388 nan 8.210 nan 0.000 0.432 516 T N -3.006 111.558 114.554 0.016 0.000 3.251 516 T HA 0.183 4.533 4.350 -0.000 0.000 0.259 516 T C 0.434 175.147 174.700 0.022 0.000 0.998 516 T CA -0.336 61.775 62.100 0.018 0.000 0.905 516 T CB -0.364 68.514 68.868 0.017 0.000 1.067 516 T HN -0.068 nan 8.240 nan 0.000 0.569 517 T N 1.815 116.381 114.554 0.021 0.000 2.829 517 T HA 0.403 4.753 4.350 -0.000 0.000 0.282 517 T C 0.467 175.184 174.700 0.028 0.000 0.990 517 T CA -0.600 61.513 62.100 0.022 0.000 1.028 517 T CB 1.810 70.687 68.868 0.015 0.000 0.951 517 T HN 0.076 nan 8.240 nan 0.000 0.460 518 E N 0.257 120.482 120.200 0.042 0.000 2.541 518 E HA 0.198 4.548 4.350 -0.000 0.000 0.219 518 E C -0.251 176.401 176.600 0.087 0.000 0.922 518 E CA 0.061 56.507 56.400 0.077 0.000 1.095 518 E CB 0.835 30.599 29.700 0.106 0.000 1.112 518 E HN 0.563 nan 8.360 nan 0.000 0.516 519 C N 0.696 119.997 119.300 0.001 0.000 2.891 519 C HA 0.662 5.122 4.460 -0.000 0.000 0.342 519 C C -1.314 173.586 174.990 -0.149 0.000 1.126 519 C CA -0.572 58.346 59.018 -0.165 0.000 1.322 519 C CB 0.447 28.103 27.740 -0.140 0.000 1.763 519 C HN 0.123 nan 8.230 nan 0.000 0.491 520 M N 5.032 124.510 119.600 -0.204 0.000 2.395 520 M HA 0.634 5.114 4.480 -0.000 0.000 0.307 520 M C -1.101 175.226 176.300 0.045 0.000 1.091 520 M CA -0.587 54.710 55.300 -0.005 0.000 0.919 520 M CB 2.138 34.825 32.600 0.144 0.000 1.662 520 M HN 0.397 nan 8.290 nan 0.000 0.440 521 V N 1.485 121.427 119.914 0.047 0.000 2.531 521 V HA 0.776 4.896 4.120 -0.000 0.000 0.301 521 V C -0.380 175.696 176.094 -0.029 0.000 1.034 521 V CA -0.334 61.978 62.300 0.020 0.000 0.865 521 V CB 2.159 33.971 31.823 -0.019 0.000 0.995 521 V HN 0.964 nan 8.190 nan 0.000 0.424 522 T N 2.346 116.841 114.554 -0.097 0.000 2.762 522 T HA 0.409 4.759 4.350 -0.000 0.000 0.301 522 T C -1.371 173.224 174.700 -0.174 0.000 1.299 522 T CA -0.550 61.427 62.100 -0.205 0.000 1.005 522 T CB 1.840 70.440 68.868 -0.447 0.000 1.377 522 T HN 0.660 nan 8.240 nan 0.000 0.504 523 D N 1.148 121.450 120.400 -0.163 0.000 2.362 523 D HA 0.411 5.051 4.640 -0.000 0.000 0.242 523 D C -0.362 175.866 176.300 -0.120 0.000 1.132 523 D CA -0.189 53.744 54.000 -0.111 0.000 0.907 523 D CB 0.449 41.197 40.800 -0.086 0.000 1.195 523 D HN 0.186 nan 8.370 nan 0.000 0.429 524 L N 3.371 124.554 121.223 -0.066 0.000 2.331 524 L HA 0.308 4.648 4.340 -0.000 0.000 0.278 524 L C -1.563 175.281 176.870 -0.044 0.000 1.106 524 L CA -1.256 53.558 54.840 -0.044 0.000 0.824 524 L CB 0.004 42.054 42.059 -0.014 0.000 1.142 524 L HN 0.419 nan 8.230 nan 0.000 0.443 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.081 63.100 -0.032 0.000 0.800 525 P CB 0.000 31.685 31.700 -0.025 0.000 0.726