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 1ss8_1_D DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND AGVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTVAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.581 177.584 -0.004 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 2 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 3 A N 1.505 124.325 122.820 0.000 0.000 2.587 3 A HA 0.466 4.786 4.320 0.000 0.000 0.235 3 A C 0.339 177.925 177.584 0.003 0.000 1.044 3 A CA 0.565 52.605 52.037 0.006 0.000 0.754 3 A CB -0.199 18.807 19.000 0.010 0.000 0.968 3 A HN 0.617 nan 8.150 nan 0.000 0.509 4 K N 1.487 121.894 120.400 0.011 0.000 2.139 4 K HA 0.427 4.747 4.320 0.000 0.000 0.243 4 K C -1.020 175.602 176.600 0.036 0.000 0.983 4 K CA -0.728 55.564 56.287 0.009 0.000 0.890 4 K CB 1.198 33.703 32.500 0.008 0.000 1.090 4 K HN 0.705 nan 8.250 nan 0.000 0.445 5 D N 0.919 121.349 120.400 0.050 0.000 2.256 5 D HA 0.326 4.966 4.640 0.000 0.000 0.240 5 D C -1.269 175.164 176.300 0.222 0.000 1.062 5 D CA -0.555 53.531 54.000 0.144 0.000 0.832 5 D CB 1.232 42.142 40.800 0.184 0.000 1.135 5 D HN 0.041 nan 8.370 nan 0.000 0.484 6 V N 4.341 124.346 119.914 0.152 0.000 2.448 6 V HA 0.463 4.583 4.120 0.000 0.000 0.295 6 V C 0.226 176.254 176.094 -0.110 0.000 1.025 6 V CA -0.747 61.569 62.300 0.026 0.000 0.859 6 V CB 1.782 33.583 31.823 -0.036 0.000 0.988 6 V HN 0.381 nan 8.190 nan 0.000 0.431 7 K N 3.195 123.411 120.400 -0.307 0.000 2.340 7 K HA 0.787 5.107 4.320 0.000 0.000 0.244 7 K C -1.619 174.646 176.600 -0.557 0.000 0.973 7 K CA -0.598 55.448 56.287 -0.402 0.000 0.828 7 K CB 2.461 34.592 32.500 -0.615 0.000 1.226 7 K HN 0.431 nan 8.250 nan 0.000 0.437 8 F N -0.501 119.391 119.950 -0.096 0.000 2.603 8 F HA 0.356 4.883 4.527 -0.000 0.000 0.317 8 F C 1.218 176.983 175.800 -0.058 0.000 1.066 8 F CA 0.047 58.015 58.000 -0.053 0.000 0.941 8 F CB 1.638 40.617 39.000 -0.036 0.000 1.291 8 F HN 0.807 nan 8.300 nan 0.000 0.472 9 G N 1.942 110.844 108.800 0.170 0.000 2.685 9 G HA2 -0.468 3.492 3.960 0.000 0.000 0.357 9 G HA3 -0.468 3.492 3.960 0.000 0.000 0.357 9 G C 1.081 175.999 174.900 0.030 0.000 1.272 9 G CA 1.388 46.537 45.100 0.082 0.000 0.972 9 G HN 0.830 nan 8.290 nan 0.000 0.550 10 N N 0.823 119.536 118.700 0.021 0.000 2.149 10 N HA -0.072 4.668 4.740 0.000 0.000 0.188 10 N C 1.622 177.119 175.510 -0.022 0.000 1.019 10 N CA 1.274 54.324 53.050 0.000 0.000 0.857 10 N CB -0.176 38.312 38.487 0.000 0.000 0.997 10 N HN 0.482 nan 8.380 nan 0.000 0.426 11 D N 0.672 121.053 120.400 -0.032 0.000 2.144 11 D HA -0.073 4.567 4.640 0.000 0.000 0.199 11 D C 1.903 178.120 176.300 -0.138 0.000 0.984 11 D CA 0.852 54.803 54.000 -0.082 0.000 0.834 11 D CB -0.269 40.471 40.800 -0.101 0.000 0.955 11 D HN 0.317 nan 8.370 nan 0.000 0.465 12 A N 0.521 123.264 122.820 -0.129 0.000 1.930 12 A HA 0.105 4.425 4.320 0.000 0.000 0.215 12 A C 2.336 179.883 177.584 -0.062 0.000 1.176 12 A CA 1.679 53.627 52.037 -0.148 0.000 0.632 12 A CB -0.916 18.009 19.000 -0.125 0.000 0.819 12 A HN 0.274 nan 8.150 nan 0.000 0.445 13 G N 0.221 109.000 108.800 -0.034 0.000 2.491 13 G HA2 -0.236 3.724 3.960 0.000 0.000 0.218 13 G HA3 -0.236 3.724 3.960 0.000 0.000 0.218 13 G C 1.682 176.574 174.900 -0.013 0.000 1.180 13 G CA 2.272 47.364 45.100 -0.013 0.000 0.774 13 G HN 1.076 nan 8.290 nan 0.000 0.562 14 V N -1.105 118.795 119.914 -0.023 0.000 2.515 14 V HA 0.001 4.121 4.120 0.000 0.000 0.250 14 V C 2.446 178.535 176.094 -0.008 0.000 1.058 14 V CA 2.190 64.481 62.300 -0.014 0.000 1.064 14 V CB -0.372 31.442 31.823 -0.015 0.000 0.675 14 V HN 0.144 nan 8.190 nan 0.000 0.461 15 K N 0.212 120.599 120.400 -0.022 0.000 2.025 15 K HA 0.004 4.324 4.320 0.000 0.000 0.207 15 K C 2.262 178.890 176.600 0.046 0.000 1.049 15 K CA 2.038 58.336 56.287 0.017 0.000 0.933 15 K CB -0.527 31.989 32.500 0.027 0.000 0.714 15 K HN 0.524 nan 8.250 nan 0.000 0.438 16 M N 0.568 120.191 119.600 0.039 0.000 2.108 16 M HA -0.196 4.284 4.480 0.000 0.000 0.261 16 M C 2.291 178.608 176.300 0.029 0.000 1.066 16 M CA 1.261 56.586 55.300 0.041 0.000 1.107 16 M CB -0.445 32.175 32.600 0.034 0.000 1.356 16 M HN 0.037 nan 8.290 nan 0.000 0.406 17 L N 0.598 121.832 121.223 0.020 0.000 2.083 17 L HA -0.163 4.177 4.340 0.000 0.000 0.209 17 L C 2.416 179.297 176.870 0.018 0.000 1.083 17 L CA 1.843 56.693 54.840 0.017 0.000 0.752 17 L CB -0.504 41.562 42.059 0.011 0.000 0.899 17 L HN 0.153 nan 8.230 nan 0.000 0.433 18 R N -0.626 119.886 120.500 0.021 0.000 2.096 18 R HA -0.082 4.258 4.340 0.000 0.000 0.235 18 R C 2.198 178.513 176.300 0.024 0.000 1.127 18 R CA 1.136 57.249 56.100 0.021 0.000 0.968 18 R CB -0.957 29.357 30.300 0.023 0.000 0.861 18 R HN 0.572 nan 8.270 nan 0.000 0.440 19 G N 0.557 109.375 108.800 0.030 0.000 2.402 19 G HA2 -0.176 3.784 3.960 0.000 0.000 0.216 19 G HA3 -0.176 3.784 3.960 0.000 0.000 0.216 19 G C 1.486 176.398 174.900 0.020 0.000 1.162 19 G CA 0.462 45.578 45.100 0.027 0.000 0.777 19 G HN 0.107 nan 8.290 nan 0.000 0.539 20 V N 1.592 121.518 119.914 0.020 0.000 2.358 20 V HA -0.177 3.943 4.120 0.000 0.000 0.246 20 V C 2.648 178.750 176.094 0.014 0.000 1.047 20 V CA 1.745 64.056 62.300 0.017 0.000 1.035 20 V CB -0.468 31.366 31.823 0.018 0.000 0.658 20 V HN 0.301 nan 8.190 nan 0.000 0.452 21 N N 0.300 119.009 118.700 0.014 0.000 2.149 21 N HA -0.137 4.603 4.740 0.000 0.000 0.188 21 N C 1.744 177.261 175.510 0.011 0.000 1.019 21 N CA 1.430 54.487 53.050 0.012 0.000 0.857 21 N CB -0.422 38.072 38.487 0.012 0.000 0.997 21 N HN 0.380 nan 8.380 nan 0.000 0.426 22 V N 1.322 121.243 119.914 0.012 0.000 2.323 22 V HA -0.145 3.975 4.120 0.000 0.000 0.244 22 V C 2.374 178.473 176.094 0.009 0.000 1.041 22 V CA 0.867 63.173 62.300 0.010 0.000 1.025 22 V CB -0.572 31.258 31.823 0.011 0.000 0.656 22 V HN 0.171 nan 8.190 nan 0.000 0.451 23 L N 1.212 122.441 121.223 0.009 0.000 1.970 23 L HA -0.155 4.185 4.340 0.000 0.000 0.212 23 L C 2.450 179.324 176.870 0.007 0.000 1.071 23 L CA 2.714 57.557 54.840 0.006 0.000 0.751 23 L CB -0.999 41.064 42.059 0.006 0.000 0.889 23 L HN 0.211 nan 8.230 nan 0.000 0.432 24 A N -1.031 121.794 122.820 0.009 0.000 1.930 24 A HA -0.201 4.119 4.320 0.000 0.000 0.217 24 A C 1.978 179.567 177.584 0.008 0.000 1.175 24 A CA 1.782 53.825 52.037 0.009 0.000 0.627 24 A CB -0.907 18.099 19.000 0.011 0.000 0.815 24 A HN 0.592 nan 8.150 nan 0.000 0.443 25 D N 0.114 120.519 120.400 0.008 0.000 2.144 25 D HA -0.032 4.608 4.640 0.000 0.000 0.199 25 D C 2.176 178.480 176.300 0.007 0.000 0.984 25 D CA 1.448 55.452 54.000 0.007 0.000 0.834 25 D CB -0.350 40.454 40.800 0.007 0.000 0.955 25 D HN 0.433 nan 8.370 nan 0.000 0.465 26 A N 0.333 123.157 122.820 0.006 0.000 1.897 26 A HA -0.086 4.234 4.320 0.000 0.000 0.215 26 A C 2.471 180.057 177.584 0.005 0.000 1.181 26 A CA 0.896 52.937 52.037 0.005 0.000 0.620 26 A CB -0.630 18.373 19.000 0.005 0.000 0.821 26 A HN 0.142 nan 8.150 nan 0.000 0.443 27 V N 1.234 121.151 119.914 0.005 0.000 2.453 27 V HA -0.214 3.906 4.120 0.000 0.000 0.247 27 V C 2.548 178.645 176.094 0.005 0.000 1.048 27 V CA 2.205 64.507 62.300 0.004 0.000 1.049 27 V CB -0.547 31.278 31.823 0.004 0.000 0.672 27 V HN 0.841 nan 8.190 nan 0.000 0.457 28 K N 1.022 121.426 120.400 0.007 0.000 2.366 28 K HA -0.049 4.271 4.320 0.000 0.000 0.198 28 K C 1.894 178.498 176.600 0.007 0.000 1.044 28 K CA 1.455 57.747 56.287 0.008 0.000 0.973 28 K CB -0.447 32.058 32.500 0.009 0.000 0.767 28 K HN 0.446 nan 8.250 nan 0.000 0.475 29 V N 0.796 120.713 119.914 0.006 0.000 2.688 29 V HA -0.209 3.911 4.120 0.000 0.000 0.256 29 V C 2.195 178.292 176.094 0.005 0.000 1.084 29 V CA 2.163 64.467 62.300 0.006 0.000 1.103 29 V CB -1.450 30.376 31.823 0.005 0.000 0.688 29 V HN 0.551 nan 8.190 nan 0.000 0.480 30 T N -2.093 112.464 114.554 0.005 0.000 3.148 30 T HA 0.215 4.565 4.350 0.000 0.000 0.253 30 T C 0.494 175.197 174.700 0.005 0.000 1.134 30 T CA 0.122 62.224 62.100 0.004 0.000 1.051 30 T CB -0.366 68.504 68.868 0.003 0.000 0.959 30 T HN 0.421 nan 8.240 nan 0.000 0.525 31 L N 2.330 123.557 121.223 0.007 0.000 2.331 31 L HA 0.603 4.943 4.340 0.000 0.000 0.278 31 L C 0.739 177.614 176.870 0.009 0.000 1.106 31 L CA 1.351 56.196 54.840 0.008 0.000 0.824 31 L CB -0.139 41.926 42.059 0.010 0.000 1.142 31 L HN 0.633 nan 8.230 nan 0.000 0.443 32 G N 4.587 113.392 108.800 0.007 0.000 2.757 32 G HA2 -0.167 3.793 3.960 0.000 0.000 0.638 32 G HA3 -0.167 3.793 3.960 0.000 0.000 0.638 32 G C -2.038 172.862 174.900 -0.001 0.000 1.344 32 G CA -0.323 44.781 45.100 0.006 0.000 0.855 32 G HN 0.561 nan 8.290 nan 0.000 0.537 33 P HA 0.028 nan 4.420 nan 0.000 0.223 33 P C 1.031 178.325 177.300 -0.010 0.000 1.151 33 P CA 1.237 64.328 63.100 -0.015 0.000 0.787 33 P CB 0.052 31.734 31.700 -0.030 0.000 0.788 34 K N 0.276 120.674 120.400 -0.002 0.000 2.577 34 K HA 0.287 4.607 4.320 0.000 0.000 0.210 34 K C 0.936 177.538 176.600 0.004 0.000 1.048 34 K CA -0.251 56.038 56.287 0.002 0.000 1.188 34 K CB -0.308 32.196 32.500 0.007 0.000 0.910 34 K HN 0.042 nan 8.250 nan 0.000 0.483 35 G N 0.903 109.705 108.800 0.003 0.000 2.491 35 G HA2 0.060 4.020 3.960 0.000 0.000 0.238 35 G HA3 0.060 4.020 3.960 0.000 0.000 0.238 35 G C -0.125 174.776 174.900 0.002 0.000 1.277 35 G CA -0.510 44.592 45.100 0.003 0.000 0.851 35 G HN 0.111 nan 8.290 nan 0.000 0.573 36 R N 1.044 121.546 120.500 0.003 0.000 2.549 36 R HA 0.251 4.591 4.340 0.000 0.000 0.267 36 R C 0.326 176.627 176.300 0.003 0.000 1.045 36 R CA -0.900 55.201 56.100 0.003 0.000 1.115 36 R CB 0.391 30.693 30.300 0.004 0.000 1.121 36 R HN 0.547 nan 8.270 nan 0.000 0.543 37 N N 0.068 118.769 118.700 0.002 0.000 2.503 37 N HA 0.164 4.904 4.740 0.000 0.000 0.267 37 N C -0.542 174.970 175.510 0.004 0.000 1.214 37 N CA -0.102 52.950 53.050 0.003 0.000 0.959 37 N CB 1.183 39.672 38.487 0.003 0.000 1.142 37 N HN 0.092 nan 8.380 nan 0.000 0.455 38 V N 1.541 121.457 119.914 0.004 0.000 2.555 38 V HA 0.319 4.439 4.120 0.000 0.000 0.302 38 V C 0.052 176.149 176.094 0.006 0.000 1.038 38 V CA -0.852 61.451 62.300 0.005 0.000 0.887 38 V CB 2.110 33.935 31.823 0.004 0.000 0.991 38 V HN 0.281 nan 8.190 nan 0.000 0.434 39 V N 6.107 126.024 119.914 0.006 0.000 2.370 39 V HA 0.480 4.600 4.120 0.000 0.000 0.279 39 V C -0.269 175.830 176.094 0.010 0.000 1.029 39 V CA -0.374 61.931 62.300 0.008 0.000 0.870 39 V CB 1.325 33.153 31.823 0.008 0.000 0.984 39 V HN 0.613 nan 8.190 nan 0.000 0.451 40 L N 3.924 125.154 121.223 0.012 0.000 2.325 40 L HA 0.558 4.898 4.340 0.000 0.000 0.281 40 L C -0.270 176.612 176.870 0.020 0.000 1.004 40 L CA -0.583 54.265 54.840 0.014 0.000 0.823 40 L CB 1.791 43.857 42.059 0.012 0.000 1.236 40 L HN 0.491 nan 8.230 nan 0.000 0.415 41 D N 2.861 123.273 120.400 0.020 0.000 2.339 41 D HA 0.333 4.973 4.640 0.000 0.000 0.245 41 D C -0.546 175.776 176.300 0.037 0.000 1.115 41 D CA 0.008 54.023 54.000 0.025 0.000 0.917 41 D CB 0.976 41.788 40.800 0.019 0.000 1.192 41 D HN 0.156 nan 8.370 nan 0.000 0.428 42 K N 0.360 120.790 120.400 0.050 0.000 2.435 42 K HA 0.335 4.655 4.320 0.000 0.000 0.251 42 K C 0.585 177.233 176.600 0.080 0.000 0.954 42 K CA -0.689 55.647 56.287 0.080 0.000 0.820 42 K CB 1.601 34.178 32.500 0.129 0.000 1.292 42 K HN 0.269 nan 8.250 nan 0.000 0.436 43 S N 0.404 116.164 115.700 0.100 0.000 2.470 43 S HA -0.045 4.425 4.470 0.000 0.000 0.225 43 S C 1.643 176.304 174.600 0.103 0.000 1.006 43 S CA 0.188 58.439 58.200 0.085 0.000 0.934 43 S CB -0.262 62.987 63.200 0.082 0.000 0.778 43 S HN 0.529 nan 8.310 nan 0.000 0.517 44 F N 2.835 122.783 119.950 -0.004 0.000 2.065 44 F HA 0.095 4.622 4.527 0.000 0.000 0.298 44 F C 1.747 177.545 175.800 -0.003 0.000 1.112 44 F CA 1.380 59.378 58.000 -0.004 0.000 1.212 44 F CB -0.614 38.384 39.000 -0.003 0.000 0.975 44 F HN 0.344 nan 8.300 nan 0.000 0.476 45 G N -1.998 106.778 108.800 -0.039 0.000 3.262 45 G HA2 0.414 4.374 3.960 0.000 0.000 0.148 45 G HA3 0.414 4.374 3.960 0.000 0.000 0.148 45 G C -0.816 174.067 174.900 -0.028 0.000 1.197 45 G CA -0.110 44.925 45.100 -0.107 0.000 1.469 45 G HN 0.405 nan 8.290 nan 0.000 0.717 46 A N 2.086 124.898 122.820 -0.013 0.000 2.371 46 A HA 0.710 5.030 4.320 0.000 0.000 0.257 46 A C -1.719 175.881 177.584 0.027 0.000 1.089 46 A CA -0.774 51.265 52.037 0.003 0.000 0.794 46 A CB -0.224 18.777 19.000 0.001 0.000 1.029 46 A HN 0.396 nan 8.150 nan 0.000 0.488 47 P HA 0.144 nan 4.420 nan 0.000 0.269 47 P C 0.017 177.334 177.300 0.029 0.000 1.217 47 P CA 0.167 63.284 63.100 0.028 0.000 0.783 47 P CB 0.362 32.073 31.700 0.018 0.000 0.898 48 T N -0.419 114.152 114.554 0.029 0.000 2.829 48 T HA 0.589 4.939 4.350 0.000 0.000 0.282 48 T C -0.117 174.592 174.700 0.016 0.000 0.990 48 T CA -0.776 61.339 62.100 0.025 0.000 1.028 48 T CB -0.003 68.883 68.868 0.029 0.000 0.951 48 T HN 0.196 nan 8.240 nan 0.000 0.460 49 I N 3.458 124.035 120.570 0.013 0.000 2.339 49 I HA 0.500 4.670 4.170 0.000 0.000 0.290 49 I C 0.457 176.578 176.117 0.007 0.000 0.994 49 I CA -0.535 60.770 61.300 0.009 0.000 1.191 49 I CB 1.872 39.876 38.000 0.007 0.000 1.343 49 I HN 0.733 nan 8.210 nan 0.000 0.458 50 T N 4.220 118.777 114.554 0.005 0.000 2.868 50 T HA 0.414 4.764 4.350 0.000 0.000 0.306 50 T C -0.044 174.657 174.700 0.002 0.000 1.224 50 T CA -0.546 61.556 62.100 0.003 0.000 1.012 50 T CB 1.743 70.612 68.868 0.003 0.000 1.221 50 T HN 0.666 nan 8.240 nan 0.000 0.499 51 K N 0.961 121.361 120.400 0.000 0.000 2.447 51 K HA 0.195 4.515 4.320 0.000 0.000 0.205 51 K C -0.466 176.133 176.600 -0.001 0.000 1.059 51 K CA -0.326 55.961 56.287 -0.000 0.000 1.065 51 K CB 0.568 33.067 32.500 -0.001 0.000 0.885 51 K HN 0.443 nan 8.250 nan 0.000 0.545 52 D N 0.427 120.826 120.400 -0.002 0.000 2.336 52 D HA 0.058 4.698 4.640 0.000 0.000 0.249 52 D C 1.024 177.323 176.300 -0.002 0.000 1.213 52 D CA 0.041 54.039 54.000 -0.003 0.000 0.870 52 D CB 1.426 42.223 40.800 -0.005 0.000 1.076 52 D HN 0.266 nan 8.370 nan 0.000 0.483 53 G N 2.756 111.555 108.800 -0.001 0.000 2.448 53 G HA2 -0.174 3.786 3.960 0.000 0.000 0.219 53 G HA3 -0.174 3.786 3.960 0.000 0.000 0.219 53 G C 1.586 176.484 174.900 -0.003 0.000 1.127 53 G CA 0.376 45.475 45.100 -0.001 0.000 0.766 53 G HN 0.485 nan 8.290 nan 0.000 0.552 54 V N 1.068 120.979 119.914 -0.005 0.000 2.358 54 V HA -0.171 3.949 4.120 0.000 0.000 0.246 54 V C 3.092 179.180 176.094 -0.009 0.000 1.047 54 V CA 2.163 64.459 62.300 -0.008 0.000 1.035 54 V CB -0.415 31.403 31.823 -0.009 0.000 0.658 54 V HN 0.374 nan 8.190 nan 0.000 0.452 55 S N 0.098 115.794 115.700 -0.007 0.000 2.370 55 S HA -0.189 4.281 4.470 0.000 0.000 0.226 55 S C 2.007 176.604 174.600 -0.005 0.000 1.033 55 S CA 1.643 59.839 58.200 -0.007 0.000 1.011 55 S CB -0.321 62.876 63.200 -0.005 0.000 0.852 55 S HN 0.408 nan 8.310 nan 0.000 0.457 56 V N 2.067 121.980 119.914 -0.003 0.000 2.343 56 V HA -0.182 3.938 4.120 0.000 0.000 0.247 56 V C 2.663 178.755 176.094 -0.003 0.000 1.051 56 V CA 1.616 63.915 62.300 -0.001 0.000 1.036 56 V CB -1.304 30.519 31.823 0.000 0.000 0.654 56 V HN 0.548 nan 8.190 nan 0.000 0.451 57 A N 0.483 123.300 122.820 -0.005 0.000 1.933 57 A HA -0.256 4.064 4.320 0.000 0.000 0.218 57 A C 2.421 179.999 177.584 -0.009 0.000 1.175 57 A CA 1.998 54.031 52.037 -0.007 0.000 0.628 57 A CB -0.595 18.399 19.000 -0.009 0.000 0.814 57 A HN 0.543 nan 8.150 nan 0.000 0.444 58 R N -0.348 120.145 120.500 -0.011 0.000 2.120 58 R HA -0.132 4.208 4.340 0.000 0.000 0.234 58 R C 1.149 177.442 176.300 -0.012 0.000 1.123 58 R CA 1.589 57.680 56.100 -0.014 0.000 0.975 58 R CB -0.166 30.125 30.300 -0.016 0.000 0.866 58 R HN 0.369 nan 8.270 nan 0.000 0.446 59 E N 0.460 120.655 120.200 -0.008 0.000 2.427 59 E HA -0.011 4.339 4.350 0.000 0.000 0.196 59 E C 0.143 176.740 176.600 -0.004 0.000 1.028 59 E CA 0.227 56.624 56.400 -0.005 0.000 0.864 59 E CB 0.167 29.867 29.700 -0.001 0.000 0.813 59 E HN 0.282 nan 8.360 nan 0.000 0.514 60 I N 1.965 122.532 120.570 -0.005 0.000 2.337 60 I HA 0.165 4.335 4.170 0.000 0.000 0.291 60 I C 0.348 176.462 176.117 -0.005 0.000 1.046 60 I CA -0.060 61.239 61.300 -0.003 0.000 1.324 60 I CB 0.330 38.329 38.000 -0.001 0.000 1.409 60 I HN -0.074 nan 8.210 nan 0.000 0.494 61 E N 7.062 127.260 120.200 -0.004 0.000 2.308 61 E HA 0.582 4.932 4.350 0.000 0.000 0.275 61 E C -1.761 174.836 176.600 -0.004 0.000 0.890 61 E CA -0.607 55.789 56.400 -0.007 0.000 0.754 61 E CB 2.271 31.966 29.700 -0.009 0.000 1.207 61 E HN 0.434 nan 8.360 nan 0.000 0.426 62 L N 3.127 124.347 121.223 -0.005 0.000 2.333 62 L HA 0.393 4.733 4.340 0.000 0.000 0.269 62 L C 1.297 178.165 176.870 -0.004 0.000 1.010 62 L CA -0.560 54.280 54.840 0.000 0.000 0.818 62 L CB 1.770 43.834 42.059 0.008 0.000 1.306 62 L HN 0.754 nan 8.230 nan 0.000 0.430 63 E N 0.627 120.828 120.200 0.002 0.000 2.072 63 E HA -0.151 4.199 4.350 0.000 0.000 0.190 63 E C 0.476 177.074 176.600 -0.002 0.000 0.982 63 E CA 0.445 56.844 56.400 -0.001 0.000 0.803 63 E CB 0.317 30.020 29.700 0.004 0.000 0.755 63 E HN 0.646 nan 8.360 nan 0.000 0.453 64 D N 0.684 121.093 120.400 0.015 0.000 2.371 64 D HA -0.055 4.585 4.640 0.000 0.000 0.256 64 D C 0.623 176.922 176.300 -0.001 0.000 1.193 64 D CA 0.035 54.055 54.000 0.033 0.000 0.881 64 D CB 0.992 41.837 40.800 0.076 0.000 1.143 64 D HN 0.079 nan 8.370 nan 0.000 0.473 65 K N 3.688 124.037 120.400 -0.085 0.000 2.148 65 K HA -0.121 4.199 4.320 0.000 0.000 0.204 65 K C 1.908 178.366 176.600 -0.236 0.000 1.050 65 K CA 0.892 57.056 56.287 -0.204 0.000 0.942 65 K CB -0.259 32.041 32.500 -0.333 0.000 0.724 65 K HN 0.448 nan 8.250 nan 0.000 0.446 66 F N 2.388 122.328 119.950 -0.017 0.000 2.113 66 F HA -0.076 4.451 4.527 -0.000 0.000 0.297 66 F C 2.410 178.201 175.800 -0.015 0.000 1.103 66 F CA 1.163 59.150 58.000 -0.021 0.000 1.248 66 F CB -0.577 38.409 39.000 -0.023 0.000 0.999 66 F HN 0.067 nan 8.300 nan 0.000 0.475 67 E N 0.127 120.425 120.200 0.163 0.000 2.085 67 E HA -0.269 4.081 4.350 0.000 0.000 0.194 67 E C 2.006 178.635 176.600 0.049 0.000 0.994 67 E CA 1.246 57.699 56.400 0.089 0.000 0.801 67 E CB -0.548 29.191 29.700 0.065 0.000 0.743 67 E HN 0.467 nan 8.360 nan 0.000 0.453 68 N N 0.638 119.352 118.700 0.023 0.000 2.166 68 N HA -0.169 4.571 4.740 0.000 0.000 0.186 68 N C 1.894 177.402 175.510 -0.004 0.000 1.019 68 N CA 0.957 54.006 53.050 -0.002 0.000 0.856 68 N CB 0.005 38.477 38.487 -0.025 0.000 0.993 68 N HN 0.185 nan 8.380 nan 0.000 0.426 69 M N 0.044 119.642 119.600 -0.003 0.000 2.175 69 M HA -0.067 4.413 4.480 0.000 0.000 0.264 69 M C 2.273 178.585 176.300 0.019 0.000 1.063 69 M CA 1.450 56.749 55.300 -0.000 0.000 1.119 69 M CB -0.378 32.223 32.600 0.001 0.000 1.377 69 M HN 0.208 nan 8.290 nan 0.000 0.415 70 G N -0.003 108.818 108.800 0.037 0.000 2.433 70 G HA2 -0.176 3.784 3.960 0.000 0.000 0.216 70 G HA3 -0.176 3.784 3.960 0.000 0.000 0.216 70 G C 1.601 176.513 174.900 0.020 0.000 1.186 70 G CA 1.006 46.126 45.100 0.033 0.000 0.779 70 G HN 0.533 nan 8.290 nan 0.000 0.543 71 A N 0.111 122.941 122.820 0.016 0.000 1.883 71 A HA -0.106 4.214 4.320 0.000 0.000 0.217 71 A C 2.403 179.988 177.584 0.002 0.000 1.186 71 A CA 2.066 54.108 52.037 0.009 0.000 0.624 71 A CB -0.373 18.631 19.000 0.006 0.000 0.822 71 A HN 0.340 nan 8.150 nan 0.000 0.444 72 Q N -1.000 118.799 119.800 -0.002 0.000 2.230 72 Q HA -0.029 4.311 4.340 0.000 0.000 0.202 72 Q C 2.074 178.070 176.000 -0.007 0.000 0.963 72 Q CA 1.225 57.023 55.803 -0.009 0.000 0.866 72 Q CB -0.457 28.273 28.738 -0.014 0.000 0.931 72 Q HN 0.774 nan 8.270 nan 0.000 0.452 73 M N -0.270 119.330 119.600 0.000 0.000 2.086 73 M HA -0.154 4.326 4.480 0.000 0.000 0.261 73 M C 2.135 178.438 176.300 0.004 0.000 1.067 73 M CA 1.260 56.563 55.300 0.004 0.000 1.116 73 M CB -0.105 32.502 32.600 0.013 0.000 1.348 73 M HN -0.042 nan 8.290 nan 0.000 0.407 74 V N -0.150 119.768 119.914 0.007 0.000 2.548 74 V HA -0.209 3.911 4.120 0.000 0.000 0.249 74 V C 2.061 178.151 176.094 -0.005 0.000 1.055 74 V CA 1.485 63.790 62.300 0.008 0.000 1.065 74 V CB -0.621 31.209 31.823 0.013 0.000 0.681 74 V HN 0.413 nan 8.190 nan 0.000 0.462 75 K N -0.091 120.303 120.400 -0.010 0.000 2.057 75 K HA -0.197 4.123 4.320 0.000 0.000 0.207 75 K C 2.297 178.875 176.600 -0.037 0.000 1.049 75 K CA 1.529 57.803 56.287 -0.021 0.000 0.931 75 K CB -0.159 32.329 32.500 -0.019 0.000 0.714 75 K HN 0.433 nan 8.250 nan 0.000 0.440 76 E N 0.386 120.566 120.200 -0.033 0.000 2.085 76 E HA -0.186 4.164 4.350 0.000 0.000 0.194 76 E C 1.883 178.436 176.600 -0.080 0.000 0.994 76 E CA 1.337 57.708 56.400 -0.048 0.000 0.801 76 E CB 0.216 29.896 29.700 -0.032 0.000 0.743 76 E HN 0.072 nan 8.360 nan 0.000 0.453 77 V N 0.685 120.563 119.914 -0.061 0.000 2.379 77 V HA -0.126 3.994 4.120 0.000 0.000 0.243 77 V C 2.401 178.390 176.094 -0.174 0.000 1.035 77 V CA 1.404 63.654 62.300 -0.084 0.000 1.035 77 V CB -0.592 31.247 31.823 0.027 0.000 0.673 77 V HN 0.313 nan 8.190 nan 0.000 0.457 78 A N 1.060 123.832 122.820 -0.080 0.000 1.948 78 A HA -0.252 4.068 4.320 0.000 0.000 0.220 78 A C 2.457 179.959 177.584 -0.138 0.000 1.177 78 A CA 2.450 54.443 52.037 -0.072 0.000 0.636 78 A CB -0.832 18.153 19.000 -0.024 0.000 0.815 78 A HN 0.709 nan 8.150 nan 0.000 0.449 79 S N -0.480 115.137 115.700 -0.137 0.000 2.507 79 S HA -0.080 4.390 4.470 0.000 0.000 0.235 79 S C 1.550 176.019 174.600 -0.218 0.000 0.988 79 S CA 1.230 59.350 58.200 -0.134 0.000 0.944 79 S CB -0.287 62.858 63.200 -0.091 0.000 0.762 79 S HN 0.638 nan 8.310 nan 0.000 0.526 80 K N 1.288 121.443 120.400 -0.408 0.000 2.217 80 K HA 0.199 4.519 4.320 0.000 0.000 0.202 80 K C 2.473 178.748 176.600 -0.542 0.000 1.051 80 K CA 0.814 56.742 56.287 -0.599 0.000 0.952 80 K CB -0.453 31.459 32.500 -0.980 0.000 0.736 80 K HN 0.470 nan 8.250 nan 0.000 0.453 81 A N 2.120 124.687 122.820 -0.421 0.000 1.873 81 A HA -0.283 4.037 4.320 0.000 0.000 0.218 81 A C 1.880 179.459 177.584 -0.008 0.000 1.193 81 A CA 2.162 54.187 52.037 -0.020 0.000 0.629 81 A CB -0.769 18.275 19.000 0.074 0.000 0.826 81 A HN 0.260 nan 8.150 nan 0.000 0.447 82 N N 0.138 118.816 118.700 -0.037 0.000 2.104 82 N HA -0.130 4.610 4.740 0.000 0.000 0.190 82 N C 1.240 176.745 175.510 -0.009 0.000 1.024 82 N CA 1.664 54.710 53.050 -0.008 0.000 0.853 82 N CB -0.277 38.202 38.487 -0.013 0.000 1.008 82 N HN 0.488 nan 8.380 nan 0.000 0.424 83 D N -0.111 120.262 120.400 -0.046 0.000 2.097 83 D HA -0.068 4.572 4.640 0.000 0.000 0.195 83 D C 1.785 178.076 176.300 -0.015 0.000 0.989 83 D CA 1.254 55.231 54.000 -0.038 0.000 0.827 83 D CB -0.546 40.215 40.800 -0.065 0.000 0.966 83 D HN 0.298 nan 8.370 nan 0.000 0.456 84 A N 0.316 123.143 122.820 0.012 0.000 1.930 84 A HA 0.138 4.458 4.320 0.000 0.000 0.217 84 A C 2.004 179.612 177.584 0.039 0.000 1.175 84 A CA 2.146 54.219 52.037 0.060 0.000 0.627 84 A CB -0.127 18.976 19.000 0.171 0.000 0.815 84 A HN 0.257 nan 8.150 nan 0.000 0.443 85 A N -3.481 119.364 122.820 0.041 0.000 2.600 85 A HA 0.479 4.799 4.320 0.000 0.000 0.252 85 A C 1.551 179.160 177.584 0.042 0.000 1.200 85 A CA 0.910 52.970 52.037 0.038 0.000 0.981 85 A CB -0.167 18.866 19.000 0.055 0.000 1.207 85 A HN 1.886 nan 8.150 nan 0.000 0.577 86 G N -0.749 108.081 108.800 0.049 0.000 2.179 86 G HA2 -0.171 3.789 3.960 0.000 0.000 0.260 86 G HA3 -0.171 3.789 3.960 0.000 0.000 0.260 86 G C -0.154 174.789 174.900 0.071 0.000 0.977 86 G CA 0.608 45.767 45.100 0.098 0.000 0.641 86 G HN 0.905 nan 8.290 nan 0.000 0.533 87 D N -2.702 117.726 120.400 0.048 0.000 2.755 87 D HA 0.556 5.196 4.640 0.000 0.000 0.277 87 D C 0.822 177.142 176.300 0.034 0.000 1.261 87 D CA 1.323 55.345 54.000 0.036 0.000 0.759 87 D CB 0.479 41.300 40.800 0.036 0.000 1.279 87 D HN 1.398 nan 8.370 nan 0.000 0.420 88 G N -0.237 108.580 108.800 0.029 0.000 2.184 88 G HA2 -0.243 3.717 3.960 0.000 0.000 0.206 88 G HA3 -0.243 3.717 3.960 0.000 0.000 0.206 88 G C 1.006 175.923 174.900 0.030 0.000 0.995 88 G CA 0.854 45.976 45.100 0.036 0.000 0.651 88 G HN 0.530 nan 8.290 nan 0.000 0.511 89 T N 0.941 115.503 114.554 0.013 0.000 2.770 89 T HA -0.040 4.310 4.350 0.000 0.000 0.263 89 T C 2.585 177.289 174.700 0.006 0.000 1.039 89 T CA 2.324 64.424 62.100 -0.000 0.000 1.142 89 T CB -0.350 68.509 68.868 -0.015 0.000 0.868 89 T HN 0.410 nan 8.240 nan 0.000 0.435 90 T N 1.684 116.243 114.554 0.008 0.000 2.746 90 T HA -0.111 4.239 4.350 0.000 0.000 0.267 90 T C 2.255 176.965 174.700 0.017 0.000 1.039 90 T CA 1.598 63.704 62.100 0.010 0.000 1.142 90 T CB -0.704 68.169 68.868 0.009 0.000 0.866 90 T HN 0.361 nan 8.240 nan 0.000 0.444 91 T N 1.944 116.511 114.554 0.021 0.000 2.720 91 T HA -0.060 4.290 4.350 0.000 0.000 0.268 91 T C 2.366 177.085 174.700 0.033 0.000 1.037 91 T CA 1.213 63.328 62.100 0.026 0.000 1.144 91 T CB -0.521 68.365 68.868 0.030 0.000 0.864 91 T HN 0.445 nan 8.240 nan 0.000 0.444 92 A N 1.133 123.977 122.820 0.040 0.000 1.930 92 A HA -0.103 4.217 4.320 0.000 0.000 0.217 92 A C 2.543 180.150 177.584 0.039 0.000 1.175 92 A CA 1.973 54.042 52.037 0.053 0.000 0.627 92 A CB -1.142 17.903 19.000 0.075 0.000 0.815 92 A HN 0.480 nan 8.150 nan 0.000 0.443 93 T N -0.257 114.312 114.554 0.026 0.000 2.708 93 T HA -0.134 4.216 4.350 0.000 0.000 0.266 93 T C 1.870 176.582 174.700 0.020 0.000 1.037 93 T CA 1.622 63.734 62.100 0.020 0.000 1.146 93 T CB -0.483 68.392 68.868 0.012 0.000 0.865 93 T HN 0.152 nan 8.240 nan 0.000 0.435 94 V N 1.567 121.493 119.914 0.020 0.000 2.343 94 V HA -0.142 3.978 4.120 0.000 0.000 0.247 94 V C 2.495 178.601 176.094 0.021 0.000 1.051 94 V CA 1.488 63.799 62.300 0.018 0.000 1.036 94 V CB -0.739 31.094 31.823 0.017 0.000 0.654 94 V HN 0.434 nan 8.190 nan 0.000 0.451 95 L N 0.065 121.303 121.223 0.025 0.000 1.989 95 L HA -0.190 4.150 4.340 0.000 0.000 0.211 95 L C 2.793 179.679 176.870 0.026 0.000 1.071 95 L CA 1.773 56.629 54.840 0.026 0.000 0.749 95 L CB -0.977 41.101 42.059 0.031 0.000 0.890 95 L HN 0.355 nan 8.230 nan 0.000 0.431 96 A N -0.287 122.552 122.820 0.030 0.000 1.892 96 A HA -0.328 3.992 4.320 0.000 0.000 0.218 96 A C 2.297 179.895 177.584 0.023 0.000 1.188 96 A CA 2.184 54.239 52.037 0.029 0.000 0.631 96 A CB -0.770 18.250 19.000 0.033 0.000 0.822 96 A HN 0.558 nan 8.150 nan 0.000 0.447 97 Q N -0.601 119.211 119.800 0.020 0.000 2.135 97 Q HA -0.140 4.200 4.340 0.000 0.000 0.204 97 Q C 2.098 178.107 176.000 0.015 0.000 0.981 97 Q CA 1.812 57.625 55.803 0.017 0.000 0.856 97 Q CB -0.344 28.402 28.738 0.015 0.000 0.902 97 Q HN 0.603 nan 8.270 nan 0.000 0.425 98 A N 0.576 123.405 122.820 0.015 0.000 1.897 98 A HA -0.073 4.247 4.320 0.000 0.000 0.215 98 A C 1.971 179.563 177.584 0.013 0.000 1.181 98 A CA 1.065 53.110 52.037 0.013 0.000 0.620 98 A CB -0.473 18.535 19.000 0.013 0.000 0.821 98 A HN 0.466 nan 8.150 nan 0.000 0.443 99 I N -0.633 119.946 120.570 0.016 0.000 2.252 99 I HA -0.221 3.949 4.170 0.000 0.000 0.245 99 I C 2.248 178.374 176.117 0.014 0.000 1.102 99 I CA 1.199 62.508 61.300 0.015 0.000 1.385 99 I CB -0.295 37.715 38.000 0.017 0.000 1.064 99 I HN 0.252 nan 8.210 nan 0.000 0.414 100 I N 0.226 120.806 120.570 0.016 0.000 2.233 100 I HA -0.235 3.935 4.170 0.000 0.000 0.243 100 I C 2.565 178.689 176.117 0.013 0.000 1.093 100 I CA 1.432 62.741 61.300 0.015 0.000 1.380 100 I CB -0.397 37.613 38.000 0.017 0.000 1.067 100 I HN 0.158 nan 8.210 nan 0.000 0.413 101 T N 0.252 114.814 114.554 0.012 0.000 2.684 101 T HA -0.174 4.176 4.350 0.000 0.000 0.267 101 T C 1.779 176.485 174.700 0.009 0.000 1.036 101 T CA 1.385 63.492 62.100 0.010 0.000 1.148 101 T CB -0.153 68.720 68.868 0.010 0.000 0.863 101 T HN 0.305 nan 8.240 nan 0.000 0.436 102 E N 0.452 120.658 120.200 0.009 0.000 2.158 102 E HA 0.059 4.409 4.350 0.000 0.000 0.191 102 E C 2.564 179.169 176.600 0.008 0.000 0.982 102 E CA 0.735 57.140 56.400 0.008 0.000 0.823 102 E CB -0.698 29.006 29.700 0.008 0.000 0.766 102 E HN 0.554 nan 8.360 nan 0.000 0.468 103 G N 1.624 110.430 108.800 0.009 0.000 2.418 103 G HA2 -0.220 3.740 3.960 0.000 0.000 0.217 103 G HA3 -0.220 3.740 3.960 0.000 0.000 0.217 103 G C 1.719 176.624 174.900 0.009 0.000 1.158 103 G CA 0.465 45.570 45.100 0.009 0.000 0.771 103 G HN 0.162 nan 8.290 nan 0.000 0.545 104 L N -0.412 120.816 121.223 0.009 0.000 2.156 104 L HA 0.039 4.379 4.340 0.000 0.000 0.208 104 L C 2.836 179.710 176.870 0.007 0.000 1.095 104 L CA 0.974 55.819 54.840 0.008 0.000 0.770 104 L CB -0.264 41.800 42.059 0.008 0.000 0.914 104 L HN 0.160 nan 8.230 nan 0.000 0.439 105 K N 0.345 120.748 120.400 0.006 0.000 2.044 105 K HA -0.200 4.120 4.320 0.000 0.000 0.210 105 K C 2.145 178.748 176.600 0.005 0.000 1.049 105 K CA 1.699 57.989 56.287 0.005 0.000 0.927 105 K CB -0.229 32.274 32.500 0.005 0.000 0.713 105 K HN 0.291 nan 8.250 nan 0.000 0.443 106 A N 0.043 122.866 122.820 0.006 0.000 1.969 106 A HA -0.096 4.224 4.320 0.000 0.000 0.218 106 A C 2.213 179.800 177.584 0.006 0.000 1.169 106 A CA 1.404 53.444 52.037 0.005 0.000 0.635 106 A CB -0.449 18.554 19.000 0.006 0.000 0.810 106 A HN 0.134 nan 8.150 nan 0.000 0.445 107 V N -0.277 119.641 119.914 0.007 0.000 2.358 107 V HA -0.212 3.908 4.120 0.000 0.000 0.246 107 V C 3.003 179.101 176.094 0.007 0.000 1.047 107 V CA 1.839 64.144 62.300 0.008 0.000 1.035 107 V CB -1.064 30.765 31.823 0.010 0.000 0.658 107 V HN 0.589 nan 8.190 nan 0.000 0.452 108 A N -0.128 122.695 122.820 0.005 0.000 2.067 108 A HA 0.024 4.344 4.320 0.000 0.000 0.219 108 A C 2.235 179.821 177.584 0.003 0.000 1.158 108 A CA 1.556 53.595 52.037 0.004 0.000 0.661 108 A CB -0.512 18.489 19.000 0.003 0.000 0.801 108 A HN 0.568 nan 8.150 nan 0.000 0.452 109 A N -1.657 121.164 122.820 0.003 0.000 2.206 109 A HA 0.390 4.710 4.320 0.000 0.000 0.211 109 A C 1.747 179.332 177.584 0.002 0.000 1.158 109 A CA 1.238 53.276 52.037 0.002 0.000 0.761 109 A CB -0.862 18.139 19.000 0.002 0.000 0.801 109 A HN 1.843 nan 8.150 nan 0.000 0.473 110 G N -1.679 107.123 108.800 0.003 0.000 2.131 110 G HA2 -0.224 3.736 3.960 0.000 0.000 0.223 110 G HA3 -0.224 3.736 3.960 0.000 0.000 0.223 110 G C 0.109 175.011 174.900 0.003 0.000 0.990 110 G CA 0.250 45.352 45.100 0.003 0.000 0.671 110 G HN 0.393 nan 8.290 nan 0.000 0.521 111 M N 0.398 120.000 119.600 0.004 0.000 2.247 111 M HA 0.269 4.749 4.480 0.000 0.000 0.326 111 M C 0.732 177.035 176.300 0.006 0.000 1.134 111 M CA -0.643 54.659 55.300 0.004 0.000 1.136 111 M CB 0.487 33.090 32.600 0.004 0.000 1.454 111 M HN 0.140 nan 8.290 nan 0.000 0.467 112 N N 2.466 121.169 118.700 0.005 0.000 2.431 112 N HA 0.108 4.848 4.740 0.000 0.000 0.265 112 N C -2.119 173.395 175.510 0.008 0.000 1.184 112 N CA -1.434 51.620 53.050 0.007 0.000 0.943 112 N CB 1.041 39.531 38.487 0.005 0.000 1.080 112 N HN 0.276 nan 8.380 nan 0.000 0.477 113 P HA -0.135 nan 4.420 nan 0.000 0.215 113 P C 1.628 178.934 177.300 0.010 0.000 1.153 113 P CA 1.279 64.385 63.100 0.011 0.000 0.853 113 P CB 0.229 31.937 31.700 0.014 0.000 0.788 114 M N -0.625 118.981 119.600 0.010 0.000 2.080 114 M HA -0.147 4.333 4.480 0.000 0.000 0.260 114 M C 1.603 177.907 176.300 0.007 0.000 1.068 114 M CA 1.700 57.005 55.300 0.009 0.000 1.109 114 M CB -1.878 30.727 32.600 0.008 0.000 1.342 114 M HN -0.029 nan 8.290 nan 0.000 0.405 115 D N 0.202 120.606 120.400 0.006 0.000 2.097 115 D HA -0.120 4.520 4.640 0.000 0.000 0.195 115 D C 2.162 178.465 176.300 0.005 0.000 0.989 115 D CA 0.954 54.956 54.000 0.005 0.000 0.827 115 D CB -0.227 40.575 40.800 0.004 0.000 0.966 115 D HN 0.138 nan 8.370 nan 0.000 0.456 116 L N 1.366 122.593 121.223 0.006 0.000 2.021 116 L HA -0.200 4.140 4.340 0.000 0.000 0.215 116 L C 2.288 179.161 176.870 0.006 0.000 1.074 116 L CA 1.572 56.416 54.840 0.006 0.000 0.760 116 L CB -0.987 41.076 42.059 0.007 0.000 0.889 116 L HN 0.049 nan 8.230 nan 0.000 0.433 117 K N -0.722 119.681 120.400 0.007 0.000 2.057 117 K HA -0.208 4.112 4.320 0.000 0.000 0.206 117 K C 2.322 178.924 176.600 0.004 0.000 1.050 117 K CA 1.253 57.544 56.287 0.006 0.000 0.935 117 K CB 0.020 32.525 32.500 0.007 0.000 0.715 117 K HN 0.062 nan 8.250 nan 0.000 0.439 118 R N -0.173 120.329 120.500 0.003 0.000 2.081 118 R HA -0.097 4.243 4.340 0.000 0.000 0.235 118 R C 2.266 178.566 176.300 0.001 0.000 1.131 118 R CA 1.828 57.929 56.100 0.001 0.000 0.960 118 R CB -0.594 29.706 30.300 0.001 0.000 0.856 118 R HN 0.401 nan 8.270 nan 0.000 0.436 119 G N 0.610 109.411 108.800 0.002 0.000 2.433 119 G HA2 -0.255 3.705 3.960 0.000 0.000 0.216 119 G HA3 -0.255 3.705 3.960 0.000 0.000 0.216 119 G C 1.424 176.325 174.900 0.001 0.000 1.186 119 G CA 1.049 46.150 45.100 0.002 0.000 0.779 119 G HN 0.278 nan 8.290 nan 0.000 0.543 120 I N 1.149 121.721 120.570 0.002 0.000 2.145 120 I HA -0.240 3.930 4.170 0.000 0.000 0.244 120 I C 2.356 178.472 176.117 -0.001 0.000 1.075 120 I CA 1.616 62.917 61.300 0.002 0.000 1.332 120 I CB -0.185 37.818 38.000 0.004 0.000 1.033 120 I HN 0.068 nan 8.210 nan 0.000 0.410 121 D N 0.366 120.764 120.400 -0.003 0.000 2.117 121 D HA -0.180 4.460 4.640 0.000 0.000 0.198 121 D C 2.103 178.398 176.300 -0.008 0.000 0.982 121 D CA 1.100 55.095 54.000 -0.008 0.000 0.828 121 D CB -0.164 40.631 40.800 -0.007 0.000 0.967 121 D HN 0.282 nan 8.370 nan 0.000 0.464 122 K N 0.593 120.990 120.400 -0.005 0.000 2.002 122 K HA -0.099 4.221 4.320 0.000 0.000 0.209 122 K C 2.058 178.656 176.600 -0.004 0.000 1.048 122 K CA 1.263 57.547 56.287 -0.004 0.000 0.930 122 K CB -0.088 32.411 32.500 -0.002 0.000 0.714 122 K HN 0.004 nan 8.250 nan 0.000 0.438 123 A N 0.719 123.538 122.820 -0.002 0.000 1.903 123 A HA -0.182 4.138 4.320 0.000 0.000 0.219 123 A C 2.268 179.850 177.584 -0.003 0.000 1.191 123 A CA 2.085 54.121 52.037 -0.001 0.000 0.638 123 A CB -0.917 18.084 19.000 0.001 0.000 0.823 123 A HN 0.203 nan 8.150 nan 0.000 0.451 124 V N -0.542 119.369 119.914 -0.006 0.000 2.295 124 V HA -0.250 3.870 4.120 0.000 0.000 0.246 124 V C 2.730 178.815 176.094 -0.014 0.000 1.049 124 V CA 2.510 64.804 62.300 -0.011 0.000 1.024 124 V CB -1.366 30.447 31.823 -0.017 0.000 0.648 124 V HN 0.625 nan 8.190 nan 0.000 0.447 125 T N 0.059 114.605 114.554 -0.015 0.000 2.665 125 T HA -0.202 4.148 4.350 0.000 0.000 0.268 125 T C 1.870 176.564 174.700 -0.010 0.000 1.035 125 T CA 1.946 64.037 62.100 -0.015 0.000 1.151 125 T CB -0.249 68.611 68.868 -0.013 0.000 0.862 125 T HN 0.298 nan 8.240 nan 0.000 0.438 126 V N 1.255 121.165 119.914 -0.006 0.000 2.407 126 V HA -0.022 4.098 4.120 0.000 0.000 0.245 126 V C 2.824 178.918 176.094 -0.001 0.000 1.041 126 V CA 1.320 63.618 62.300 -0.003 0.000 1.040 126 V CB -1.115 30.708 31.823 -0.001 0.000 0.671 126 V HN 0.506 nan 8.190 nan 0.000 0.455 127 A N -0.092 122.727 122.820 -0.001 0.000 1.978 127 A HA -0.179 4.141 4.320 0.000 0.000 0.220 127 A C 2.386 179.970 177.584 0.000 0.000 1.170 127 A CA 2.164 54.202 52.037 0.002 0.000 0.636 127 A CB -0.626 18.376 19.000 0.003 0.000 0.810 127 A HN 0.343 nan 8.150 nan 0.000 0.448 128 V N -0.211 119.699 119.914 -0.005 0.000 2.379 128 V HA -0.234 3.886 4.120 0.000 0.000 0.245 128 V C 2.361 178.452 176.094 -0.004 0.000 1.044 128 V CA 2.116 64.411 62.300 -0.008 0.000 1.036 128 V CB -0.760 31.052 31.823 -0.018 0.000 0.664 128 V HN 0.648 nan 8.190 nan 0.000 0.453 129 E N -0.134 120.063 120.200 -0.004 0.000 2.049 129 E HA -0.257 4.093 4.350 0.000 0.000 0.198 129 E C 2.276 178.877 176.600 0.003 0.000 1.007 129 E CA 1.575 57.974 56.400 -0.001 0.000 0.809 129 E CB -0.174 29.526 29.700 -0.001 0.000 0.749 129 E HN 0.580 nan 8.360 nan 0.000 0.450 130 E N 0.541 120.743 120.200 0.004 0.000 2.153 130 E HA -0.173 4.177 4.350 0.000 0.000 0.194 130 E C 2.289 178.896 176.600 0.010 0.000 0.988 130 E CA 0.711 57.116 56.400 0.008 0.000 0.811 130 E CB -0.158 29.547 29.700 0.010 0.000 0.746 130 E HN 0.346 nan 8.360 nan 0.000 0.466 131 L N 0.574 121.802 121.223 0.009 0.000 2.083 131 L HA -0.171 4.169 4.340 0.000 0.000 0.209 131 L C 2.608 179.483 176.870 0.010 0.000 1.083 131 L CA 1.113 55.959 54.840 0.011 0.000 0.752 131 L CB -0.310 41.755 42.059 0.009 0.000 0.899 131 L HN 0.038 nan 8.230 nan 0.000 0.433 132 K N -0.018 120.386 120.400 0.007 0.000 2.103 132 K HA -0.187 4.133 4.320 0.000 0.000 0.207 132 K C 2.074 178.679 176.600 0.008 0.000 1.048 132 K CA 1.528 57.819 56.287 0.006 0.000 0.930 132 K CB -0.115 32.387 32.500 0.003 0.000 0.716 132 K HN 0.318 nan 8.250 nan 0.000 0.444 133 A N 0.110 122.935 122.820 0.009 0.000 1.970 133 A HA -0.036 4.284 4.320 0.000 0.000 0.216 133 A C 1.875 179.467 177.584 0.013 0.000 1.170 133 A CA 0.675 52.718 52.037 0.010 0.000 0.645 133 A CB -0.262 18.743 19.000 0.010 0.000 0.816 133 A HN 0.285 nan 8.150 nan 0.000 0.447 134 L N -0.206 121.026 121.223 0.015 0.000 2.376 134 L HA 0.112 4.452 4.340 0.000 0.000 0.219 134 L C 1.290 178.171 176.870 0.019 0.000 1.133 134 L CA 0.713 55.565 54.840 0.019 0.000 0.816 134 L CB -0.317 41.756 42.059 0.022 0.000 0.933 134 L HN 0.235 nan 8.230 nan 0.000 0.449 135 S N -0.677 115.032 115.700 0.015 0.000 2.525 135 S HA 0.168 4.638 4.470 0.000 0.000 0.285 135 S C -0.141 174.467 174.600 0.014 0.000 1.283 135 S CA -0.547 57.661 58.200 0.014 0.000 1.072 135 S CB 0.275 63.482 63.200 0.012 0.000 0.867 135 S HN 0.034 nan 8.310 nan 0.000 0.492 136 V N 9.105 129.028 119.914 0.015 0.000 2.432 136 V HA 0.363 4.483 4.120 0.000 0.000 0.275 136 V C -1.719 174.382 176.094 0.011 0.000 1.043 136 V CA -1.716 60.592 62.300 0.013 0.000 0.925 136 V CB 1.092 32.924 31.823 0.015 0.000 0.985 136 V HN 0.764 nan 8.190 nan 0.000 0.466 137 P HA 0.128 nan 4.420 nan 0.000 0.272 137 P C -0.623 176.682 177.300 0.009 0.000 1.223 137 P CA -0.290 62.815 63.100 0.009 0.000 0.784 137 P CB 0.922 32.627 31.700 0.008 0.000 0.923 138 C N 2.736 122.041 119.300 0.008 0.000 2.814 138 C HA 0.507 4.967 4.460 0.000 0.000 0.269 138 C C 0.803 175.797 174.990 0.007 0.000 1.090 138 C CA 0.251 59.274 59.018 0.008 0.000 1.492 138 C CB -1.185 26.560 27.740 0.009 0.000 1.825 138 C HN 0.657 nan 8.230 nan 0.000 0.442 139 S N 1.537 117.241 115.700 0.006 0.000 2.820 139 S HA 0.238 4.708 4.470 0.000 0.000 0.265 139 S C -0.375 174.228 174.600 0.005 0.000 1.043 139 S CA -0.225 57.978 58.200 0.005 0.000 1.245 139 S CB -0.178 63.025 63.200 0.005 0.000 1.187 139 S HN 0.851 nan 8.310 nan 0.000 0.673 140 D N 0.656 121.059 120.400 0.005 0.000 2.340 140 D HA 0.448 5.088 4.640 0.000 0.000 0.243 140 D C 0.572 176.875 176.300 0.004 0.000 0.988 140 D CA -0.607 53.395 54.000 0.004 0.000 0.959 140 D CB 1.618 42.420 40.800 0.004 0.000 1.226 140 D HN -0.083 nan 8.370 nan 0.000 0.509 141 S N -0.137 115.565 115.700 0.004 0.000 2.374 141 S HA -0.188 4.282 4.470 0.000 0.000 0.227 141 S C 1.576 176.179 174.600 0.004 0.000 1.037 141 S CA 1.357 59.560 58.200 0.004 0.000 1.024 141 S CB -0.165 63.037 63.200 0.003 0.000 0.861 141 S HN 0.431 nan 8.310 nan 0.000 0.456 142 K N 2.174 122.576 120.400 0.004 0.000 2.032 142 K HA 0.082 4.403 4.320 0.000 0.000 0.209 142 K C 2.122 178.725 176.600 0.004 0.000 1.048 142 K CA 1.483 57.772 56.287 0.004 0.000 0.927 142 K CB -1.424 31.078 32.500 0.004 0.000 0.712 142 K HN 0.359 nan 8.250 nan 0.000 0.441 143 A N 1.036 123.859 122.820 0.005 0.000 1.969 143 A HA -0.048 4.272 4.320 0.000 0.000 0.218 143 A C 2.359 179.947 177.584 0.006 0.000 1.169 143 A CA 1.187 53.228 52.037 0.006 0.000 0.635 143 A CB -0.656 18.348 19.000 0.006 0.000 0.810 143 A HN 0.232 nan 8.150 nan 0.000 0.445 144 I N -0.416 120.157 120.570 0.006 0.000 2.252 144 I HA -0.240 3.930 4.170 0.000 0.000 0.245 144 I C 2.969 179.091 176.117 0.007 0.000 1.102 144 I CA 0.951 62.256 61.300 0.007 0.000 1.385 144 I CB -0.276 37.728 38.000 0.007 0.000 1.064 144 I HN 0.346 nan 8.210 nan 0.000 0.414 145 A N 0.002 122.825 122.820 0.005 0.000 1.908 145 A HA -0.297 4.023 4.320 0.000 0.000 0.218 145 A C 2.252 179.838 177.584 0.003 0.000 1.181 145 A CA 1.798 53.838 52.037 0.004 0.000 0.627 145 A CB -0.696 18.305 19.000 0.003 0.000 0.818 145 A HN 0.443 nan 8.150 nan 0.000 0.445 146 Q N -0.793 119.009 119.800 0.003 0.000 2.061 146 Q HA -0.134 4.206 4.340 0.000 0.000 0.204 146 Q C 2.143 178.145 176.000 0.003 0.000 0.984 146 Q CA 1.947 57.752 55.803 0.003 0.000 0.846 146 Q CB -0.266 28.474 28.738 0.003 0.000 0.902 146 Q HN 0.476 nan 8.270 nan 0.000 0.421 147 V N -0.306 119.611 119.914 0.005 0.000 2.453 147 V HA -0.164 3.956 4.120 0.000 0.000 0.247 147 V C 2.094 178.192 176.094 0.007 0.000 1.048 147 V CA 1.824 64.128 62.300 0.007 0.000 1.049 147 V CB -0.914 30.915 31.823 0.010 0.000 0.672 147 V HN 0.563 nan 8.190 nan 0.000 0.457 148 G N -0.155 108.650 108.800 0.008 0.000 2.421 148 G HA2 -0.311 3.649 3.960 0.000 0.000 0.216 148 G HA3 -0.311 3.649 3.960 0.000 0.000 0.216 148 G C 1.816 176.718 174.900 0.002 0.000 1.171 148 G CA 1.623 46.728 45.100 0.007 0.000 0.775 148 G HN 0.525 nan 8.290 nan 0.000 0.543 149 T N -0.484 114.071 114.554 0.001 0.000 2.962 149 T HA 0.056 4.406 4.350 0.000 0.000 0.270 149 T C 2.376 177.073 174.700 -0.004 0.000 1.088 149 T CA 0.972 63.071 62.100 -0.002 0.000 1.127 149 T CB -0.221 68.646 68.868 -0.003 0.000 0.883 149 T HN 0.243 nan 8.240 nan 0.000 0.493 150 I N 1.491 122.059 120.570 -0.003 0.000 2.286 150 I HA -0.084 4.086 4.170 0.000 0.000 0.245 150 I C 2.651 178.765 176.117 -0.005 0.000 1.104 150 I CA 1.214 62.511 61.300 -0.005 0.000 1.397 150 I CB -0.181 37.817 38.000 -0.003 0.000 1.072 150 I HN 0.275 nan 8.210 nan 0.000 0.417 151 S N 0.733 116.432 115.700 -0.002 0.000 2.515 151 S HA 0.071 4.541 4.470 0.000 0.000 0.231 151 S C 1.531 176.126 174.600 -0.008 0.000 0.987 151 S CA 0.770 58.969 58.200 -0.003 0.000 0.936 151 S CB -0.092 63.110 63.200 0.004 0.000 0.766 151 S HN 0.463 nan 8.310 nan 0.000 0.528 152 A N 1.599 124.414 122.820 -0.009 0.000 2.610 152 A HA 0.375 4.695 4.320 0.000 0.000 0.286 152 A C 0.611 178.188 177.584 -0.012 0.000 1.306 152 A CA -0.525 51.505 52.037 -0.012 0.000 0.942 152 A CB -0.517 18.477 19.000 -0.010 0.000 1.112 152 A HN 0.405 nan 8.150 nan 0.000 0.527 153 N N 0.279 118.971 118.700 -0.012 0.000 2.756 153 N HA -0.197 4.543 4.740 0.000 0.000 0.248 153 N C 0.080 175.583 175.510 -0.012 0.000 1.062 153 N CA 0.854 53.896 53.050 -0.013 0.000 0.696 153 N CB -1.077 37.402 38.487 -0.014 0.000 0.946 153 N HN 0.503 nan 8.380 nan 0.000 0.548 154 S N -1.162 114.532 115.700 -0.011 0.000 3.382 154 S HA -0.214 4.256 4.470 0.000 0.000 0.293 154 S C -0.240 174.355 174.600 -0.009 0.000 1.262 154 S CA 1.115 59.309 58.200 -0.010 0.000 0.969 154 S CB -0.738 62.455 63.200 -0.012 0.000 1.136 154 S HN 0.712 nan 8.310 nan 0.000 0.635 155 D N 1.778 122.173 120.400 -0.008 0.000 2.422 155 D HA 0.316 4.956 4.640 0.000 0.000 0.227 155 D C 1.164 177.461 176.300 -0.006 0.000 1.190 155 D CA -0.249 53.747 54.000 -0.007 0.000 0.905 155 D CB 0.614 41.409 40.800 -0.008 0.000 1.034 155 D HN 0.632 nan 8.370 nan 0.000 0.507 156 E N 1.046 121.243 120.200 -0.005 0.000 2.267 156 E HA -0.198 4.152 4.350 0.000 0.000 0.197 156 E C 1.296 177.894 176.600 -0.003 0.000 0.998 156 E CA 1.269 57.666 56.400 -0.003 0.000 0.830 156 E CB -0.244 29.454 29.700 -0.003 0.000 0.751 156 E HN 0.290 nan 8.360 nan 0.000 0.491 157 T N 0.604 115.156 114.554 -0.003 0.000 2.708 157 T HA -0.129 4.221 4.350 0.000 0.000 0.266 157 T C 1.982 176.680 174.700 -0.003 0.000 1.037 157 T CA 1.521 63.620 62.100 -0.003 0.000 1.146 157 T CB -0.354 68.511 68.868 -0.004 0.000 0.865 157 T HN 0.074 nan 8.240 nan 0.000 0.435 158 V N 1.461 121.373 119.914 -0.004 0.000 2.343 158 V HA -0.106 4.014 4.120 0.000 0.000 0.247 158 V C 2.856 178.950 176.094 -0.000 0.000 1.051 158 V CA 1.910 64.208 62.300 -0.003 0.000 1.036 158 V CB -1.452 30.368 31.823 -0.006 0.000 0.654 158 V HN 0.605 nan 8.190 nan 0.000 0.451 159 G N -0.471 108.329 108.800 -0.000 0.000 2.459 159 G HA2 -0.313 3.647 3.960 0.000 0.000 0.217 159 G HA3 -0.313 3.647 3.960 0.000 0.000 0.217 159 G C 1.656 176.557 174.900 0.003 0.000 1.183 159 G CA 1.145 46.246 45.100 0.002 0.000 0.776 159 G HN 0.442 nan 8.290 nan 0.000 0.552 160 K N -0.321 120.080 120.400 0.001 0.000 2.059 160 K HA -0.066 4.254 4.320 0.000 0.000 0.212 160 K C 2.609 179.210 176.600 0.002 0.000 1.050 160 K CA 1.275 57.563 56.287 0.001 0.000 0.927 160 K CB -0.331 32.169 32.500 0.000 0.000 0.714 160 K HN 0.298 nan 8.250 nan 0.000 0.447 161 L N 0.785 122.009 121.223 0.002 0.000 2.012 161 L HA -0.249 4.091 4.340 0.000 0.000 0.210 161 L C 2.327 179.200 176.870 0.005 0.000 1.073 161 L CA 0.909 55.751 54.840 0.003 0.000 0.748 161 L CB -0.474 41.586 42.059 0.002 0.000 0.891 161 L HN 0.237 nan 8.230 nan 0.000 0.431 162 I N 0.163 120.737 120.570 0.007 0.000 2.127 162 I HA -0.293 3.877 4.170 0.000 0.000 0.241 162 I C 2.863 178.985 176.117 0.009 0.000 1.075 162 I CA 1.742 63.049 61.300 0.011 0.000 1.334 162 I CB -1.545 36.464 38.000 0.014 0.000 1.040 162 I HN 0.220 nan 8.210 nan 0.000 0.405 163 A N 0.508 123.332 122.820 0.007 0.000 1.908 163 A HA -0.224 4.096 4.320 0.000 0.000 0.218 163 A C 2.285 179.871 177.584 0.005 0.000 1.181 163 A CA 1.738 53.778 52.037 0.006 0.000 0.627 163 A CB -0.674 18.328 19.000 0.005 0.000 0.818 163 A HN 0.487 nan 8.150 nan 0.000 0.445 164 E N -0.423 119.779 120.200 0.004 0.000 2.051 164 E HA -0.113 4.237 4.350 0.000 0.000 0.192 164 E C 2.371 178.973 176.600 0.004 0.000 0.991 164 E CA 0.959 57.361 56.400 0.003 0.000 0.799 164 E CB -0.289 29.413 29.700 0.002 0.000 0.748 164 E HN 0.621 nan 8.360 nan 0.000 0.449 165 A N 0.895 123.718 122.820 0.005 0.000 1.883 165 A HA -0.213 4.107 4.320 0.000 0.000 0.217 165 A C 2.131 179.717 177.584 0.005 0.000 1.186 165 A CA 1.529 53.570 52.037 0.005 0.000 0.624 165 A CB -0.463 18.542 19.000 0.008 0.000 0.822 165 A HN 0.180 nan 8.150 nan 0.000 0.444 166 M N -1.089 118.514 119.600 0.006 0.000 2.296 166 M HA -0.126 4.354 4.480 0.000 0.000 0.265 166 M C 1.740 178.042 176.300 0.003 0.000 1.064 166 M CA 1.764 57.067 55.300 0.005 0.000 1.109 166 M CB -0.181 32.422 32.600 0.006 0.000 1.396 166 M HN 0.593 nan 8.290 nan 0.000 0.430 167 D N 0.117 120.519 120.400 0.003 0.000 2.123 167 D HA -0.159 4.481 4.640 0.000 0.000 0.200 167 D C 1.829 178.130 176.300 0.002 0.000 0.976 167 D CA 1.251 55.252 54.000 0.002 0.000 0.831 167 D CB 0.190 40.991 40.800 0.002 0.000 0.974 167 D HN 0.032 nan 8.370 nan 0.000 0.469 168 K N -0.993 119.408 120.400 0.002 0.000 2.283 168 K HA 0.040 4.360 4.320 0.000 0.000 0.202 168 K C 1.102 177.702 176.600 0.001 0.000 1.048 168 K CA 0.586 56.874 56.287 0.001 0.000 0.948 168 K CB 0.270 32.771 32.500 0.001 0.000 0.742 168 K HN 0.074 nan 8.250 nan 0.000 0.458 169 V N -1.114 118.801 119.914 0.001 0.000 3.392 169 V HA 0.310 4.430 4.120 0.000 0.000 0.294 169 V C -0.414 175.681 176.094 0.000 0.000 1.561 169 V CA 0.431 62.731 62.300 0.001 0.000 1.056 169 V CB 0.753 32.577 31.823 0.002 0.000 0.882 169 V HN 0.437 nan 8.190 nan 0.000 0.440 170 G N 0.851 109.651 108.800 0.001 0.000 2.675 170 G HA2 -0.163 3.797 3.960 0.000 0.000 0.686 170 G HA3 -0.163 3.797 3.960 0.000 0.000 0.686 170 G C 0.074 174.974 174.900 0.000 0.000 1.215 170 G CA 0.043 45.143 45.100 0.000 0.000 0.777 170 G HN 0.243 nan 8.290 nan 0.000 0.638 171 K N 0.139 120.539 120.400 0.000 0.000 2.147 171 K HA -0.075 4.245 4.320 0.000 0.000 0.205 171 K C 1.866 178.465 176.600 -0.002 0.000 1.049 171 K CA 1.711 57.998 56.287 0.001 0.000 0.936 171 K CB 0.020 32.521 32.500 0.001 0.000 0.722 171 K HN 0.385 nan 8.250 nan 0.000 0.446 172 E N 0.205 120.403 120.200 -0.003 0.000 2.478 172 E HA 0.054 4.404 4.350 0.000 0.000 0.194 172 E C 0.750 177.346 176.600 -0.007 0.000 1.045 172 E CA 0.061 56.458 56.400 -0.006 0.000 0.868 172 E CB -0.053 29.644 29.700 -0.005 0.000 0.885 172 E HN 0.299 nan 8.360 nan 0.000 0.505 173 G N 0.372 109.170 108.800 -0.004 0.000 2.684 173 G HA2 0.218 4.178 3.960 0.000 0.000 0.255 173 G HA3 0.218 4.178 3.960 0.000 0.000 0.255 173 G C -0.385 174.512 174.900 -0.005 0.000 1.219 173 G CA -0.230 44.868 45.100 -0.003 0.000 0.901 173 G HN 0.123 nan 8.290 nan 0.000 0.548 174 V N 0.157 120.069 119.914 -0.003 0.000 2.407 174 V HA 0.714 4.834 4.120 0.000 0.000 0.278 174 V C -0.406 175.687 176.094 -0.001 0.000 1.037 174 V CA -0.755 61.542 62.300 -0.006 0.000 0.900 174 V CB 0.549 32.367 31.823 -0.007 0.000 0.983 174 V HN 0.466 nan 8.190 nan 0.000 0.459 175 I N 6.457 127.027 120.570 0.001 0.000 2.499 175 I HA 0.520 4.690 4.170 0.000 0.000 0.288 175 I C 0.235 176.362 176.117 0.016 0.000 1.048 175 I CA -0.309 60.996 61.300 0.010 0.000 1.062 175 I CB 2.430 40.439 38.000 0.015 0.000 1.238 175 I HN 0.822 nan 8.210 nan 0.000 0.426 176 T N 2.639 117.201 114.554 0.014 0.000 2.949 176 T HA 0.800 5.150 4.350 0.000 0.000 0.287 176 T C -0.448 174.262 174.700 0.017 0.000 1.034 176 T CA -0.837 61.274 62.100 0.019 0.000 1.018 176 T CB 2.108 70.981 68.868 0.009 0.000 1.135 176 T HN 0.185 nan 8.240 nan 0.000 0.532 177 V N 1.053 120.977 119.914 0.016 0.000 2.540 177 V HA 0.596 4.716 4.120 0.000 0.000 0.302 177 V C -0.345 175.751 176.094 0.002 0.000 1.035 177 V CA -0.765 61.539 62.300 0.008 0.000 0.873 177 V CB 1.272 33.098 31.823 0.004 0.000 0.992 177 V HN 0.995 nan 8.190 nan 0.000 0.428 178 E N 1.369 121.569 120.200 -0.001 0.000 2.423 178 E HA 0.433 4.783 4.350 0.000 0.000 0.269 178 E C -1.486 175.111 176.600 -0.005 0.000 0.948 178 E CA -1.125 55.273 56.400 -0.003 0.000 0.802 178 E CB 1.596 31.294 29.700 -0.003 0.000 1.339 178 E HN 0.626 nan 8.360 nan 0.000 0.445 179 D N 0.751 121.148 120.400 -0.005 0.000 2.449 179 D HA 0.166 4.806 4.640 0.000 0.000 0.236 179 D C 0.211 176.508 176.300 -0.005 0.000 1.149 179 D CA 0.428 54.424 54.000 -0.005 0.000 0.878 179 D CB 0.672 41.469 40.800 -0.005 0.000 1.198 179 D HN 0.480 nan 8.370 nan 0.000 0.446 180 G N -0.387 108.410 108.800 -0.005 0.000 2.588 180 G HA2 0.365 4.325 3.960 0.000 0.000 0.281 180 G HA3 0.365 4.325 3.960 0.000 0.000 0.281 180 G C 0.728 175.626 174.900 -0.004 0.000 1.236 180 G CA -0.155 44.942 45.100 -0.004 0.000 0.969 180 G HN 0.481 nan 8.290 nan 0.000 0.504 181 T N -3.430 111.122 114.554 -0.004 0.000 2.975 181 T HA 0.521 4.871 4.350 0.000 0.000 0.257 181 T C 0.929 175.627 174.700 -0.003 0.000 1.003 181 T CA 0.692 62.790 62.100 -0.004 0.000 0.932 181 T CB 0.670 69.535 68.868 -0.004 0.000 1.087 181 T HN 1.152 nan 8.240 nan 0.000 0.512 182 G N 0.971 109.769 108.800 -0.003 0.000 2.694 182 G HA2 0.470 4.430 3.960 0.000 0.000 0.246 182 G HA3 0.470 4.430 3.960 0.000 0.000 0.246 182 G C -0.239 174.659 174.900 -0.003 0.000 1.205 182 G CA -0.151 44.947 45.100 -0.003 0.000 0.891 182 G HN 0.111 nan 8.290 nan 0.000 0.515 183 L N -0.090 121.131 121.223 -0.003 0.000 2.162 183 L HA 0.352 4.692 4.340 0.000 0.000 0.205 183 L C 0.999 177.867 176.870 -0.003 0.000 1.086 183 L CA 1.159 55.998 54.840 -0.003 0.000 0.778 183 L CB -0.429 41.628 42.059 -0.003 0.000 0.928 183 L HN 0.333 nan 8.230 nan 0.000 0.446 184 Q N 1.631 121.429 119.800 -0.003 0.000 2.327 184 Q HA 0.110 4.450 4.340 0.000 0.000 0.254 184 Q C -0.676 175.322 176.000 -0.003 0.000 0.952 184 Q CA -0.147 55.654 55.803 -0.003 0.000 0.884 184 Q CB 0.518 29.255 28.738 -0.002 0.000 1.224 184 Q HN 0.299 nan 8.270 nan 0.000 0.422 185 D N 2.022 122.421 120.400 -0.003 0.000 2.362 185 D HA 0.118 4.758 4.640 0.000 0.000 0.242 185 D C 0.111 176.410 176.300 -0.002 0.000 1.132 185 D CA 0.322 54.320 54.000 -0.003 0.000 0.907 185 D CB 0.989 41.788 40.800 -0.002 0.000 1.195 185 D HN 0.324 nan 8.370 nan 0.000 0.429 186 E N 0.254 120.452 120.200 -0.002 0.000 2.369 186 E HA 0.605 4.955 4.350 0.000 0.000 0.270 186 E C -0.948 175.652 176.600 -0.001 0.000 0.909 186 E CA -1.050 55.349 56.400 -0.002 0.000 0.775 186 E CB 2.654 32.353 29.700 -0.002 0.000 1.270 186 E HN 0.108 nan 8.360 nan 0.000 0.445 187 L N 1.925 123.147 121.223 -0.001 0.000 2.482 187 L HA 0.402 4.742 4.340 0.000 0.000 0.269 187 L C -2.097 174.773 176.870 -0.000 0.000 0.967 187 L CA -0.253 54.587 54.840 0.000 0.000 0.851 187 L CB 1.466 43.525 42.059 0.001 0.000 1.242 187 L HN 0.573 nan 8.230 nan 0.000 0.404 188 D N 3.665 124.064 120.400 -0.000 0.000 2.596 188 D HA 0.537 5.177 4.640 0.000 0.000 0.234 188 D C -1.184 175.116 176.300 -0.000 0.000 1.181 188 D CA -0.533 53.467 54.000 -0.001 0.000 0.856 188 D CB 2.077 42.876 40.800 -0.002 0.000 1.498 188 D HN 0.259 nan 8.370 nan 0.000 0.446 189 V N 0.342 120.256 119.914 -0.000 0.000 2.483 189 V HA 0.662 4.782 4.120 0.000 0.000 0.295 189 V C -0.153 175.941 176.094 -0.000 0.000 1.035 189 V CA -0.721 61.579 62.300 0.000 0.000 0.896 189 V CB 1.618 33.441 31.823 0.001 0.000 0.986 189 V HN 0.551 nan 8.190 nan 0.000 0.447 190 V N 2.644 122.559 119.914 0.001 0.000 2.925 190 V HA 0.471 4.591 4.120 0.000 0.000 0.311 190 V C -0.506 175.589 176.094 0.002 0.000 1.104 190 V CA -0.783 61.517 62.300 0.000 0.000 0.954 190 V CB 2.562 34.385 31.823 -0.001 0.000 1.022 190 V HN 0.904 nan 8.190 nan 0.000 0.427 191 E N 2.423 122.624 120.200 0.003 0.000 2.465 191 E HA 0.469 4.819 4.350 0.000 0.000 0.260 191 E C 0.335 176.941 176.600 0.010 0.000 0.980 191 E CA 0.900 57.303 56.400 0.006 0.000 0.927 191 E CB 0.835 30.538 29.700 0.005 0.000 0.934 191 E HN 1.012 nan 8.360 nan 0.000 0.459 192 G N 1.078 109.887 108.800 0.015 0.000 2.340 192 G HA2 0.515 4.475 3.960 0.000 0.000 0.299 192 G HA3 0.515 4.475 3.960 0.000 0.000 0.299 192 G C -1.302 173.618 174.900 0.034 0.000 1.291 192 G CA -0.658 44.456 45.100 0.023 0.000 0.841 192 G HN 0.416 nan 8.290 nan 0.000 0.500 193 M N -0.076 119.553 119.600 0.048 0.000 2.523 193 M HA 0.516 4.996 4.480 0.000 0.000 0.287 193 M C -2.150 174.198 176.300 0.081 0.000 1.160 193 M CA -0.586 54.760 55.300 0.076 0.000 0.902 193 M CB 2.430 35.101 32.600 0.118 0.000 1.752 193 M HN 0.756 nan 8.290 nan 0.000 0.504 194 Q N 3.653 123.501 119.800 0.080 0.000 2.337 194 Q HA 0.720 5.060 4.340 0.000 0.000 0.270 194 Q C -2.100 173.964 176.000 0.106 0.000 1.043 194 Q CA -0.662 55.153 55.803 0.020 0.000 0.794 194 Q CB 1.851 30.569 28.738 -0.033 0.000 1.281 194 Q HN 0.562 nan 8.270 nan 0.000 0.446 195 F N -0.111 119.829 119.950 -0.016 0.000 2.603 195 F HA 0.554 5.081 4.527 0.000 0.000 0.317 195 F C -0.820 174.969 175.800 -0.018 0.000 1.066 195 F CA -1.236 56.756 58.000 -0.015 0.000 0.941 195 F CB 1.224 40.218 39.000 -0.011 0.000 1.291 195 F HN 0.370 nan 8.300 nan 0.000 0.472 196 D N 1.881 122.393 120.400 0.186 0.000 2.994 196 D HA 0.243 4.883 4.640 0.000 0.000 0.240 196 D C -0.549 175.792 176.300 0.067 0.000 1.195 196 D CA 0.014 54.048 54.000 0.057 0.000 0.957 196 D CB -0.055 40.776 40.800 0.052 0.000 1.105 196 D HN 0.205 nan 8.370 nan 0.000 0.477 197 R N 0.488 120.994 120.500 0.010 0.000 2.575 197 R HA 0.595 4.935 4.340 0.000 0.000 0.293 197 R C 0.383 176.616 176.300 -0.112 0.000 0.983 197 R CA -0.789 55.328 56.100 0.027 0.000 0.887 197 R CB 1.834 32.275 30.300 0.235 0.000 1.184 197 R HN 0.241 nan 8.270 nan 0.000 0.445 198 G N 1.247 109.965 108.800 -0.136 0.000 2.557 198 G HA2 0.346 4.306 3.960 0.000 0.000 0.292 198 G HA3 0.346 4.306 3.960 0.000 0.000 0.292 198 G C -0.493 174.315 174.900 -0.154 0.000 1.237 198 G CA -0.463 44.473 45.100 -0.274 0.000 0.978 198 G HN 0.471 nan 8.290 nan 0.000 0.498 199 Y N -1.390 118.935 120.300 0.043 0.000 2.550 199 Y HA 0.283 4.834 4.550 0.000 0.000 0.343 199 Y C 1.232 177.226 175.900 0.156 0.000 1.245 199 Y CA -0.927 57.242 58.100 0.115 0.000 1.462 199 Y CB 0.381 38.952 38.460 0.185 0.000 1.340 199 Y HN 0.192 nan 8.280 nan 0.000 0.604 200 L N 1.407 122.924 121.223 0.490 0.000 2.375 200 L HA 0.074 4.415 4.340 0.000 0.000 0.215 200 L C 0.725 177.807 176.870 0.353 0.000 1.108 200 L CA 0.940 56.003 54.840 0.371 0.000 0.830 200 L CB -0.069 42.178 42.059 0.314 0.000 0.959 200 L HN 0.845 nan 8.230 nan 0.000 0.457 201 S N -2.164 113.767 115.700 0.387 0.000 2.549 201 S HA 0.411 4.881 4.470 0.000 0.000 0.280 201 S C -2.337 172.129 174.600 -0.223 0.000 1.109 201 S CA -1.252 56.965 58.200 0.027 0.000 0.905 201 S CB 1.840 64.941 63.200 -0.164 0.000 1.081 201 S HN -0.253 nan 8.310 nan 0.000 0.477 202 P HA -0.026 nan 4.420 nan 0.000 0.226 202 P C 0.322 177.178 177.300 -0.741 0.000 1.146 202 P CA 0.986 63.643 63.100 -0.738 0.000 0.773 202 P CB -0.209 31.148 31.700 -0.572 0.000 0.772 203 Y N -2.645 117.384 120.300 -0.452 0.000 2.457 203 Y HA 0.025 4.575 4.550 0.000 0.000 0.292 203 Y C 1.811 177.495 175.900 -0.359 0.000 1.125 203 Y CA 0.455 58.312 58.100 -0.405 0.000 1.254 203 Y CB -1.197 37.014 38.460 -0.414 0.000 1.012 203 Y HN -0.081 nan 8.280 nan 0.000 0.555 204 F N -0.076 119.828 119.950 -0.075 0.000 2.451 204 F HA -0.032 4.495 4.527 0.000 0.000 0.299 204 F C 0.995 176.735 175.800 -0.100 0.000 1.101 204 F CA -0.215 57.750 58.000 -0.058 0.000 1.436 204 F CB -0.946 38.034 39.000 -0.033 0.000 1.074 204 F HN -0.154 nan 8.300 nan 0.000 0.553 205 I N 2.816 123.346 120.570 -0.067 0.000 2.907 205 I HA -0.198 3.972 4.170 0.000 0.000 0.285 205 I C 0.905 177.012 176.117 -0.017 0.000 1.189 205 I CA 0.274 61.522 61.300 -0.087 0.000 1.376 205 I CB -0.038 37.842 38.000 -0.200 0.000 1.420 205 I HN 0.215 nan 8.210 nan 0.000 0.544 206 N N 5.801 124.512 118.700 0.017 0.000 2.299 206 N HA -0.005 4.735 4.740 0.000 0.000 0.187 206 N C 0.016 175.526 175.510 0.000 0.000 1.099 206 N CA 0.210 53.269 53.050 0.014 0.000 0.867 206 N CB 0.343 38.848 38.487 0.029 0.000 0.974 206 N HN 0.410 nan 8.380 nan 0.000 0.477 207 K N 1.091 121.491 120.400 -0.001 0.000 2.679 207 K HA 0.242 4.562 4.320 0.000 0.000 0.188 207 K C -2.094 174.499 176.600 -0.012 0.000 1.055 207 K CA -1.660 54.624 56.287 -0.005 0.000 1.006 207 K CB 2.029 34.531 32.500 0.003 0.000 1.317 207 K HN 0.017 nan 8.250 nan 0.000 0.584 208 P HA -0.176 nan 4.420 nan 0.000 0.221 208 P C 0.298 177.583 177.300 -0.025 0.000 1.145 208 P CA 1.270 64.349 63.100 -0.034 0.000 0.795 208 P CB 0.437 32.106 31.700 -0.050 0.000 0.775 209 E N -0.525 119.662 120.200 -0.021 0.000 2.152 209 E HA -0.068 4.282 4.350 0.000 0.000 0.192 209 E C 1.784 178.378 176.600 -0.012 0.000 0.983 209 E CA 1.355 57.744 56.400 -0.019 0.000 0.818 209 E CB -1.405 28.283 29.700 -0.020 0.000 0.758 209 E HN 0.209 nan 8.360 nan 0.000 0.467 210 T N -0.651 113.902 114.554 -0.003 0.000 3.067 210 T HA 0.190 4.540 4.350 0.000 0.000 0.257 210 T C 1.264 175.982 174.700 0.030 0.000 1.105 210 T CA 0.515 62.621 62.100 0.010 0.000 1.104 210 T CB 0.054 68.932 68.868 0.016 0.000 0.925 210 T HN 0.404 nan 8.240 nan 0.000 0.498 211 G N 1.756 110.570 108.800 0.023 0.000 2.273 211 G HA2 -0.005 3.955 3.960 0.000 0.000 0.280 211 G HA3 -0.005 3.955 3.960 0.000 0.000 0.280 211 G C 0.063 175.018 174.900 0.092 0.000 1.047 211 G CA 0.064 45.187 45.100 0.039 0.000 0.869 211 G HN 0.886 nan 8.290 nan 0.000 0.502 212 A N -1.275 121.586 122.820 0.069 0.000 2.350 212 A HA 0.932 5.252 4.320 0.000 0.000 0.318 212 A C -0.116 177.514 177.584 0.076 0.000 1.132 212 A CA -0.348 51.751 52.037 0.103 0.000 0.811 212 A CB 2.059 21.103 19.000 0.074 0.000 1.313 212 A HN 1.226 nan 8.150 nan 0.000 0.454 213 V N 0.941 120.919 119.914 0.107 0.000 2.417 213 V HA 0.508 4.628 4.120 0.000 0.000 0.291 213 V C -0.188 175.936 176.094 0.049 0.000 1.024 213 V CA -0.310 62.039 62.300 0.080 0.000 0.861 213 V CB 1.104 32.998 31.823 0.119 0.000 0.985 213 V HN 0.912 nan 8.190 nan 0.000 0.436 214 E N 4.578 124.797 120.200 0.032 0.000 2.255 214 E HA 0.606 4.956 4.350 0.000 0.000 0.256 214 E C -1.633 174.973 176.600 0.010 0.000 0.887 214 E CA -0.487 55.923 56.400 0.017 0.000 0.782 214 E CB 1.614 31.322 29.700 0.014 0.000 1.214 214 E HN 0.618 nan 8.360 nan 0.000 0.417 215 L N 3.302 124.526 121.223 0.002 0.000 2.346 215 L HA 0.508 4.848 4.340 0.000 0.000 0.276 215 L C -0.150 176.712 176.870 -0.013 0.000 1.006 215 L CA -0.908 53.931 54.840 -0.003 0.000 0.817 215 L CB 1.788 43.844 42.059 -0.005 0.000 1.272 215 L HN 0.383 nan 8.230 nan 0.000 0.421 216 E N 1.406 121.596 120.200 -0.017 0.000 2.166 216 E HA 0.257 4.607 4.350 0.000 0.000 0.275 216 E C -0.223 176.346 176.600 -0.051 0.000 0.941 216 E CA -0.610 55.772 56.400 -0.029 0.000 0.784 216 E CB 1.742 31.428 29.700 -0.022 0.000 1.115 216 E HN 0.596 nan 8.360 nan 0.000 0.399 217 S N 1.883 117.540 115.700 -0.071 0.000 3.491 217 S HA -0.128 4.342 4.470 0.000 0.000 0.371 217 S C -2.102 172.392 174.600 -0.177 0.000 0.980 217 S CA 0.351 58.477 58.200 -0.123 0.000 1.204 217 S CB -1.336 61.787 63.200 -0.128 0.000 0.915 217 S HN 0.470 nan 8.310 nan 0.000 0.482 218 P HA 0.383 nan 4.420 nan 0.000 0.277 218 P C 0.085 177.304 177.300 -0.135 0.000 1.240 218 P CA -0.515 62.532 63.100 -0.088 0.000 0.798 218 P CB 0.447 32.135 31.700 -0.019 0.000 0.979 219 F N 1.249 121.199 119.950 -0.000 0.000 2.382 219 F HA 0.331 4.858 4.527 0.000 0.000 0.331 219 F C 0.996 176.795 175.800 -0.000 0.000 1.121 219 F CA 0.129 58.130 58.000 0.001 0.000 1.183 219 F CB 0.357 39.357 39.000 -0.000 0.000 1.207 219 F HN 0.085 nan 8.300 nan 0.000 0.555 220 I N 4.084 124.790 120.570 0.227 0.000 2.439 220 I HA 0.239 4.409 4.170 0.000 0.000 0.285 220 I C -1.238 174.935 176.117 0.094 0.000 1.021 220 I CA -0.840 60.533 61.300 0.123 0.000 1.091 220 I CB 1.710 39.764 38.000 0.090 0.000 1.242 220 I HN 0.252 nan 8.210 nan 0.000 0.439 221 L N 8.331 129.590 121.223 0.060 0.000 2.264 221 L HA 0.528 4.868 4.340 0.000 0.000 0.289 221 L C -1.043 175.840 176.870 0.022 0.000 1.044 221 L CA -0.079 54.779 54.840 0.030 0.000 0.807 221 L CB 0.768 42.835 42.059 0.013 0.000 1.192 221 L HN 0.447 nan 8.230 nan 0.000 0.425 222 L N 6.388 127.618 121.223 0.013 0.000 2.276 222 L HA 0.775 5.115 4.340 0.000 0.000 0.286 222 L C -0.046 176.821 176.870 -0.005 0.000 1.024 222 L CA -0.266 54.574 54.840 -0.000 0.000 0.826 222 L CB 1.276 43.331 42.059 -0.007 0.000 1.211 222 L HN 0.799 nan 8.230 nan 0.000 0.422 223 A N 1.875 124.693 122.820 -0.005 0.000 2.375 223 A HA 0.417 4.737 4.320 0.000 0.000 0.291 223 A C -0.817 176.764 177.584 -0.004 0.000 1.160 223 A CA -0.545 51.490 52.037 -0.004 0.000 0.747 223 A CB 0.907 19.908 19.000 0.002 0.000 1.170 223 A HN 0.667 nan 8.150 nan 0.000 0.458 224 D N 2.657 123.052 120.400 -0.008 0.000 2.517 224 D HA 0.450 5.090 4.640 0.000 0.000 0.220 224 D C -0.053 176.248 176.300 0.001 0.000 1.158 224 D CA 0.354 54.349 54.000 -0.008 0.000 0.992 224 D CB -0.467 40.325 40.800 -0.014 0.000 1.058 224 D HN 0.662 nan 8.370 nan 0.000 0.516 225 K N -0.062 120.342 120.400 0.007 0.000 2.960 225 K HA 0.205 4.525 4.320 0.000 0.000 0.296 225 K C -1.521 175.090 176.600 0.019 0.000 1.092 225 K CA -1.082 55.213 56.287 0.013 0.000 0.847 225 K CB 0.392 32.898 32.500 0.010 0.000 1.458 225 K HN -0.105 nan 8.250 nan 0.000 0.359 226 K N 1.453 121.866 120.400 0.022 0.000 2.276 226 K HA 0.355 4.675 4.320 0.000 0.000 0.283 226 K C -0.468 176.147 176.600 0.026 0.000 1.044 226 K CA -0.408 55.895 56.287 0.027 0.000 0.944 226 K CB 0.665 33.182 32.500 0.028 0.000 1.012 226 K HN 0.398 nan 8.250 nan 0.000 0.472 227 I N 3.140 123.728 120.570 0.032 0.000 2.282 227 I HA 0.004 4.174 4.170 0.000 0.000 0.290 227 I C 0.675 176.814 176.117 0.036 0.000 1.090 227 I CA 0.074 61.392 61.300 0.031 0.000 1.231 227 I CB 1.084 39.104 38.000 0.033 0.000 1.434 227 I HN 0.687 nan 8.210 nan 0.000 0.487 228 S N 3.656 119.374 115.700 0.029 0.000 2.412 228 S HA 0.136 4.606 4.470 0.000 0.000 0.223 228 S C 0.843 175.459 174.600 0.027 0.000 1.048 228 S CA 0.183 58.401 58.200 0.029 0.000 0.954 228 S CB 0.102 63.316 63.200 0.024 0.000 0.840 228 S HN 0.589 nan 8.310 nan 0.000 0.503 229 N N 1.434 120.148 118.700 0.023 0.000 2.524 229 N HA 0.272 5.012 4.740 0.000 0.000 0.283 229 N C 0.330 175.853 175.510 0.021 0.000 1.142 229 N CA -0.150 52.912 53.050 0.019 0.000 0.984 229 N CB 1.501 39.997 38.487 0.014 0.000 1.155 229 N HN 0.098 nan 8.380 nan 0.000 0.467 230 I N 1.794 122.376 120.570 0.020 0.000 3.226 230 I HA -0.032 4.138 4.170 0.000 0.000 0.277 230 I C 1.802 177.927 176.117 0.014 0.000 1.243 230 I CA 0.326 61.638 61.300 0.020 0.000 1.459 230 I CB 0.188 38.201 38.000 0.022 0.000 1.093 230 I HN 0.420 nan 8.210 nan 0.000 0.453 231 R N 1.060 121.566 120.500 0.011 0.000 2.119 231 R HA -0.232 4.108 4.340 0.000 0.000 0.246 231 R C 1.829 178.132 176.300 0.004 0.000 1.146 231 R CA 2.142 58.245 56.100 0.006 0.000 0.962 231 R CB -0.376 29.927 30.300 0.006 0.000 0.863 231 R HN 0.542 nan 8.270 nan 0.000 0.442 232 E N -0.080 120.123 120.200 0.006 0.000 2.204 232 E HA -0.136 4.214 4.350 0.000 0.000 0.194 232 E C 1.921 178.521 176.600 -0.000 0.000 0.989 232 E CA 0.734 57.135 56.400 0.002 0.000 0.824 232 E CB -0.015 29.688 29.700 0.005 0.000 0.756 232 E HN 0.249 nan 8.360 nan 0.000 0.477 233 M N 0.609 120.212 119.600 0.004 0.000 2.134 233 M HA -0.038 4.443 4.480 0.000 0.000 0.262 233 M C 2.430 178.728 176.300 -0.004 0.000 1.076 233 M CA 1.134 56.435 55.300 0.003 0.000 1.143 233 M CB -0.914 31.693 32.600 0.012 0.000 1.346 233 M HN 0.130 nan 8.290 nan 0.000 0.421 234 L N 0.486 121.708 121.223 -0.001 0.000 2.011 234 L HA -0.275 4.065 4.340 0.000 0.000 0.225 234 L C -0.343 176.519 176.870 -0.012 0.000 1.084 234 L CA 2.020 56.858 54.840 -0.004 0.000 0.791 234 L CB -2.864 39.194 42.059 -0.001 0.000 0.898 234 L HN 0.190 nan 8.230 nan 0.000 0.440 235 P HA -0.152 nan 4.420 nan 0.000 0.216 235 P C 1.840 179.118 177.300 -0.037 0.000 1.153 235 P CA 1.674 64.760 63.100 -0.024 0.000 0.858 235 P CB -0.046 31.640 31.700 -0.022 0.000 0.789 236 V N 0.250 120.140 119.914 -0.040 0.000 2.346 236 V HA -0.164 3.956 4.120 0.000 0.000 0.244 236 V C 2.864 178.923 176.094 -0.059 0.000 1.037 236 V CA 1.255 63.517 62.300 -0.063 0.000 1.029 236 V CB -1.355 30.432 31.823 -0.059 0.000 0.663 236 V HN -0.012 nan 8.190 nan 0.000 0.454 237 L N -0.087 121.118 121.223 -0.031 0.000 2.081 237 L HA -0.256 4.084 4.340 0.000 0.000 0.212 237 L C 2.635 179.497 176.870 -0.013 0.000 1.080 237 L CA 1.838 56.669 54.840 -0.014 0.000 0.754 237 L CB -0.477 41.583 42.059 0.002 0.000 0.893 237 L HN 0.466 nan 8.230 nan 0.000 0.433 238 E N -0.317 119.872 120.200 -0.018 0.000 2.046 238 E HA -0.165 4.185 4.350 0.000 0.000 0.190 238 E C 2.279 178.863 176.600 -0.026 0.000 0.982 238 E CA 1.041 57.432 56.400 -0.015 0.000 0.800 238 E CB -0.172 29.520 29.700 -0.013 0.000 0.756 238 E HN 0.477 nan 8.360 nan 0.000 0.449 239 A N 0.864 123.653 122.820 -0.051 0.000 1.978 239 A HA -0.150 4.170 4.320 0.000 0.000 0.220 239 A C 2.415 179.940 177.584 -0.098 0.000 1.170 239 A CA 1.104 53.094 52.037 -0.077 0.000 0.636 239 A CB -0.505 18.428 19.000 -0.111 0.000 0.810 239 A HN 0.119 nan 8.150 nan 0.000 0.448 240 V N -0.481 119.376 119.914 -0.095 0.000 2.379 240 V HA -0.168 3.952 4.120 0.000 0.000 0.245 240 V C 3.023 179.146 176.094 0.049 0.000 1.044 240 V CA 1.689 63.962 62.300 -0.046 0.000 1.036 240 V CB -1.059 30.753 31.823 -0.018 0.000 0.664 240 V HN 0.595 nan 8.190 nan 0.000 0.453 241 A N -0.713 122.123 122.820 0.028 0.000 1.978 241 A HA -0.243 4.077 4.320 0.000 0.000 0.220 241 A C 2.308 179.915 177.584 0.039 0.000 1.170 241 A CA 1.843 53.903 52.037 0.037 0.000 0.636 241 A CB -0.447 18.567 19.000 0.024 0.000 0.810 241 A HN 0.468 nan 8.150 nan 0.000 0.448 242 K N -0.692 119.724 120.400 0.027 0.000 2.211 242 K HA -0.014 4.306 4.320 0.000 0.000 0.203 242 K C 1.896 178.527 176.600 0.051 0.000 1.050 242 K CA 0.962 57.266 56.287 0.028 0.000 0.945 242 K CB -0.167 32.339 32.500 0.009 0.000 0.732 242 K HN 0.457 nan 8.250 nan 0.000 0.451 243 A N -0.188 122.685 122.820 0.089 0.000 2.218 243 A HA 0.164 4.484 4.320 0.000 0.000 0.209 243 A C 1.349 179.002 177.584 0.115 0.000 1.168 243 A CA 0.933 53.053 52.037 0.139 0.000 0.804 243 A CB -0.099 19.077 19.000 0.294 0.000 0.834 243 A HN 0.412 nan 8.150 nan 0.000 0.482 244 G N -0.675 108.182 108.800 0.094 0.000 2.168 244 G HA2 -0.293 3.667 3.960 0.000 0.000 0.263 244 G HA3 -0.293 3.667 3.960 0.000 0.000 0.263 244 G C 0.276 175.217 174.900 0.067 0.000 0.977 244 G CA 0.905 46.045 45.100 0.067 0.000 0.659 244 G HN 0.599 nan 8.290 nan 0.000 0.533 245 K N 1.075 121.538 120.400 0.106 0.000 2.095 245 K HA 0.569 4.889 4.320 0.000 0.000 0.252 245 K C -1.821 174.841 176.600 0.104 0.000 0.977 245 K CA -1.705 54.625 56.287 0.072 0.000 0.900 245 K CB 1.536 34.036 32.500 -0.000 0.000 1.060 245 K HN 0.102 nan 8.250 nan 0.000 0.449 246 P HA 0.199 nan 4.420 nan 0.000 0.279 246 P C -1.387 175.971 177.300 0.097 0.000 1.282 246 P CA -0.551 62.588 63.100 0.064 0.000 0.788 246 P CB 0.626 32.344 31.700 0.030 0.000 1.139 247 L N 0.245 121.509 121.223 0.069 0.000 2.436 247 L HA 0.514 4.854 4.340 0.000 0.000 0.268 247 L C -1.530 175.348 176.870 0.012 0.000 0.974 247 L CA -0.946 53.940 54.840 0.077 0.000 0.826 247 L CB 1.625 43.729 42.059 0.075 0.000 1.291 247 L HN 0.135 nan 8.230 nan 0.000 0.406 248 L N 5.942 127.179 121.223 0.024 0.000 2.275 248 L HA 0.595 4.935 4.340 0.000 0.000 0.288 248 L C -0.926 175.945 176.870 0.002 0.000 1.046 248 L CA -0.105 54.730 54.840 -0.009 0.000 0.805 248 L CB 0.943 43.014 42.059 0.019 0.000 1.193 248 L HN 0.466 nan 8.230 nan 0.000 0.426 249 I N 7.073 127.623 120.570 -0.033 0.000 2.321 249 I HA 0.289 4.459 4.170 0.000 0.000 0.291 249 I C -0.210 175.919 176.117 0.020 0.000 0.998 249 I CA -0.202 61.094 61.300 -0.007 0.000 1.227 249 I CB 1.075 39.064 38.000 -0.019 0.000 1.368 249 I HN 0.553 nan 8.210 nan 0.000 0.466 250 I N 5.991 126.584 120.570 0.038 0.000 2.405 250 I HA 0.560 4.730 4.170 0.000 0.000 0.280 250 I C 0.200 176.329 176.117 0.021 0.000 1.027 250 I CA -0.196 61.134 61.300 0.051 0.000 1.161 250 I CB 1.416 39.448 38.000 0.054 0.000 1.300 250 I HN 0.664 nan 8.210 nan 0.000 0.463 251 A N 4.427 127.264 122.820 0.028 0.000 2.486 251 A HA 0.450 4.770 4.320 0.000 0.000 0.289 251 A C 0.875 178.474 177.584 0.025 0.000 1.176 251 A CA -0.544 51.505 52.037 0.020 0.000 0.757 251 A CB 1.475 20.490 19.000 0.025 0.000 1.337 251 A HN 0.720 nan 8.150 nan 0.000 0.423 252 E N -0.513 119.700 120.200 0.022 0.000 2.086 252 E HA -0.203 4.147 4.350 0.000 0.000 0.200 252 E C -0.280 176.347 176.600 0.044 0.000 1.012 252 E CA 1.957 58.375 56.400 0.030 0.000 0.812 252 E CB 0.101 29.818 29.700 0.029 0.000 0.743 252 E HN 0.605 nan 8.360 nan 0.000 0.453 253 D N -2.103 118.324 120.400 0.045 0.000 2.648 253 D HA 0.232 4.872 4.640 0.000 0.000 0.244 253 D C -1.926 174.409 176.300 0.058 0.000 1.244 253 D CA -0.539 53.494 54.000 0.056 0.000 0.772 253 D CB 2.225 43.055 40.800 0.051 0.000 1.379 253 D HN -0.115 nan 8.370 nan 0.000 0.428 254 V N 2.405 122.364 119.914 0.074 0.000 2.409 254 V HA 0.432 4.552 4.120 0.000 0.000 0.290 254 V C 0.002 176.148 176.094 0.087 0.000 1.017 254 V CA -0.610 61.739 62.300 0.081 0.000 0.841 254 V CB 1.468 33.351 31.823 0.100 0.000 1.003 254 V HN 0.417 nan 8.190 nan 0.000 0.426 255 E N 2.325 122.566 120.200 0.068 0.000 2.232 255 E HA 0.569 4.919 4.350 0.000 0.000 0.264 255 E C 1.291 177.925 176.600 0.056 0.000 0.973 255 E CA 0.040 56.476 56.400 0.059 0.000 0.849 255 E CB 1.900 31.627 29.700 0.045 0.000 1.198 255 E HN 0.709 nan 8.360 nan 0.000 0.407 256 G N 1.871 110.700 108.800 0.048 0.000 3.575 256 G HA2 -0.475 3.485 3.960 0.000 0.000 0.292 256 G HA3 -0.475 3.485 3.960 0.000 0.000 0.292 256 G C 1.228 176.151 174.900 0.038 0.000 1.114 256 G CA 1.532 46.655 45.100 0.039 0.000 1.087 256 G HN 0.674 nan 8.290 nan 0.000 1.261 257 E N 0.987 121.207 120.200 0.033 0.000 2.002 257 E HA -0.133 4.218 4.350 0.000 0.000 0.205 257 E C 3.056 179.678 176.600 0.037 0.000 1.020 257 E CA 1.852 58.269 56.400 0.029 0.000 0.856 257 E CB -0.691 29.023 29.700 0.024 0.000 0.788 257 E HN 0.549 nan 8.360 nan 0.000 0.477 258 A N 0.988 123.834 122.820 0.044 0.000 2.019 258 A HA -0.153 4.167 4.320 0.000 0.000 0.219 258 A C 2.192 179.824 177.584 0.080 0.000 1.164 258 A CA 1.284 53.353 52.037 0.053 0.000 0.644 258 A CB -0.570 18.460 19.000 0.049 0.000 0.805 258 A HN 0.354 nan 8.150 nan 0.000 0.449 259 L N 0.019 121.297 121.223 0.091 0.000 1.970 259 L HA -0.106 4.234 4.340 0.000 0.000 0.212 259 L C 2.665 179.596 176.870 0.103 0.000 1.071 259 L CA 2.446 57.364 54.840 0.131 0.000 0.751 259 L CB -0.981 41.151 42.059 0.123 0.000 0.889 259 L HN 0.322 nan 8.230 nan 0.000 0.432 260 A N -1.699 121.154 122.820 0.056 0.000 1.978 260 A HA -0.212 4.108 4.320 0.000 0.000 0.220 260 A C 2.192 179.781 177.584 0.009 0.000 1.170 260 A CA 2.314 54.361 52.037 0.017 0.000 0.636 260 A CB -1.208 17.796 19.000 0.008 0.000 0.810 260 A HN 0.602 nan 8.150 nan 0.000 0.448 261 T N 0.514 115.088 114.554 0.033 0.000 2.732 261 T HA -0.052 4.298 4.350 0.000 0.000 0.261 261 T C 1.845 176.577 174.700 0.053 0.000 1.040 261 T CA 1.352 63.471 62.100 0.030 0.000 1.145 261 T CB -0.440 68.448 68.868 0.034 0.000 0.866 261 T HN 0.381 nan 8.240 nan 0.000 0.427 262 L N 0.931 122.218 121.223 0.105 0.000 1.990 262 L HA -0.137 4.203 4.340 0.000 0.000 0.213 262 L C 2.750 179.728 176.870 0.179 0.000 1.072 262 L CA 1.077 56.025 54.840 0.180 0.000 0.755 262 L CB -1.117 41.114 42.059 0.287 0.000 0.889 262 L HN 0.111 nan 8.230 nan 0.000 0.432 263 V N -0.206 119.759 119.914 0.084 0.000 2.277 263 V HA -0.314 3.806 4.120 0.000 0.000 0.253 263 V C 2.369 178.396 176.094 -0.113 0.000 1.067 263 V CA 2.100 64.319 62.300 -0.135 0.000 1.047 263 V CB -0.435 31.268 31.823 -0.200 0.000 0.649 263 V HN 0.266 nan 8.190 nan 0.000 0.447 264 V N -0.401 119.466 119.914 -0.078 0.000 2.719 264 V HA -0.143 3.977 4.120 0.000 0.000 0.252 264 V C 1.844 177.917 176.094 -0.035 0.000 1.065 264 V CA 1.863 64.113 62.300 -0.084 0.000 1.086 264 V CB -0.842 30.936 31.823 -0.075 0.000 0.700 264 V HN 0.607 nan 8.190 nan 0.000 0.467 265 N N -0.008 118.697 118.700 0.008 0.000 2.422 265 N HA -0.080 4.660 4.740 0.000 0.000 0.181 265 N C 1.867 177.403 175.510 0.044 0.000 1.080 265 N CA 1.127 54.192 53.050 0.026 0.000 0.893 265 N CB 0.270 38.778 38.487 0.035 0.000 0.973 265 N HN 0.646 nan 8.380 nan 0.000 0.456 266 T N -1.811 112.785 114.554 0.071 0.000 3.044 266 T HA 0.066 4.416 4.350 0.000 0.000 0.255 266 T C 1.804 176.529 174.700 0.041 0.000 1.073 266 T CA 0.028 62.179 62.100 0.086 0.000 1.125 266 T CB 0.040 69.016 68.868 0.180 0.000 0.908 266 T HN -0.079 nan 8.240 nan 0.000 0.480 267 M N 1.385 120.984 119.600 -0.002 0.000 2.108 267 M HA 0.100 4.580 4.480 0.000 0.000 0.261 267 M C 2.245 178.526 176.300 -0.032 0.000 1.066 267 M CA 1.614 56.886 55.300 -0.046 0.000 1.107 267 M CB -0.241 32.291 32.600 -0.114 0.000 1.356 267 M HN 0.102 nan 8.290 nan 0.000 0.406 268 R N -0.797 119.690 120.500 -0.021 0.000 2.313 268 R HA 0.196 4.536 4.340 0.000 0.000 0.199 268 R C 0.996 177.295 176.300 -0.001 0.000 0.958 268 R CA 0.612 56.704 56.100 -0.015 0.000 1.047 268 R CB -0.153 30.138 30.300 -0.014 0.000 0.955 268 R HN 0.643 nan 8.270 nan 0.000 0.481 269 G N 1.024 109.830 108.800 0.009 0.000 2.160 269 G HA2 -0.289 3.671 3.960 0.000 0.000 0.251 269 G HA3 -0.289 3.671 3.960 0.000 0.000 0.251 269 G C 0.721 175.633 174.900 0.020 0.000 1.008 269 G CA 0.308 45.419 45.100 0.018 0.000 0.724 269 G HN 0.334 nan 8.290 nan 0.000 0.514 270 I N -0.949 119.634 120.570 0.021 0.000 2.202 270 I HA -0.008 4.162 4.170 0.000 0.000 0.242 270 I C 0.947 177.082 176.117 0.029 0.000 1.091 270 I CA 1.592 62.905 61.300 0.021 0.000 1.368 270 I CB -0.065 37.945 38.000 0.017 0.000 1.058 270 I HN 0.134 nan 8.210 nan 0.000 0.410 271 V N -0.130 119.808 119.914 0.039 0.000 2.932 271 V HA 0.252 4.372 4.120 0.000 0.000 0.307 271 V C -0.790 175.339 176.094 0.058 0.000 1.147 271 V CA -1.165 61.163 62.300 0.047 0.000 0.951 271 V CB 1.903 33.754 31.823 0.047 0.000 1.031 271 V HN -0.029 nan 8.190 nan 0.000 0.426 272 K N 2.495 122.929 120.400 0.056 0.000 2.250 272 K HA 0.595 4.915 4.320 0.000 0.000 0.285 272 K C -0.654 175.978 176.600 0.052 0.000 1.097 272 K CA 0.127 56.451 56.287 0.062 0.000 0.913 272 K CB 0.806 33.335 32.500 0.048 0.000 1.179 272 K HN 0.530 nan 8.250 nan 0.000 0.462 273 V N 1.333 121.287 119.914 0.066 0.000 2.919 273 V HA 0.881 5.001 4.120 0.000 0.000 0.316 273 V C -0.437 175.530 176.094 -0.212 0.000 1.077 273 V CA -1.106 61.182 62.300 -0.020 0.000 0.977 273 V CB 1.924 33.755 31.823 0.015 0.000 1.039 273 V HN 0.715 nan 8.190 nan 0.000 0.441 274 A N 1.831 124.386 122.820 -0.440 0.000 2.549 274 A HA 0.986 5.306 4.320 0.000 0.000 0.297 274 A C -0.833 176.355 177.584 -0.659 0.000 1.061 274 A CA -0.203 51.230 52.037 -1.006 0.000 0.690 274 A CB 1.920 20.602 19.000 -0.530 0.000 1.287 274 A HN 1.666 nan 8.150 nan 0.000 0.402 275 A N 0.566 122.934 122.820 -0.754 0.000 2.393 275 A HA 0.832 5.152 4.320 0.000 0.000 0.306 275 A C -0.495 177.069 177.584 -0.034 0.000 1.050 275 A CA -0.073 51.826 52.037 -0.230 0.000 0.724 275 A CB 1.319 20.262 19.000 -0.094 0.000 1.248 275 A HN 2.325 nan 8.150 nan 0.000 0.424 276 V N -0.395 119.543 119.914 0.040 0.000 2.876 276 V HA 0.612 4.732 4.120 0.000 0.000 0.312 276 V C -0.387 175.782 176.094 0.126 0.000 1.085 276 V CA -1.285 61.078 62.300 0.106 0.000 0.945 276 V CB 1.577 33.475 31.823 0.125 0.000 1.017 276 V HN 0.857 nan 8.190 nan 0.000 0.428 277 K N 2.498 122.974 120.400 0.128 0.000 2.485 277 K HA 0.441 4.761 4.320 0.000 0.000 0.277 277 K C 0.595 177.269 176.600 0.124 0.000 0.990 277 K CA 0.552 56.906 56.287 0.112 0.000 0.994 277 K CB 0.723 33.283 32.500 0.100 0.000 0.906 277 K HN 1.130 nan 8.250 nan 0.000 0.488 278 A N 4.737 127.583 122.820 0.042 0.000 2.483 278 A HA 0.208 4.528 4.320 0.000 0.000 0.238 278 A C -2.052 175.503 177.584 -0.048 0.000 1.070 278 A CA -1.058 50.940 52.037 -0.064 0.000 0.770 278 A CB -0.351 18.603 19.000 -0.077 0.000 1.008 278 A HN 0.430 nan 8.150 nan 0.000 0.497 279 P HA 0.465 nan 4.420 nan 0.000 0.277 279 P C 0.655 177.943 177.300 -0.019 0.000 1.240 279 P CA 1.300 64.368 63.100 -0.053 0.000 0.798 279 P CB 0.706 32.300 31.700 -0.176 0.000 0.979 280 G N 1.263 110.100 108.800 0.062 0.000 2.750 280 G HA2 -0.032 3.928 3.960 0.000 0.000 0.228 280 G HA3 -0.032 3.928 3.960 0.000 0.000 0.228 280 G C -0.830 174.164 174.900 0.158 0.000 1.367 280 G CA -0.001 45.153 45.100 0.089 0.000 0.871 280 G HN 0.719 nan 8.290 nan 0.000 0.560 281 F N -2.179 117.779 119.950 0.013 0.000 2.664 281 F HA 0.807 5.334 4.527 0.000 0.000 0.317 281 F C 1.189 176.997 175.800 0.014 0.000 1.108 281 F CA 0.247 58.255 58.000 0.013 0.000 0.957 281 F CB 0.960 39.971 39.000 0.020 0.000 1.365 281 F HN 2.392 nan 8.300 nan 0.000 0.475 282 G N 1.448 110.287 108.800 0.065 0.000 2.660 282 G HA2 -0.361 3.599 3.960 0.000 0.000 0.321 282 G HA3 -0.361 3.599 3.960 0.000 0.000 0.321 282 G C 0.437 175.270 174.900 -0.111 0.000 1.246 282 G CA 1.008 46.084 45.100 -0.040 0.000 1.000 282 G HN 0.829 nan 8.290 nan 0.000 0.550 283 D N 0.993 121.299 120.400 -0.157 0.000 2.120 283 D HA -0.019 4.621 4.640 0.000 0.000 0.202 283 D C 2.504 178.725 176.300 -0.132 0.000 0.972 283 D CA 1.435 55.368 54.000 -0.112 0.000 0.837 283 D CB -0.420 40.331 40.800 -0.082 0.000 0.989 283 D HN 0.714 nan 8.370 nan 0.000 0.469 284 R N 1.217 121.604 120.500 -0.188 0.000 2.276 284 R HA -0.120 4.220 4.340 0.000 0.000 0.243 284 R C 2.046 178.262 176.300 -0.141 0.000 1.161 284 R CA 1.197 57.197 56.100 -0.165 0.000 1.007 284 R CB -0.289 29.905 30.300 -0.177 0.000 0.867 284 R HN 0.092 nan 8.270 nan 0.000 0.472 285 R N 1.262 121.680 120.500 -0.137 0.000 2.062 285 R HA -0.025 4.315 4.340 0.000 0.000 0.226 285 R C 1.632 177.880 176.300 -0.087 0.000 1.125 285 R CA 1.392 57.434 56.100 -0.097 0.000 0.966 285 R CB -0.049 30.219 30.300 -0.052 0.000 0.861 285 R HN 0.250 nan 8.270 nan 0.000 0.433 286 K N 0.285 120.642 120.400 -0.071 0.000 2.063 286 K HA -0.124 4.196 4.320 0.000 0.000 0.208 286 K C 2.115 178.676 176.600 -0.065 0.000 1.048 286 K CA 1.673 57.925 56.287 -0.058 0.000 0.928 286 K CB -0.182 32.291 32.500 -0.045 0.000 0.713 286 K HN 0.233 nan 8.250 nan 0.000 0.442 287 A N 1.286 124.062 122.820 -0.072 0.000 1.858 287 A HA -0.192 4.128 4.320 0.000 0.000 0.216 287 A C 2.160 179.695 177.584 -0.081 0.000 1.190 287 A CA 1.709 53.704 52.037 -0.070 0.000 0.617 287 A CB -0.523 18.434 19.000 -0.071 0.000 0.827 287 A HN 0.191 nan 8.150 nan 0.000 0.443 288 M N -0.799 118.740 119.600 -0.103 0.000 2.149 288 M HA -0.116 4.364 4.480 0.000 0.000 0.261 288 M C 2.197 178.409 176.300 -0.145 0.000 1.064 288 M CA 1.236 56.459 55.300 -0.128 0.000 1.102 288 M CB -0.520 31.983 32.600 -0.161 0.000 1.369 288 M HN 0.404 nan 8.290 nan 0.000 0.408 289 L N 0.002 121.144 121.223 -0.134 0.000 2.042 289 L HA -0.268 4.072 4.340 0.000 0.000 0.210 289 L C 2.684 179.503 176.870 -0.085 0.000 1.076 289 L CA 1.372 56.138 54.840 -0.123 0.000 0.749 289 L CB -0.390 41.615 42.059 -0.090 0.000 0.893 289 L HN 0.322 nan 8.230 nan 0.000 0.432 290 Q N -0.089 119.671 119.800 -0.068 0.000 2.167 290 Q HA -0.188 4.152 4.340 0.000 0.000 0.202 290 Q C 1.624 177.597 176.000 -0.045 0.000 0.970 290 Q CA 1.561 57.336 55.803 -0.048 0.000 0.855 290 Q CB -0.104 28.609 28.738 -0.041 0.000 0.911 290 Q HN 0.424 nan 8.270 nan 0.000 0.438 291 D N -0.277 120.087 120.400 -0.059 0.000 2.097 291 D HA -0.125 4.515 4.640 0.000 0.000 0.195 291 D C 1.858 178.134 176.300 -0.040 0.000 0.989 291 D CA 1.272 55.243 54.000 -0.048 0.000 0.827 291 D CB -0.204 40.561 40.800 -0.057 0.000 0.966 291 D HN 0.343 nan 8.370 nan 0.000 0.456 292 I N 1.283 121.816 120.570 -0.061 0.000 2.208 292 I HA -0.274 3.896 4.170 0.000 0.000 0.245 292 I C 2.496 178.605 176.117 -0.013 0.000 1.097 292 I CA 1.058 62.336 61.300 -0.038 0.000 1.363 292 I CB -0.269 37.680 38.000 -0.084 0.000 1.051 292 I HN -0.078 nan 8.210 nan 0.000 0.413 293 A N 0.570 123.377 122.820 -0.022 0.000 1.865 293 A HA -0.246 4.074 4.320 0.000 0.000 0.217 293 A C 2.406 179.990 177.584 0.000 0.000 1.191 293 A CA 2.699 54.732 52.037 -0.007 0.000 0.623 293 A CB -1.255 17.736 19.000 -0.014 0.000 0.826 293 A HN 0.399 nan 8.150 nan 0.000 0.444 294 T N 0.321 114.871 114.554 -0.006 0.000 2.720 294 T HA -0.130 4.220 4.350 0.000 0.000 0.268 294 T C 1.817 176.519 174.700 0.003 0.000 1.037 294 T CA 1.272 63.370 62.100 -0.003 0.000 1.144 294 T CB -0.377 68.487 68.868 -0.008 0.000 0.864 294 T HN 0.337 nan 8.240 nan 0.000 0.444 295 L N 1.294 122.519 121.223 0.005 0.000 2.042 295 L HA -0.130 4.210 4.340 0.000 0.000 0.210 295 L C 2.429 179.308 176.870 0.016 0.000 1.076 295 L CA 2.050 56.897 54.840 0.011 0.000 0.749 295 L CB -0.624 41.446 42.059 0.018 0.000 0.893 295 L HN 0.489 nan 8.230 nan 0.000 0.432 296 T N -4.766 109.800 114.554 0.020 0.000 3.054 296 T HA 0.264 4.614 4.350 0.000 0.000 0.255 296 T C 1.096 175.814 174.700 0.031 0.000 1.035 296 T CA 0.325 62.440 62.100 0.026 0.000 0.941 296 T CB 0.465 69.356 68.868 0.037 0.000 1.026 296 T HN 0.462 nan 8.240 nan 0.000 0.533 297 G N 0.559 109.373 108.800 0.024 0.000 2.272 297 G HA2 0.065 4.025 3.960 0.000 0.000 0.280 297 G HA3 0.065 4.025 3.960 0.000 0.000 0.280 297 G C 0.304 175.226 174.900 0.036 0.000 1.067 297 G CA -0.190 44.926 45.100 0.027 0.000 0.902 297 G HN 1.042 nan 8.290 nan 0.000 0.500 298 G N -1.525 107.293 108.800 0.031 0.000 2.597 298 G HA2 0.829 4.789 3.960 0.000 0.000 0.317 298 G HA3 0.829 4.789 3.960 0.000 0.000 0.317 298 G C -0.399 174.510 174.900 0.015 0.000 1.230 298 G CA 0.113 45.232 45.100 0.032 0.000 0.996 298 G HN 0.672 nan 8.290 nan 0.000 0.490 299 T N 0.093 114.653 114.554 0.010 0.000 2.824 299 T HA 0.449 4.799 4.350 0.000 0.000 0.282 299 T C -0.059 174.639 174.700 -0.004 0.000 0.993 299 T CA -0.339 61.761 62.100 0.000 0.000 0.967 299 T CB 1.780 70.647 68.868 -0.002 0.000 0.960 299 T HN 0.361 nan 8.240 nan 0.000 0.441 300 V N 4.224 124.132 119.914 -0.010 0.000 2.555 300 V HA 0.257 4.377 4.120 0.000 0.000 0.286 300 V C 0.365 176.452 176.094 -0.012 0.000 1.044 300 V CA -0.391 61.900 62.300 -0.014 0.000 1.026 300 V CB 0.244 32.054 31.823 -0.021 0.000 0.981 300 V HN 0.772 nan 8.190 nan 0.000 0.480 301 I N 5.300 125.863 120.570 -0.011 0.000 2.282 301 I HA 0.263 4.433 4.170 0.000 0.000 0.290 301 I C 0.336 176.448 176.117 -0.008 0.000 1.090 301 I CA 0.176 61.471 61.300 -0.009 0.000 1.231 301 I CB 0.532 38.527 38.000 -0.009 0.000 1.434 301 I HN 0.701 nan 8.210 nan 0.000 0.487 302 S N 2.839 118.534 115.700 -0.008 0.000 2.454 302 S HA 0.379 4.849 4.470 0.000 0.000 0.306 302 S C 0.431 175.028 174.600 -0.005 0.000 1.100 302 S CA -0.903 57.293 58.200 -0.007 0.000 1.087 302 S CB 1.780 64.975 63.200 -0.009 0.000 1.019 302 S HN 0.596 nan 8.310 nan 0.000 0.480 303 E N 1.543 121.742 120.200 -0.002 0.000 2.482 303 E HA -0.085 4.265 4.350 0.000 0.000 0.196 303 E C 0.930 177.530 176.600 -0.001 0.000 1.047 303 E CA 0.588 56.988 56.400 -0.001 0.000 0.869 303 E CB -0.192 29.509 29.700 0.001 0.000 0.836 303 E HN 0.855 nan 8.360 nan 0.000 0.520 304 E N 1.054 121.253 120.200 -0.002 0.000 2.204 304 E HA -0.090 4.260 4.350 0.000 0.000 0.194 304 E C 1.540 178.138 176.600 -0.003 0.000 0.989 304 E CA 0.708 57.107 56.400 -0.002 0.000 0.824 304 E CB -0.106 29.593 29.700 -0.002 0.000 0.756 304 E HN 0.339 nan 8.360 nan 0.000 0.477 305 I N 0.590 121.157 120.570 -0.004 0.000 3.684 305 I HA 0.107 4.277 4.170 0.000 0.000 0.304 305 I C 1.117 177.231 176.117 -0.004 0.000 1.278 305 I CA 0.275 61.572 61.300 -0.005 0.000 1.272 305 I CB -0.213 37.783 38.000 -0.006 0.000 1.029 305 I HN 0.251 nan 8.210 nan 0.000 0.458 306 G N 1.700 110.498 108.800 -0.003 0.000 2.153 306 G HA2 -0.291 3.669 3.960 0.000 0.000 0.252 306 G HA3 -0.291 3.669 3.960 0.000 0.000 0.252 306 G C 0.223 175.121 174.900 -0.004 0.000 0.994 306 G CA -0.052 45.047 45.100 -0.003 0.000 0.698 306 G HN 0.360 nan 8.290 nan 0.000 0.521 307 M N 0.198 119.795 119.600 -0.005 0.000 2.274 307 M HA 0.590 5.071 4.480 0.000 0.000 0.344 307 M C 0.321 176.618 176.300 -0.005 0.000 1.161 307 M CA -0.065 55.231 55.300 -0.006 0.000 1.126 307 M CB 0.955 33.551 32.600 -0.007 0.000 1.522 307 M HN 0.247 nan 8.290 nan 0.000 0.461 308 E N 1.460 121.656 120.200 -0.006 0.000 2.235 308 E HA 0.355 4.705 4.350 0.000 0.000 0.265 308 E C 0.154 176.749 176.600 -0.008 0.000 0.940 308 E CA -0.732 55.664 56.400 -0.006 0.000 0.819 308 E CB 2.084 31.781 29.700 -0.005 0.000 1.206 308 E HN 0.650 nan 8.360 nan 0.000 0.409 309 L N 1.163 122.382 121.223 -0.007 0.000 2.291 309 L HA -0.140 4.200 4.340 0.000 0.000 0.214 309 L C 1.575 178.437 176.870 -0.014 0.000 1.120 309 L CA 1.082 55.916 54.840 -0.010 0.000 0.799 309 L CB -0.133 41.922 42.059 -0.005 0.000 0.925 309 L HN 0.588 nan 8.230 nan 0.000 0.446 310 E N 0.298 120.491 120.200 -0.011 0.000 2.072 310 E HA -0.137 4.213 4.350 0.000 0.000 0.191 310 E C 1.061 177.651 176.600 -0.017 0.000 0.985 310 E CA 0.938 57.330 56.400 -0.013 0.000 0.801 310 E CB 0.041 29.736 29.700 -0.009 0.000 0.750 310 E HN 0.220 nan 8.360 nan 0.000 0.452 311 K N 0.605 120.995 120.400 -0.015 0.000 3.226 311 K HA 0.357 4.677 4.320 0.000 0.000 0.268 311 K C -0.761 175.826 176.600 -0.022 0.000 1.217 311 K CA -0.165 56.112 56.287 -0.017 0.000 1.242 311 K CB 0.532 33.025 32.500 -0.013 0.000 1.389 311 K HN -0.015 nan 8.250 nan 0.000 0.406 312 A N 1.212 124.015 122.820 -0.028 0.000 2.335 312 A HA 0.363 4.683 4.320 0.000 0.000 0.304 312 A C 0.208 177.759 177.584 -0.054 0.000 1.118 312 A CA -0.676 51.339 52.037 -0.037 0.000 0.757 312 A CB 0.751 19.731 19.000 -0.034 0.000 1.188 312 A HN 0.282 nan 8.150 nan 0.000 0.460 313 T N -0.027 114.491 114.554 -0.060 0.000 2.880 313 T HA 0.516 4.866 4.350 0.000 0.000 0.279 313 T C 1.240 175.862 174.700 -0.131 0.000 0.990 313 T CA -0.614 61.436 62.100 -0.083 0.000 0.938 313 T CB 0.256 69.088 68.868 -0.061 0.000 1.206 313 T HN 0.331 nan 8.240 nan 0.000 0.573 314 L N -0.130 120.984 121.223 -0.181 0.000 2.131 314 L HA -0.035 4.305 4.340 0.000 0.000 0.210 314 L C 2.979 179.749 176.870 -0.167 0.000 1.092 314 L CA 1.547 56.198 54.840 -0.314 0.000 0.759 314 L CB -0.634 41.215 42.059 -0.350 0.000 0.903 314 L HN 0.853 nan 8.230 nan 0.000 0.435 315 E N 0.276 120.431 120.200 -0.075 0.000 2.160 315 E HA -0.247 4.103 4.350 0.000 0.000 0.195 315 E C 1.507 178.104 176.600 -0.006 0.000 0.991 315 E CA 1.320 57.710 56.400 -0.016 0.000 0.810 315 E CB 0.142 29.835 29.700 -0.012 0.000 0.742 315 E HN 0.448 nan 8.360 nan 0.000 0.466 316 D N -0.144 120.239 120.400 -0.029 0.000 2.269 316 D HA -0.078 4.562 4.640 0.000 0.000 0.208 316 D C 0.003 176.306 176.300 0.005 0.000 0.963 316 D CA 0.407 54.398 54.000 -0.014 0.000 0.864 316 D CB 0.112 40.896 40.800 -0.027 0.000 0.936 316 D HN 0.129 nan 8.370 nan 0.000 0.505 317 L N 0.890 122.115 121.223 0.004 0.000 2.349 317 L HA 0.312 4.652 4.340 0.000 0.000 0.275 317 L C 1.313 178.278 176.870 0.158 0.000 1.115 317 L CA -0.210 54.670 54.840 0.066 0.000 0.820 317 L CB 1.029 43.095 42.059 0.012 0.000 1.135 317 L HN -0.180 nan 8.230 nan 0.000 0.445 318 G N 2.005 110.886 108.800 0.136 0.000 2.562 318 G HA2 0.479 4.439 3.960 0.000 0.000 0.275 318 G HA3 0.479 4.439 3.960 0.000 0.000 0.275 318 G C -0.820 174.168 174.900 0.147 0.000 1.196 318 G CA -0.217 44.954 45.100 0.118 0.000 0.908 318 G HN 0.568 nan 8.290 nan 0.000 0.524 319 Q N -1.571 118.266 119.800 0.061 0.000 2.501 319 Q HA 0.641 4.981 4.340 0.000 0.000 0.288 319 Q C -1.124 174.857 176.000 -0.033 0.000 1.051 319 Q CA -0.829 54.957 55.803 -0.029 0.000 0.788 319 Q CB 2.403 31.065 28.738 -0.127 0.000 1.469 319 Q HN 0.981 nan 8.270 nan 0.000 0.416 320 A N 1.259 124.042 122.820 -0.062 0.000 2.604 320 A HA 0.368 4.688 4.320 0.000 0.000 0.295 320 A C -0.628 176.921 177.584 -0.058 0.000 1.067 320 A CA -0.616 51.397 52.037 -0.040 0.000 0.683 320 A CB 1.463 20.456 19.000 -0.011 0.000 1.281 320 A HN 0.776 nan 8.150 nan 0.000 0.407 321 K N -0.299 120.075 120.400 -0.043 0.000 2.211 321 K HA -0.005 4.315 4.320 0.000 0.000 0.203 321 K C 0.554 177.132 176.600 -0.037 0.000 1.050 321 K CA 1.161 57.421 56.287 -0.044 0.000 0.945 321 K CB 0.120 32.600 32.500 -0.032 0.000 0.732 321 K HN 0.525 nan 8.250 nan 0.000 0.451 322 R N -0.245 120.238 120.500 -0.027 0.000 2.604 322 R HA 0.188 4.528 4.340 0.000 0.000 0.261 322 R C -1.875 174.416 176.300 -0.014 0.000 1.080 322 R CA -0.493 55.595 56.100 -0.020 0.000 0.917 322 R CB 2.095 32.385 30.300 -0.015 0.000 1.252 322 R HN -0.029 nan 8.270 nan 0.000 0.456 323 V N -0.005 119.901 119.914 -0.013 0.000 2.925 323 V HA 0.884 5.004 4.120 0.000 0.000 0.311 323 V C -1.484 174.601 176.094 -0.016 0.000 1.104 323 V CA -0.622 61.668 62.300 -0.016 0.000 0.954 323 V CB 2.375 34.192 31.823 -0.010 0.000 1.022 323 V HN 0.421 nan 8.190 nan 0.000 0.427 324 V N 5.548 125.444 119.914 -0.029 0.000 2.569 324 V HA 0.590 4.710 4.120 0.000 0.000 0.301 324 V C -0.450 175.622 176.094 -0.036 0.000 1.044 324 V CA -0.333 61.958 62.300 -0.017 0.000 0.874 324 V CB 1.637 33.453 31.823 -0.012 0.000 1.002 324 V HN 0.988 nan 8.190 nan 0.000 0.424 325 I N 1.234 121.809 120.570 0.008 0.000 2.509 325 I HA 0.698 4.868 4.170 0.000 0.000 0.293 325 I C -0.613 175.558 176.117 0.091 0.000 1.020 325 I CA -0.573 60.734 61.300 0.011 0.000 1.088 325 I CB 2.152 40.175 38.000 0.039 0.000 1.267 325 I HN 0.400 nan 8.210 nan 0.000 0.430 326 N N 3.467 122.146 118.700 -0.034 0.000 2.604 326 N HA 0.297 5.037 4.740 0.000 0.000 0.297 326 N C 0.808 176.044 175.510 -0.456 0.000 1.266 326 N CA -0.669 52.334 53.050 -0.079 0.000 0.961 326 N CB 1.615 40.029 38.487 -0.122 0.000 1.166 326 N HN 0.627 nan 8.380 nan 0.000 0.601 327 K N -0.204 119.932 120.400 -0.441 0.000 2.113 327 K HA -0.187 4.133 4.320 0.000 0.000 0.208 327 K C -0.600 175.705 176.600 -0.491 0.000 1.047 327 K CA 2.031 57.924 56.287 -0.657 0.000 0.928 327 K CB -0.001 32.368 32.500 -0.219 0.000 0.716 327 K HN 0.627 nan 8.250 nan 0.000 0.446 328 D N -1.626 118.596 120.400 -0.296 0.000 2.822 328 D HA 0.125 4.765 4.640 0.000 0.000 0.327 328 D C -0.765 175.437 176.300 -0.163 0.000 1.577 328 D CA -0.432 53.450 54.000 -0.197 0.000 0.785 328 D CB 0.855 41.581 40.800 -0.125 0.000 1.199 328 D HN -0.172 nan 8.370 nan 0.000 0.443 329 T N -0.506 113.927 114.554 -0.201 0.000 2.932 329 T HA 0.608 4.958 4.350 0.000 0.000 0.318 329 T C -1.437 173.089 174.700 -0.290 0.000 1.265 329 T CA -0.346 61.623 62.100 -0.217 0.000 1.036 329 T CB 2.057 70.826 68.868 -0.164 0.000 1.209 329 T HN -0.079 nan 8.240 nan 0.000 0.484 330 T N 2.155 116.412 114.554 -0.496 0.000 2.879 330 T HA 0.662 5.012 4.350 0.000 0.000 0.290 330 T C -0.712 173.656 174.700 -0.553 0.000 0.993 330 T CA -0.589 61.154 62.100 -0.593 0.000 0.975 330 T CB 1.504 69.763 68.868 -1.015 0.000 0.981 330 T HN 0.685 nan 8.240 nan 0.000 0.439 331 T N 2.884 117.271 114.554 -0.278 0.000 2.881 331 T HA 0.680 5.030 4.350 0.000 0.000 0.291 331 T C -0.708 173.948 174.700 -0.073 0.000 0.990 331 T CA -0.688 61.318 62.100 -0.157 0.000 0.976 331 T CB 0.241 69.049 68.868 -0.099 0.000 0.970 331 T HN 0.468 nan 8.240 nan 0.000 0.438 332 I N 5.454 126.015 120.570 -0.015 0.000 2.304 332 I HA 0.442 4.613 4.170 0.000 0.000 0.291 332 I C -0.383 175.743 176.117 0.015 0.000 1.018 332 I CA -0.821 60.492 61.300 0.022 0.000 1.260 332 I CB 1.186 39.234 38.000 0.079 0.000 1.390 332 I HN 0.600 nan 8.210 nan 0.000 0.475 333 I N 5.946 126.518 120.570 0.004 0.000 2.362 333 I HA 0.310 4.480 4.170 0.000 0.000 0.289 333 I C -0.539 175.576 176.117 -0.003 0.000 0.994 333 I CA -0.458 60.842 61.300 0.000 0.000 1.158 333 I CB 1.287 39.284 38.000 -0.005 0.000 1.315 333 I HN 0.509 nan 8.210 nan 0.000 0.451 334 D N 4.851 125.251 120.400 -0.001 0.000 3.515 334 D HA -0.109 4.531 4.640 0.000 0.000 0.247 334 D C 0.047 176.343 176.300 -0.006 0.000 1.084 334 D CA 0.823 54.820 54.000 -0.005 0.000 1.030 334 D CB -0.242 40.552 40.800 -0.011 0.000 0.946 334 D HN 0.842 nan 8.370 nan 0.000 0.420 335 G N 0.645 109.446 108.800 0.001 0.000 2.370 335 G HA2 0.411 4.371 3.960 0.000 0.000 0.272 335 G HA3 0.411 4.371 3.960 0.000 0.000 0.272 335 G C 1.449 176.349 174.900 -0.000 0.000 1.208 335 G CA -0.422 44.680 45.100 0.004 0.000 0.856 335 G HN 0.288 nan 8.290 nan 0.000 0.500 336 V N 2.908 122.820 119.914 -0.003 0.000 2.720 336 V HA -0.046 4.074 4.120 0.000 0.000 0.256 336 V C 2.248 178.345 176.094 0.004 0.000 1.082 336 V CA 1.075 63.373 62.300 -0.004 0.000 1.101 336 V CB -1.308 30.512 31.823 -0.006 0.000 0.693 336 V HN 0.823 nan 8.190 nan 0.000 0.479 337 G N 0.807 109.612 108.800 0.009 0.000 2.257 337 G HA2 -0.019 3.941 3.960 0.000 0.000 0.235 337 G HA3 -0.019 3.941 3.960 0.000 0.000 0.235 337 G C -0.064 174.840 174.900 0.005 0.000 1.225 337 G CA -0.145 44.960 45.100 0.009 0.000 0.878 337 G HN 0.537 nan 8.290 nan 0.000 0.505 338 E N 1.387 121.590 120.200 0.005 0.000 2.354 338 E HA 0.034 4.384 4.350 0.000 0.000 0.269 338 E C 1.028 177.629 176.600 0.002 0.000 1.036 338 E CA -0.364 56.038 56.400 0.003 0.000 0.876 338 E CB 1.077 30.779 29.700 0.004 0.000 1.009 338 E HN 0.614 nan 8.360 nan 0.000 0.416 339 E N 1.932 122.132 120.200 0.001 0.000 2.130 339 E HA -0.281 4.069 4.350 0.000 0.000 0.196 339 E C 1.850 178.450 176.600 -0.001 0.000 0.998 339 E CA 1.373 57.773 56.400 -0.000 0.000 0.806 339 E CB -0.155 29.544 29.700 -0.000 0.000 0.738 339 E HN 0.602 nan 8.360 nan 0.000 0.459 340 A N 1.772 124.592 122.820 -0.000 0.000 1.877 340 A HA -0.098 4.222 4.320 0.000 0.000 0.216 340 A C 2.481 180.064 177.584 -0.002 0.000 1.186 340 A CA 2.031 54.067 52.037 -0.001 0.000 0.620 340 A CB -0.620 18.380 19.000 -0.001 0.000 0.822 340 A HN 0.295 nan 8.150 nan 0.000 0.443 341 A N -0.346 122.473 122.820 -0.001 0.000 1.902 341 A HA -0.053 4.267 4.320 0.000 0.000 0.217 341 A C 2.122 179.704 177.584 -0.003 0.000 1.181 341 A CA 1.534 53.570 52.037 -0.002 0.000 0.623 341 A CB -0.589 18.410 19.000 -0.000 0.000 0.818 341 A HN 0.475 nan 8.150 nan 0.000 0.443 342 I N -0.841 119.728 120.570 -0.002 0.000 2.226 342 I HA -0.251 3.919 4.170 0.000 0.000 0.245 342 I C 2.749 178.863 176.117 -0.005 0.000 1.100 342 I CA 1.207 62.506 61.300 -0.003 0.000 1.374 342 I CB -0.193 37.806 38.000 -0.001 0.000 1.057 342 I HN 0.243 nan 8.210 nan 0.000 0.413 343 Q N 0.630 120.427 119.800 -0.004 0.000 2.050 343 Q HA -0.138 4.202 4.340 0.000 0.000 0.202 343 Q C 2.314 178.311 176.000 -0.006 0.000 0.980 343 Q CA 1.903 57.703 55.803 -0.005 0.000 0.840 343 Q CB -1.019 27.716 28.738 -0.004 0.000 0.898 343 Q HN 0.562 nan 8.270 nan 0.000 0.424 344 G N 0.060 108.857 108.800 -0.006 0.000 2.442 344 G HA2 -0.316 3.644 3.960 0.000 0.000 0.219 344 G HA3 -0.316 3.644 3.960 0.000 0.000 0.219 344 G C 1.643 176.537 174.900 -0.009 0.000 1.141 344 G CA 1.002 46.098 45.100 -0.007 0.000 0.763 344 G HN 0.331 nan 8.290 nan 0.000 0.554 345 R N -0.234 120.260 120.500 -0.010 0.000 2.115 345 R HA 0.053 4.393 4.340 0.000 0.000 0.230 345 R C 2.529 178.820 176.300 -0.015 0.000 1.111 345 R CA 1.087 57.179 56.100 -0.013 0.000 0.976 345 R CB -0.404 29.888 30.300 -0.014 0.000 0.870 345 R HN 0.229 nan 8.270 nan 0.000 0.445 346 V N 0.504 120.410 119.914 -0.012 0.000 2.323 346 V HA -0.139 3.981 4.120 0.000 0.000 0.244 346 V C 2.310 178.396 176.094 -0.013 0.000 1.041 346 V CA 1.831 64.123 62.300 -0.013 0.000 1.025 346 V CB -0.683 31.134 31.823 -0.010 0.000 0.656 346 V HN 0.540 nan 8.190 nan 0.000 0.451 347 A N -1.175 121.638 122.820 -0.011 0.000 1.940 347 A HA -0.311 4.009 4.320 0.000 0.000 0.219 347 A C 2.199 179.776 177.584 -0.012 0.000 1.176 347 A CA 2.110 54.140 52.037 -0.010 0.000 0.631 347 A CB -0.504 18.491 19.000 -0.008 0.000 0.814 347 A HN 0.607 nan 8.150 nan 0.000 0.446 348 Q N -0.660 119.132 119.800 -0.013 0.000 2.020 348 Q HA -0.129 4.211 4.340 0.000 0.000 0.202 348 Q C 2.070 178.060 176.000 -0.017 0.000 0.982 348 Q CA 1.694 57.488 55.803 -0.014 0.000 0.838 348 Q CB -0.230 28.499 28.738 -0.015 0.000 0.899 348 Q HN 0.764 nan 8.270 nan 0.000 0.423 349 I N -0.163 120.395 120.570 -0.020 0.000 2.315 349 I HA -0.257 3.913 4.170 0.000 0.000 0.248 349 I C 2.413 178.516 176.117 -0.023 0.000 1.117 349 I CA 0.875 62.160 61.300 -0.025 0.000 1.404 349 I CB -0.214 37.768 38.000 -0.029 0.000 1.071 349 I HN 0.120 nan 8.210 nan 0.000 0.419 350 R N 0.325 120.813 120.500 -0.019 0.000 2.193 350 R HA -0.157 4.183 4.340 0.000 0.000 0.229 350 R C 2.261 178.551 176.300 -0.016 0.000 1.110 350 R CA 1.055 57.145 56.100 -0.017 0.000 0.988 350 R CB 0.048 30.339 30.300 -0.014 0.000 0.871 350 R HN 0.421 nan 8.270 nan 0.000 0.458 351 Q N -0.447 119.344 119.800 -0.015 0.000 2.204 351 Q HA -0.077 4.263 4.340 0.000 0.000 0.198 351 Q C 1.859 177.850 176.000 -0.014 0.000 0.946 351 Q CA 0.821 56.617 55.803 -0.013 0.000 0.859 351 Q CB 0.389 29.120 28.738 -0.012 0.000 0.946 351 Q HN 0.533 nan 8.270 nan 0.000 0.474 352 Q N 0.312 120.101 119.800 -0.017 0.000 2.170 352 Q HA -0.098 4.242 4.340 0.000 0.000 0.203 352 Q C 2.043 178.032 176.000 -0.018 0.000 0.976 352 Q CA 0.863 56.655 55.803 -0.018 0.000 0.858 352 Q CB -0.212 28.512 28.738 -0.023 0.000 0.907 352 Q HN 0.385 nan 8.270 nan 0.000 0.433 353 I N 1.372 121.929 120.570 -0.021 0.000 2.335 353 I HA -0.238 3.932 4.170 0.000 0.000 0.251 353 I C 1.983 178.092 176.117 -0.014 0.000 1.129 353 I CA 0.940 62.228 61.300 -0.021 0.000 1.402 353 I CB -0.181 37.805 38.000 -0.022 0.000 1.069 353 I HN 0.126 nan 8.210 nan 0.000 0.424 354 E N 0.937 121.130 120.200 -0.012 0.000 2.208 354 E HA -0.170 4.180 4.350 0.000 0.000 0.193 354 E C 1.410 178.007 176.600 -0.006 0.000 0.988 354 E CA 1.075 57.470 56.400 -0.008 0.000 0.828 354 E CB -0.097 29.598 29.700 -0.008 0.000 0.763 354 E HN 0.631 nan 8.360 nan 0.000 0.478 355 E N -0.262 119.934 120.200 -0.007 0.000 2.562 355 E HA 0.319 4.669 4.350 0.000 0.000 0.214 355 E C 0.058 176.657 176.600 -0.002 0.000 0.979 355 E CA 0.032 56.429 56.400 -0.004 0.000 1.002 355 E CB 0.853 30.550 29.700 -0.004 0.000 1.048 355 E HN 0.035 nan 8.360 nan 0.000 0.488 356 A N 1.667 124.485 122.820 -0.004 0.000 2.566 356 A HA 0.094 4.414 4.320 0.000 0.000 0.245 356 A C 1.094 178.682 177.584 0.008 0.000 1.056 356 A CA 0.479 52.517 52.037 0.001 0.000 0.757 356 A CB -0.142 18.855 19.000 -0.005 0.000 0.979 356 A HN 0.251 nan 8.150 nan 0.000 0.508 357 T N -0.502 114.060 114.554 0.014 0.000 3.176 357 T HA 0.435 4.785 4.350 0.000 0.000 0.263 357 T C 0.293 175.008 174.700 0.024 0.000 1.021 357 T CA 0.317 62.426 62.100 0.016 0.000 0.905 357 T CB -0.420 68.456 68.868 0.013 0.000 1.057 357 T HN 1.143 nan 8.240 nan 0.000 0.558 358 S N -0.446 115.275 115.700 0.034 0.000 2.536 358 S HA 0.333 4.803 4.470 0.000 0.000 0.271 358 S C -0.026 174.610 174.600 0.060 0.000 1.134 358 S CA -0.600 57.632 58.200 0.053 0.000 0.897 358 S CB 1.735 64.981 63.200 0.076 0.000 1.094 358 S HN -0.009 nan 8.310 nan 0.000 0.473 359 D N 1.751 122.191 120.400 0.066 0.000 2.106 359 D HA -0.154 4.486 4.640 0.000 0.000 0.191 359 D C 1.370 177.717 176.300 0.078 0.000 0.997 359 D CA 1.976 56.013 54.000 0.062 0.000 0.834 359 D CB -0.297 40.545 40.800 0.070 0.000 0.956 359 D HN 0.741 nan 8.370 nan 0.000 0.448 360 Y N 2.117 122.416 120.300 -0.001 0.000 2.128 360 Y HA -0.219 4.331 4.550 0.000 0.000 0.284 360 Y C 1.979 177.874 175.900 -0.009 0.000 1.154 360 Y CA 1.872 59.971 58.100 -0.001 0.000 1.149 360 Y CB -0.183 38.279 38.460 0.003 0.000 0.976 360 Y HN -0.074 nan 8.280 nan 0.000 0.505 361 D N -0.243 120.193 120.400 0.061 0.000 2.149 361 D HA -0.198 4.442 4.640 0.000 0.000 0.198 361 D C 2.257 178.494 176.300 -0.105 0.000 0.990 361 D CA 1.316 55.295 54.000 -0.035 0.000 0.839 361 D CB -0.302 40.517 40.800 0.033 0.000 0.948 361 D HN 0.402 nan 8.370 nan 0.000 0.460 362 R N 0.766 121.227 120.500 -0.066 0.000 2.082 362 R HA -0.132 4.208 4.340 0.000 0.000 0.234 362 R C 2.330 178.571 176.300 -0.099 0.000 1.136 362 R CA 1.354 57.416 56.100 -0.063 0.000 0.935 362 R CB -0.011 30.270 30.300 -0.031 0.000 0.842 362 R HN 0.280 nan 8.270 nan 0.000 0.430 363 E N 0.406 120.531 120.200 -0.126 0.000 2.070 363 E HA -0.235 4.115 4.350 0.000 0.000 0.197 363 E C 1.926 178.414 176.600 -0.187 0.000 1.004 363 E CA 0.964 57.279 56.400 -0.141 0.000 0.805 363 E CB -0.132 29.485 29.700 -0.137 0.000 0.744 363 E HN 0.106 nan 8.360 nan 0.000 0.451 364 K N 0.876 121.095 120.400 -0.302 0.000 2.147 364 K HA -0.038 4.282 4.320 0.000 0.000 0.205 364 K C 2.237 178.736 176.600 -0.168 0.000 1.049 364 K CA 0.716 56.829 56.287 -0.291 0.000 0.936 364 K CB -0.379 31.865 32.500 -0.427 0.000 0.722 364 K HN 0.186 nan 8.250 nan 0.000 0.446 365 L N 0.188 121.329 121.223 -0.136 0.000 2.068 365 L HA -0.123 4.217 4.340 0.000 0.000 0.204 365 L C 2.474 179.302 176.870 -0.070 0.000 1.076 365 L CA 1.010 55.797 54.840 -0.089 0.000 0.753 365 L CB -0.403 41.614 42.059 -0.071 0.000 0.910 365 L HN 0.132 nan 8.230 nan 0.000 0.439 366 Q N 0.052 119.811 119.800 -0.068 0.000 2.152 366 Q HA -0.278 4.062 4.340 0.000 0.000 0.206 366 Q C 2.100 178.071 176.000 -0.048 0.000 0.985 366 Q CA 1.834 57.606 55.803 -0.051 0.000 0.863 366 Q CB -0.061 28.649 28.738 -0.047 0.000 0.904 366 Q HN 0.483 nan 8.270 nan 0.000 0.422 367 E N -0.357 119.806 120.200 -0.061 0.000 2.150 367 E HA -0.141 4.209 4.350 0.000 0.000 0.193 367 E C 1.996 178.573 176.600 -0.038 0.000 0.985 367 E CA 0.573 56.944 56.400 -0.048 0.000 0.814 367 E CB 0.115 29.779 29.700 -0.061 0.000 0.752 367 E HN 0.240 nan 8.360 nan 0.000 0.466 368 R N 0.305 120.776 120.500 -0.048 0.000 2.075 368 R HA -0.083 4.257 4.340 0.000 0.000 0.226 368 R C 2.662 178.945 176.300 -0.029 0.000 1.114 368 R CA 1.340 57.416 56.100 -0.041 0.000 0.972 368 R CB -0.354 29.913 30.300 -0.054 0.000 0.869 368 R HN 0.179 nan 8.270 nan 0.000 0.437 369 V N -1.232 118.664 119.914 -0.030 0.000 2.295 369 V HA -0.118 4.002 4.120 0.000 0.000 0.246 369 V C 2.404 178.489 176.094 -0.015 0.000 1.049 369 V CA 1.730 64.017 62.300 -0.022 0.000 1.024 369 V CB -1.224 30.586 31.823 -0.022 0.000 0.648 369 V HN 0.218 nan 8.190 nan 0.000 0.447 370 A N 0.712 123.523 122.820 -0.016 0.000 1.927 370 A HA -0.289 4.031 4.320 0.000 0.000 0.220 370 A C 2.334 179.917 177.584 -0.002 0.000 1.185 370 A CA 2.708 54.739 52.037 -0.009 0.000 0.639 370 A CB -0.664 18.330 19.000 -0.011 0.000 0.820 370 A HN 0.665 nan 8.150 nan 0.000 0.451 371 K N -1.310 119.091 120.400 0.001 0.000 1.984 371 K HA -0.028 4.292 4.320 0.000 0.000 0.209 371 K C 1.948 178.556 176.600 0.014 0.000 1.046 371 K CA 1.174 57.470 56.287 0.015 0.000 0.934 371 K CB -0.377 32.139 32.500 0.026 0.000 0.717 371 K HN 0.299 nan 8.250 nan 0.000 0.438 372 L N 0.997 122.223 121.223 0.005 0.000 1.989 372 L HA -0.148 4.192 4.340 0.000 0.000 0.211 372 L C 2.056 178.928 176.870 0.002 0.000 1.071 372 L CA 1.966 56.808 54.840 0.003 0.000 0.749 372 L CB -0.923 41.133 42.059 -0.006 0.000 0.890 372 L HN 0.196 nan 8.230 nan 0.000 0.431 373 A N -1.753 121.066 122.820 -0.002 0.000 2.251 373 A HA 0.257 4.577 4.320 0.000 0.000 0.209 373 A C 2.116 179.700 177.584 -0.000 0.000 1.187 373 A CA 0.743 52.779 52.037 -0.002 0.000 0.823 373 A CB -0.780 18.217 19.000 -0.005 0.000 0.846 373 A HN 0.464 nan 8.150 nan 0.000 0.486 374 G N -0.788 108.013 108.800 0.002 0.000 2.539 374 G HA2 0.390 4.350 3.960 0.000 0.000 0.215 374 G HA3 0.390 4.350 3.960 0.000 0.000 0.215 374 G C 1.098 176.000 174.900 0.004 0.000 1.141 374 G CA 0.624 45.726 45.100 0.002 0.000 0.806 374 G HN 1.470 nan 8.290 nan 0.000 0.533 375 G N -1.193 107.611 108.800 0.007 0.000 2.692 375 G HA2 -0.051 3.909 3.960 0.000 0.000 0.248 375 G HA3 -0.051 3.909 3.960 0.000 0.000 0.248 375 G C -0.558 174.346 174.900 0.007 0.000 1.340 375 G CA -0.067 45.037 45.100 0.007 0.000 0.896 375 G HN 1.055 nan 8.290 nan 0.000 0.570 376 V N 0.085 120.002 119.914 0.005 0.000 2.668 376 V HA 0.705 4.825 4.120 0.000 0.000 0.304 376 V C 0.622 176.718 176.094 0.003 0.000 1.071 376 V CA -0.116 62.186 62.300 0.004 0.000 0.894 376 V CB 1.467 33.292 31.823 0.004 0.000 1.008 376 V HN 2.083 nan 8.190 nan 0.000 0.425 377 A N 4.428 127.250 122.820 0.003 0.000 2.362 377 A HA 0.712 5.032 4.320 0.000 0.000 0.276 377 A C -0.395 177.191 177.584 0.003 0.000 1.153 377 A CA -0.285 51.754 52.037 0.003 0.000 0.813 377 A CB 0.629 19.632 19.000 0.004 0.000 1.081 377 A HN 0.786 nan 8.150 nan 0.000 0.507 378 V N 5.102 125.017 119.914 0.002 0.000 2.328 378 V HA 0.251 4.371 4.120 0.000 0.000 0.278 378 V C -0.000 176.095 176.094 0.002 0.000 1.021 378 V CA -0.143 62.158 62.300 0.002 0.000 0.838 378 V CB 0.828 32.651 31.823 -0.001 0.000 0.999 378 V HN 0.724 nan 8.190 nan 0.000 0.447 379 I N 6.273 126.845 120.570 0.004 0.000 2.352 379 I HA 0.343 4.513 4.170 0.000 0.000 0.290 379 I C 0.258 176.375 176.117 0.000 0.000 1.036 379 I CA -0.308 60.994 61.300 0.002 0.000 1.336 379 I CB 0.723 38.726 38.000 0.004 0.000 1.407 379 I HN 0.513 nan 8.210 nan 0.000 0.497 380 K N 6.780 127.179 120.400 -0.001 0.000 2.339 380 K HA 0.483 4.803 4.320 0.000 0.000 0.264 380 K C -0.877 175.722 176.600 -0.003 0.000 0.986 380 K CA -0.735 55.551 56.287 -0.003 0.000 0.866 380 K CB 2.183 34.681 32.500 -0.003 0.000 1.103 380 K HN 0.262 nan 8.250 nan 0.000 0.441 381 V N 2.304 122.215 119.914 -0.004 0.000 2.461 381 V HA 0.292 4.412 4.120 0.000 0.000 0.275 381 V C 0.840 176.931 176.094 -0.005 0.000 1.047 381 V CA -0.437 61.860 62.300 -0.005 0.000 0.955 381 V CB 1.116 32.935 31.823 -0.007 0.000 0.988 381 V HN 0.910 nan 8.190 nan 0.000 0.471 382 G N 2.849 111.647 108.800 -0.004 0.000 2.441 382 G HA2 0.843 4.804 3.960 0.000 0.000 0.334 382 G HA3 0.843 4.804 3.960 0.000 0.000 0.334 382 G C -0.497 174.400 174.900 -0.005 0.000 1.161 382 G CA 0.113 45.210 45.100 -0.004 0.000 0.935 382 G HN 1.178 nan 8.290 nan 0.000 0.488 383 A N -0.598 122.219 122.820 -0.004 0.000 2.524 383 A HA 0.812 5.132 4.320 0.000 0.000 0.303 383 A C 0.803 178.384 177.584 -0.004 0.000 1.195 383 A CA 0.459 52.494 52.037 -0.004 0.000 0.651 383 A CB 0.382 19.379 19.000 -0.005 0.000 1.323 383 A HN 1.757 nan 8.150 nan 0.000 0.479 384 A N -0.927 121.891 122.820 -0.003 0.000 1.984 384 A HA 0.474 4.794 4.320 0.000 0.000 0.214 384 A C 1.132 178.714 177.584 -0.003 0.000 1.173 384 A CA 2.144 54.179 52.037 -0.003 0.000 0.673 384 A CB -0.482 18.516 19.000 -0.003 0.000 0.830 384 A HN 1.870 nan 8.150 nan 0.000 0.453 385 T N -4.169 110.383 114.554 -0.003 0.000 2.901 385 T HA 0.471 4.821 4.350 0.000 0.000 0.293 385 T C 0.467 175.166 174.700 -0.003 0.000 1.084 385 T CA 0.048 62.147 62.100 -0.002 0.000 1.008 385 T CB 1.884 70.751 68.868 -0.002 0.000 1.170 385 T HN 0.212 nan 8.240 nan 0.000 0.509 386 E N 0.064 120.263 120.200 -0.002 0.000 2.085 386 E HA -0.164 4.186 4.350 0.000 0.000 0.194 386 E C 1.897 178.495 176.600 -0.003 0.000 0.994 386 E CA 1.688 58.086 56.400 -0.002 0.000 0.801 386 E CB -0.316 29.384 29.700 -0.001 0.000 0.743 386 E HN 0.549 nan 8.360 nan 0.000 0.453 387 V N 0.843 120.756 119.914 -0.002 0.000 2.287 387 V HA -0.263 3.857 4.120 0.000 0.000 0.248 387 V C 2.145 178.236 176.094 -0.004 0.000 1.053 387 V CA 2.307 64.605 62.300 -0.002 0.000 1.027 387 V CB -0.726 31.096 31.823 -0.001 0.000 0.646 387 V HN 0.252 nan 8.190 nan 0.000 0.447 388 E N -0.522 119.676 120.200 -0.004 0.000 2.106 388 E HA -0.175 4.175 4.350 0.000 0.000 0.192 388 E C 2.204 178.800 176.600 -0.007 0.000 0.984 388 E CA 1.190 57.587 56.400 -0.006 0.000 0.806 388 E CB -0.220 29.477 29.700 -0.005 0.000 0.750 388 E HN 0.434 nan 8.360 nan 0.000 0.458 389 M N 1.117 120.714 119.600 -0.006 0.000 2.065 389 M HA -0.214 4.266 4.480 0.000 0.000 0.259 389 M C 1.800 178.094 176.300 -0.008 0.000 1.071 389 M CA 1.668 56.964 55.300 -0.007 0.000 1.109 389 M CB -0.237 32.360 32.600 -0.005 0.000 1.313 389 M HN -0.102 nan 8.290 nan 0.000 0.408 390 K N 0.330 120.725 120.400 -0.008 0.000 2.152 390 K HA -0.171 4.149 4.320 0.000 0.000 0.206 390 K C 1.833 178.426 176.600 -0.013 0.000 1.048 390 K CA 1.513 57.794 56.287 -0.010 0.000 0.933 390 K CB -0.341 32.155 32.500 -0.008 0.000 0.721 390 K HN 0.577 nan 8.250 nan 0.000 0.447 391 E N 0.339 120.532 120.200 -0.012 0.000 2.112 391 E HA -0.113 4.237 4.350 0.000 0.000 0.190 391 E C 2.008 178.598 176.600 -0.017 0.000 0.979 391 E CA 0.768 57.160 56.400 -0.014 0.000 0.814 391 E CB 0.077 29.770 29.700 -0.011 0.000 0.762 391 E HN 0.166 nan 8.360 nan 0.000 0.460 392 K N 1.370 121.761 120.400 -0.014 0.000 2.097 392 K HA -0.160 4.160 4.320 0.000 0.000 0.205 392 K C 2.106 178.695 176.600 -0.018 0.000 1.050 392 K CA 1.021 57.299 56.287 -0.015 0.000 0.938 392 K CB 0.113 32.607 32.500 -0.011 0.000 0.718 392 K HN -0.116 nan 8.250 nan 0.000 0.442 393 K N 0.162 120.551 120.400 -0.018 0.000 2.026 393 K HA -0.148 4.172 4.320 0.000 0.000 0.208 393 K C 1.962 178.542 176.600 -0.034 0.000 1.048 393 K CA 1.377 57.651 56.287 -0.021 0.000 0.929 393 K CB -0.181 32.308 32.500 -0.018 0.000 0.713 393 K HN 0.192 nan 8.250 nan 0.000 0.439 394 A N 1.332 124.131 122.820 -0.035 0.000 1.933 394 A HA -0.160 4.160 4.320 0.000 0.000 0.218 394 A C 2.119 179.670 177.584 -0.056 0.000 1.175 394 A CA 1.368 53.375 52.037 -0.050 0.000 0.628 394 A CB -0.448 18.527 19.000 -0.041 0.000 0.814 394 A HN 0.316 nan 8.150 nan 0.000 0.444 395 R N -0.741 119.735 120.500 -0.040 0.000 2.073 395 R HA -0.085 4.255 4.340 0.000 0.000 0.234 395 R C 2.108 178.384 176.300 -0.039 0.000 1.134 395 R CA 1.525 57.603 56.100 -0.037 0.000 0.952 395 R CB -0.528 29.758 30.300 -0.025 0.000 0.850 395 R HN 0.395 nan 8.270 nan 0.000 0.433 396 V N 1.119 121.014 119.914 -0.033 0.000 2.255 396 V HA -0.280 3.840 4.120 0.000 0.000 0.247 396 V C 2.005 178.074 176.094 -0.043 0.000 1.051 396 V CA 1.980 64.265 62.300 -0.026 0.000 1.018 396 V CB -0.483 31.331 31.823 -0.016 0.000 0.641 396 V HN 0.370 nan 8.190 nan 0.000 0.445 397 E N -0.123 120.033 120.200 -0.073 0.000 2.070 397 E HA -0.260 4.090 4.350 0.000 0.000 0.197 397 E C 2.026 178.470 176.600 -0.260 0.000 1.004 397 E CA 1.725 58.037 56.400 -0.147 0.000 0.805 397 E CB -0.204 29.391 29.700 -0.175 0.000 0.744 397 E HN 0.608 nan 8.360 nan 0.000 0.451 398 D N -0.022 120.260 120.400 -0.197 0.000 2.092 398 D HA -0.168 4.472 4.640 0.000 0.000 0.193 398 D C 1.874 178.137 176.300 -0.061 0.000 0.994 398 D CA 1.480 55.385 54.000 -0.159 0.000 0.828 398 D CB -0.444 40.301 40.800 -0.091 0.000 0.963 398 D HN 0.208 nan 8.370 nan 0.000 0.450 399 A N 0.680 123.479 122.820 -0.034 0.000 1.908 399 A HA -0.161 4.159 4.320 0.000 0.000 0.218 399 A C 2.186 179.790 177.584 0.032 0.000 1.181 399 A CA 1.211 53.249 52.037 0.001 0.000 0.627 399 A CB -0.794 18.204 19.000 -0.003 0.000 0.818 399 A HN 0.253 nan 8.150 nan 0.000 0.445 400 L N -0.312 120.936 121.223 0.041 0.000 1.989 400 L HA -0.229 4.111 4.340 0.000 0.000 0.211 400 L C 2.354 179.326 176.870 0.170 0.000 1.071 400 L CA 2.556 57.453 54.840 0.096 0.000 0.749 400 L CB -0.932 41.195 42.059 0.113 0.000 0.890 400 L HN 0.593 nan 8.230 nan 0.000 0.431 401 H N -1.085 117.983 119.070 -0.003 0.000 2.352 401 H HA -0.133 4.423 4.556 0.000 0.000 0.299 401 H C 2.073 177.401 175.328 0.000 0.000 1.097 401 H CA 0.818 56.864 56.048 -0.003 0.000 1.311 401 H CB -0.021 29.739 29.762 -0.003 0.000 1.377 401 H HN 0.571 nan 8.280 nan 0.000 0.504 402 A N 0.487 123.387 122.820 0.133 0.000 1.930 402 A HA -0.133 4.187 4.320 0.000 0.000 0.217 402 A C 2.422 180.036 177.584 0.049 0.000 1.175 402 A CA 1.822 53.902 52.037 0.071 0.000 0.627 402 A CB -0.624 18.403 19.000 0.045 0.000 0.815 402 A HN 0.317 nan 8.150 nan 0.000 0.443 403 T N -0.885 113.698 114.554 0.048 0.000 2.896 403 T HA -0.055 4.295 4.350 0.000 0.000 0.263 403 T C 2.138 176.853 174.700 0.025 0.000 1.050 403 T CA 1.002 63.121 62.100 0.031 0.000 1.140 403 T CB -0.196 68.689 68.868 0.028 0.000 0.877 403 T HN 0.264 nan 8.240 nan 0.000 0.457 404 R N 1.996 122.513 120.500 0.029 0.000 2.094 404 R HA 0.039 4.379 4.340 0.000 0.000 0.239 404 R C 2.537 178.840 176.300 0.004 0.000 1.137 404 R CA 1.976 58.080 56.100 0.008 0.000 0.943 404 R CB -1.236 29.055 30.300 -0.014 0.000 0.850 404 R HN 0.422 nan 8.270 nan 0.000 0.433 405 A N 0.055 122.882 122.820 0.012 0.000 1.933 405 A HA -0.041 4.279 4.320 0.000 0.000 0.218 405 A C 2.320 179.912 177.584 0.014 0.000 1.175 405 A CA 1.903 53.947 52.037 0.012 0.000 0.628 405 A CB -0.682 18.331 19.000 0.022 0.000 0.814 405 A HN 0.421 nan 8.150 nan 0.000 0.444 406 A N -0.114 122.716 122.820 0.017 0.000 1.969 406 A HA 0.042 4.362 4.320 0.000 0.000 0.218 406 A C 2.250 179.841 177.584 0.011 0.000 1.169 406 A CA 1.783 53.829 52.037 0.015 0.000 0.635 406 A CB -1.042 17.967 19.000 0.016 0.000 0.810 406 A HN 1.204 nan 8.150 nan 0.000 0.445 407 V N -2.181 117.738 119.914 0.009 0.000 2.970 407 V HA -0.101 4.019 4.120 0.000 0.000 0.260 407 V C 1.651 177.747 176.094 0.005 0.000 1.100 407 V CA 2.178 64.482 62.300 0.007 0.000 1.122 407 V CB -0.553 31.273 31.823 0.005 0.000 0.721 407 V HN 0.584 nan 8.190 nan 0.000 0.483 408 E N 0.486 120.689 120.200 0.004 0.000 2.051 408 E HA -0.030 4.320 4.350 0.000 0.000 0.189 408 E C 1.625 178.228 176.600 0.005 0.000 0.979 408 E CA 1.494 57.896 56.400 0.003 0.000 0.803 408 E CB 0.085 29.786 29.700 0.001 0.000 0.761 408 E HN 0.757 nan 8.360 nan 0.000 0.451 409 E N -0.937 119.267 120.200 0.007 0.000 2.743 409 E HA 0.208 4.559 4.350 0.000 0.000 0.222 409 E C 0.169 176.774 176.600 0.009 0.000 0.959 409 E CA 0.131 56.535 56.400 0.007 0.000 1.198 409 E CB 1.752 31.456 29.700 0.008 0.000 1.100 409 E HN 0.239 nan 8.360 nan 0.000 0.518 410 G N 0.874 109.680 108.800 0.010 0.000 2.568 410 G HA2 -0.226 3.734 3.960 0.000 0.000 0.222 410 G HA3 -0.226 3.734 3.960 0.000 0.000 0.222 410 G C -0.796 174.111 174.900 0.013 0.000 1.321 410 G CA -0.326 44.781 45.100 0.011 0.000 0.893 410 G HN 0.138 nan 8.290 nan 0.000 0.569 411 V N -0.086 119.836 119.914 0.013 0.000 2.888 411 V HA 0.767 4.887 4.120 0.000 0.000 0.309 411 V C 0.125 176.228 176.094 0.015 0.000 1.114 411 V CA 0.219 62.527 62.300 0.014 0.000 0.940 411 V CB 1.872 33.703 31.823 0.013 0.000 1.021 411 V HN 2.020 nan 8.190 nan 0.000 0.426 412 V N 2.066 121.990 119.914 0.016 0.000 3.159 412 V HA 0.957 5.077 4.120 0.000 0.000 0.308 412 V C 0.167 176.272 176.094 0.018 0.000 1.190 412 V CA -0.941 61.370 62.300 0.019 0.000 1.037 412 V CB 1.564 33.399 31.823 0.020 0.000 1.060 412 V HN 1.481 nan 8.190 nan 0.000 0.437 413 A N 1.202 124.035 122.820 0.022 0.000 2.580 413 A HA 0.515 4.835 4.320 0.000 0.000 0.244 413 A C 0.977 178.571 177.584 0.017 0.000 1.045 413 A CA 0.935 52.984 52.037 0.020 0.000 0.761 413 A CB -0.805 18.212 19.000 0.028 0.000 0.962 413 A HN 2.034 nan 8.150 nan 0.000 0.512 414 G N 1.104 109.910 108.800 0.010 0.000 2.494 414 G HA2 0.530 4.490 3.960 0.000 0.000 0.270 414 G HA3 0.530 4.490 3.960 0.000 0.000 0.270 414 G C 1.155 176.062 174.900 0.011 0.000 1.423 414 G CA -0.037 45.068 45.100 0.008 0.000 1.055 414 G HN 2.275 nan 8.290 nan 0.000 0.536 415 G N -1.911 106.895 108.800 0.009 0.000 2.379 415 G HA2 0.225 4.185 3.960 0.000 0.000 0.297 415 G HA3 0.225 4.185 3.960 0.000 0.000 0.297 415 G C 1.448 176.366 174.900 0.030 0.000 1.004 415 G CA 1.376 46.486 45.100 0.017 0.000 0.921 415 G HN 2.450 nan 8.290 nan 0.000 0.511 416 G N -3.223 105.593 108.800 0.027 0.000 2.217 416 G HA2 -0.247 3.713 3.960 0.000 0.000 0.246 416 G HA3 -0.247 3.713 3.960 0.000 0.000 0.246 416 G C 1.344 176.264 174.900 0.033 0.000 0.990 416 G CA 0.990 46.108 45.100 0.030 0.000 0.627 416 G HN 1.391 nan 8.290 nan 0.000 0.522 417 V N 1.197 121.131 119.914 0.034 0.000 2.323 417 V HA 0.100 4.220 4.120 0.000 0.000 0.244 417 V C 3.240 179.358 176.094 0.040 0.000 1.041 417 V CA 2.827 65.150 62.300 0.040 0.000 1.025 417 V CB -0.992 30.852 31.823 0.035 0.000 0.656 417 V HN 0.937 nan 8.190 nan 0.000 0.451 418 A N -0.152 122.688 122.820 0.033 0.000 1.948 418 A HA -0.210 4.110 4.320 0.000 0.000 0.220 418 A C 2.238 179.840 177.584 0.030 0.000 1.177 418 A CA 1.951 54.007 52.037 0.032 0.000 0.636 418 A CB -0.596 18.420 19.000 0.027 0.000 0.815 418 A HN 0.503 nan 8.150 nan 0.000 0.449 419 L N -1.116 120.124 121.223 0.028 0.000 2.017 419 L HA -0.143 4.197 4.340 0.000 0.000 0.208 419 L C 2.524 179.411 176.870 0.027 0.000 1.073 419 L CA 1.620 56.475 54.840 0.025 0.000 0.745 419 L CB -0.327 41.746 42.059 0.024 0.000 0.894 419 L HN 0.496 nan 8.230 nan 0.000 0.432 420 I N -0.647 119.943 120.570 0.032 0.000 2.617 420 I HA -0.246 3.924 4.170 0.000 0.000 0.256 420 I C 2.701 178.842 176.117 0.040 0.000 1.167 420 I CA 0.634 61.955 61.300 0.034 0.000 1.469 420 I CB 0.053 38.075 38.000 0.038 0.000 1.098 420 I HN 0.180 nan 8.210 nan 0.000 0.436 421 R N 0.652 121.179 120.500 0.045 0.000 2.070 421 R HA -0.170 4.170 4.340 0.000 0.000 0.233 421 R C 2.303 178.625 176.300 0.036 0.000 1.137 421 R CA 2.377 58.506 56.100 0.049 0.000 0.945 421 R CB -0.775 29.558 30.300 0.054 0.000 0.845 421 R HN 0.410 nan 8.270 nan 0.000 0.430 422 V N -0.943 118.989 119.914 0.030 0.000 2.407 422 V HA -0.072 4.048 4.120 0.000 0.000 0.248 422 V C 2.120 178.226 176.094 0.020 0.000 1.055 422 V CA 1.848 64.161 62.300 0.022 0.000 1.049 422 V CB -1.123 30.711 31.823 0.018 0.000 0.662 422 V HN 0.381 nan 8.190 nan 0.000 0.455 423 A N 1.711 124.543 122.820 0.021 0.000 1.902 423 A HA -0.170 4.150 4.320 0.000 0.000 0.217 423 A C 2.592 180.186 177.584 0.018 0.000 1.181 423 A CA 2.635 54.682 52.037 0.018 0.000 0.623 423 A CB -1.200 17.811 19.000 0.018 0.000 0.818 423 A HN 1.089 nan 8.150 nan 0.000 0.443 424 S N -0.289 115.425 115.700 0.023 0.000 2.469 424 S HA -0.107 4.363 4.470 0.000 0.000 0.238 424 S C 1.494 176.104 174.600 0.018 0.000 0.998 424 S CA 1.439 59.652 58.200 0.022 0.000 0.957 424 S CB -0.284 62.934 63.200 0.029 0.000 0.764 424 S HN 0.627 nan 8.310 nan 0.000 0.514 425 K N 0.535 120.946 120.400 0.017 0.000 2.400 425 K HA 0.329 4.649 4.320 0.000 0.000 0.194 425 K C 0.829 177.435 176.600 0.010 0.000 1.033 425 K CA 0.261 56.556 56.287 0.013 0.000 1.021 425 K CB -0.026 32.483 32.500 0.015 0.000 0.808 425 K HN 0.379 nan 8.250 nan 0.000 0.505 426 L N 0.425 121.654 121.223 0.010 0.000 2.791 426 L HA 0.236 4.576 4.340 0.000 0.000 0.239 426 L C 1.653 178.526 176.870 0.006 0.000 1.203 426 L CA -0.282 54.563 54.840 0.007 0.000 1.002 426 L CB 0.045 42.108 42.059 0.007 0.000 1.295 426 L HN 0.097 nan 8.230 nan 0.000 0.504 427 A N 0.094 122.918 122.820 0.006 0.000 1.978 427 A HA -0.182 4.138 4.320 0.000 0.000 0.220 427 A C 1.574 179.161 177.584 0.004 0.000 1.170 427 A CA 1.568 53.608 52.037 0.005 0.000 0.636 427 A CB -0.170 18.833 19.000 0.005 0.000 0.810 427 A HN 0.395 nan 8.150 nan 0.000 0.448 428 D N -0.808 119.594 120.400 0.003 0.000 2.340 428 D HA 0.134 4.774 4.640 0.000 0.000 0.220 428 D C 0.185 176.486 176.300 0.002 0.000 1.039 428 D CA -0.200 53.801 54.000 0.002 0.000 0.866 428 D CB -0.177 40.624 40.800 0.002 0.000 0.913 428 D HN 0.309 nan 8.370 nan 0.000 0.523 429 L N 1.963 123.188 121.223 0.003 0.000 2.499 429 L HA 0.035 4.375 4.340 0.000 0.000 0.273 429 L C 0.278 177.149 176.870 0.002 0.000 1.195 429 L CA 0.682 55.524 54.840 0.002 0.000 0.882 429 L CB 0.071 42.131 42.059 0.003 0.000 1.133 429 L HN -0.205 nan 8.230 nan 0.000 0.483 430 R N 2.996 123.497 120.500 0.001 0.000 2.888 430 R HA 0.772 5.112 4.340 0.000 0.000 0.264 430 R C -0.267 176.033 176.300 0.001 0.000 1.045 430 R CA -0.407 55.694 56.100 0.001 0.000 0.962 430 R CB 1.498 31.799 30.300 0.001 0.000 1.210 430 R HN 0.770 nan 8.270 nan 0.000 0.479 431 G N -0.515 108.286 108.800 0.001 0.000 3.211 431 G HA2 0.269 4.229 3.960 0.000 0.000 0.262 431 G HA3 0.269 4.229 3.960 0.000 0.000 0.262 431 G C -0.022 174.879 174.900 0.001 0.000 1.352 431 G CA -0.382 44.718 45.100 0.001 0.000 1.004 431 G HN 0.394 nan 8.290 nan 0.000 0.559 432 Q N -0.560 119.240 119.800 0.001 0.000 2.291 432 Q HA 0.058 4.398 4.340 0.000 0.000 0.205 432 Q C 0.494 176.494 176.000 0.001 0.000 0.970 432 Q CA 1.379 57.183 55.803 0.001 0.000 0.876 432 Q CB -0.117 28.622 28.738 0.001 0.000 0.935 432 Q HN 0.601 nan 8.270 nan 0.000 0.455 433 N N -2.088 116.613 118.700 0.001 0.000 3.308 433 N HA 0.005 4.745 4.740 0.000 0.000 0.276 433 N C -0.150 175.361 175.510 0.001 0.000 1.533 433 N CA -0.545 52.505 53.050 0.001 0.000 0.878 433 N CB 0.346 38.834 38.487 0.001 0.000 1.566 433 N HN -0.199 nan 8.380 nan 0.000 0.546 434 E N -0.687 119.514 120.200 0.001 0.000 2.152 434 E HA -0.014 4.336 4.350 0.000 0.000 0.192 434 E C 0.290 176.891 176.600 0.002 0.000 0.983 434 E CA 1.419 57.820 56.400 0.002 0.000 0.818 434 E CB -0.275 29.426 29.700 0.001 0.000 0.758 434 E HN 0.555 nan 8.360 nan 0.000 0.467 435 D N -0.030 120.372 120.400 0.002 0.000 2.224 435 D HA -0.090 4.550 4.640 0.000 0.000 0.205 435 D C 1.583 177.885 176.300 0.003 0.000 0.965 435 D CA 0.597 54.599 54.000 0.003 0.000 0.852 435 D CB -0.017 40.785 40.800 0.003 0.000 0.947 435 D HN 0.338 nan 8.370 nan 0.000 0.494 436 Q N 0.038 119.840 119.800 0.003 0.000 2.187 436 Q HA -0.004 4.336 4.340 0.000 0.000 0.199 436 Q C 1.669 177.670 176.000 0.003 0.000 0.957 436 Q CA 0.573 56.377 55.803 0.003 0.000 0.857 436 Q CB 0.061 28.801 28.738 0.002 0.000 0.929 436 Q HN 0.363 nan 8.270 nan 0.000 0.453 437 N N -0.391 118.310 118.700 0.002 0.000 2.142 437 N HA -0.146 4.594 4.740 0.000 0.000 0.186 437 N C 1.884 177.396 175.510 0.003 0.000 1.023 437 N CA 1.147 54.199 53.050 0.002 0.000 0.852 437 N CB 0.061 38.549 38.487 0.002 0.000 0.998 437 N HN 0.109 nan 8.380 nan 0.000 0.424 438 V N 0.184 120.100 119.914 0.003 0.000 2.548 438 V HA 0.038 4.158 4.120 0.000 0.000 0.249 438 V C 2.007 178.104 176.094 0.004 0.000 1.055 438 V CA 1.976 64.278 62.300 0.004 0.000 1.065 438 V CB -1.028 30.797 31.823 0.004 0.000 0.681 438 V HN 0.253 nan 8.190 nan 0.000 0.462 439 G N 0.768 109.571 108.800 0.004 0.000 2.529 439 G HA2 -0.296 3.664 3.960 0.000 0.000 0.219 439 G HA3 -0.296 3.664 3.960 0.000 0.000 0.219 439 G C 1.536 176.438 174.900 0.004 0.000 1.177 439 G CA 1.630 46.733 45.100 0.005 0.000 0.773 439 G HN 0.582 nan 8.290 nan 0.000 0.573 440 I N 0.469 121.041 120.570 0.004 0.000 2.179 440 I HA -0.148 4.022 4.170 0.000 0.000 0.242 440 I C 2.695 178.814 176.117 0.005 0.000 1.088 440 I CA 1.135 62.437 61.300 0.004 0.000 1.357 440 I CB -0.099 37.903 38.000 0.003 0.000 1.051 440 I HN -0.002 nan 8.210 nan 0.000 0.409 441 K N 0.536 120.939 120.400 0.005 0.000 2.097 441 K HA -0.078 4.242 4.320 0.000 0.000 0.206 441 K C 2.165 178.768 176.600 0.006 0.000 1.049 441 K CA 0.987 57.277 56.287 0.005 0.000 0.933 441 K CB -0.870 31.633 32.500 0.005 0.000 0.717 441 K HN 0.207 nan 8.250 nan 0.000 0.442 442 V N 1.886 121.803 119.914 0.006 0.000 2.252 442 V HA -0.303 3.817 4.120 0.000 0.000 0.249 442 V C 2.504 178.603 176.094 0.008 0.000 1.056 442 V CA 2.204 64.508 62.300 0.007 0.000 1.022 442 V CB -0.892 30.935 31.823 0.007 0.000 0.641 442 V HN 0.337 nan 8.190 nan 0.000 0.445 443 A N -0.515 122.310 122.820 0.008 0.000 1.908 443 A HA -0.190 4.130 4.320 0.000 0.000 0.218 443 A C 2.179 179.768 177.584 0.009 0.000 1.181 443 A CA 2.026 54.068 52.037 0.008 0.000 0.627 443 A CB -0.566 18.437 19.000 0.006 0.000 0.818 443 A HN 0.536 nan 8.150 nan 0.000 0.445 444 L N -1.503 119.725 121.223 0.008 0.000 2.156 444 L HA -0.082 4.258 4.340 0.000 0.000 0.208 444 L C 2.767 179.644 176.870 0.011 0.000 1.095 444 L CA 1.404 56.250 54.840 0.010 0.000 0.770 444 L CB -0.445 41.619 42.059 0.009 0.000 0.914 444 L HN 0.464 nan 8.230 nan 0.000 0.439 445 R N 0.487 120.993 120.500 0.010 0.000 2.127 445 R HA -0.035 4.305 4.340 0.000 0.000 0.217 445 R C 2.297 178.603 176.300 0.010 0.000 1.074 445 R CA 1.001 57.107 56.100 0.010 0.000 0.991 445 R CB -0.027 30.278 30.300 0.008 0.000 0.895 445 R HN 0.266 nan 8.270 nan 0.000 0.450 446 A N 1.004 123.831 122.820 0.011 0.000 1.969 446 A HA -0.118 4.202 4.320 0.000 0.000 0.218 446 A C 2.057 179.650 177.584 0.014 0.000 1.169 446 A CA 1.142 53.187 52.037 0.013 0.000 0.635 446 A CB -0.362 18.646 19.000 0.014 0.000 0.810 446 A HN 0.325 nan 8.150 nan 0.000 0.445 447 M N -0.295 119.314 119.600 0.014 0.000 2.539 447 M HA -0.130 4.350 4.480 0.000 0.000 0.261 447 M C 1.302 177.613 176.300 0.018 0.000 1.069 447 M CA 1.018 56.328 55.300 0.016 0.000 1.081 447 M CB -0.311 32.298 32.600 0.016 0.000 1.412 447 M HN 0.476 nan 8.290 nan 0.000 0.482 448 E N 0.214 120.423 120.200 0.015 0.000 2.435 448 E HA 0.007 4.357 4.350 0.000 0.000 0.195 448 E C 2.059 178.667 176.600 0.012 0.000 1.029 448 E CA 0.514 56.923 56.400 0.015 0.000 0.865 448 E CB 0.052 29.759 29.700 0.012 0.000 0.833 448 E HN 0.508 nan 8.360 nan 0.000 0.510 449 A N 2.463 125.291 122.820 0.013 0.000 1.877 449 A HA -0.091 4.229 4.320 0.000 0.000 0.216 449 A C -0.293 177.298 177.584 0.012 0.000 1.186 449 A CA 1.009 53.053 52.037 0.011 0.000 0.620 449 A CB -1.314 17.693 19.000 0.012 0.000 0.822 449 A HN 0.119 nan 8.150 nan 0.000 0.443 450 P HA -0.160 nan 4.420 nan 0.000 0.215 450 P C 1.702 179.013 177.300 0.017 0.000 1.157 450 P CA 1.045 64.156 63.100 0.017 0.000 0.868 450 P CB -0.095 31.617 31.700 0.021 0.000 0.788 451 L N -0.439 120.794 121.223 0.017 0.000 2.093 451 L HA -0.067 4.273 4.340 0.000 0.000 0.208 451 L C 2.305 179.176 176.870 0.001 0.000 1.085 451 L CA 1.694 56.544 54.840 0.017 0.000 0.755 451 L CB -0.647 41.425 42.059 0.020 0.000 0.904 451 L HN -0.238 nan 8.230 nan 0.000 0.435 452 R N -0.863 119.635 120.500 -0.003 0.000 2.120 452 R HA -0.197 4.143 4.340 0.000 0.000 0.234 452 R C 2.253 178.549 176.300 -0.008 0.000 1.123 452 R CA 1.389 57.481 56.100 -0.013 0.000 0.975 452 R CB -0.441 29.854 30.300 -0.009 0.000 0.866 452 R HN 0.402 nan 8.270 nan 0.000 0.446 453 Q N 1.245 121.047 119.800 0.002 0.000 2.083 453 Q HA -0.026 4.314 4.340 0.000 0.000 0.198 453 Q C 1.878 177.884 176.000 0.009 0.000 0.969 453 Q CA 1.428 57.234 55.803 0.005 0.000 0.838 453 Q CB -0.101 28.642 28.738 0.009 0.000 0.900 453 Q HN 0.331 nan 8.270 nan 0.000 0.436 454 I N -0.508 120.071 120.570 0.016 0.000 2.264 454 I HA -0.253 3.917 4.170 0.000 0.000 0.248 454 I C 1.858 177.997 176.117 0.035 0.000 1.111 454 I CA 0.920 62.237 61.300 0.028 0.000 1.382 454 I CB -0.118 37.907 38.000 0.042 0.000 1.060 454 I HN 0.077 nan 8.210 nan 0.000 0.418 455 V N 0.279 120.201 119.914 0.013 0.000 2.719 455 V HA -0.198 3.922 4.120 0.000 0.000 0.252 455 V C 2.198 178.286 176.094 -0.010 0.000 1.065 455 V CA 1.019 63.311 62.300 -0.012 0.000 1.086 455 V CB -0.155 31.595 31.823 -0.122 0.000 0.700 455 V HN 0.328 nan 8.190 nan 0.000 0.467 456 L N 0.858 122.075 121.223 -0.009 0.000 2.027 456 L HA -0.109 4.231 4.340 0.000 0.000 0.206 456 L C 2.236 179.110 176.870 0.006 0.000 1.074 456 L CA 1.843 56.681 54.840 -0.004 0.000 0.745 456 L CB -0.816 41.241 42.059 -0.004 0.000 0.898 456 L HN 0.295 nan 8.230 nan 0.000 0.433 457 N N -0.801 117.905 118.700 0.011 0.000 2.247 457 N HA -0.224 4.516 4.740 0.000 0.000 0.189 457 N C 1.740 177.261 175.510 0.018 0.000 1.009 457 N CA 1.745 54.803 53.050 0.013 0.000 0.872 457 N CB -0.913 37.582 38.487 0.013 0.000 0.980 457 N HN 0.447 nan 8.380 nan 0.000 0.436 458 C N -0.778 118.540 119.300 0.029 0.000 2.500 458 C HA 0.241 4.701 4.460 0.000 0.000 0.273 458 C C 1.737 176.744 174.990 0.029 0.000 1.428 458 C CA 0.382 59.424 59.018 0.040 0.000 1.766 458 C CB -1.114 26.676 27.740 0.085 0.000 1.817 458 C HN 0.645 nan 8.230 nan 0.000 0.543 459 G N 0.766 109.576 108.800 0.018 0.000 2.136 459 G HA2 -0.163 3.797 3.960 0.000 0.000 0.242 459 G HA3 -0.163 3.797 3.960 0.000 0.000 0.242 459 G C -0.222 174.685 174.900 0.012 0.000 0.989 459 G CA 0.175 45.283 45.100 0.013 0.000 0.682 459 G HN 0.470 nan 8.290 nan 0.000 0.522 460 E N 0.096 120.299 120.200 0.006 0.000 2.239 460 E HA 0.441 4.791 4.350 0.000 0.000 0.261 460 E C 0.242 176.823 176.600 -0.031 0.000 1.016 460 E CA -0.854 55.540 56.400 -0.010 0.000 0.882 460 E CB 0.629 30.317 29.700 -0.020 0.000 1.190 460 E HN 0.416 nan 8.360 nan 0.000 0.415 461 E N 2.733 122.911 120.200 -0.036 0.000 2.029 461 E HA 0.041 4.391 4.350 0.000 0.000 0.276 461 E C -1.426 175.139 176.600 -0.058 0.000 1.163 461 E CA -1.431 54.949 56.400 -0.034 0.000 0.909 461 E CB 0.700 30.390 29.700 -0.016 0.000 1.046 461 E HN 0.167 nan 8.360 nan 0.000 0.406 462 P HA -0.195 nan 4.420 nan 0.000 0.217 462 P C 1.203 178.475 177.300 -0.047 0.000 1.150 462 P CA 1.148 64.211 63.100 -0.061 0.000 0.832 462 P CB 0.279 31.957 31.700 -0.037 0.000 0.787 463 S N -0.981 114.702 115.700 -0.028 0.000 2.461 463 S HA -0.030 4.440 4.470 0.000 0.000 0.228 463 S C 2.014 176.605 174.600 -0.015 0.000 1.005 463 S CA 0.639 58.828 58.200 -0.018 0.000 0.942 463 S CB -1.518 61.677 63.200 -0.009 0.000 0.776 463 S HN -0.048 nan 8.310 nan 0.000 0.514 464 V N 1.799 121.702 119.914 -0.018 0.000 2.307 464 V HA -0.104 4.016 4.120 0.000 0.000 0.245 464 V C 2.641 178.738 176.094 0.004 0.000 1.045 464 V CA 1.574 63.871 62.300 -0.005 0.000 1.024 464 V CB -0.803 31.022 31.823 0.003 0.000 0.651 464 V HN 0.461 nan 8.190 nan 0.000 0.449 465 V N 0.513 120.404 119.914 -0.038 0.000 2.490 465 V HA -0.243 3.878 4.120 0.000 0.000 0.250 465 V C 2.664 178.763 176.094 0.008 0.000 1.061 465 V CA 1.919 64.190 62.300 -0.049 0.000 1.064 465 V CB -1.182 30.418 31.823 -0.372 0.000 0.670 465 V HN 0.548 nan 8.190 nan 0.000 0.461 466 A N 0.558 123.370 122.820 -0.013 0.000 1.898 466 A HA -0.245 4.075 4.320 0.000 0.000 0.216 466 A C 2.095 179.697 177.584 0.030 0.000 1.181 466 A CA 2.107 54.151 52.037 0.011 0.000 0.620 466 A CB -0.776 18.225 19.000 0.001 0.000 0.819 466 A HN 0.606 nan 8.150 nan 0.000 0.442 467 N N -0.678 118.033 118.700 0.018 0.000 2.120 467 N HA -0.120 4.620 4.740 0.000 0.000 0.188 467 N C 1.645 177.168 175.510 0.021 0.000 1.024 467 N CA 2.267 55.326 53.050 0.015 0.000 0.852 467 N CB -0.297 38.192 38.487 0.004 0.000 1.003 467 N HN 0.363 nan 8.380 nan 0.000 0.424 468 T N -0.457 114.108 114.554 0.020 0.000 2.737 468 T HA -0.063 4.287 4.350 0.000 0.000 0.265 468 T C 1.942 176.705 174.700 0.105 0.000 1.038 468 T CA 1.236 63.328 62.100 -0.013 0.000 1.144 468 T CB -0.400 68.366 68.868 -0.171 0.000 0.866 468 T HN 0.024 nan 8.240 nan 0.000 0.434 469 V N 1.996 122.008 119.914 0.163 0.000 2.287 469 V HA -0.206 3.914 4.120 0.000 0.000 0.248 469 V C 2.493 178.695 176.094 0.179 0.000 1.053 469 V CA 1.552 63.979 62.300 0.212 0.000 1.027 469 V CB -0.533 31.381 31.823 0.153 0.000 0.646 469 V HN 0.487 nan 8.190 nan 0.000 0.447 470 K N 0.422 120.884 120.400 0.103 0.000 2.152 470 K HA -0.140 4.180 4.320 0.000 0.000 0.206 470 K C 2.091 178.727 176.600 0.061 0.000 1.048 470 K CA 1.560 57.890 56.287 0.072 0.000 0.933 470 K CB -0.576 31.949 32.500 0.042 0.000 0.721 470 K HN 0.587 nan 8.250 nan 0.000 0.447 471 G N 1.152 109.982 108.800 0.050 0.000 2.650 471 G HA2 -0.004 3.956 3.960 0.000 0.000 0.214 471 G HA3 -0.004 3.956 3.960 0.000 0.000 0.214 471 G C 0.662 175.547 174.900 -0.024 0.000 1.136 471 G CA 0.321 45.424 45.100 0.004 0.000 0.789 471 G HN 0.319 nan 8.290 nan 0.000 0.536 472 G N -0.732 108.084 108.800 0.027 0.000 2.547 472 G HA2 0.455 4.415 3.960 0.000 0.000 0.291 472 G HA3 0.455 4.415 3.960 0.000 0.000 0.291 472 G C -1.385 173.514 174.900 -0.001 0.000 1.211 472 G CA -0.318 44.721 45.100 -0.101 0.000 0.950 472 G HN 0.067 nan 8.290 nan 0.000 0.504 473 D N -1.745 118.631 120.400 -0.040 0.000 2.269 473 D HA 0.564 5.204 4.640 0.000 0.000 0.244 473 D C 0.889 177.236 176.300 0.079 0.000 0.992 473 D CA 1.104 55.117 54.000 0.021 0.000 0.894 473 D CB 1.523 42.316 40.800 -0.012 0.000 1.248 473 D HN 0.950 nan 8.370 nan 0.000 0.468 474 G N 2.518 111.361 108.800 0.071 0.000 2.539 474 G HA2 -0.293 3.667 3.960 0.000 0.000 0.256 474 G HA3 -0.293 3.667 3.960 0.000 0.000 0.256 474 G C 0.499 175.460 174.900 0.102 0.000 1.233 474 G CA 0.005 45.150 45.100 0.075 0.000 0.936 474 G HN 0.620 nan 8.290 nan 0.000 0.571 475 N N 0.500 119.258 118.700 0.096 0.000 2.551 475 N HA 0.015 4.755 4.740 0.000 0.000 0.199 475 N C 0.571 176.164 175.510 0.138 0.000 1.277 475 N CA 0.607 53.715 53.050 0.095 0.000 0.870 475 N CB -0.064 38.461 38.487 0.063 0.000 1.028 475 N HN 0.514 nan 8.380 nan 0.000 0.452 476 Y N 1.434 121.765 120.300 0.053 0.000 2.610 476 Y HA 0.290 4.840 4.550 0.000 0.000 0.332 476 Y C 0.874 176.844 175.900 0.117 0.000 1.201 476 Y CA 0.427 58.574 58.100 0.078 0.000 1.465 476 Y CB 0.325 38.822 38.460 0.061 0.000 1.283 476 Y HN 0.107 nan 8.280 nan 0.000 0.563 477 G N 3.745 112.266 108.800 -0.465 0.000 2.490 477 G HA2 0.204 4.164 3.960 0.000 0.000 0.308 477 G HA3 0.204 4.164 3.960 0.000 0.000 0.308 477 G C -2.473 172.353 174.900 -0.124 0.000 1.286 477 G CA -0.987 43.968 45.100 -0.240 0.000 0.825 477 G HN 0.583 nan 8.290 nan 0.000 0.479 478 Y N 1.611 121.803 120.300 -0.180 0.000 2.331 478 Y HA 0.625 5.175 4.550 0.000 0.000 0.338 478 Y C -0.103 175.656 175.900 -0.235 0.000 0.992 478 Y CA -1.346 56.562 58.100 -0.320 0.000 1.121 478 Y CB 1.573 39.831 38.460 -0.337 0.000 1.184 478 Y HN 0.452 nan 8.280 nan 0.000 0.469 479 N N 4.720 123.057 118.700 -0.604 0.000 2.437 479 N HA 0.203 4.943 4.740 0.000 0.000 0.243 479 N C 0.296 175.394 175.510 -0.685 0.000 1.041 479 N CA 0.464 53.232 53.050 -0.470 0.000 0.940 479 N CB 1.387 39.672 38.487 -0.337 0.000 1.133 479 N HN 0.876 nan 8.380 nan 0.000 0.506 480 A N 3.809 126.394 122.820 -0.391 0.000 2.067 480 A HA 0.027 4.347 4.320 0.000 0.000 0.219 480 A C 2.043 179.500 177.584 -0.212 0.000 1.158 480 A CA 1.431 53.304 52.037 -0.273 0.000 0.661 480 A CB -0.520 18.471 19.000 -0.014 0.000 0.801 480 A HN 0.730 nan 8.150 nan 0.000 0.452 481 A N -0.087 122.624 122.820 -0.182 0.000 1.877 481 A HA -0.118 4.202 4.320 0.000 0.000 0.216 481 A C 2.324 179.817 177.584 -0.150 0.000 1.186 481 A CA 2.442 54.402 52.037 -0.129 0.000 0.620 481 A CB -1.086 17.855 19.000 -0.098 0.000 0.822 481 A HN 0.789 nan 8.150 nan 0.000 0.443 482 T N -3.522 110.907 114.554 -0.208 0.000 3.069 482 T HA 0.271 4.622 4.350 0.000 0.000 0.252 482 T C 0.192 174.749 174.700 -0.238 0.000 1.053 482 T CA 0.605 62.596 62.100 -0.182 0.000 0.964 482 T CB -0.266 68.506 68.868 -0.160 0.000 1.005 482 T HN 0.557 nan 8.240 nan 0.000 0.532 483 E N 1.448 121.410 120.200 -0.397 0.000 2.252 483 E HA -0.139 4.211 4.350 0.000 0.000 0.218 483 E C -0.814 175.525 176.600 -0.434 0.000 1.253 483 E CA 0.412 56.518 56.400 -0.490 0.000 0.705 483 E CB -0.830 28.787 29.700 -0.139 0.000 1.172 483 E HN 0.602 nan 8.360 nan 0.000 0.369 484 E N -0.354 119.481 120.200 -0.608 0.000 2.366 484 E HA 0.315 4.665 4.350 0.000 0.000 0.278 484 E C -0.868 175.495 176.600 -0.395 0.000 0.923 484 E CA -0.697 55.507 56.400 -0.325 0.000 0.761 484 E CB 1.022 30.624 29.700 -0.163 0.000 1.231 484 E HN 0.076 nan 8.360 nan 0.000 0.443 485 Y N 0.012 120.292 120.300 -0.035 0.000 2.374 485 Y HA 0.670 5.220 4.550 0.000 0.000 0.322 485 Y C 1.222 177.081 175.900 -0.069 0.000 1.275 485 Y CA 0.476 58.531 58.100 -0.075 0.000 1.307 485 Y CB 1.765 40.238 38.460 0.023 0.000 1.282 485 Y HN 0.656 nan 8.280 nan 0.000 0.509 486 G N 0.642 109.459 108.800 0.028 0.000 2.315 486 G HA2 -0.011 3.949 3.960 0.000 0.000 0.294 486 G HA3 -0.011 3.949 3.960 0.000 0.000 0.294 486 G C -1.976 172.958 174.900 0.057 0.000 1.300 486 G CA -1.217 43.935 45.100 0.086 0.000 0.843 486 G HN 0.542 nan 8.290 nan 0.000 0.527 487 N N 0.888 119.646 118.700 0.097 0.000 2.420 487 N HA 0.104 4.844 4.740 0.000 0.000 0.262 487 N C 1.634 177.159 175.510 0.026 0.000 1.144 487 N CA -0.416 52.684 53.050 0.083 0.000 0.952 487 N CB 0.788 39.325 38.487 0.083 0.000 1.081 487 N HN 0.419 nan 8.380 nan 0.000 0.480 488 M N 3.451 123.059 119.600 0.013 0.000 2.229 488 M HA -0.118 4.362 4.480 0.000 0.000 0.264 488 M C 1.566 177.867 176.300 0.001 0.000 1.063 488 M CA 0.878 56.173 55.300 -0.009 0.000 1.114 488 M CB -0.226 32.369 32.600 -0.007 0.000 1.387 488 M HN 0.575 nan 8.290 nan 0.000 0.420 489 I N 0.563 121.142 120.570 0.015 0.000 2.233 489 I HA -0.231 3.939 4.170 0.000 0.000 0.243 489 I C 1.792 177.914 176.117 0.009 0.000 1.093 489 I CA 1.327 62.635 61.300 0.013 0.000 1.380 489 I CB -1.393 36.619 38.000 0.019 0.000 1.067 489 I HN 0.228 nan 8.210 nan 0.000 0.413 490 D N 0.887 121.296 120.400 0.015 0.000 2.182 490 D HA -0.189 4.451 4.640 0.000 0.000 0.201 490 D C 2.126 178.426 176.300 0.000 0.000 0.986 490 D CA 1.286 55.292 54.000 0.011 0.000 0.847 490 D CB -0.203 40.608 40.800 0.018 0.000 0.942 490 D HN 0.358 nan 8.370 nan 0.000 0.467 491 M N -0.719 118.876 119.600 -0.007 0.000 2.618 491 M HA 0.152 4.632 4.480 0.000 0.000 0.240 491 M C 1.041 177.327 176.300 -0.025 0.000 1.123 491 M CA 0.495 55.782 55.300 -0.022 0.000 1.060 491 M CB 0.441 33.016 32.600 -0.042 0.000 1.535 491 M HN 0.048 nan 8.290 nan 0.000 0.507 492 G N 2.232 111.023 108.800 -0.015 0.000 2.176 492 G HA2 -0.250 3.710 3.960 0.000 0.000 0.252 492 G HA3 -0.250 3.710 3.960 0.000 0.000 0.252 492 G C -0.074 174.815 174.900 -0.017 0.000 1.024 492 G CA -0.169 44.923 45.100 -0.013 0.000 0.755 492 G HN 0.520 nan 8.290 nan 0.000 0.507 493 I N 0.872 121.430 120.570 -0.021 0.000 2.347 493 I HA 0.522 4.692 4.170 0.000 0.000 0.283 493 I C 0.184 176.295 176.117 -0.010 0.000 1.058 493 I CA -0.886 60.400 61.300 -0.022 0.000 1.202 493 I CB 0.558 38.534 38.000 -0.039 0.000 1.386 493 I HN 0.229 nan 8.210 nan 0.000 0.475 494 L N 3.482 124.703 121.223 -0.004 0.000 2.415 494 L HA 0.775 5.115 4.340 0.000 0.000 0.256 494 L C -1.251 175.623 176.870 0.007 0.000 1.010 494 L CA -0.762 54.080 54.840 0.004 0.000 0.826 494 L CB 1.487 43.550 42.059 0.006 0.000 1.405 494 L HN 0.072 nan 8.230 nan 0.000 0.410 495 D N -0.007 120.401 120.400 0.012 0.000 2.433 495 D HA 0.524 5.164 4.640 0.000 0.000 0.236 495 D C -2.752 173.559 176.300 0.017 0.000 1.026 495 D CA -1.394 52.615 54.000 0.016 0.000 0.884 495 D CB 2.081 42.892 40.800 0.019 0.000 1.384 495 D HN 0.382 nan 8.370 nan 0.000 0.477 496 P HA 0.071 nan 4.420 nan 0.000 0.267 496 P C 0.829 178.141 177.300 0.020 0.000 1.205 496 P CA 0.030 63.142 63.100 0.020 0.000 0.765 496 P CB 0.494 32.208 31.700 0.023 0.000 0.828 497 T N 2.588 117.152 114.554 0.017 0.000 2.680 497 T HA -0.271 4.079 4.350 0.000 0.000 0.268 497 T C 1.609 176.320 174.700 0.018 0.000 1.033 497 T CA 1.651 63.761 62.100 0.016 0.000 1.152 497 T CB -0.429 68.446 68.868 0.013 0.000 0.859 497 T HN 0.496 nan 8.240 nan 0.000 0.452 498 K N 0.741 121.152 120.400 0.018 0.000 2.113 498 K HA -0.119 4.201 4.320 0.000 0.000 0.208 498 K C 2.369 178.989 176.600 0.034 0.000 1.047 498 K CA 1.469 57.769 56.287 0.022 0.000 0.928 498 K CB -0.326 32.187 32.500 0.021 0.000 0.716 498 K HN 0.367 nan 8.250 nan 0.000 0.446 499 V N -0.670 119.265 119.914 0.035 0.000 2.591 499 V HA -0.105 4.015 4.120 0.000 0.000 0.249 499 V C 1.594 177.714 176.094 0.044 0.000 1.053 499 V CA 2.144 64.471 62.300 0.045 0.000 1.068 499 V CB -0.261 31.587 31.823 0.042 0.000 0.689 499 V HN 0.297 nan 8.190 nan 0.000 0.462 500 T N 0.498 115.072 114.554 0.033 0.000 2.896 500 T HA -0.055 4.295 4.350 0.000 0.000 0.263 500 T C 1.920 176.636 174.700 0.026 0.000 1.050 500 T CA 1.731 63.849 62.100 0.030 0.000 1.140 500 T CB -0.273 68.609 68.868 0.024 0.000 0.877 500 T HN 0.617 nan 8.240 nan 0.000 0.457 501 R N 1.091 121.602 120.500 0.019 0.000 2.073 501 R HA -0.071 4.269 4.340 0.000 0.000 0.234 501 R C 2.423 178.723 176.300 -0.001 0.000 1.134 501 R CA 1.795 57.897 56.100 0.003 0.000 0.952 501 R CB -0.325 29.972 30.300 -0.004 0.000 0.850 501 R HN 0.217 nan 8.270 nan 0.000 0.433 502 S N 0.721 116.438 115.700 0.030 0.000 2.368 502 S HA -0.086 4.384 4.470 0.000 0.000 0.224 502 S C 2.069 176.757 174.600 0.146 0.000 1.029 502 S CA 1.015 59.258 58.200 0.071 0.000 0.988 502 S CB -0.271 63.028 63.200 0.166 0.000 0.838 502 S HN 0.569 nan 8.310 nan 0.000 0.462 503 A N 1.924 124.817 122.820 0.121 0.000 1.892 503 A HA -0.093 4.227 4.320 0.000 0.000 0.218 503 A C 2.115 179.752 177.584 0.088 0.000 1.188 503 A CA 1.339 53.447 52.037 0.118 0.000 0.631 503 A CB -0.902 18.143 19.000 0.074 0.000 0.822 503 A HN 0.449 nan 8.150 nan 0.000 0.447 504 L N -0.794 120.455 121.223 0.044 0.000 2.017 504 L HA -0.270 4.070 4.340 0.000 0.000 0.208 504 L C 2.818 179.686 176.870 -0.003 0.000 1.073 504 L CA 2.283 57.136 54.840 0.021 0.000 0.745 504 L CB -0.613 41.450 42.059 0.007 0.000 0.894 504 L HN 0.561 nan 8.230 nan 0.000 0.432 505 Q N -1.345 118.421 119.800 -0.056 0.000 2.046 505 Q HA -0.235 4.105 4.340 0.000 0.000 0.200 505 Q C 2.048 177.959 176.000 -0.148 0.000 0.975 505 Q CA 1.917 57.634 55.803 -0.144 0.000 0.836 505 Q CB -0.282 28.299 28.738 -0.262 0.000 0.896 505 Q HN 0.451 nan 8.270 nan 0.000 0.428 506 Y N 0.529 120.831 120.300 0.005 0.000 2.128 506 Y HA -0.260 4.290 4.550 0.000 0.000 0.284 506 Y C 2.478 178.381 175.900 0.005 0.000 1.154 506 Y CA 1.077 59.180 58.100 0.004 0.000 1.149 506 Y CB -0.917 37.545 38.460 0.004 0.000 0.976 506 Y HN 0.154 nan 8.280 nan 0.000 0.505 507 A N 0.193 123.108 122.820 0.159 0.000 1.903 507 A HA -0.274 4.046 4.320 0.000 0.000 0.219 507 A C 2.456 180.075 177.584 0.059 0.000 1.191 507 A CA 2.524 54.614 52.037 0.089 0.000 0.638 507 A CB -1.356 17.682 19.000 0.063 0.000 0.823 507 A HN 0.446 nan 8.150 nan 0.000 0.451 508 A N -1.291 121.552 122.820 0.037 0.000 2.014 508 A HA 0.027 4.347 4.320 0.000 0.000 0.218 508 A C 2.415 180.011 177.584 0.021 0.000 1.163 508 A CA 1.931 53.979 52.037 0.019 0.000 0.652 508 A CB -0.754 18.246 19.000 -0.000 0.000 0.808 508 A HN 0.621 nan 8.150 nan 0.000 0.449 509 S N 0.028 115.746 115.700 0.029 0.000 2.338 509 S HA -0.151 4.319 4.470 0.000 0.000 0.218 509 S C 2.037 176.668 174.600 0.052 0.000 1.032 509 S CA 2.117 60.340 58.200 0.037 0.000 0.999 509 S CB -0.810 62.423 63.200 0.055 0.000 0.905 509 S HN 0.722 nan 8.310 nan 0.000 0.439 510 V N 1.561 121.517 119.914 0.071 0.000 2.343 510 V HA 0.017 4.137 4.120 0.000 0.000 0.247 510 V C 2.837 178.954 176.094 0.038 0.000 1.051 510 V CA 1.601 63.933 62.300 0.052 0.000 1.036 510 V CB -1.996 29.856 31.823 0.048 0.000 0.654 510 V HN 0.560 nan 8.190 nan 0.000 0.451 511 A N 1.591 124.433 122.820 0.036 0.000 1.917 511 A HA -0.105 4.215 4.320 0.000 0.000 0.219 511 A C 2.407 180.004 177.584 0.022 0.000 1.182 511 A CA 2.433 54.486 52.037 0.027 0.000 0.633 511 A CB -1.516 17.498 19.000 0.024 0.000 0.819 511 A HN 0.664 nan 8.150 nan 0.000 0.448 512 G N -0.452 108.361 108.800 0.021 0.000 2.402 512 G HA2 -0.126 3.834 3.960 0.000 0.000 0.216 512 G HA3 -0.126 3.834 3.960 0.000 0.000 0.216 512 G C 1.560 176.471 174.900 0.018 0.000 1.162 512 G CA 0.935 46.046 45.100 0.017 0.000 0.777 512 G HN 0.435 nan 8.290 nan 0.000 0.539 513 L N -0.396 120.840 121.223 0.022 0.000 2.042 513 L HA -0.080 4.260 4.340 0.000 0.000 0.210 513 L C 2.901 179.783 176.870 0.021 0.000 1.076 513 L CA 1.555 56.408 54.840 0.022 0.000 0.749 513 L CB -0.295 41.779 42.059 0.025 0.000 0.893 513 L HN 0.295 nan 8.230 nan 0.000 0.432 514 M N -0.332 119.281 119.600 0.022 0.000 2.156 514 M HA -0.165 4.315 4.480 0.000 0.000 0.264 514 M C 2.162 178.473 176.300 0.018 0.000 1.067 514 M CA 1.652 56.964 55.300 0.021 0.000 1.131 514 M CB 0.016 32.629 32.600 0.022 0.000 1.368 514 M HN 0.098 nan 8.290 nan 0.000 0.416 515 I N -0.026 120.555 120.570 0.017 0.000 2.567 515 I HA -0.212 3.958 4.170 0.000 0.000 0.257 515 I C 1.063 177.190 176.117 0.016 0.000 1.184 515 I CA 1.422 62.732 61.300 0.016 0.000 1.451 515 I CB -0.297 37.712 38.000 0.014 0.000 1.089 515 I HN 0.441 nan 8.210 nan 0.000 0.441 516 T N -3.670 110.894 114.554 0.017 0.000 3.266 516 T HA 0.202 4.553 4.350 0.000 0.000 0.278 516 T C 0.417 175.130 174.700 0.021 0.000 1.010 516 T CA -0.349 61.762 62.100 0.019 0.000 0.909 516 T CB -0.261 68.617 68.868 0.017 0.000 1.122 516 T HN -0.111 nan 8.240 nan 0.000 0.536 517 T N 2.397 116.963 114.554 0.020 0.000 2.771 517 T HA 0.294 4.644 4.350 0.000 0.000 0.291 517 T C 0.671 175.386 174.700 0.024 0.000 0.954 517 T CA -0.460 61.651 62.100 0.019 0.000 1.045 517 T CB 1.460 70.337 68.868 0.015 0.000 0.917 517 T HN 0.099 nan 8.240 nan 0.000 0.484 518 E N 0.685 120.906 120.200 0.035 0.000 2.431 518 E HA 0.160 4.510 4.350 0.000 0.000 0.200 518 E C 0.181 176.805 176.600 0.039 0.000 0.995 518 E CA 0.146 56.587 56.400 0.068 0.000 0.915 518 E CB 0.598 30.367 29.700 0.115 0.000 0.930 518 E HN 0.553 nan 8.360 nan 0.000 0.496 519 C N 0.463 119.736 119.300 -0.045 0.000 2.880 519 C HA 0.679 5.139 4.460 0.000 0.000 0.320 519 C C -1.408 173.493 174.990 -0.148 0.000 1.176 519 C CA -0.611 58.276 59.018 -0.219 0.000 1.390 519 C CB 0.387 27.988 27.740 -0.231 0.000 1.846 519 C HN 0.122 nan 8.230 nan 0.000 0.478 520 M N 5.211 124.711 119.600 -0.167 0.000 2.326 520 M HA 0.571 5.051 4.480 0.000 0.000 0.292 520 M C -1.118 175.232 176.300 0.083 0.000 1.081 520 M CA -0.501 54.814 55.300 0.024 0.000 0.919 520 M CB 2.145 34.863 32.600 0.197 0.000 1.634 520 M HN 0.372 nan 8.290 nan 0.000 0.451 521 V N 1.309 121.248 119.914 0.041 0.000 2.495 521 V HA 0.849 4.969 4.120 0.000 0.000 0.298 521 V C -0.258 175.798 176.094 -0.064 0.000 1.031 521 V CA -0.371 61.934 62.300 0.009 0.000 0.871 521 V CB 1.937 33.748 31.823 -0.020 0.000 0.988 521 V HN 0.956 nan 8.190 nan 0.000 0.432 522 T N 1.876 116.355 114.554 -0.126 0.000 2.739 522 T HA 0.368 4.718 4.350 0.000 0.000 0.303 522 T C -1.772 172.830 174.700 -0.163 0.000 1.389 522 T CA -0.538 61.432 62.100 -0.217 0.000 1.001 522 T CB 1.983 70.567 68.868 -0.473 0.000 1.436 522 T HN 0.630 nan 8.240 nan 0.000 0.500 523 D N 1.573 121.884 120.400 -0.149 0.000 2.304 523 D HA 0.376 5.016 4.640 0.000 0.000 0.247 523 D C 0.104 176.350 176.300 -0.090 0.000 1.089 523 D CA -0.134 53.812 54.000 -0.091 0.000 0.910 523 D CB 0.727 41.483 40.800 -0.073 0.000 1.199 523 D HN 0.414 nan 8.370 nan 0.000 0.426 524 L N 3.659 124.856 121.223 -0.044 0.000 2.455 524 L HA 0.135 4.475 4.340 0.000 0.000 0.272 524 L C -1.177 175.676 176.870 -0.028 0.000 1.174 524 L CA -1.272 53.555 54.840 -0.022 0.000 0.869 524 L CB 0.082 42.141 42.059 0.001 0.000 1.130 524 L HN 0.314 nan 8.230 nan 0.000 0.474 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.086 63.100 -0.023 0.000 0.800 525 P CB 0.000 31.695 31.700 -0.008 0.000 0.726