REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2nwc_1_C DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE 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 0.000 177.582 177.584 -0.003 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 2 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 3 A N 3.085 125.905 122.820 0.001 0.000 2.462 3 A HA 0.612 4.934 4.320 0.002 0.000 0.243 3 A C 0.298 177.885 177.584 0.005 0.000 1.076 3 A CA 0.155 52.196 52.037 0.008 0.000 0.773 3 A CB 0.228 19.236 19.000 0.013 0.000 1.010 3 A HN 0.627 nan 8.150 nan 0.000 0.493 4 K N 1.168 121.576 120.400 0.014 0.000 2.221 4 K HA 0.406 4.728 4.320 0.002 0.000 0.243 4 K C -1.323 175.302 176.600 0.041 0.000 0.968 4 K CA -0.704 55.589 56.287 0.011 0.000 0.846 4 K CB 1.638 34.142 32.500 0.007 0.000 1.141 4 K HN 0.699 nan 8.250 nan 0.000 0.434 5 D N 1.351 121.783 120.400 0.053 0.000 2.349 5 D HA 0.294 4.935 4.640 0.002 0.000 0.232 5 D C -1.190 175.266 176.300 0.259 0.000 1.071 5 D CA -0.523 53.576 54.000 0.165 0.000 0.832 5 D CB 1.046 41.970 40.800 0.207 0.000 1.086 5 D HN 0.054 nan 8.370 nan 0.000 0.504 6 V N 4.448 124.463 119.914 0.168 0.000 2.448 6 V HA 0.461 4.582 4.120 0.002 0.000 0.295 6 V C 0.266 176.268 176.094 -0.154 0.000 1.025 6 V CA -0.762 61.541 62.300 0.006 0.000 0.859 6 V CB 1.706 33.487 31.823 -0.070 0.000 0.988 6 V HN 0.345 nan 8.190 nan 0.000 0.431 7 K N 3.530 123.719 120.400 -0.352 0.000 2.318 7 K HA 0.755 5.076 4.320 0.002 0.000 0.249 7 K C -1.579 174.682 176.600 -0.565 0.000 0.942 7 K CA -0.515 55.504 56.287 -0.446 0.000 0.808 7 K CB 2.461 34.536 32.500 -0.708 0.000 1.189 7 K HN 0.460 nan 8.250 nan 0.000 0.428 8 F N -0.196 119.703 119.950 -0.086 0.000 2.598 8 F HA 0.408 4.936 4.527 0.002 0.000 0.327 8 F C 1.295 177.066 175.800 -0.048 0.000 1.057 8 F CA -0.000 57.973 58.000 -0.044 0.000 0.957 8 F CB 1.559 40.542 39.000 -0.028 0.000 1.278 8 F HN 0.818 nan 8.300 nan 0.000 0.484 9 G N 1.667 110.575 108.800 0.181 0.000 2.660 9 G HA2 -0.468 3.494 3.960 0.002 0.000 0.338 9 G HA3 -0.468 3.494 3.960 0.002 0.000 0.338 9 G C 1.306 176.230 174.900 0.040 0.000 1.336 9 G CA 0.984 46.139 45.100 0.093 0.000 0.990 9 G HN 0.869 nan 8.290 nan 0.000 0.537 10 N N 0.377 119.093 118.700 0.028 0.000 2.061 10 N HA -0.213 4.529 4.740 0.002 0.000 0.193 10 N C 1.871 177.373 175.510 -0.012 0.000 1.030 10 N CA 2.383 55.437 53.050 0.007 0.000 0.856 10 N CB -0.333 38.158 38.487 0.006 0.000 1.023 10 N HN 0.578 nan 8.380 nan 0.000 0.424 11 D N 0.462 120.850 120.400 -0.019 0.000 2.116 11 D HA -0.128 4.513 4.640 0.002 0.000 0.193 11 D C 1.871 178.101 176.300 -0.117 0.000 0.998 11 D CA 1.655 55.617 54.000 -0.063 0.000 0.836 11 D CB -0.426 40.337 40.800 -0.062 0.000 0.951 11 D HN 0.420 nan 8.370 nan 0.000 0.449 12 A N 0.854 123.605 122.820 -0.115 0.000 1.883 12 A HA -0.210 4.111 4.320 0.002 0.000 0.217 12 A C 2.250 179.798 177.584 -0.060 0.000 1.186 12 A CA 2.373 54.325 52.037 -0.141 0.000 0.624 12 A CB -0.683 18.255 19.000 -0.103 0.000 0.822 12 A HN 0.508 nan 8.150 nan 0.000 0.444 13 R N 0.134 120.618 120.500 -0.026 0.000 2.193 13 R HA 0.012 4.354 4.340 0.002 0.000 0.213 13 R C 1.701 178.000 176.300 -0.001 0.000 1.055 13 R CA 1.297 57.395 56.100 -0.002 0.000 0.995 13 R CB -1.017 29.288 30.300 0.007 0.000 0.893 13 R HN 0.462 nan 8.270 nan 0.000 0.459 14 V N -0.545 119.362 119.914 -0.013 0.000 2.427 14 V HA -0.095 4.026 4.120 0.002 0.000 0.248 14 V C 1.963 178.056 176.094 -0.001 0.000 1.051 14 V CA 1.142 63.438 62.300 -0.007 0.000 1.048 14 V CB -0.442 31.374 31.823 -0.012 0.000 0.666 14 V HN 0.083 nan 8.190 nan 0.000 0.456 15 K N -0.077 120.316 120.400 -0.012 0.000 2.057 15 K HA -0.085 4.236 4.320 0.002 0.000 0.207 15 K C 2.175 178.806 176.600 0.052 0.000 1.049 15 K CA 2.207 58.506 56.287 0.020 0.000 0.931 15 K CB -0.520 31.984 32.500 0.006 0.000 0.714 15 K HN 0.546 nan 8.250 nan 0.000 0.440 16 M N 0.524 120.152 119.600 0.047 0.000 2.086 16 M HA -0.183 4.298 4.480 0.002 0.000 0.261 16 M C 2.134 178.455 176.300 0.036 0.000 1.067 16 M CA 1.178 56.509 55.300 0.052 0.000 1.116 16 M CB -0.146 32.480 32.600 0.044 0.000 1.348 16 M HN 0.059 nan 8.290 nan 0.000 0.407 17 L N 0.194 121.433 121.223 0.026 0.000 2.046 17 L HA -0.203 4.139 4.340 0.002 0.000 0.208 17 L C 2.348 179.231 176.870 0.021 0.000 1.077 17 L CA 1.969 56.821 54.840 0.021 0.000 0.747 17 L CB -0.710 41.358 42.059 0.015 0.000 0.896 17 L HN 0.257 nan 8.230 nan 0.000 0.432 18 R N -0.600 119.913 120.500 0.022 0.000 2.105 18 R HA -0.113 4.228 4.340 0.002 0.000 0.239 18 R C 2.193 178.508 176.300 0.025 0.000 1.135 18 R CA 1.499 57.612 56.100 0.022 0.000 0.967 18 R CB -0.847 29.468 30.300 0.024 0.000 0.861 18 R HN 0.542 nan 8.270 nan 0.000 0.442 19 G N -0.119 108.700 108.800 0.032 0.000 2.418 19 G HA2 -0.244 3.718 3.960 0.002 0.000 0.217 19 G HA3 -0.244 3.718 3.960 0.002 0.000 0.217 19 G C 1.371 176.285 174.900 0.022 0.000 1.158 19 G CA 0.949 46.068 45.100 0.031 0.000 0.771 19 G HN 0.363 nan 8.290 nan 0.000 0.545 20 V N -0.165 119.762 119.914 0.022 0.000 2.667 20 V HA -0.059 4.063 4.120 0.002 0.000 0.252 20 V C 2.193 178.296 176.094 0.016 0.000 1.065 20 V CA 2.080 64.391 62.300 0.018 0.000 1.083 20 V CB -0.517 31.317 31.823 0.020 0.000 0.692 20 V HN 0.173 nan 8.190 nan 0.000 0.468 21 N N 1.107 119.817 118.700 0.016 0.000 2.166 21 N HA -0.098 4.643 4.740 0.002 0.000 0.186 21 N C 1.787 177.304 175.510 0.012 0.000 1.019 21 N CA 1.855 54.913 53.050 0.014 0.000 0.856 21 N CB -0.577 37.918 38.487 0.014 0.000 0.993 21 N HN 0.520 nan 8.380 nan 0.000 0.426 22 V N 1.263 121.184 119.914 0.013 0.000 2.307 22 V HA -0.167 3.954 4.120 0.002 0.000 0.245 22 V C 2.364 178.463 176.094 0.008 0.000 1.045 22 V CA 1.042 63.348 62.300 0.011 0.000 1.024 22 V CB -0.618 31.212 31.823 0.012 0.000 0.651 22 V HN 0.191 nan 8.190 nan 0.000 0.449 23 L N 1.092 122.320 121.223 0.009 0.000 1.976 23 L HA -0.101 4.241 4.340 0.002 0.000 0.209 23 L C 2.477 179.350 176.870 0.006 0.000 1.071 23 L CA 2.553 57.397 54.840 0.006 0.000 0.746 23 L CB -1.037 41.025 42.059 0.006 0.000 0.890 23 L HN 0.205 nan 8.230 nan 0.000 0.432 24 A N -0.793 122.032 122.820 0.008 0.000 1.902 24 A HA -0.228 4.093 4.320 0.002 0.000 0.217 24 A C 1.985 179.574 177.584 0.008 0.000 1.181 24 A CA 1.934 53.976 52.037 0.009 0.000 0.623 24 A CB -0.984 18.023 19.000 0.011 0.000 0.818 24 A HN 0.579 nan 8.150 nan 0.000 0.443 25 D N -0.004 120.400 120.400 0.008 0.000 2.178 25 D HA -0.017 4.624 4.640 0.002 0.000 0.201 25 D C 2.096 178.400 176.300 0.005 0.000 0.980 25 D CA 1.376 55.380 54.000 0.007 0.000 0.842 25 D CB -0.326 40.479 40.800 0.008 0.000 0.948 25 D HN 0.451 nan 8.370 nan 0.000 0.472 26 A N 0.104 122.926 122.820 0.004 0.000 1.968 26 A HA -0.042 4.279 4.320 0.002 0.000 0.217 26 A C 2.383 179.967 177.584 0.001 0.000 1.169 26 A CA 0.772 52.810 52.037 0.002 0.000 0.638 26 A CB -0.269 18.732 19.000 0.001 0.000 0.812 26 A HN 0.157 nan 8.150 nan 0.000 0.446 27 V N 0.832 120.747 119.914 0.001 0.000 2.685 27 V HA -0.125 3.996 4.120 0.002 0.000 0.244 27 V C 2.487 178.582 176.094 0.002 0.000 1.054 27 V CA 1.758 64.058 62.300 -0.000 0.000 1.076 27 V CB -0.269 31.553 31.823 -0.001 0.000 0.725 27 V HN 0.796 nan 8.190 nan 0.000 0.467 28 K N 1.401 121.804 120.400 0.005 0.000 2.280 28 K HA -0.110 4.212 4.320 0.002 0.000 0.202 28 K C 1.781 178.385 176.600 0.007 0.000 1.047 28 K CA 1.907 58.198 56.287 0.007 0.000 0.942 28 K CB -0.586 31.920 32.500 0.010 0.000 0.739 28 K HN 0.491 nan 8.250 nan 0.000 0.457 29 V N 0.099 120.016 119.914 0.005 0.000 3.141 29 V HA -0.099 4.022 4.120 0.002 0.000 0.265 29 V C 2.104 178.200 176.094 0.003 0.000 1.126 29 V CA 1.642 63.945 62.300 0.005 0.000 1.141 29 V CB -1.051 30.774 31.823 0.004 0.000 0.743 29 V HN 0.522 nan 8.190 nan 0.000 0.492 30 T N -2.477 112.078 114.554 0.001 0.000 3.081 30 T HA 0.262 4.613 4.350 0.002 0.000 0.250 30 T C 0.518 175.218 174.700 -0.000 0.000 1.100 30 T CA -0.128 61.971 62.100 -0.002 0.000 1.038 30 T CB -0.184 68.681 68.868 -0.005 0.000 0.962 30 T HN 0.326 nan 8.240 nan 0.000 0.516 31 L N 2.575 123.800 121.223 0.004 0.000 2.367 31 L HA 0.571 4.912 4.340 0.002 0.000 0.275 31 L C 0.926 177.800 176.870 0.008 0.000 1.129 31 L CA 1.469 56.313 54.840 0.006 0.000 0.839 31 L CB -0.269 41.797 42.059 0.011 0.000 1.133 31 L HN 0.694 nan 8.230 nan 0.000 0.453 32 G N 4.420 113.222 108.800 0.004 0.000 2.757 32 G HA2 -0.179 3.782 3.960 0.002 0.000 0.638 32 G HA3 -0.179 3.782 3.960 0.002 0.000 0.638 32 G C -2.025 172.870 174.900 -0.008 0.000 1.344 32 G CA -0.397 44.704 45.100 0.001 0.000 0.855 32 G HN 0.504 nan 8.290 nan 0.000 0.537 33 P HA 0.040 nan 4.420 nan 0.000 0.217 33 P C 1.253 178.544 177.300 -0.016 0.000 1.150 33 P CA 1.444 64.529 63.100 -0.025 0.000 0.832 33 P CB 0.083 31.756 31.700 -0.045 0.000 0.787 34 K N 0.152 120.549 120.400 -0.006 0.000 2.684 34 K HA 0.232 4.553 4.320 0.002 0.000 0.215 34 K C 0.772 177.374 176.600 0.003 0.000 1.073 34 K CA -0.299 55.987 56.287 -0.000 0.000 1.197 34 K CB -0.083 32.421 32.500 0.008 0.000 0.955 34 K HN 0.087 nan 8.250 nan 0.000 0.473 35 G N 1.407 110.207 108.800 -0.000 0.000 2.432 35 G HA2 -0.003 3.959 3.960 0.002 0.000 0.239 35 G HA3 -0.003 3.959 3.960 0.002 0.000 0.239 35 G C 0.181 175.081 174.900 -0.001 0.000 1.291 35 G CA -0.406 44.695 45.100 0.000 0.000 0.863 35 G HN 0.177 nan 8.290 nan 0.000 0.560 36 R N 1.135 121.635 120.500 -0.000 0.000 2.546 36 R HA 0.180 4.522 4.340 0.002 0.000 0.266 36 R C 0.066 176.364 176.300 -0.004 0.000 1.086 36 R CA -0.663 55.436 56.100 -0.001 0.000 1.160 36 R CB 0.422 30.722 30.300 0.001 0.000 1.138 36 R HN 0.634 nan 8.270 nan 0.000 0.567 37 N N -0.773 117.924 118.700 -0.005 0.000 2.529 37 N HA 0.250 4.991 4.740 0.002 0.000 0.278 37 N C -0.911 174.595 175.510 -0.006 0.000 1.146 37 N CA -0.333 52.712 53.050 -0.007 0.000 0.980 37 N CB 1.221 39.703 38.487 -0.008 0.000 1.124 37 N HN 0.103 nan 8.380 nan 0.000 0.458 38 V N 2.149 122.059 119.914 -0.008 0.000 2.495 38 V HA 0.341 4.462 4.120 0.002 0.000 0.298 38 V C -0.313 175.776 176.094 -0.009 0.000 1.031 38 V CA -0.818 61.478 62.300 -0.007 0.000 0.871 38 V CB 1.771 33.590 31.823 -0.007 0.000 0.988 38 V HN 0.325 nan 8.190 nan 0.000 0.432 39 V N 6.407 126.316 119.914 -0.008 0.000 2.370 39 V HA 0.455 4.576 4.120 0.002 0.000 0.279 39 V C -0.168 175.921 176.094 -0.009 0.000 1.029 39 V CA -0.393 61.901 62.300 -0.010 0.000 0.870 39 V CB 1.356 33.173 31.823 -0.009 0.000 0.984 39 V HN 0.611 nan 8.190 nan 0.000 0.451 40 L N 3.860 125.076 121.223 -0.012 0.000 2.305 40 L HA 0.499 4.840 4.340 0.002 0.000 0.284 40 L C -0.371 176.492 176.870 -0.011 0.000 1.013 40 L CA -0.552 54.282 54.840 -0.010 0.000 0.819 40 L CB 1.795 43.847 42.059 -0.012 0.000 1.227 40 L HN 0.539 nan 8.230 nan 0.000 0.417 41 D N 3.975 124.373 120.400 -0.005 0.000 2.325 41 D HA 0.121 4.762 4.640 0.002 0.000 0.251 41 D C -0.180 176.123 176.300 0.005 0.000 1.196 41 D CA -0.032 53.967 54.000 -0.002 0.000 0.866 41 D CB 0.851 41.655 40.800 0.007 0.000 1.101 41 D HN 0.254 nan 8.370 nan 0.000 0.476 42 K N 1.332 121.727 120.400 -0.008 0.000 2.270 42 K HA 0.061 4.383 4.320 0.002 0.000 0.276 42 K C 1.434 178.073 176.600 0.065 0.000 1.023 42 K CA -0.151 56.139 56.287 0.006 0.000 0.955 42 K CB 0.832 33.286 32.500 -0.075 0.000 0.975 42 K HN 0.466 nan 8.250 nan 0.000 0.471 43 S N 3.063 118.849 115.700 0.143 0.000 2.462 43 S HA -0.156 4.315 4.470 0.002 0.000 0.243 43 S C 0.377 175.164 174.600 0.312 0.000 1.003 43 S CA 0.690 59.004 58.200 0.189 0.000 0.970 43 S CB -0.772 62.530 63.200 0.170 0.000 0.762 43 S HN 0.570 nan 8.310 nan 0.000 0.510 44 F N -3.371 116.577 119.950 -0.004 0.000 2.703 44 F HA 0.667 5.195 4.527 0.002 0.000 0.308 44 F C 0.202 176.000 175.800 -0.003 0.000 1.126 44 F CA -0.564 57.434 58.000 -0.004 0.000 0.959 44 F CB 0.793 39.790 39.000 -0.004 0.000 1.297 44 F HN 0.382 nan 8.300 nan 0.000 0.441 45 G N 0.976 109.671 108.800 -0.175 0.000 2.484 45 G HA2 0.378 4.339 3.960 0.002 0.000 0.225 45 G HA3 0.378 4.339 3.960 0.002 0.000 0.225 45 G C -0.957 173.862 174.900 -0.135 0.000 1.250 45 G CA -0.106 44.841 45.100 -0.255 0.000 0.926 45 G HN 2.007 nan 8.290 nan 0.000 0.581 46 A N 0.785 123.522 122.820 -0.138 0.000 2.312 46 A HA 0.880 5.201 4.320 0.002 0.000 0.328 46 A C -1.837 175.699 177.584 -0.080 0.000 1.158 46 A CA -0.627 51.359 52.037 -0.084 0.000 0.821 46 A CB 0.652 19.610 19.000 -0.070 0.000 1.170 46 A HN 0.728 nan 8.150 nan 0.000 0.490 47 P HA 0.332 nan 4.420 nan 0.000 0.274 47 P C -0.371 176.903 177.300 -0.043 0.000 1.237 47 P CA -0.057 63.018 63.100 -0.042 0.000 0.793 47 P CB 0.473 32.158 31.700 -0.026 0.000 0.977 48 T N 1.929 116.461 114.554 -0.037 0.000 2.771 48 T HA 0.444 4.795 4.350 0.002 0.000 0.291 48 T C 0.307 174.992 174.700 -0.025 0.000 0.954 48 T CA -0.149 61.931 62.100 -0.034 0.000 1.045 48 T CB -0.143 68.706 68.868 -0.032 0.000 0.917 48 T HN 0.173 nan 8.240 nan 0.000 0.484 49 I N 2.918 123.474 120.570 -0.024 0.000 2.339 49 I HA 0.477 4.648 4.170 0.002 0.000 0.290 49 I C 0.508 176.614 176.117 -0.018 0.000 0.994 49 I CA -0.373 60.916 61.300 -0.019 0.000 1.191 49 I CB 1.649 39.639 38.000 -0.018 0.000 1.343 49 I HN 0.487 nan 8.210 nan 0.000 0.458 50 T N 4.466 119.010 114.554 -0.016 0.000 2.900 50 T HA 0.383 4.734 4.350 0.002 0.000 0.303 50 T C -0.025 174.667 174.700 -0.014 0.000 1.142 50 T CA -0.626 61.465 62.100 -0.017 0.000 1.007 50 T CB 1.553 70.410 68.868 -0.018 0.000 1.156 50 T HN 0.632 nan 8.240 nan 0.000 0.490 51 K N 1.478 121.869 120.400 -0.015 0.000 2.455 51 K HA 0.200 4.521 4.320 0.002 0.000 0.206 51 K C -0.433 176.158 176.600 -0.014 0.000 1.027 51 K CA -0.347 55.932 56.287 -0.013 0.000 1.113 51 K CB 0.500 32.993 32.500 -0.012 0.000 0.850 51 K HN 0.374 nan 8.250 nan 0.000 0.503 52 D N 0.541 120.931 120.400 -0.017 0.000 2.380 52 D HA 0.082 4.724 4.640 0.002 0.000 0.230 52 D C 1.055 177.344 176.300 -0.018 0.000 1.154 52 D CA -0.063 53.925 54.000 -0.020 0.000 0.859 52 D CB 1.404 42.190 40.800 -0.024 0.000 1.045 52 D HN 0.278 nan 8.370 nan 0.000 0.495 53 G N 2.625 111.415 108.800 -0.016 0.000 2.462 53 G HA2 -0.194 3.767 3.960 0.002 0.000 0.220 53 G HA3 -0.194 3.767 3.960 0.002 0.000 0.220 53 G C 1.573 176.462 174.900 -0.018 0.000 1.121 53 G CA 0.451 45.542 45.100 -0.014 0.000 0.758 53 G HN 0.479 nan 8.290 nan 0.000 0.559 54 V N 0.969 120.869 119.914 -0.024 0.000 2.323 54 V HA -0.151 3.970 4.120 0.002 0.000 0.244 54 V C 3.065 179.142 176.094 -0.027 0.000 1.041 54 V CA 2.167 64.449 62.300 -0.029 0.000 1.025 54 V CB -0.410 31.391 31.823 -0.037 0.000 0.656 54 V HN 0.370 nan 8.190 nan 0.000 0.451 55 S N -0.090 115.595 115.700 -0.025 0.000 2.382 55 S HA -0.145 4.326 4.470 0.002 0.000 0.228 55 S C 1.985 176.574 174.600 -0.019 0.000 1.027 55 S CA 1.378 59.564 58.200 -0.023 0.000 0.991 55 S CB -0.148 63.039 63.200 -0.023 0.000 0.823 55 S HN 0.387 nan 8.310 nan 0.000 0.469 56 V N 2.055 121.959 119.914 -0.016 0.000 2.307 56 V HA -0.154 3.967 4.120 0.002 0.000 0.245 56 V C 2.712 178.799 176.094 -0.012 0.000 1.045 56 V CA 1.617 63.909 62.300 -0.012 0.000 1.024 56 V CB -1.279 30.538 31.823 -0.010 0.000 0.651 56 V HN 0.532 nan 8.190 nan 0.000 0.449 57 A N 0.059 122.871 122.820 -0.014 0.000 1.908 57 A HA -0.299 4.022 4.320 0.002 0.000 0.218 57 A C 2.405 179.979 177.584 -0.016 0.000 1.181 57 A CA 2.261 54.289 52.037 -0.015 0.000 0.627 57 A CB -0.659 18.330 19.000 -0.018 0.000 0.818 57 A HN 0.476 nan 8.150 nan 0.000 0.445 58 R N -0.498 119.990 120.500 -0.020 0.000 2.117 58 R HA -0.164 4.177 4.340 0.002 0.000 0.243 58 R C 1.626 177.916 176.300 -0.017 0.000 1.143 58 R CA 1.684 57.770 56.100 -0.023 0.000 0.968 58 R CB -0.148 30.136 30.300 -0.027 0.000 0.863 58 R HN 0.501 nan 8.270 nan 0.000 0.444 59 E N 0.229 120.422 120.200 -0.012 0.000 2.358 59 E HA -0.042 4.309 4.350 0.002 0.000 0.195 59 E C 0.316 176.914 176.600 -0.004 0.000 1.010 59 E CA 0.236 56.632 56.400 -0.006 0.000 0.856 59 E CB 0.156 29.853 29.700 -0.005 0.000 0.795 59 E HN 0.268 nan 8.360 nan 0.000 0.504 60 I N 2.309 122.876 120.570 -0.005 0.000 2.505 60 I HA 0.092 4.263 4.170 0.002 0.000 0.287 60 I C 0.400 176.516 176.117 -0.003 0.000 1.104 60 I CA 0.412 61.711 61.300 -0.003 0.000 1.387 60 I CB -0.119 37.880 38.000 -0.002 0.000 1.404 60 I HN -0.038 nan 8.210 nan 0.000 0.528 61 E N 7.038 127.238 120.200 -0.001 0.000 2.321 61 E HA 0.549 4.900 4.350 0.002 0.000 0.278 61 E C -1.772 174.828 176.600 0.000 0.000 0.902 61 E CA -0.612 55.787 56.400 -0.002 0.000 0.758 61 E CB 2.228 31.927 29.700 -0.002 0.000 1.213 61 E HN 0.428 nan 8.360 nan 0.000 0.426 62 L N 3.087 124.310 121.223 -0.000 0.000 2.333 62 L HA 0.408 4.749 4.340 0.002 0.000 0.269 62 L C 1.384 178.254 176.870 0.001 0.000 1.010 62 L CA -0.577 54.265 54.840 0.004 0.000 0.818 62 L CB 1.734 43.799 42.059 0.011 0.000 1.306 62 L HN 0.732 nan 8.230 nan 0.000 0.430 63 E N 0.571 120.774 120.200 0.006 0.000 2.046 63 E HA -0.160 4.191 4.350 0.002 0.000 0.190 63 E C 0.420 177.023 176.600 0.005 0.000 0.982 63 E CA 0.543 56.946 56.400 0.004 0.000 0.800 63 E CB 0.279 29.984 29.700 0.009 0.000 0.756 63 E HN 0.640 nan 8.360 nan 0.000 0.449 64 D N 0.746 121.160 120.400 0.024 0.000 2.412 64 D HA -0.055 4.587 4.640 0.002 0.000 0.257 64 D C 0.417 176.730 176.300 0.021 0.000 1.217 64 D CA 0.273 54.302 54.000 0.049 0.000 0.897 64 D CB 0.883 41.733 40.800 0.085 0.000 1.132 64 D HN 0.098 nan 8.370 nan 0.000 0.493 65 K N 2.936 123.307 120.400 -0.049 0.000 2.211 65 K HA -0.112 4.209 4.320 0.002 0.000 0.203 65 K C 1.616 178.075 176.600 -0.235 0.000 1.050 65 K CA 0.941 57.119 56.287 -0.182 0.000 0.945 65 K CB 0.125 32.447 32.500 -0.297 0.000 0.732 65 K HN 0.427 nan 8.250 nan 0.000 0.451 66 F N 1.542 121.482 119.950 -0.015 0.000 2.187 66 F HA -0.046 4.482 4.527 0.002 0.000 0.295 66 F C 2.162 177.954 175.800 -0.013 0.000 1.091 66 F CA 0.974 58.963 58.000 -0.019 0.000 1.308 66 F CB -0.255 38.731 39.000 -0.023 0.000 1.030 66 F HN 0.005 nan 8.300 nan 0.000 0.487 67 E N 0.122 120.428 120.200 0.176 0.000 2.077 67 E HA -0.264 4.087 4.350 0.002 0.000 0.193 67 E C 1.825 178.455 176.600 0.051 0.000 0.989 67 E CA 1.396 57.852 56.400 0.093 0.000 0.800 67 E CB -0.374 29.369 29.700 0.072 0.000 0.746 67 E HN 0.303 nan 8.360 nan 0.000 0.452 68 N N 0.726 119.442 118.700 0.026 0.000 2.104 68 N HA -0.174 4.567 4.740 0.002 0.000 0.190 68 N C 1.767 177.275 175.510 -0.003 0.000 1.024 68 N CA 1.351 54.402 53.050 0.001 0.000 0.853 68 N CB -0.041 38.432 38.487 -0.022 0.000 1.008 68 N HN 0.061 nan 8.380 nan 0.000 0.424 69 M N -0.473 119.122 119.600 -0.009 0.000 2.106 69 M HA -0.105 4.377 4.480 0.002 0.000 0.259 69 M C 2.159 178.469 176.300 0.018 0.000 1.068 69 M CA 1.868 57.166 55.300 -0.004 0.000 1.100 69 M CB -0.747 31.851 32.600 -0.004 0.000 1.351 69 M HN 0.355 nan 8.290 nan 0.000 0.404 70 G N -0.149 108.673 108.800 0.036 0.000 2.514 70 G HA2 -0.253 3.709 3.960 0.002 0.000 0.217 70 G HA3 -0.253 3.709 3.960 0.002 0.000 0.217 70 G C 1.589 176.502 174.900 0.022 0.000 1.198 70 G CA 1.293 46.413 45.100 0.034 0.000 0.780 70 G HN 0.573 nan 8.290 nan 0.000 0.565 71 A N -0.202 122.629 122.820 0.018 0.000 1.883 71 A HA -0.120 4.201 4.320 0.002 0.000 0.217 71 A C 2.420 180.007 177.584 0.004 0.000 1.186 71 A CA 2.212 54.255 52.037 0.010 0.000 0.624 71 A CB -0.444 18.561 19.000 0.008 0.000 0.822 71 A HN 0.345 nan 8.150 nan 0.000 0.444 72 Q N -0.834 118.967 119.800 0.001 0.000 2.167 72 Q HA -0.081 4.260 4.340 0.002 0.000 0.202 72 Q C 2.111 178.111 176.000 -0.001 0.000 0.970 72 Q CA 1.369 57.169 55.803 -0.004 0.000 0.855 72 Q CB -0.512 28.221 28.738 -0.008 0.000 0.911 72 Q HN 0.780 nan 8.270 nan 0.000 0.438 73 M N -0.317 119.287 119.600 0.006 0.000 2.086 73 M HA -0.143 4.338 4.480 0.002 0.000 0.261 73 M C 2.238 178.545 176.300 0.012 0.000 1.067 73 M CA 1.470 56.777 55.300 0.011 0.000 1.116 73 M CB -0.260 32.351 32.600 0.018 0.000 1.348 73 M HN 0.170 nan 8.290 nan 0.000 0.407 74 V N -0.528 119.393 119.914 0.012 0.000 2.591 74 V HA -0.173 3.948 4.120 0.002 0.000 0.249 74 V C 1.946 178.039 176.094 -0.002 0.000 1.053 74 V CA 1.610 63.918 62.300 0.013 0.000 1.068 74 V CB -0.454 31.380 31.823 0.018 0.000 0.689 74 V HN 0.401 nan 8.190 nan 0.000 0.462 75 K N -0.216 120.180 120.400 -0.007 0.000 2.044 75 K HA -0.204 4.118 4.320 0.002 0.000 0.210 75 K C 2.354 178.934 176.600 -0.034 0.000 1.049 75 K CA 2.134 58.410 56.287 -0.019 0.000 0.927 75 K CB -0.231 32.260 32.500 -0.016 0.000 0.713 75 K HN 0.523 nan 8.250 nan 0.000 0.443 76 E N 0.304 120.487 120.200 -0.028 0.000 2.051 76 E HA -0.169 4.182 4.350 0.002 0.000 0.192 76 E C 2.064 178.620 176.600 -0.072 0.000 0.991 76 E CA 1.258 57.635 56.400 -0.039 0.000 0.799 76 E CB 0.023 29.712 29.700 -0.018 0.000 0.748 76 E HN 0.078 nan 8.360 nan 0.000 0.449 77 V N 1.074 120.958 119.914 -0.050 0.000 2.379 77 V HA -0.178 3.943 4.120 0.002 0.000 0.245 77 V C 2.433 178.423 176.094 -0.174 0.000 1.044 77 V CA 1.525 63.783 62.300 -0.069 0.000 1.036 77 V CB -0.716 31.142 31.823 0.058 0.000 0.664 77 V HN 0.241 nan 8.190 nan 0.000 0.453 78 A N 0.896 123.663 122.820 -0.088 0.000 1.933 78 A HA -0.227 4.094 4.320 0.002 0.000 0.218 78 A C 2.562 180.058 177.584 -0.148 0.000 1.175 78 A CA 2.293 54.278 52.037 -0.087 0.000 0.628 78 A CB -0.795 18.184 19.000 -0.034 0.000 0.814 78 A HN 0.677 nan 8.150 nan 0.000 0.444 79 S N -0.200 115.415 115.700 -0.141 0.000 2.419 79 S HA -0.165 4.307 4.470 0.002 0.000 0.233 79 S C 1.779 176.260 174.600 -0.198 0.000 1.016 79 S CA 1.496 59.617 58.200 -0.131 0.000 0.974 79 S CB -0.367 62.780 63.200 -0.089 0.000 0.786 79 S HN 0.605 nan 8.310 nan 0.000 0.492 80 K N 1.271 121.461 120.400 -0.350 0.000 2.148 80 K HA 0.113 4.435 4.320 0.002 0.000 0.204 80 K C 2.512 178.802 176.600 -0.515 0.000 1.050 80 K CA 1.003 56.983 56.287 -0.512 0.000 0.942 80 K CB -0.503 31.476 32.500 -0.869 0.000 0.724 80 K HN 0.518 nan 8.250 nan 0.000 0.446 81 A N 1.747 124.277 122.820 -0.484 0.000 1.883 81 A HA -0.245 4.076 4.320 0.002 0.000 0.217 81 A C 1.905 179.461 177.584 -0.046 0.000 1.186 81 A CA 2.008 53.975 52.037 -0.117 0.000 0.624 81 A CB -0.716 18.285 19.000 0.002 0.000 0.822 81 A HN 0.281 nan 8.150 nan 0.000 0.444 82 N N -0.013 118.642 118.700 -0.074 0.000 2.166 82 N HA -0.133 4.609 4.740 0.002 0.000 0.186 82 N C 1.199 176.690 175.510 -0.033 0.000 1.019 82 N CA 1.544 54.566 53.050 -0.047 0.000 0.856 82 N CB -0.166 38.284 38.487 -0.061 0.000 0.993 82 N HN 0.440 nan 8.380 nan 0.000 0.426 83 D N -0.220 120.147 120.400 -0.055 0.000 2.117 83 D HA -0.099 4.543 4.640 0.002 0.000 0.197 83 D C 1.719 178.030 176.300 0.018 0.000 0.987 83 D CA 1.182 55.167 54.000 -0.026 0.000 0.829 83 D CB -0.360 40.403 40.800 -0.062 0.000 0.961 83 D HN 0.358 nan 8.370 nan 0.000 0.460 84 A N 0.437 123.271 122.820 0.024 0.000 1.929 84 A HA 0.203 4.524 4.320 0.002 0.000 0.216 84 A C 2.059 179.690 177.584 0.077 0.000 1.176 84 A CA 1.859 53.939 52.037 0.071 0.000 0.628 84 A CB -0.045 19.040 19.000 0.142 0.000 0.816 84 A HN 0.245 nan 8.150 nan 0.000 0.444 85 A N -3.247 119.618 122.820 0.075 0.000 2.390 85 A HA 0.473 4.794 4.320 0.002 0.000 0.225 85 A C 1.656 179.293 177.584 0.090 0.000 1.232 85 A CA 1.013 53.097 52.037 0.077 0.000 0.964 85 A CB -0.092 18.949 19.000 0.069 0.000 1.064 85 A HN 1.833 nan 8.150 nan 0.000 0.525 86 G N -0.829 108.020 108.800 0.082 0.000 2.176 86 G HA2 -0.171 3.791 3.960 0.002 0.000 0.253 86 G HA3 -0.171 3.791 3.960 0.002 0.000 0.253 86 G C -0.151 174.737 174.900 -0.020 0.000 0.979 86 G CA 0.632 45.754 45.100 0.037 0.000 0.641 86 G HN 0.908 nan 8.290 nan 0.000 0.530 87 D N -2.764 117.637 120.400 0.001 0.000 2.710 87 D HA 0.589 5.231 4.640 0.002 0.000 0.276 87 D C 0.797 177.101 176.300 0.007 0.000 1.267 87 D CA 1.359 55.356 54.000 -0.005 0.000 0.772 87 D CB 0.480 41.282 40.800 0.003 0.000 1.299 87 D HN 1.382 nan 8.370 nan 0.000 0.421 88 G N -0.123 108.679 108.800 0.004 0.000 2.192 88 G HA2 -0.244 3.718 3.960 0.002 0.000 0.193 88 G HA3 -0.244 3.718 3.960 0.002 0.000 0.193 88 G C 1.085 175.991 174.900 0.010 0.000 0.999 88 G CA 0.703 45.812 45.100 0.017 0.000 0.659 88 G HN 0.547 nan 8.290 nan 0.000 0.503 89 T N 1.166 115.714 114.554 -0.010 0.000 2.674 89 T HA -0.099 4.252 4.350 0.002 0.000 0.265 89 T C 2.595 177.291 174.700 -0.007 0.000 1.039 89 T CA 2.484 64.572 62.100 -0.020 0.000 1.150 89 T CB -0.438 68.409 68.868 -0.036 0.000 0.864 89 T HN 0.445 nan 8.240 nan 0.000 0.427 90 T N 1.772 116.323 114.554 -0.005 0.000 2.684 90 T HA -0.127 4.224 4.350 0.002 0.000 0.267 90 T C 2.258 176.963 174.700 0.010 0.000 1.036 90 T CA 1.753 63.853 62.100 0.000 0.000 1.148 90 T CB -0.764 68.103 68.868 -0.001 0.000 0.863 90 T HN 0.417 nan 8.240 nan 0.000 0.436 91 T N 2.137 116.699 114.554 0.014 0.000 2.708 91 T HA -0.057 4.294 4.350 0.002 0.000 0.266 91 T C 2.432 177.150 174.700 0.030 0.000 1.037 91 T CA 1.224 63.337 62.100 0.023 0.000 1.146 91 T CB -0.661 68.223 68.868 0.026 0.000 0.865 91 T HN 0.445 nan 8.240 nan 0.000 0.435 92 A N 1.407 124.249 122.820 0.035 0.000 1.940 92 A HA -0.164 4.157 4.320 0.002 0.000 0.219 92 A C 2.551 180.158 177.584 0.037 0.000 1.176 92 A CA 2.197 54.264 52.037 0.049 0.000 0.631 92 A CB -1.297 17.739 19.000 0.060 0.000 0.814 92 A HN 0.507 nan 8.150 nan 0.000 0.446 93 T N -0.353 114.214 114.554 0.023 0.000 2.737 93 T HA -0.126 4.225 4.350 0.002 0.000 0.265 93 T C 2.004 176.716 174.700 0.020 0.000 1.038 93 T CA 1.899 64.010 62.100 0.018 0.000 1.144 93 T CB -0.755 68.118 68.868 0.009 0.000 0.866 93 T HN 0.699 nan 8.240 nan 0.000 0.434 94 V N 0.551 120.476 119.914 0.019 0.000 2.548 94 V HA 0.009 4.131 4.120 0.002 0.000 0.249 94 V C 2.180 178.287 176.094 0.022 0.000 1.055 94 V CA 1.294 63.605 62.300 0.019 0.000 1.065 94 V CB -0.975 30.858 31.823 0.018 0.000 0.681 94 V HN 0.445 nan 8.190 nan 0.000 0.462 95 L N 0.683 121.922 121.223 0.026 0.000 2.017 95 L HA -0.029 4.312 4.340 0.002 0.000 0.208 95 L C 3.085 179.972 176.870 0.028 0.000 1.073 95 L CA 1.805 56.661 54.840 0.028 0.000 0.745 95 L CB -0.943 41.136 42.059 0.034 0.000 0.894 95 L HN 0.438 nan 8.230 nan 0.000 0.432 96 A N -0.536 122.303 122.820 0.032 0.000 1.883 96 A HA -0.320 4.001 4.320 0.002 0.000 0.217 96 A C 2.255 179.854 177.584 0.025 0.000 1.186 96 A CA 2.091 54.146 52.037 0.031 0.000 0.624 96 A CB -0.703 18.318 19.000 0.035 0.000 0.822 96 A HN 0.523 nan 8.150 nan 0.000 0.444 97 Q N -0.628 119.186 119.800 0.022 0.000 2.096 97 Q HA -0.165 4.176 4.340 0.002 0.000 0.204 97 Q C 2.181 178.192 176.000 0.017 0.000 0.982 97 Q CA 1.806 57.620 55.803 0.019 0.000 0.850 97 Q CB -0.349 28.399 28.738 0.017 0.000 0.901 97 Q HN 0.615 nan 8.270 nan 0.000 0.422 98 A N 0.580 123.410 122.820 0.018 0.000 1.898 98 A HA -0.127 4.194 4.320 0.002 0.000 0.216 98 A C 1.964 179.558 177.584 0.016 0.000 1.181 98 A CA 1.246 53.293 52.037 0.016 0.000 0.620 98 A CB -0.545 18.465 19.000 0.017 0.000 0.819 98 A HN 0.479 nan 8.150 nan 0.000 0.442 99 I N -0.522 120.059 120.570 0.018 0.000 2.202 99 I HA -0.219 3.953 4.170 0.002 0.000 0.242 99 I C 2.286 178.413 176.117 0.016 0.000 1.091 99 I CA 1.201 62.511 61.300 0.017 0.000 1.368 99 I CB -0.381 37.630 38.000 0.019 0.000 1.058 99 I HN 0.267 nan 8.210 nan 0.000 0.410 100 I N 0.548 121.129 120.570 0.018 0.000 2.179 100 I HA -0.274 3.898 4.170 0.002 0.000 0.242 100 I C 2.607 178.732 176.117 0.015 0.000 1.088 100 I CA 1.628 62.938 61.300 0.017 0.000 1.357 100 I CB -0.645 37.366 38.000 0.019 0.000 1.051 100 I HN 0.226 nan 8.210 nan 0.000 0.409 101 T N 0.229 114.791 114.554 0.014 0.000 2.665 101 T HA -0.190 4.161 4.350 0.002 0.000 0.268 101 T C 1.821 176.527 174.700 0.011 0.000 1.035 101 T CA 1.430 63.537 62.100 0.012 0.000 1.151 101 T CB -0.211 68.664 68.868 0.012 0.000 0.862 101 T HN 0.294 nan 8.240 nan 0.000 0.438 102 E N 0.618 120.824 120.200 0.011 0.000 2.072 102 E HA 0.029 4.381 4.350 0.002 0.000 0.190 102 E C 2.614 179.220 176.600 0.010 0.000 0.982 102 E CA 0.989 57.395 56.400 0.010 0.000 0.803 102 E CB -0.935 28.771 29.700 0.010 0.000 0.755 102 E HN 0.559 nan 8.360 nan 0.000 0.453 103 G N 1.576 110.383 108.800 0.011 0.000 2.446 103 G HA2 -0.233 3.729 3.960 0.002 0.000 0.217 103 G HA3 -0.233 3.729 3.960 0.002 0.000 0.217 103 G C 1.724 176.630 174.900 0.011 0.000 1.168 103 G CA 0.708 45.815 45.100 0.011 0.000 0.771 103 G HN 0.186 nan 8.290 nan 0.000 0.551 104 L N -0.157 121.073 121.223 0.011 0.000 2.093 104 L HA -0.008 4.334 4.340 0.002 0.000 0.208 104 L C 2.933 179.808 176.870 0.009 0.000 1.085 104 L CA 0.909 55.755 54.840 0.010 0.000 0.755 104 L CB -0.364 41.701 42.059 0.011 0.000 0.904 104 L HN 0.149 nan 8.230 nan 0.000 0.435 105 K N 0.431 120.836 120.400 0.008 0.000 2.074 105 K HA -0.197 4.124 4.320 0.002 0.000 0.209 105 K C 2.195 178.799 176.600 0.006 0.000 1.048 105 K CA 1.623 57.914 56.287 0.006 0.000 0.926 105 K CB -0.198 32.306 32.500 0.006 0.000 0.713 105 K HN 0.311 nan 8.250 nan 0.000 0.444 106 A N 0.807 123.631 122.820 0.007 0.000 1.929 106 A HA -0.079 4.242 4.320 0.002 0.000 0.216 106 A C 2.347 179.936 177.584 0.007 0.000 1.176 106 A CA 1.078 53.119 52.037 0.006 0.000 0.628 106 A CB -0.407 18.597 19.000 0.007 0.000 0.816 106 A HN 0.065 nan 8.150 nan 0.000 0.444 107 V N -0.055 119.864 119.914 0.008 0.000 2.307 107 V HA -0.232 3.889 4.120 0.002 0.000 0.245 107 V C 3.030 179.129 176.094 0.008 0.000 1.045 107 V CA 1.876 64.181 62.300 0.009 0.000 1.024 107 V CB -1.167 30.662 31.823 0.011 0.000 0.651 107 V HN 0.586 nan 8.190 nan 0.000 0.449 108 A N -0.128 122.696 122.820 0.007 0.000 2.070 108 A HA -0.057 4.264 4.320 0.002 0.000 0.220 108 A C 2.276 179.863 177.584 0.004 0.000 1.159 108 A CA 1.805 53.845 52.037 0.005 0.000 0.656 108 A CB -0.550 18.453 19.000 0.005 0.000 0.800 108 A HN 0.587 nan 8.150 nan 0.000 0.453 109 A N -2.012 120.810 122.820 0.004 0.000 2.119 109 A HA 0.391 4.712 4.320 0.002 0.000 0.216 109 A C 1.794 179.380 177.584 0.003 0.000 1.152 109 A CA 1.387 53.426 52.037 0.003 0.000 0.708 109 A CB -0.619 18.383 19.000 0.003 0.000 0.805 109 A HN 1.819 nan 8.150 nan 0.000 0.460 110 G N -2.070 106.732 108.800 0.004 0.000 2.154 110 G HA2 -0.175 3.786 3.960 0.002 0.000 0.186 110 G HA3 -0.175 3.786 3.960 0.002 0.000 0.186 110 G C 0.102 175.004 174.900 0.005 0.000 1.000 110 G CA 0.044 45.147 45.100 0.004 0.000 0.664 110 G HN 0.328 nan 8.290 nan 0.000 0.513 111 M N 0.996 120.600 119.600 0.005 0.000 2.250 111 M HA 0.250 4.731 4.480 0.002 0.000 0.344 111 M C 0.682 176.986 176.300 0.007 0.000 1.150 111 M CA -0.496 54.808 55.300 0.006 0.000 1.147 111 M CB 0.560 33.163 32.600 0.005 0.000 1.498 111 M HN 0.168 nan 8.290 nan 0.000 0.461 112 N N 3.287 121.991 118.700 0.007 0.000 2.438 112 N HA 0.063 4.804 4.740 0.002 0.000 0.267 112 N C -2.049 173.466 175.510 0.009 0.000 1.222 112 N CA -1.088 51.967 53.050 0.008 0.000 0.930 112 N CB 1.098 39.589 38.487 0.007 0.000 1.083 112 N HN 0.312 nan 8.380 nan 0.000 0.476 113 P HA -0.102 nan 4.420 nan 0.000 0.218 113 P C 1.588 178.895 177.300 0.012 0.000 1.148 113 P CA 1.163 64.270 63.100 0.013 0.000 0.822 113 P CB 0.242 31.951 31.700 0.016 0.000 0.784 114 M N -0.884 118.723 119.600 0.011 0.000 2.175 114 M HA -0.099 4.382 4.480 0.002 0.000 0.264 114 M C 1.406 177.711 176.300 0.008 0.000 1.063 114 M CA 1.570 56.876 55.300 0.010 0.000 1.119 114 M CB -1.578 31.028 32.600 0.010 0.000 1.377 114 M HN -0.041 nan 8.290 nan 0.000 0.415 115 D N 0.451 120.855 120.400 0.007 0.000 2.183 115 D HA -0.019 4.623 4.640 0.002 0.000 0.203 115 D C 2.294 178.597 176.300 0.006 0.000 0.969 115 D CA 0.838 54.841 54.000 0.006 0.000 0.842 115 D CB -0.073 40.730 40.800 0.005 0.000 0.957 115 D HN 0.301 nan 8.370 nan 0.000 0.484 116 L N 0.642 121.869 121.223 0.007 0.000 2.046 116 L HA -0.157 4.184 4.340 0.002 0.000 0.208 116 L C 2.501 179.375 176.870 0.007 0.000 1.077 116 L CA 1.115 55.959 54.840 0.007 0.000 0.747 116 L CB -0.262 41.802 42.059 0.009 0.000 0.896 116 L HN -0.044 nan 8.230 nan 0.000 0.432 117 K N 0.182 120.586 120.400 0.008 0.000 2.026 117 K HA -0.224 4.097 4.320 0.002 0.000 0.208 117 K C 2.350 178.953 176.600 0.005 0.000 1.048 117 K CA 1.392 57.683 56.287 0.008 0.000 0.929 117 K CB -0.006 32.499 32.500 0.009 0.000 0.713 117 K HN 0.078 nan 8.250 nan 0.000 0.439 118 R N -0.391 120.112 120.500 0.004 0.000 2.096 118 R HA -0.096 4.245 4.340 0.002 0.000 0.235 118 R C 2.273 178.574 176.300 0.002 0.000 1.127 118 R CA 1.572 57.673 56.100 0.002 0.000 0.968 118 R CB -0.415 29.887 30.300 0.003 0.000 0.861 118 R HN 0.387 nan 8.270 nan 0.000 0.440 119 G N 0.678 109.480 108.800 0.003 0.000 2.421 119 G HA2 -0.240 3.722 3.960 0.002 0.000 0.216 119 G HA3 -0.240 3.722 3.960 0.002 0.000 0.216 119 G C 1.397 176.298 174.900 0.003 0.000 1.171 119 G CA 0.839 45.941 45.100 0.003 0.000 0.775 119 G HN 0.233 nan 8.290 nan 0.000 0.543 120 I N 1.138 121.711 120.570 0.004 0.000 2.163 120 I HA -0.172 4.000 4.170 0.002 0.000 0.243 120 I C 2.368 178.486 176.117 0.000 0.000 1.085 120 I CA 1.415 62.718 61.300 0.004 0.000 1.347 120 I CB -0.199 37.805 38.000 0.006 0.000 1.044 120 I HN 0.046 nan 8.210 nan 0.000 0.408 121 D N 0.705 121.103 120.400 -0.002 0.000 2.123 121 D HA -0.224 4.417 4.640 0.002 0.000 0.196 121 D C 2.082 178.378 176.300 -0.007 0.000 0.992 121 D CA 1.257 55.253 54.000 -0.007 0.000 0.833 121 D CB -0.257 40.539 40.800 -0.007 0.000 0.954 121 D HN 0.297 nan 8.370 nan 0.000 0.455 122 K N 0.562 120.960 120.400 -0.004 0.000 2.057 122 K HA -0.080 4.241 4.320 0.002 0.000 0.207 122 K C 2.023 178.622 176.600 -0.003 0.000 1.049 122 K CA 1.222 57.507 56.287 -0.003 0.000 0.931 122 K CB -0.035 32.465 32.500 -0.001 0.000 0.714 122 K HN 0.024 nan 8.250 nan 0.000 0.440 123 A N 0.514 123.333 122.820 -0.001 0.000 1.933 123 A HA -0.105 4.217 4.320 0.002 0.000 0.218 123 A C 2.195 179.779 177.584 -0.001 0.000 1.175 123 A CA 1.549 53.587 52.037 0.001 0.000 0.628 123 A CB -0.507 18.494 19.000 0.003 0.000 0.814 123 A HN 0.181 nan 8.150 nan 0.000 0.444 124 V N -0.288 119.624 119.914 -0.004 0.000 2.323 124 V HA -0.201 3.921 4.120 0.002 0.000 0.244 124 V C 2.750 178.837 176.094 -0.011 0.000 1.041 124 V CA 2.388 64.684 62.300 -0.008 0.000 1.025 124 V CB -1.261 30.554 31.823 -0.013 0.000 0.656 124 V HN 0.619 nan 8.190 nan 0.000 0.451 125 T N 0.822 115.368 114.554 -0.013 0.000 2.665 125 T HA -0.249 4.102 4.350 0.002 0.000 0.268 125 T C 2.037 176.733 174.700 -0.008 0.000 1.035 125 T CA 1.832 63.924 62.100 -0.013 0.000 1.151 125 T CB -0.518 68.343 68.868 -0.012 0.000 0.862 125 T HN 0.567 nan 8.240 nan 0.000 0.438 126 A N 1.338 124.156 122.820 -0.004 0.000 1.930 126 A HA 0.223 4.544 4.320 0.002 0.000 0.217 126 A C 2.659 180.243 177.584 0.001 0.000 1.175 126 A CA 1.745 53.781 52.037 -0.001 0.000 0.627 126 A CB -1.060 17.940 19.000 0.000 0.000 0.815 126 A HN 0.526 nan 8.150 nan 0.000 0.443 127 A N -0.538 122.282 122.820 0.001 0.000 1.898 127 A HA 0.011 4.332 4.320 0.002 0.000 0.216 127 A C 2.204 179.790 177.584 0.003 0.000 1.181 127 A CA 1.699 53.739 52.037 0.004 0.000 0.620 127 A CB -0.945 18.058 19.000 0.005 0.000 0.819 127 A HN 0.378 nan 8.150 nan 0.000 0.442 128 V N -0.032 119.880 119.914 -0.002 0.000 2.392 128 V HA -0.243 3.879 4.120 0.002 0.000 0.249 128 V C 2.593 178.686 176.094 -0.001 0.000 1.059 128 V CA 2.429 64.726 62.300 -0.004 0.000 1.051 128 V CB -0.704 31.110 31.823 -0.014 0.000 0.658 128 V HN 0.606 nan 8.190 nan 0.000 0.455 129 E N 0.126 120.325 120.200 -0.001 0.000 2.072 129 E HA -0.208 4.143 4.350 0.002 0.000 0.191 129 E C 2.143 178.745 176.600 0.004 0.000 0.985 129 E CA 1.194 57.595 56.400 0.001 0.000 0.801 129 E CB -0.194 29.506 29.700 0.000 0.000 0.750 129 E HN 0.562 nan 8.360 nan 0.000 0.452 130 E N -0.719 119.485 120.200 0.006 0.000 2.208 130 E HA -0.070 4.281 4.350 0.002 0.000 0.193 130 E C 1.572 178.179 176.600 0.012 0.000 0.988 130 E CA 0.276 56.681 56.400 0.009 0.000 0.828 130 E CB -0.126 29.581 29.700 0.010 0.000 0.763 130 E HN 0.147 nan 8.360 nan 0.000 0.478 131 L N 0.665 121.895 121.223 0.011 0.000 2.156 131 L HA -0.055 4.286 4.340 0.002 0.000 0.208 131 L C 1.638 178.516 176.870 0.013 0.000 1.095 131 L CA 1.671 56.519 54.840 0.014 0.000 0.770 131 L CB -0.223 41.843 42.059 0.012 0.000 0.914 131 L HN 0.015 nan 8.230 nan 0.000 0.439 132 K N -1.118 119.288 120.400 0.010 0.000 2.155 132 K HA -0.012 4.309 4.320 0.002 0.000 0.203 132 K C 2.013 178.620 176.600 0.010 0.000 1.052 132 K CA 1.070 57.362 56.287 0.009 0.000 0.948 132 K CB -0.186 32.318 32.500 0.006 0.000 0.728 132 K HN 0.318 nan 8.250 nan 0.000 0.448 133 A N 1.428 124.254 122.820 0.011 0.000 1.968 133 A HA -0.067 4.254 4.320 0.002 0.000 0.217 133 A C 2.001 179.594 177.584 0.015 0.000 1.169 133 A CA 0.858 52.902 52.037 0.011 0.000 0.638 133 A CB -0.362 18.644 19.000 0.011 0.000 0.812 133 A HN 0.198 nan 8.150 nan 0.000 0.446 134 L N -0.506 120.727 121.223 0.017 0.000 2.240 134 L HA 0.022 4.363 4.340 0.002 0.000 0.211 134 L C 1.211 178.094 176.870 0.020 0.000 1.106 134 L CA 0.430 55.283 54.840 0.021 0.000 0.793 134 L CB -0.235 41.839 42.059 0.025 0.000 0.927 134 L HN 0.382 nan 8.230 nan 0.000 0.446 135 S N -0.300 115.410 115.700 0.017 0.000 2.549 135 S HA 0.104 4.575 4.470 0.002 0.000 0.286 135 S C -0.208 174.401 174.600 0.014 0.000 1.314 135 S CA -0.387 57.822 58.200 0.015 0.000 1.062 135 S CB 0.668 63.876 63.200 0.013 0.000 0.865 135 S HN 0.044 nan 8.310 nan 0.000 0.498 136 V N 8.483 128.405 119.914 0.013 0.000 2.370 136 V HA 0.396 4.518 4.120 0.002 0.000 0.283 136 V C -2.089 174.010 176.094 0.009 0.000 1.023 136 V CA -1.852 60.455 62.300 0.011 0.000 0.857 136 V CB 1.335 33.165 31.823 0.012 0.000 0.985 136 V HN 0.749 nan 8.190 nan 0.000 0.443 137 P HA 0.220 nan 4.420 nan 0.000 0.272 137 P C -0.645 176.657 177.300 0.005 0.000 1.230 137 P CA -0.413 62.690 63.100 0.006 0.000 0.788 137 P CB 0.493 32.196 31.700 0.005 0.000 0.949 138 C N 2.104 121.406 119.300 0.004 0.000 2.566 138 C HA 0.234 4.695 4.460 0.002 0.000 0.300 138 C C 1.753 176.743 174.990 0.001 0.000 1.147 138 C CA 0.164 59.184 59.018 0.002 0.000 1.644 138 C CB -1.304 26.438 27.740 0.002 0.000 1.691 138 C HN 0.573 nan 8.230 nan 0.000 0.440 139 S N 1.805 117.506 115.700 0.001 0.000 2.311 139 S HA -0.052 4.420 4.470 0.002 0.000 0.209 139 S C 0.696 175.295 174.600 -0.001 0.000 1.029 139 S CA 0.883 59.084 58.200 0.000 0.000 0.968 139 S CB -0.248 62.953 63.200 0.001 0.000 0.946 139 S HN 0.901 nan 8.310 nan 0.000 0.450 140 D N 1.166 121.565 120.400 -0.001 0.000 2.384 140 D HA 0.221 4.863 4.640 0.002 0.000 0.244 140 D C 0.955 177.254 176.300 -0.003 0.000 1.251 140 D CA 0.160 54.158 54.000 -0.002 0.000 0.961 140 D CB 0.268 41.067 40.800 -0.001 0.000 1.116 140 D HN 0.248 nan 8.370 nan 0.000 0.484 141 S N -1.415 114.283 115.700 -0.003 0.000 2.562 141 S HA -0.110 4.361 4.470 0.002 0.000 0.221 141 S C 1.488 176.086 174.600 -0.004 0.000 0.975 141 S CA 0.239 58.436 58.200 -0.004 0.000 0.918 141 S CB -0.357 62.840 63.200 -0.005 0.000 0.772 141 S HN 0.516 nan 8.310 nan 0.000 0.531 142 K N 1.483 121.881 120.400 -0.003 0.000 2.025 142 K HA 0.060 4.382 4.320 0.002 0.000 0.207 142 K C 2.306 178.904 176.600 -0.003 0.000 1.049 142 K CA 1.133 57.419 56.287 -0.003 0.000 0.933 142 K CB -0.599 31.899 32.500 -0.002 0.000 0.714 142 K HN 0.440 nan 8.250 nan 0.000 0.438 143 A N 1.482 124.301 122.820 -0.002 0.000 1.902 143 A HA -0.121 4.201 4.320 0.002 0.000 0.217 143 A C 2.087 179.669 177.584 -0.002 0.000 1.181 143 A CA 1.285 53.321 52.037 -0.002 0.000 0.623 143 A CB -0.550 18.450 19.000 -0.001 0.000 0.818 143 A HN 0.332 nan 8.150 nan 0.000 0.443 144 I N -0.130 120.439 120.570 -0.002 0.000 2.163 144 I HA -0.341 3.831 4.170 0.002 0.000 0.243 144 I C 2.978 179.093 176.117 -0.003 0.000 1.085 144 I CA 1.206 62.504 61.300 -0.003 0.000 1.347 144 I CB -0.333 37.664 38.000 -0.004 0.000 1.044 144 I HN 0.373 nan 8.210 nan 0.000 0.408 145 A N 0.876 123.694 122.820 -0.004 0.000 1.877 145 A HA -0.259 4.063 4.320 0.002 0.000 0.216 145 A C 2.305 179.887 177.584 -0.004 0.000 1.186 145 A CA 1.892 53.926 52.037 -0.004 0.000 0.620 145 A CB -0.772 18.225 19.000 -0.004 0.000 0.822 145 A HN 0.655 nan 8.150 nan 0.000 0.443 146 Q N -0.631 119.167 119.800 -0.004 0.000 2.297 146 Q HA -0.016 4.325 4.340 0.002 0.000 0.204 146 Q C 1.680 177.677 176.000 -0.005 0.000 0.962 146 Q CA 1.542 57.342 55.803 -0.005 0.000 0.879 146 Q CB -0.456 28.279 28.738 -0.006 0.000 0.947 146 Q HN 0.354 nan 8.270 nan 0.000 0.462 147 V N 1.633 121.545 119.914 -0.003 0.000 2.453 147 V HA -0.105 4.016 4.120 0.002 0.000 0.247 147 V C 2.420 178.514 176.094 0.000 0.000 1.048 147 V CA 1.825 64.124 62.300 -0.001 0.000 1.049 147 V CB -0.850 30.973 31.823 0.001 0.000 0.672 147 V HN 0.600 nan 8.190 nan 0.000 0.457 148 G N -0.165 108.635 108.800 0.000 0.000 2.418 148 G HA2 -0.231 3.730 3.960 0.002 0.000 0.217 148 G HA3 -0.231 3.730 3.960 0.002 0.000 0.217 148 G C 1.688 176.588 174.900 -0.000 0.000 1.158 148 G CA 1.538 46.639 45.100 0.002 0.000 0.771 148 G HN 0.460 nan 8.290 nan 0.000 0.545 149 T N 1.431 115.983 114.554 -0.003 0.000 2.684 149 T HA -0.105 4.246 4.350 0.002 0.000 0.267 149 T C 2.375 177.070 174.700 -0.008 0.000 1.036 149 T CA 1.173 63.269 62.100 -0.006 0.000 1.148 149 T CB -0.188 68.675 68.868 -0.007 0.000 0.863 149 T HN 0.238 nan 8.240 nan 0.000 0.436 150 I N 1.263 121.828 120.570 -0.008 0.000 2.226 150 I HA -0.158 4.013 4.170 0.002 0.000 0.245 150 I C 2.467 178.578 176.117 -0.009 0.000 1.100 150 I CA 1.053 62.346 61.300 -0.011 0.000 1.374 150 I CB -0.266 37.727 38.000 -0.012 0.000 1.057 150 I HN 0.173 nan 8.210 nan 0.000 0.413 151 S N 0.463 116.161 115.700 -0.004 0.000 2.515 151 S HA 0.057 4.528 4.470 0.002 0.000 0.231 151 S C 1.425 176.024 174.600 -0.001 0.000 0.987 151 S CA 0.867 59.067 58.200 -0.000 0.000 0.936 151 S CB -0.080 63.125 63.200 0.009 0.000 0.766 151 S HN 0.493 nan 8.310 nan 0.000 0.528 152 A N 1.279 124.097 122.820 -0.003 0.000 2.713 152 A HA 0.478 4.799 4.320 0.002 0.000 0.296 152 A C 0.224 177.803 177.584 -0.009 0.000 1.255 152 A CA -0.745 51.289 52.037 -0.004 0.000 0.955 152 A CB -0.662 18.337 19.000 -0.002 0.000 1.149 152 A HN 0.431 nan 8.150 nan 0.000 0.538 153 N N 0.224 118.917 118.700 -0.012 0.000 2.727 153 N HA -0.192 4.549 4.740 0.002 0.000 0.251 153 N C 0.329 175.829 175.510 -0.015 0.000 1.040 153 N CA 0.497 53.538 53.050 -0.015 0.000 0.712 153 N CB -1.473 37.005 38.487 -0.015 0.000 0.912 153 N HN 0.461 nan 8.380 nan 0.000 0.545 154 S N -2.225 113.466 115.700 -0.015 0.000 3.476 154 S HA -0.232 4.240 4.470 0.002 0.000 0.309 154 S C -0.096 174.497 174.600 -0.012 0.000 1.222 154 S CA 1.052 59.243 58.200 -0.015 0.000 0.922 154 S CB -0.682 62.508 63.200 -0.018 0.000 1.023 154 S HN 0.723 nan 8.310 nan 0.000 0.591 155 D N 1.457 121.851 120.400 -0.010 0.000 2.393 155 D HA 0.260 4.901 4.640 0.002 0.000 0.232 155 D C 1.078 177.373 176.300 -0.007 0.000 1.192 155 D CA -0.195 53.800 54.000 -0.008 0.000 0.882 155 D CB 0.504 41.300 40.800 -0.007 0.000 1.038 155 D HN 0.452 nan 8.370 nan 0.000 0.499 156 E N 1.322 121.518 120.200 -0.007 0.000 2.268 156 E HA -0.104 4.247 4.350 0.002 0.000 0.195 156 E C 1.366 177.962 176.600 -0.005 0.000 0.995 156 E CA 0.843 57.239 56.400 -0.006 0.000 0.836 156 E CB 0.294 29.990 29.700 -0.007 0.000 0.763 156 E HN 0.503 nan 8.360 nan 0.000 0.491 157 T N 0.842 115.393 114.554 -0.005 0.000 2.708 157 T HA -0.131 4.220 4.350 0.002 0.000 0.266 157 T C 2.160 176.858 174.700 -0.004 0.000 1.037 157 T CA 1.123 63.221 62.100 -0.004 0.000 1.146 157 T CB -0.242 68.623 68.868 -0.004 0.000 0.865 157 T HN 0.001 nan 8.240 nan 0.000 0.435 158 V N 1.624 121.536 119.914 -0.003 0.000 2.343 158 V HA -0.106 4.015 4.120 0.002 0.000 0.247 158 V C 2.894 178.987 176.094 -0.002 0.000 1.051 158 V CA 1.887 64.186 62.300 -0.001 0.000 1.036 158 V CB -1.533 30.290 31.823 -0.000 0.000 0.654 158 V HN 0.602 nan 8.190 nan 0.000 0.451 159 G N 1.284 110.082 108.800 -0.003 0.000 2.491 159 G HA2 -0.336 3.625 3.960 0.002 0.000 0.218 159 G HA3 -0.336 3.625 3.960 0.002 0.000 0.218 159 G C 1.509 176.407 174.900 -0.004 0.000 1.180 159 G CA 1.330 46.428 45.100 -0.003 0.000 0.774 159 G HN 0.678 nan 8.290 nan 0.000 0.562 160 K N 0.049 120.446 120.400 -0.004 0.000 2.365 160 K HA 0.329 4.650 4.320 0.002 0.000 0.197 160 K C 2.246 178.843 176.600 -0.005 0.000 1.042 160 K CA 0.229 56.513 56.287 -0.004 0.000 0.987 160 K CB -0.197 32.300 32.500 -0.005 0.000 0.779 160 K HN 0.332 nan 8.250 nan 0.000 0.484 161 L N 1.120 122.340 121.223 -0.004 0.000 1.994 161 L HA -0.128 4.213 4.340 0.002 0.000 0.208 161 L C 2.404 179.271 176.870 -0.006 0.000 1.071 161 L CA 1.359 56.197 54.840 -0.005 0.000 0.745 161 L CB -0.239 41.818 42.059 -0.003 0.000 0.892 161 L HN 0.212 nan 8.230 nan 0.000 0.431 162 I N -0.592 119.975 120.570 -0.005 0.000 2.226 162 I HA -0.286 3.885 4.170 0.002 0.000 0.245 162 I C 2.749 178.861 176.117 -0.008 0.000 1.100 162 I CA 1.118 62.414 61.300 -0.007 0.000 1.374 162 I CB -0.475 37.522 38.000 -0.005 0.000 1.057 162 I HN 0.219 nan 8.210 nan 0.000 0.413 163 A N 0.478 123.294 122.820 -0.007 0.000 1.908 163 A HA -0.256 4.065 4.320 0.002 0.000 0.218 163 A C 2.215 179.795 177.584 -0.007 0.000 1.181 163 A CA 1.940 53.973 52.037 -0.007 0.000 0.627 163 A CB -0.615 18.382 19.000 -0.005 0.000 0.818 163 A HN 0.456 nan 8.150 nan 0.000 0.445 164 E N -0.527 119.669 120.200 -0.007 0.000 2.106 164 E HA -0.019 4.333 4.350 0.002 0.000 0.192 164 E C 2.307 178.901 176.600 -0.008 0.000 0.984 164 E CA 0.772 57.168 56.400 -0.007 0.000 0.806 164 E CB -0.245 29.451 29.700 -0.006 0.000 0.750 164 E HN 0.626 nan 8.360 nan 0.000 0.458 165 A N 1.085 123.900 122.820 -0.010 0.000 1.877 165 A HA -0.179 4.142 4.320 0.002 0.000 0.216 165 A C 2.152 179.728 177.584 -0.013 0.000 1.186 165 A CA 1.272 53.302 52.037 -0.012 0.000 0.620 165 A CB -0.384 18.608 19.000 -0.013 0.000 0.822 165 A HN 0.142 nan 8.150 nan 0.000 0.443 166 M N -1.005 118.587 119.600 -0.013 0.000 2.296 166 M HA -0.142 4.340 4.480 0.002 0.000 0.265 166 M C 1.751 178.044 176.300 -0.011 0.000 1.064 166 M CA 1.800 57.091 55.300 -0.014 0.000 1.109 166 M CB -0.585 32.007 32.600 -0.013 0.000 1.396 166 M HN 0.486 nan 8.290 nan 0.000 0.430 167 D N 0.619 121.013 120.400 -0.009 0.000 2.178 167 D HA -0.128 4.513 4.640 0.002 0.000 0.202 167 D C 2.057 178.352 176.300 -0.008 0.000 0.974 167 D CA 1.099 55.095 54.000 -0.008 0.000 0.841 167 D CB 0.266 41.062 40.800 -0.007 0.000 0.953 167 D HN 0.027 nan 8.370 nan 0.000 0.478 168 K N -0.278 120.117 120.400 -0.009 0.000 2.076 168 K HA -0.014 4.307 4.320 0.002 0.000 0.204 168 K C 1.775 178.369 176.600 -0.010 0.000 1.051 168 K CA 1.128 57.410 56.287 -0.009 0.000 0.949 168 K CB 0.116 32.610 32.500 -0.009 0.000 0.726 168 K HN 0.279 nan 8.250 nan 0.000 0.443 169 V N -3.297 116.610 119.914 -0.011 0.000 3.528 169 V HA 0.405 4.526 4.120 0.002 0.000 0.294 169 V C 0.509 176.596 176.094 -0.012 0.000 1.404 169 V CA 0.107 62.400 62.300 -0.012 0.000 1.065 169 V CB -0.120 31.694 31.823 -0.014 0.000 0.904 169 V HN 0.326 nan 8.190 nan 0.000 0.435 170 G N 1.171 109.964 108.800 -0.012 0.000 2.746 170 G HA2 -0.183 3.779 3.960 0.002 0.000 0.685 170 G HA3 -0.183 3.779 3.960 0.002 0.000 0.685 170 G C 0.018 174.910 174.900 -0.013 0.000 1.350 170 G CA 0.038 45.132 45.100 -0.011 0.000 0.837 170 G HN 0.289 nan 8.290 nan 0.000 0.564 171 K N -0.072 120.320 120.400 -0.012 0.000 2.365 171 K HA 0.016 4.338 4.320 0.002 0.000 0.199 171 K C 1.686 178.276 176.600 -0.017 0.000 1.045 171 K CA 1.528 57.807 56.287 -0.014 0.000 0.962 171 K CB 0.142 32.635 32.500 -0.010 0.000 0.759 171 K HN 0.598 nan 8.250 nan 0.000 0.469 172 E N 0.120 120.310 120.200 -0.016 0.000 2.538 172 E HA 0.075 4.426 4.350 0.002 0.000 0.207 172 E C 0.508 177.097 176.600 -0.019 0.000 1.002 172 E CA -0.489 55.901 56.400 -0.017 0.000 0.952 172 E CB 0.975 30.668 29.700 -0.013 0.000 1.031 172 E HN 0.211 nan 8.360 nan 0.000 0.476 173 G N 0.674 109.462 108.800 -0.020 0.000 2.684 173 G HA2 0.189 4.151 3.960 0.002 0.000 0.255 173 G HA3 0.189 4.151 3.960 0.002 0.000 0.255 173 G C -0.008 174.876 174.900 -0.028 0.000 1.219 173 G CA -0.460 44.628 45.100 -0.020 0.000 0.901 173 G HN 0.005 nan 8.290 nan 0.000 0.548 174 V N 1.043 120.942 119.914 -0.026 0.000 2.364 174 V HA 0.300 4.421 4.120 0.002 0.000 0.272 174 V C 0.147 176.219 176.094 -0.036 0.000 1.036 174 V CA -0.136 62.143 62.300 -0.035 0.000 0.880 174 V CB 0.692 32.497 31.823 -0.030 0.000 0.991 174 V HN 0.438 nan 8.190 nan 0.000 0.460 175 I N 4.327 124.869 120.570 -0.047 0.000 2.355 175 I HA 0.408 4.580 4.170 0.002 0.000 0.288 175 I C 0.236 176.326 176.117 -0.046 0.000 0.999 175 I CA 0.046 61.321 61.300 -0.041 0.000 1.163 175 I CB 1.931 39.906 38.000 -0.041 0.000 1.316 175 I HN 0.526 nan 8.210 nan 0.000 0.454 176 T N 5.523 120.057 114.554 -0.032 0.000 2.912 176 T HA 0.651 5.002 4.350 0.002 0.000 0.288 176 T C -1.219 173.472 174.700 -0.015 0.000 1.030 176 T CA -0.498 61.586 62.100 -0.026 0.000 1.020 176 T CB 1.925 70.778 68.868 -0.025 0.000 1.056 176 T HN 0.334 nan 8.240 nan 0.000 0.480 177 V N 4.375 124.285 119.914 -0.006 0.000 2.638 177 V HA 0.836 4.958 4.120 0.002 0.000 0.306 177 V C -1.088 175.008 176.094 0.003 0.000 1.052 177 V CA -0.489 61.811 62.300 0.000 0.000 0.885 177 V CB 1.613 33.441 31.823 0.007 0.000 0.999 177 V HN 1.067 nan 8.190 nan 0.000 0.424 178 E N 3.246 123.446 120.200 -0.000 0.000 2.456 178 E HA 0.507 4.858 4.350 0.002 0.000 0.276 178 E C -1.519 175.081 176.600 -0.000 0.000 0.981 178 E CA -1.076 55.324 56.400 -0.000 0.000 0.814 178 E CB 1.412 31.110 29.700 -0.003 0.000 1.382 178 E HN 0.501 nan 8.360 nan 0.000 0.459 179 D N 0.604 121.004 120.400 -0.000 0.000 2.525 179 D HA 0.211 4.852 4.640 0.002 0.000 0.235 179 D C 0.264 176.563 176.300 -0.002 0.000 1.137 179 D CA 0.886 54.885 54.000 -0.001 0.000 0.868 179 D CB 0.757 41.556 40.800 -0.001 0.000 1.180 179 D HN 0.566 nan 8.370 nan 0.000 0.465 180 G N 0.005 108.804 108.800 -0.002 0.000 2.588 180 G HA2 0.379 4.341 3.960 0.002 0.000 0.281 180 G HA3 0.379 4.341 3.960 0.002 0.000 0.281 180 G C 0.746 175.644 174.900 -0.003 0.000 1.236 180 G CA -0.162 44.937 45.100 -0.003 0.000 0.969 180 G HN 0.497 nan 8.290 nan 0.000 0.504 181 T N -3.679 110.873 114.554 -0.003 0.000 3.040 181 T HA 0.549 4.900 4.350 0.002 0.000 0.266 181 T C 0.858 175.556 174.700 -0.003 0.000 1.005 181 T CA 0.678 62.776 62.100 -0.003 0.000 0.906 181 T CB 0.500 69.366 68.868 -0.004 0.000 1.082 181 T HN 1.264 nan 8.240 nan 0.000 0.531 182 G N 0.526 109.324 108.800 -0.003 0.000 2.588 182 G HA2 0.432 4.393 3.960 0.002 0.000 0.281 182 G HA3 0.432 4.393 3.960 0.002 0.000 0.281 182 G C -0.229 174.670 174.900 -0.003 0.000 1.223 182 G CA -0.083 45.015 45.100 -0.003 0.000 0.871 182 G HN 0.061 nan 8.290 nan 0.000 0.492 183 L N 0.012 121.233 121.223 -0.003 0.000 2.179 183 L HA 0.309 4.650 4.340 0.002 0.000 0.208 183 L C 0.785 177.653 176.870 -0.003 0.000 1.096 183 L CA 1.402 56.240 54.840 -0.003 0.000 0.779 183 L CB -0.481 41.576 42.059 -0.003 0.000 0.922 183 L HN 0.537 nan 8.230 nan 0.000 0.443 184 Q N 0.893 120.691 119.800 -0.003 0.000 2.230 184 Q HA 0.166 4.507 4.340 0.002 0.000 0.253 184 Q C -0.754 175.244 176.000 -0.004 0.000 0.919 184 Q CA -0.810 54.991 55.803 -0.003 0.000 0.908 184 Q CB 1.483 30.218 28.738 -0.004 0.000 1.245 184 Q HN 0.204 nan 8.270 nan 0.000 0.437 185 D N 2.129 122.527 120.400 -0.004 0.000 2.382 185 D HA 0.085 4.726 4.640 0.002 0.000 0.240 185 D C -0.426 175.871 176.300 -0.004 0.000 1.146 185 D CA 0.516 54.514 54.000 -0.004 0.000 0.897 185 D CB 0.840 41.638 40.800 -0.004 0.000 1.197 185 D HN 0.398 nan 8.370 nan 0.000 0.432 186 E N -0.172 120.025 120.200 -0.005 0.000 2.317 186 E HA 0.545 4.896 4.350 0.002 0.000 0.270 186 E C -1.147 175.450 176.600 -0.006 0.000 0.885 186 E CA -0.920 55.477 56.400 -0.005 0.000 0.760 186 E CB 2.519 32.215 29.700 -0.006 0.000 1.227 186 E HN 0.073 nan 8.360 nan 0.000 0.434 187 L N 2.393 123.612 121.223 -0.006 0.000 2.441 187 L HA 0.477 4.819 4.340 0.002 0.000 0.270 187 L C -1.906 174.959 176.870 -0.008 0.000 0.973 187 L CA -0.165 54.671 54.840 -0.007 0.000 0.842 187 L CB 1.463 43.517 42.059 -0.007 0.000 1.239 187 L HN 0.430 nan 8.230 nan 0.000 0.406 188 D N 4.213 124.608 120.400 -0.009 0.000 2.879 188 D HA 0.426 5.067 4.640 0.002 0.000 0.236 188 D C -1.001 175.293 176.300 -0.010 0.000 1.171 188 D CA -0.264 53.731 54.000 -0.009 0.000 0.868 188 D CB 3.071 43.866 40.800 -0.009 0.000 1.598 188 D HN 0.250 nan 8.370 nan 0.000 0.497 189 V N 1.979 121.887 119.914 -0.009 0.000 2.383 189 V HA 0.378 4.499 4.120 0.002 0.000 0.275 189 V C 0.499 176.587 176.094 -0.009 0.000 1.036 189 V CA -0.525 61.770 62.300 -0.009 0.000 0.889 189 V CB 1.177 32.995 31.823 -0.009 0.000 0.985 189 V HN 0.412 nan 8.190 nan 0.000 0.459 190 V N 1.723 121.631 119.914 -0.009 0.000 3.001 190 V HA 0.665 4.787 4.120 0.002 0.000 0.314 190 V C -0.221 175.869 176.094 -0.007 0.000 1.099 190 V CA -1.128 61.166 62.300 -0.009 0.000 0.989 190 V CB 2.114 33.931 31.823 -0.011 0.000 1.040 190 V HN 0.681 nan 8.190 nan 0.000 0.434 191 E N 1.864 122.061 120.200 -0.006 0.000 2.498 191 E HA 0.492 4.843 4.350 0.002 0.000 0.252 191 E C 0.297 176.897 176.600 0.000 0.000 1.025 191 E CA 0.912 57.310 56.400 -0.003 0.000 0.938 191 E CB 0.632 30.330 29.700 -0.003 0.000 0.947 191 E HN 1.175 nan 8.360 nan 0.000 0.478 192 G N 1.615 110.418 108.800 0.005 0.000 2.600 192 G HA2 0.636 4.598 3.960 0.002 0.000 0.293 192 G HA3 0.636 4.598 3.960 0.002 0.000 0.293 192 G C -1.152 173.762 174.900 0.024 0.000 1.408 192 G CA -0.675 44.432 45.100 0.011 0.000 0.782 192 G HN 0.375 nan 8.290 nan 0.000 0.482 193 M N -0.170 119.453 119.600 0.039 0.000 2.603 193 M HA 0.523 5.005 4.480 0.002 0.000 0.275 193 M C -1.990 174.347 176.300 0.063 0.000 1.226 193 M CA -0.665 54.677 55.300 0.070 0.000 0.870 193 M CB 2.848 35.522 32.600 0.122 0.000 1.716 193 M HN 0.711 nan 8.290 nan 0.000 0.482 194 Q N 2.929 122.773 119.800 0.073 0.000 2.289 194 Q HA 0.660 5.002 4.340 0.002 0.000 0.270 194 Q C -2.208 173.843 176.000 0.085 0.000 1.038 194 Q CA -0.639 55.153 55.803 -0.018 0.000 0.812 194 Q CB 2.092 30.794 28.738 -0.061 0.000 1.300 194 Q HN 0.574 nan 8.270 nan 0.000 0.427 195 F N -0.165 119.777 119.950 -0.014 0.000 2.603 195 F HA 0.530 5.058 4.527 0.002 0.000 0.317 195 F C -0.366 175.427 175.800 -0.012 0.000 1.066 195 F CA -1.182 56.812 58.000 -0.010 0.000 0.941 195 F CB 1.248 40.245 39.000 -0.006 0.000 1.291 195 F HN 0.336 nan 8.300 nan 0.000 0.472 196 D N 2.823 123.329 120.400 0.177 0.000 2.801 196 D HA 0.148 4.790 4.640 0.002 0.000 0.232 196 D C -0.369 175.980 176.300 0.083 0.000 1.128 196 D CA 0.300 54.342 54.000 0.069 0.000 1.003 196 D CB -0.025 40.816 40.800 0.068 0.000 1.110 196 D HN 0.299 nan 8.370 nan 0.000 0.477 197 R N 0.087 120.610 120.500 0.040 0.000 2.538 197 R HA 0.438 4.779 4.340 0.002 0.000 0.292 197 R C 0.381 176.635 176.300 -0.077 0.000 1.008 197 R CA -0.669 55.459 56.100 0.047 0.000 0.896 197 R CB 2.019 32.450 30.300 0.218 0.000 1.187 197 R HN 0.140 nan 8.270 nan 0.000 0.440 198 G N 1.323 110.053 108.800 -0.118 0.000 2.510 198 G HA2 0.323 4.284 3.960 0.002 0.000 0.280 198 G HA3 0.323 4.284 3.960 0.002 0.000 0.280 198 G C -0.535 174.276 174.900 -0.148 0.000 1.386 198 G CA -0.409 44.542 45.100 -0.249 0.000 1.047 198 G HN 0.467 nan 8.290 nan 0.000 0.527 199 Y N -1.487 118.828 120.300 0.024 0.000 2.379 199 Y HA 0.422 4.973 4.550 0.002 0.000 0.337 199 Y C 1.216 177.193 175.900 0.129 0.000 1.238 199 Y CA -1.135 57.002 58.100 0.062 0.000 1.405 199 Y CB 0.558 39.105 38.460 0.146 0.000 1.310 199 Y HN 0.162 nan 8.280 nan 0.000 0.569 200 L N 1.732 123.199 121.223 0.406 0.000 2.492 200 L HA 0.084 4.425 4.340 0.002 0.000 0.223 200 L C 0.358 177.471 176.870 0.405 0.000 1.132 200 L CA 0.854 55.904 54.840 0.348 0.000 0.850 200 L CB -0.298 41.928 42.059 0.278 0.000 0.966 200 L HN 0.891 nan 8.230 nan 0.000 0.454 201 S N -3.341 112.686 115.700 0.544 0.000 2.567 201 S HA 0.523 4.994 4.470 0.002 0.000 0.270 201 S C -2.887 171.738 174.600 0.041 0.000 1.152 201 S CA -1.289 57.078 58.200 0.278 0.000 0.835 201 S CB 1.673 64.940 63.200 0.112 0.000 1.115 201 S HN -0.310 nan 8.310 nan 0.000 0.459 202 P HA 0.326 nan 4.420 nan 0.000 0.300 202 P C -0.201 176.779 177.300 -0.534 0.000 1.294 202 P CA 0.246 62.948 63.100 -0.663 0.000 0.757 202 P CB -0.240 31.008 31.700 -0.755 0.000 1.377 203 Y N -5.432 114.684 120.300 -0.307 0.000 4.885 203 Y HA -0.247 4.305 4.550 0.002 0.000 0.251 203 Y C 1.459 177.175 175.900 -0.306 0.000 0.969 203 Y CA 0.662 58.590 58.100 -0.287 0.000 1.930 203 Y CB -3.189 35.084 38.460 -0.312 0.000 1.403 203 Y HN 0.136 nan 8.280 nan 0.000 0.507 204 F N -0.369 119.524 119.950 -0.094 0.000 2.473 204 F HA 0.214 4.743 4.527 0.002 0.000 0.294 204 F C 1.491 177.223 175.800 -0.113 0.000 1.103 204 F CA -0.377 57.576 58.000 -0.078 0.000 1.442 204 F CB 0.000 38.957 39.000 -0.072 0.000 1.097 204 F HN -0.102 nan 8.300 nan 0.000 0.547 205 I N 2.898 123.432 120.570 -0.061 0.000 2.752 205 I HA -0.148 4.023 4.170 0.002 0.000 0.286 205 I C 0.550 176.659 176.117 -0.014 0.000 1.180 205 I CA 0.347 61.600 61.300 -0.079 0.000 1.404 205 I CB 0.102 37.987 38.000 -0.191 0.000 1.389 205 I HN 0.205 nan 8.210 nan 0.000 0.549 206 N N 4.648 123.360 118.700 0.019 0.000 2.200 206 N HA 0.078 4.820 4.740 0.002 0.000 0.224 206 N C -0.112 175.408 175.510 0.016 0.000 1.179 206 N CA -0.350 52.715 53.050 0.025 0.000 0.877 206 N CB 0.388 38.900 38.487 0.042 0.000 1.072 206 N HN 0.245 nan 8.380 nan 0.000 0.519 207 K N 0.903 121.309 120.400 0.009 0.000 2.752 207 K HA 0.463 4.784 4.320 0.002 0.000 0.199 207 K C -2.271 174.326 176.600 -0.004 0.000 1.069 207 K CA -2.108 54.183 56.287 0.006 0.000 1.033 207 K CB 1.589 34.098 32.500 0.014 0.000 1.229 207 K HN -0.162 nan 8.250 nan 0.000 0.572 208 P HA -0.070 nan 4.420 nan 0.000 0.221 208 P C 0.193 177.478 177.300 -0.024 0.000 1.150 208 P CA 0.955 64.041 63.100 -0.023 0.000 0.800 208 P CB 0.432 32.119 31.700 -0.022 0.000 0.787 209 E N -1.057 119.131 120.200 -0.021 0.000 2.285 209 E HA -0.059 4.293 4.350 0.002 0.000 0.194 209 E C 1.179 177.757 176.600 -0.037 0.000 0.997 209 E CA 1.492 57.876 56.400 -0.028 0.000 0.845 209 E CB -0.324 29.362 29.700 -0.024 0.000 0.782 209 E HN 0.373 nan 8.360 nan 0.000 0.491 210 T N -3.593 110.945 114.554 -0.027 0.000 3.040 210 T HA 0.283 4.634 4.350 0.002 0.000 0.266 210 T C 1.282 175.977 174.700 -0.008 0.000 1.005 210 T CA 0.060 62.139 62.100 -0.035 0.000 0.906 210 T CB 0.802 69.660 68.868 -0.017 0.000 1.082 210 T HN 0.143 nan 8.240 nan 0.000 0.531 211 G N 1.384 110.187 108.800 0.003 0.000 2.366 211 G HA2 0.121 4.082 3.960 0.002 0.000 0.299 211 G HA3 0.121 4.082 3.960 0.002 0.000 0.299 211 G C 0.133 175.095 174.900 0.102 0.000 1.020 211 G CA 0.057 45.180 45.100 0.037 0.000 1.026 211 G HN 1.241 nan 8.290 nan 0.000 0.512 212 A N -1.118 121.744 122.820 0.070 0.000 2.479 212 A HA 0.914 5.235 4.320 0.002 0.000 0.296 212 A C -0.352 177.277 177.584 0.075 0.000 1.121 212 A CA -0.405 51.690 52.037 0.097 0.000 0.743 212 A CB 2.177 21.216 19.000 0.066 0.000 1.323 212 A HN 1.257 nan 8.150 nan 0.000 0.415 213 V N 1.333 121.302 119.914 0.092 0.000 2.357 213 V HA 0.440 4.561 4.120 0.002 0.000 0.284 213 V C -0.078 176.040 176.094 0.040 0.000 1.018 213 V CA -0.385 61.955 62.300 0.067 0.000 0.841 213 V CB 1.095 32.968 31.823 0.082 0.000 0.991 213 V HN 0.915 nan 8.190 nan 0.000 0.437 214 E N 4.802 125.021 120.200 0.032 0.000 2.166 214 E HA 0.678 5.030 4.350 0.002 0.000 0.275 214 E C -1.578 175.033 176.600 0.019 0.000 0.941 214 E CA -0.641 55.771 56.400 0.019 0.000 0.784 214 E CB 1.567 31.277 29.700 0.017 0.000 1.115 214 E HN 0.624 nan 8.360 nan 0.000 0.399 215 L N 4.028 125.256 121.223 0.010 0.000 2.404 215 L HA 0.378 4.720 4.340 0.002 0.000 0.272 215 L C -0.454 176.417 176.870 0.001 0.000 0.980 215 L CA -0.660 54.187 54.840 0.012 0.000 0.836 215 L CB 1.910 43.977 42.059 0.012 0.000 1.238 215 L HN 0.496 nan 8.230 nan 0.000 0.408 216 E N 1.722 121.924 120.200 0.003 0.000 2.289 216 E HA 0.185 4.536 4.350 0.002 0.000 0.278 216 E C 0.073 176.660 176.600 -0.022 0.000 1.032 216 E CA -0.306 56.090 56.400 -0.008 0.000 0.854 216 E CB 0.955 30.654 29.700 -0.001 0.000 1.046 216 E HN 0.577 nan 8.360 nan 0.000 0.409 217 S N 2.234 117.905 115.700 -0.048 0.000 3.447 217 S HA -0.129 4.343 4.470 0.002 0.000 0.371 217 S C -2.252 172.265 174.600 -0.139 0.000 0.951 217 S CA 0.119 58.260 58.200 -0.099 0.000 1.269 217 S CB -1.292 61.852 63.200 -0.093 0.000 0.919 217 S HN 0.442 nan 8.310 nan 0.000 0.516 218 P HA 0.555 nan 4.420 nan 0.000 0.282 218 P C -0.081 177.132 177.300 -0.144 0.000 1.259 218 P CA -0.687 62.380 63.100 -0.054 0.000 0.826 218 P CB 0.498 32.201 31.700 0.005 0.000 1.064 219 F N 0.515 120.471 119.950 0.010 0.000 2.375 219 F HA 0.420 4.948 4.527 0.002 0.000 0.333 219 F C 0.878 176.685 175.800 0.012 0.000 1.104 219 F CA -0.130 57.877 58.000 0.011 0.000 1.149 219 F CB 0.657 39.663 39.000 0.010 0.000 1.190 219 F HN 0.025 nan 8.300 nan 0.000 0.533 220 I N 3.841 124.529 120.570 0.197 0.000 2.436 220 I HA 0.303 4.475 4.170 0.002 0.000 0.289 220 I C -1.243 174.939 176.117 0.107 0.000 1.010 220 I CA -0.904 60.468 61.300 0.120 0.000 1.098 220 I CB 1.956 40.006 38.000 0.082 0.000 1.266 220 I HN 0.324 nan 8.210 nan 0.000 0.434 221 L N 8.062 129.333 121.223 0.079 0.000 2.307 221 L HA 0.614 4.955 4.340 0.002 0.000 0.284 221 L C -1.332 175.561 176.870 0.039 0.000 1.023 221 L CA -0.109 54.764 54.840 0.054 0.000 0.810 221 L CB 1.207 43.291 42.059 0.042 0.000 1.231 221 L HN 0.441 nan 8.230 nan 0.000 0.423 222 L N 6.058 127.296 121.223 0.026 0.000 2.342 222 L HA 0.843 5.184 4.340 0.002 0.000 0.276 222 L C -0.402 176.471 176.870 0.004 0.000 0.997 222 L CA -0.432 54.413 54.840 0.009 0.000 0.838 222 L CB 1.536 43.594 42.059 -0.002 0.000 1.224 222 L HN 0.763 nan 8.230 nan 0.000 0.416 223 A N 1.341 124.163 122.820 0.004 0.000 2.355 223 A HA 0.537 4.858 4.320 0.002 0.000 0.317 223 A C -0.075 177.510 177.584 0.001 0.000 1.094 223 A CA -0.485 51.555 52.037 0.005 0.000 0.764 223 A CB 1.414 20.421 19.000 0.013 0.000 1.230 223 A HN 0.671 nan 8.150 nan 0.000 0.448 224 D N 0.717 121.117 120.400 0.000 0.000 2.123 224 D HA -0.029 4.613 4.640 0.002 0.000 0.200 224 D C 0.864 177.170 176.300 0.009 0.000 0.976 224 D CA 1.443 55.443 54.000 0.001 0.000 0.831 224 D CB 0.124 40.923 40.800 -0.001 0.000 0.974 224 D HN 0.754 nan 8.370 nan 0.000 0.469 225 K N 0.342 120.749 120.400 0.012 0.000 2.138 225 K HA 0.266 4.588 4.320 0.002 0.000 0.251 225 K C -0.142 176.472 176.600 0.023 0.000 1.015 225 K CA -0.490 55.807 56.287 0.017 0.000 0.917 225 K CB 0.908 33.417 32.500 0.015 0.000 1.021 225 K HN -0.288 nan 8.250 nan 0.000 0.485 226 K N 1.421 121.837 120.400 0.026 0.000 2.339 226 K HA 0.199 4.520 4.320 0.002 0.000 0.286 226 K C -0.423 176.195 176.600 0.030 0.000 1.050 226 K CA -0.213 56.093 56.287 0.031 0.000 0.956 226 K CB 0.503 33.023 32.500 0.032 0.000 0.990 226 K HN 0.425 nan 8.250 nan 0.000 0.475 227 I N 2.156 122.747 120.570 0.036 0.000 2.342 227 I HA 0.007 4.178 4.170 0.002 0.000 0.291 227 I C 0.708 176.848 176.117 0.039 0.000 1.010 227 I CA 0.268 61.589 61.300 0.035 0.000 1.308 227 I CB 1.532 39.555 38.000 0.038 0.000 1.400 227 I HN 0.680 nan 8.210 nan 0.000 0.488 228 S N 3.321 119.041 115.700 0.033 0.000 2.631 228 S HA 0.228 4.699 4.470 0.002 0.000 0.246 228 S C 0.121 174.738 174.600 0.028 0.000 1.068 228 S CA -0.218 58.001 58.200 0.032 0.000 0.995 228 S CB 0.278 63.494 63.200 0.026 0.000 0.944 228 S HN 0.620 nan 8.310 nan 0.000 0.529 229 N N 0.787 119.502 118.700 0.025 0.000 2.269 229 N HA 0.408 5.150 4.740 0.002 0.000 0.304 229 N C 0.000 175.523 175.510 0.022 0.000 1.072 229 N CA -0.595 52.467 53.050 0.020 0.000 0.802 229 N CB 1.137 39.633 38.487 0.015 0.000 1.348 229 N HN -0.088 nan 8.380 nan 0.000 0.484 230 I N 1.345 121.927 120.570 0.020 0.000 3.291 230 I HA -0.013 4.158 4.170 0.002 0.000 0.279 230 I C 1.748 177.872 176.117 0.013 0.000 1.294 230 I CA 0.725 62.037 61.300 0.019 0.000 1.428 230 I CB -0.049 37.962 38.000 0.019 0.000 1.070 230 I HN 0.517 nan 8.210 nan 0.000 0.478 231 R N 1.926 122.432 120.500 0.011 0.000 2.112 231 R HA -0.219 4.122 4.340 0.002 0.000 0.242 231 R C 2.197 178.501 176.300 0.006 0.000 1.137 231 R CA 2.288 58.392 56.100 0.007 0.000 0.944 231 R CB -0.325 29.980 30.300 0.007 0.000 0.857 231 R HN 0.513 nan 8.270 nan 0.000 0.435 232 E N -0.491 119.714 120.200 0.008 0.000 2.435 232 E HA -0.110 4.241 4.350 0.002 0.000 0.195 232 E C 1.554 178.157 176.600 0.005 0.000 1.029 232 E CA 0.562 56.966 56.400 0.006 0.000 0.865 232 E CB -0.057 29.648 29.700 0.008 0.000 0.833 232 E HN 0.333 nan 8.360 nan 0.000 0.510 233 M N 0.829 120.435 119.600 0.009 0.000 2.200 233 M HA 0.023 4.504 4.480 0.002 0.000 0.265 233 M C 2.476 178.777 176.300 0.002 0.000 1.066 233 M CA 0.700 56.005 55.300 0.009 0.000 1.127 233 M CB -0.786 31.825 32.600 0.018 0.000 1.379 233 M HN 0.123 nan 8.290 nan 0.000 0.420 234 L N 0.485 121.709 121.223 0.001 0.000 2.030 234 L HA -0.263 4.078 4.340 0.002 0.000 0.222 234 L C -0.338 176.526 176.870 -0.011 0.000 1.082 234 L CA 2.097 56.935 54.840 -0.003 0.000 0.785 234 L CB -2.398 39.660 42.059 -0.002 0.000 0.895 234 L HN 0.198 nan 8.230 nan 0.000 0.439 235 P HA -0.112 nan 4.420 nan 0.000 0.218 235 P C 1.845 179.124 177.300 -0.033 0.000 1.149 235 P CA 1.337 64.424 63.100 -0.021 0.000 0.817 235 P CB 0.050 31.739 31.700 -0.018 0.000 0.785 236 V N 0.300 120.196 119.914 -0.031 0.000 2.323 236 V HA -0.174 3.947 4.120 0.002 0.000 0.244 236 V C 2.817 178.879 176.094 -0.052 0.000 1.041 236 V CA 1.384 63.657 62.300 -0.046 0.000 1.025 236 V CB -1.179 30.627 31.823 -0.029 0.000 0.656 236 V HN -0.005 nan 8.190 nan 0.000 0.451 237 L N -0.323 120.883 121.223 -0.028 0.000 2.083 237 L HA -0.188 4.153 4.340 0.002 0.000 0.209 237 L C 2.540 179.393 176.870 -0.029 0.000 1.083 237 L CA 1.667 56.496 54.840 -0.019 0.000 0.752 237 L CB -0.561 41.499 42.059 0.001 0.000 0.899 237 L HN 0.383 nan 8.230 nan 0.000 0.433 238 E N -0.041 120.141 120.200 -0.030 0.000 2.150 238 E HA -0.159 4.192 4.350 0.002 0.000 0.193 238 E C 2.259 178.829 176.600 -0.051 0.000 0.985 238 E CA 0.942 57.323 56.400 -0.031 0.000 0.814 238 E CB -0.054 29.631 29.700 -0.024 0.000 0.752 238 E HN 0.479 nan 8.360 nan 0.000 0.466 239 A N 0.533 123.309 122.820 -0.074 0.000 1.968 239 A HA -0.078 4.243 4.320 0.002 0.000 0.217 239 A C 2.267 179.753 177.584 -0.164 0.000 1.169 239 A CA 0.780 52.751 52.037 -0.111 0.000 0.638 239 A CB -0.200 18.723 19.000 -0.128 0.000 0.812 239 A HN 0.204 nan 8.150 nan 0.000 0.446 240 V N -0.872 118.945 119.914 -0.162 0.000 3.235 240 V HA 0.098 4.220 4.120 0.002 0.000 0.259 240 V C 2.550 178.605 176.094 -0.065 0.000 1.133 240 V CA 1.377 63.567 62.300 -0.183 0.000 1.128 240 V CB -0.076 31.654 31.823 -0.154 0.000 0.757 240 V HN 0.560 nan 8.190 nan 0.000 0.469 241 A N 1.279 124.074 122.820 -0.041 0.000 1.898 241 A HA -0.133 4.188 4.320 0.002 0.000 0.214 241 A C 2.037 179.617 177.584 -0.007 0.000 1.183 241 A CA 1.701 53.732 52.037 -0.010 0.000 0.622 241 A CB -0.315 18.681 19.000 -0.007 0.000 0.824 241 A HN 0.670 nan 8.150 nan 0.000 0.444 242 K N 0.059 120.447 120.400 -0.021 0.000 2.366 242 K HA 0.353 4.674 4.320 0.002 0.000 0.198 242 K C 1.540 178.136 176.600 -0.006 0.000 1.044 242 K CA 1.332 57.612 56.287 -0.013 0.000 0.973 242 K CB -0.486 32.002 32.500 -0.019 0.000 0.767 242 K HN 0.222 nan 8.250 nan 0.000 0.475 243 A N 1.413 124.221 122.820 -0.020 0.000 1.975 243 A HA 0.312 4.634 4.320 0.002 0.000 0.215 243 A C 1.480 179.107 177.584 0.070 0.000 1.170 243 A CA 0.548 52.594 52.037 0.015 0.000 0.656 243 A CB -0.872 18.099 19.000 -0.050 0.000 0.821 243 A HN 0.611 nan 8.150 nan 0.000 0.449 244 G N -0.720 108.115 108.800 0.059 0.000 2.417 244 G HA2 -0.149 3.813 3.960 0.002 0.000 0.291 244 G HA3 -0.149 3.813 3.960 0.002 0.000 0.291 244 G C -0.324 174.645 174.900 0.115 0.000 1.094 244 G CA 0.572 45.716 45.100 0.072 0.000 1.146 244 G HN 0.643 nan 8.290 nan 0.000 0.519 245 K N 0.096 120.589 120.400 0.155 0.000 2.562 245 K HA 0.562 4.884 4.320 0.002 0.000 0.267 245 K C -2.673 174.041 176.600 0.190 0.000 0.938 245 K CA -1.864 54.542 56.287 0.199 0.000 0.840 245 K CB 2.617 35.323 32.500 0.344 0.000 1.390 245 K HN 0.059 nan 8.250 nan 0.000 0.428 246 P HA 0.061 nan 4.420 nan 0.000 0.269 246 P C -1.362 176.024 177.300 0.143 0.000 1.215 246 P CA -0.464 62.702 63.100 0.110 0.000 0.780 246 P CB 0.456 32.197 31.700 0.069 0.000 0.898 247 L N 3.092 124.377 121.223 0.104 0.000 2.356 247 L HA 0.559 4.901 4.340 0.002 0.000 0.277 247 L C -1.408 175.491 176.870 0.047 0.000 0.996 247 L CA -0.830 54.071 54.840 0.102 0.000 0.822 247 L CB 1.464 43.572 42.059 0.081 0.000 1.256 247 L HN 0.132 nan 8.230 nan 0.000 0.413 248 L N 6.308 127.562 121.223 0.051 0.000 2.282 248 L HA 0.642 4.983 4.340 0.002 0.000 0.288 248 L C -1.054 175.833 176.870 0.029 0.000 1.033 248 L CA 0.033 54.881 54.840 0.013 0.000 0.807 248 L CB 1.190 43.264 42.059 0.024 0.000 1.209 248 L HN 0.580 nan 8.230 nan 0.000 0.423 249 I N 6.556 127.127 120.570 0.001 0.000 2.355 249 I HA 0.383 4.554 4.170 0.002 0.000 0.288 249 I C -0.598 175.540 176.117 0.035 0.000 0.999 249 I CA -0.228 61.084 61.300 0.020 0.000 1.163 249 I CB 1.268 39.276 38.000 0.014 0.000 1.316 249 I HN 0.482 nan 8.210 nan 0.000 0.454 250 I N 6.477 127.076 120.570 0.049 0.000 2.359 250 I HA 0.686 4.858 4.170 0.002 0.000 0.284 250 I C 0.103 176.235 176.117 0.024 0.000 1.018 250 I CA -0.156 61.176 61.300 0.054 0.000 1.173 250 I CB 1.161 39.195 38.000 0.057 0.000 1.326 250 I HN 0.634 nan 8.210 nan 0.000 0.462 251 A N 4.414 127.252 122.820 0.031 0.000 2.532 251 A HA 0.459 4.780 4.320 0.002 0.000 0.290 251 A C 0.810 178.412 177.584 0.029 0.000 1.143 251 A CA -0.545 51.506 52.037 0.024 0.000 0.728 251 A CB 1.500 20.517 19.000 0.030 0.000 1.317 251 A HN 0.715 nan 8.150 nan 0.000 0.414 252 E N -0.515 119.701 120.200 0.026 0.000 2.086 252 E HA -0.226 4.125 4.350 0.002 0.000 0.205 252 E C -0.185 176.443 176.600 0.047 0.000 1.027 252 E CA 2.182 58.603 56.400 0.035 0.000 0.830 252 E CB 0.072 29.792 29.700 0.034 0.000 0.751 252 E HN 0.651 nan 8.360 nan 0.000 0.456 253 D N -2.353 118.075 120.400 0.047 0.000 2.623 253 D HA 0.273 4.914 4.640 0.002 0.000 0.241 253 D C -1.940 174.396 176.300 0.059 0.000 1.241 253 D CA -0.569 53.465 54.000 0.056 0.000 0.788 253 D CB 2.141 42.973 40.800 0.053 0.000 1.413 253 D HN -0.127 nan 8.370 nan 0.000 0.429 254 V N 2.298 122.257 119.914 0.075 0.000 2.483 254 V HA 0.647 4.769 4.120 0.002 0.000 0.297 254 V C -0.564 175.586 176.094 0.093 0.000 1.027 254 V CA -0.493 61.857 62.300 0.084 0.000 0.855 254 V CB 1.357 33.240 31.823 0.100 0.000 0.995 254 V HN 0.658 nan 8.190 nan 0.000 0.424 255 E N 3.158 123.403 120.200 0.075 0.000 2.430 255 E HA 0.773 5.124 4.350 0.002 0.000 0.279 255 E C 0.238 176.870 176.600 0.053 0.000 1.003 255 E CA -0.361 56.080 56.400 0.067 0.000 0.801 255 E CB 1.914 31.647 29.700 0.055 0.000 1.313 255 E HN 1.087 nan 8.360 nan 0.000 0.459 256 G N 1.573 110.400 108.800 0.044 0.000 2.547 256 G HA2 -0.465 3.496 3.960 0.002 0.000 0.271 256 G HA3 -0.465 3.496 3.960 0.002 0.000 0.271 256 G C 0.885 175.801 174.900 0.028 0.000 1.209 256 G CA 0.672 45.790 45.100 0.030 0.000 0.959 256 G HN 0.893 nan 8.290 nan 0.000 0.563 257 E N 0.475 120.688 120.200 0.021 0.000 2.065 257 E HA -0.211 4.141 4.350 0.002 0.000 0.201 257 E C 2.897 179.513 176.600 0.027 0.000 1.016 257 E CA 2.631 59.041 56.400 0.017 0.000 0.818 257 E CB -0.545 29.163 29.700 0.014 0.000 0.749 257 E HN 1.145 nan 8.360 nan 0.000 0.453 258 A N 1.134 123.976 122.820 0.037 0.000 1.859 258 A HA -0.234 4.087 4.320 0.002 0.000 0.217 258 A C 2.235 179.862 177.584 0.072 0.000 1.198 258 A CA 1.859 53.927 52.037 0.051 0.000 0.629 258 A CB -0.981 18.052 19.000 0.055 0.000 0.830 258 A HN 0.404 nan 8.150 nan 0.000 0.446 259 L N -0.558 120.716 121.223 0.086 0.000 2.046 259 L HA -0.058 4.283 4.340 0.002 0.000 0.208 259 L C 2.759 179.666 176.870 0.061 0.000 1.077 259 L CA 2.143 57.055 54.840 0.120 0.000 0.747 259 L CB -0.607 41.529 42.059 0.129 0.000 0.896 259 L HN 0.376 nan 8.230 nan 0.000 0.432 260 A N -1.809 121.026 122.820 0.025 0.000 1.972 260 A HA -0.185 4.137 4.320 0.002 0.000 0.219 260 A C 2.235 179.805 177.584 -0.023 0.000 1.169 260 A CA 2.193 54.220 52.037 -0.017 0.000 0.635 260 A CB -1.038 17.952 19.000 -0.017 0.000 0.810 260 A HN 0.512 nan 8.150 nan 0.000 0.446 261 T N 0.344 114.901 114.554 0.005 0.000 2.812 261 T HA -0.001 4.350 4.350 0.002 0.000 0.264 261 T C 1.816 176.528 174.700 0.020 0.000 1.042 261 T CA 1.311 63.415 62.100 0.006 0.000 1.140 261 T CB -0.315 68.563 68.868 0.017 0.000 0.870 261 T HN 0.365 nan 8.240 nan 0.000 0.445 262 L N 0.761 122.019 121.223 0.059 0.000 2.027 262 L HA -0.050 4.291 4.340 0.002 0.000 0.206 262 L C 2.706 179.621 176.870 0.076 0.000 1.074 262 L CA 0.782 55.690 54.840 0.114 0.000 0.745 262 L CB -0.815 41.375 42.059 0.220 0.000 0.898 262 L HN 0.111 nan 8.230 nan 0.000 0.433 263 V N -0.378 119.512 119.914 -0.041 0.000 2.287 263 V HA -0.275 3.846 4.120 0.002 0.000 0.248 263 V C 2.440 178.440 176.094 -0.158 0.000 1.053 263 V CA 1.726 63.883 62.300 -0.240 0.000 1.027 263 V CB -0.343 31.282 31.823 -0.330 0.000 0.646 263 V HN 0.205 nan 8.190 nan 0.000 0.447 264 V N 0.181 120.027 119.914 -0.114 0.000 2.307 264 V HA -0.258 3.863 4.120 0.002 0.000 0.245 264 V C 2.123 178.187 176.094 -0.050 0.000 1.045 264 V CA 2.352 64.594 62.300 -0.097 0.000 1.024 264 V CB -0.916 30.857 31.823 -0.083 0.000 0.651 264 V HN 0.610 nan 8.190 nan 0.000 0.449 265 N N -0.336 118.354 118.700 -0.017 0.000 2.058 265 N HA -0.211 4.530 4.740 0.002 0.000 0.191 265 N C 1.981 177.504 175.510 0.022 0.000 1.037 265 N CA 1.860 54.914 53.050 0.007 0.000 0.848 265 N CB -0.216 38.285 38.487 0.024 0.000 1.021 265 N HN 0.438 nan 8.380 nan 0.000 0.422 266 T N 0.859 115.442 114.554 0.047 0.000 2.821 266 T HA -0.064 4.287 4.350 0.002 0.000 0.267 266 T C 1.866 176.593 174.700 0.045 0.000 1.046 266 T CA 0.801 62.947 62.100 0.076 0.000 1.139 266 T CB -0.020 68.948 68.868 0.167 0.000 0.871 266 T HN 0.139 nan 8.240 nan 0.000 0.454 267 M N 0.639 120.242 119.600 0.006 0.000 2.099 267 M HA -0.040 4.441 4.480 0.002 0.000 0.262 267 M C 1.646 177.943 176.300 -0.006 0.000 1.067 267 M CA 1.644 56.939 55.300 -0.008 0.000 1.124 267 M CB 0.046 32.612 32.600 -0.057 0.000 1.353 267 M HN 0.196 nan 8.290 nan 0.000 0.410 268 R N -0.287 120.203 120.500 -0.017 0.000 2.515 268 R HA 0.469 4.810 4.340 0.002 0.000 0.294 268 R C 0.436 176.733 176.300 -0.005 0.000 1.021 268 R CA 0.395 56.485 56.100 -0.016 0.000 1.081 268 R CB -0.206 30.075 30.300 -0.032 0.000 1.263 268 R HN 0.410 nan 8.270 nan 0.000 0.557 269 G N 0.295 109.099 108.800 0.007 0.000 1.969 269 G HA2 -0.133 3.829 3.960 0.002 0.000 0.055 269 G HA3 -0.133 3.829 3.960 0.002 0.000 0.055 269 G C 0.367 175.280 174.900 0.022 0.000 0.734 269 G CA -0.171 44.936 45.100 0.012 0.000 1.109 269 G HN 0.078 nan 8.290 nan 0.000 0.348 270 I N 1.451 122.033 120.570 0.020 0.000 2.286 270 I HA 0.127 4.298 4.170 0.002 0.000 0.245 270 I C 0.658 176.792 176.117 0.029 0.000 1.104 270 I CA 1.536 62.848 61.300 0.020 0.000 1.397 270 I CB 0.248 38.256 38.000 0.014 0.000 1.072 270 I HN 0.257 nan 8.210 nan 0.000 0.417 271 V N -0.809 119.127 119.914 0.038 0.000 2.531 271 V HA 0.364 4.485 4.120 0.002 0.000 0.301 271 V C -0.302 175.833 176.094 0.068 0.000 1.034 271 V CA -1.161 61.168 62.300 0.049 0.000 0.865 271 V CB 1.393 33.242 31.823 0.044 0.000 0.995 271 V HN 0.034 nan 8.190 nan 0.000 0.424 272 K N 3.219 123.661 120.400 0.071 0.000 2.338 272 K HA 0.592 4.914 4.320 0.002 0.000 0.290 272 K C -0.898 175.759 176.600 0.095 0.000 1.069 272 K CA -0.047 56.292 56.287 0.087 0.000 0.941 272 K CB 0.697 33.240 32.500 0.073 0.000 1.023 272 K HN 0.720 nan 8.250 nan 0.000 0.477 273 V N 2.408 122.403 119.914 0.135 0.000 2.962 273 V HA 0.829 4.950 4.120 0.002 0.000 0.313 273 V C -0.945 175.174 176.094 0.042 0.000 1.099 273 V CA -0.966 61.401 62.300 0.111 0.000 0.971 273 V CB 1.896 33.812 31.823 0.154 0.000 1.028 273 V HN 0.870 nan 8.190 nan 0.000 0.430 274 A N 2.209 124.905 122.820 -0.207 0.000 2.520 274 A HA 0.978 5.300 4.320 0.002 0.000 0.298 274 A C -0.833 176.408 177.584 -0.572 0.000 1.051 274 A CA -0.150 51.449 52.037 -0.730 0.000 0.690 274 A CB 1.903 20.654 19.000 -0.416 0.000 1.281 274 A HN 1.703 nan 8.150 nan 0.000 0.402 275 A N 1.061 123.398 122.820 -0.806 0.000 2.343 275 A HA 0.794 5.115 4.320 0.002 0.000 0.308 275 A C -0.355 177.151 177.584 -0.130 0.000 1.092 275 A CA -0.099 51.773 52.037 -0.275 0.000 0.751 275 A CB 1.061 20.012 19.000 -0.081 0.000 1.203 275 A HN 2.292 nan 8.150 nan 0.000 0.452 276 V N -0.060 119.844 119.914 -0.017 0.000 2.823 276 V HA 0.655 4.776 4.120 0.002 0.000 0.312 276 V C -0.359 175.796 176.094 0.102 0.000 1.072 276 V CA -1.220 61.116 62.300 0.061 0.000 0.937 276 V CB 1.481 33.356 31.823 0.088 0.000 1.013 276 V HN 0.828 nan 8.190 nan 0.000 0.430 277 K N 2.319 122.786 120.400 0.112 0.000 2.355 277 K HA 0.608 4.929 4.320 0.002 0.000 0.270 277 K C 0.466 177.139 176.600 0.123 0.000 1.003 277 K CA 0.421 56.769 56.287 0.103 0.000 0.957 277 K CB 0.978 33.534 32.500 0.093 0.000 0.939 277 K HN 1.123 nan 8.250 nan 0.000 0.482 278 A N 4.338 127.188 122.820 0.050 0.000 2.425 278 A HA 0.230 4.552 4.320 0.002 0.000 0.249 278 A C -2.090 175.482 177.584 -0.021 0.000 1.084 278 A CA -1.189 50.822 52.037 -0.043 0.000 0.781 278 A CB -0.300 18.662 19.000 -0.063 0.000 1.019 278 A HN 0.461 nan 8.150 nan 0.000 0.490 279 P HA 0.386 nan 4.420 nan 0.000 0.272 279 P C 0.759 178.072 177.300 0.022 0.000 1.223 279 P CA 1.403 64.503 63.100 -0.000 0.000 0.784 279 P CB 0.645 32.296 31.700 -0.082 0.000 0.923 280 G N 1.729 110.594 108.800 0.109 0.000 2.645 280 G HA2 -0.066 3.895 3.960 0.002 0.000 0.246 280 G HA3 -0.066 3.895 3.960 0.002 0.000 0.246 280 G C -0.750 174.321 174.900 0.284 0.000 1.322 280 G CA 0.150 45.360 45.100 0.182 0.000 0.898 280 G HN 0.745 nan 8.290 nan 0.000 0.573 281 F N -2.783 117.175 119.950 0.013 0.000 2.715 281 F HA 0.806 5.335 4.527 0.003 0.000 0.318 281 F C 1.128 176.935 175.800 0.012 0.000 1.141 281 F CA 0.255 58.262 58.000 0.012 0.000 0.950 281 F CB 0.767 39.779 39.000 0.019 0.000 1.374 281 F HN 2.439 nan 8.300 nan 0.000 0.477 282 G N 1.266 110.067 108.800 0.002 0.000 2.622 282 G HA2 -0.345 3.617 3.960 0.002 0.000 0.307 282 G HA3 -0.345 3.617 3.960 0.002 0.000 0.307 282 G C 0.373 175.199 174.900 -0.122 0.000 1.226 282 G CA 0.898 45.937 45.100 -0.103 0.000 0.997 282 G HN 0.872 nan 8.290 nan 0.000 0.551 283 D N 0.507 120.812 120.400 -0.158 0.000 2.149 283 D HA 0.001 4.642 4.640 0.002 0.000 0.201 283 D C 2.646 178.878 176.300 -0.114 0.000 0.972 283 D CA 1.260 55.194 54.000 -0.109 0.000 0.835 283 D CB -0.233 40.512 40.800 -0.093 0.000 0.966 283 D HN 0.509 nan 8.370 nan 0.000 0.476 284 R N 0.314 120.716 120.500 -0.164 0.000 2.148 284 R HA 0.058 4.400 4.340 0.002 0.000 0.227 284 R C 2.277 178.512 176.300 -0.108 0.000 1.103 284 R CA 0.385 56.405 56.100 -0.133 0.000 0.983 284 R CB 0.014 30.222 30.300 -0.154 0.000 0.874 284 R HN 0.078 nan 8.270 nan 0.000 0.451 285 R N 1.203 121.642 120.500 -0.102 0.000 2.073 285 R HA -0.125 4.216 4.340 0.002 0.000 0.234 285 R C 1.461 177.720 176.300 -0.069 0.000 1.134 285 R CA 1.428 57.489 56.100 -0.065 0.000 0.952 285 R CB 0.128 30.418 30.300 -0.017 0.000 0.850 285 R HN 0.038 nan 8.270 nan 0.000 0.433 286 K N -0.063 120.300 120.400 -0.060 0.000 2.148 286 K HA -0.049 4.273 4.320 0.002 0.000 0.204 286 K C 1.971 178.536 176.600 -0.059 0.000 1.050 286 K CA 1.210 57.465 56.287 -0.052 0.000 0.942 286 K CB -0.237 32.239 32.500 -0.040 0.000 0.724 286 K HN 0.209 nan 8.250 nan 0.000 0.446 287 A N 1.688 124.469 122.820 -0.065 0.000 1.872 287 A HA -0.042 4.280 4.320 0.002 0.000 0.214 287 A C 2.273 179.813 177.584 -0.073 0.000 1.187 287 A CA 1.192 53.191 52.037 -0.063 0.000 0.614 287 A CB -0.381 18.582 19.000 -0.062 0.000 0.826 287 A HN 0.155 nan 8.150 nan 0.000 0.442 288 M N -0.703 118.841 119.600 -0.092 0.000 2.296 288 M HA 0.003 4.485 4.480 0.002 0.000 0.265 288 M C 1.974 178.184 176.300 -0.151 0.000 1.064 288 M CA 0.902 56.130 55.300 -0.120 0.000 1.109 288 M CB -0.366 32.147 32.600 -0.144 0.000 1.396 288 M HN 0.365 nan 8.290 nan 0.000 0.430 289 L N -0.172 120.971 121.223 -0.133 0.000 2.141 289 L HA -0.215 4.127 4.340 0.002 0.000 0.209 289 L C 2.534 179.354 176.870 -0.084 0.000 1.094 289 L CA 1.037 55.803 54.840 -0.124 0.000 0.763 289 L CB -0.290 41.715 42.059 -0.091 0.000 0.908 289 L HN 0.287 nan 8.230 nan 0.000 0.437 290 Q N -0.081 119.679 119.800 -0.066 0.000 2.245 290 Q HA -0.164 4.178 4.340 0.002 0.000 0.201 290 Q C 1.571 177.546 176.000 -0.043 0.000 0.955 290 Q CA 1.308 57.084 55.803 -0.045 0.000 0.870 290 Q CB 0.012 28.727 28.738 -0.038 0.000 0.945 290 Q HN 0.383 nan 8.270 nan 0.000 0.461 291 D N -0.342 120.025 120.400 -0.055 0.000 2.097 291 D HA -0.139 4.502 4.640 0.002 0.000 0.195 291 D C 1.716 177.996 176.300 -0.034 0.000 0.989 291 D CA 1.243 55.216 54.000 -0.044 0.000 0.827 291 D CB -0.133 40.636 40.800 -0.052 0.000 0.966 291 D HN 0.335 nan 8.370 nan 0.000 0.456 292 I N 1.062 121.599 120.570 -0.055 0.000 2.252 292 I HA -0.206 3.965 4.170 0.002 0.000 0.245 292 I C 2.479 178.590 176.117 -0.010 0.000 1.102 292 I CA 0.886 62.169 61.300 -0.028 0.000 1.385 292 I CB -0.275 37.685 38.000 -0.066 0.000 1.064 292 I HN -0.087 nan 8.210 nan 0.000 0.414 293 A N 0.852 123.659 122.820 -0.021 0.000 1.884 293 A HA -0.277 4.044 4.320 0.002 0.000 0.219 293 A C 2.410 179.994 177.584 -0.001 0.000 1.197 293 A CA 2.886 54.919 52.037 -0.007 0.000 0.637 293 A CB -1.373 17.619 19.000 -0.013 0.000 0.827 293 A HN 0.439 nan 8.150 nan 0.000 0.450 294 T N -0.077 114.473 114.554 -0.007 0.000 2.746 294 T HA -0.114 4.237 4.350 0.002 0.000 0.267 294 T C 1.847 176.547 174.700 0.000 0.000 1.039 294 T CA 1.394 63.492 62.100 -0.004 0.000 1.142 294 T CB -0.344 68.519 68.868 -0.008 0.000 0.866 294 T HN 0.342 nan 8.240 nan 0.000 0.444 295 L N 1.206 122.431 121.223 0.003 0.000 2.109 295 L HA -0.081 4.260 4.340 0.002 0.000 0.207 295 L C 2.674 179.549 176.870 0.009 0.000 1.086 295 L CA 1.447 56.292 54.840 0.008 0.000 0.760 295 L CB -0.399 41.670 42.059 0.017 0.000 0.910 295 L HN 0.438 nan 8.230 nan 0.000 0.437 296 T N -4.168 110.393 114.554 0.012 0.000 3.065 296 T HA 0.182 4.533 4.350 0.002 0.000 0.252 296 T C 1.273 175.978 174.700 0.009 0.000 1.099 296 T CA 0.360 62.466 62.100 0.010 0.000 1.063 296 T CB 0.202 69.084 68.868 0.023 0.000 0.948 296 T HN 0.445 nan 8.240 nan 0.000 0.506 297 G N 0.693 109.500 108.800 0.010 0.000 2.225 297 G HA2 0.100 4.061 3.960 0.002 0.000 0.264 297 G HA3 0.100 4.061 3.960 0.002 0.000 0.264 297 G C 0.243 175.158 174.900 0.024 0.000 1.060 297 G CA -0.203 44.905 45.100 0.013 0.000 0.833 297 G HN 1.008 nan 8.290 nan 0.000 0.498 298 G N -1.621 107.194 108.800 0.025 0.000 3.016 298 G HA2 0.877 4.839 3.960 0.002 0.000 0.270 298 G HA3 0.877 4.839 3.960 0.002 0.000 0.270 298 G C -0.493 174.419 174.900 0.020 0.000 1.352 298 G CA 0.172 45.292 45.100 0.033 0.000 1.060 298 G HN 0.782 nan 8.290 nan 0.000 0.538 299 T N -0.027 114.539 114.554 0.021 0.000 2.848 299 T HA 0.448 4.799 4.350 0.002 0.000 0.285 299 T C -0.272 174.432 174.700 0.007 0.000 0.995 299 T CA -0.357 61.749 62.100 0.011 0.000 0.970 299 T CB 1.837 70.711 68.868 0.011 0.000 0.976 299 T HN 0.372 nan 8.240 nan 0.000 0.441 300 V N 3.875 123.788 119.914 -0.001 0.000 2.479 300 V HA 0.171 4.293 4.120 0.002 0.000 0.281 300 V C 0.178 176.271 176.094 -0.002 0.000 1.031 300 V CA -0.358 61.939 62.300 -0.005 0.000 1.038 300 V CB -0.152 31.663 31.823 -0.015 0.000 0.981 300 V HN 0.719 nan 8.190 nan 0.000 0.478 301 I N 5.683 126.254 120.570 0.000 0.000 2.294 301 I HA 0.245 4.416 4.170 0.002 0.000 0.295 301 I C 0.553 176.670 176.117 -0.000 0.000 1.098 301 I CA 0.801 62.102 61.300 0.002 0.000 1.277 301 I CB 0.676 38.678 38.000 0.004 0.000 1.434 301 I HN 0.722 nan 8.210 nan 0.000 0.498 302 S N 3.377 119.076 115.700 -0.001 0.000 2.500 302 S HA 0.460 4.931 4.470 0.002 0.000 0.301 302 S C 0.521 175.121 174.600 -0.000 0.000 1.092 302 S CA -0.879 57.319 58.200 -0.002 0.000 1.030 302 S CB 1.779 64.975 63.200 -0.005 0.000 1.031 302 S HN 0.589 nan 8.310 nan 0.000 0.483 303 E N 1.568 121.769 120.200 0.002 0.000 2.208 303 E HA -0.131 4.221 4.350 0.002 0.000 0.193 303 E C 1.229 177.830 176.600 0.002 0.000 0.988 303 E CA 0.944 57.346 56.400 0.003 0.000 0.828 303 E CB -0.016 29.687 29.700 0.005 0.000 0.763 303 E HN 0.800 nan 8.360 nan 0.000 0.478 304 E N 0.844 121.044 120.200 0.000 0.000 2.058 304 E HA -0.184 4.167 4.350 0.002 0.000 0.194 304 E C 2.036 178.635 176.600 -0.001 0.000 0.997 304 E CA 1.086 57.485 56.400 -0.001 0.000 0.801 304 E CB -0.076 29.622 29.700 -0.003 0.000 0.746 304 E HN 0.271 nan 8.360 nan 0.000 0.450 305 I N -0.845 119.724 120.570 -0.002 0.000 2.353 305 I HA -0.055 4.117 4.170 0.002 0.000 0.248 305 I C 1.535 177.651 176.117 -0.001 0.000 1.119 305 I CA 1.046 62.345 61.300 -0.002 0.000 1.417 305 I CB -0.004 37.995 38.000 -0.003 0.000 1.078 305 I HN 0.357 nan 8.210 nan 0.000 0.421 306 G N 0.520 109.320 108.800 -0.000 0.000 2.155 306 G HA2 -0.146 3.816 3.960 0.002 0.000 0.130 306 G HA3 -0.146 3.816 3.960 0.002 0.000 0.130 306 G C 0.144 175.045 174.900 0.001 0.000 1.027 306 G CA -0.630 44.471 45.100 0.001 0.000 0.705 306 G HN 0.083 nan 8.290 nan 0.000 0.496 307 M N 1.170 120.770 119.600 0.001 0.000 2.228 307 M HA 0.415 4.896 4.480 0.002 0.000 0.351 307 M C 0.427 176.728 176.300 0.002 0.000 1.233 307 M CA 0.606 55.907 55.300 0.001 0.000 1.129 307 M CB 0.547 33.148 32.600 0.001 0.000 1.604 307 M HN 0.265 nan 8.290 nan 0.000 0.457 308 E N 2.358 122.558 120.200 0.001 0.000 2.212 308 E HA 0.255 4.606 4.350 0.002 0.000 0.270 308 E C 0.154 176.755 176.600 0.001 0.000 0.956 308 E CA -0.526 55.875 56.400 0.002 0.000 0.825 308 E CB 1.598 31.299 29.700 0.001 0.000 1.167 308 E HN 0.662 nan 8.360 nan 0.000 0.400 309 L N 1.715 122.940 121.223 0.002 0.000 2.551 309 L HA -0.100 4.242 4.340 0.002 0.000 0.228 309 L C 1.261 178.129 176.870 -0.002 0.000 1.153 309 L CA 0.896 55.736 54.840 0.002 0.000 0.851 309 L CB -0.099 41.963 42.059 0.005 0.000 0.959 309 L HN 0.561 nan 8.230 nan 0.000 0.451 310 E N -0.029 120.169 120.200 -0.003 0.000 2.102 310 E HA -0.033 4.319 4.350 0.002 0.000 0.190 310 E C 0.698 177.294 176.600 -0.008 0.000 0.971 310 E CA 0.561 56.957 56.400 -0.006 0.000 0.821 310 E CB 0.185 29.883 29.700 -0.004 0.000 0.777 310 E HN 0.176 nan 8.360 nan 0.000 0.460 311 K N 1.085 121.482 120.400 -0.006 0.000 2.737 311 K HA 0.420 4.741 4.320 0.002 0.000 0.251 311 K C -0.901 175.695 176.600 -0.006 0.000 1.280 311 K CA -0.128 56.156 56.287 -0.006 0.000 1.219 311 K CB 0.407 32.905 32.500 -0.004 0.000 1.587 311 K HN -0.007 nan 8.250 nan 0.000 0.279 312 A N 1.236 124.050 122.820 -0.010 0.000 2.550 312 A HA 0.249 4.570 4.320 0.002 0.000 0.282 312 A C 0.065 177.637 177.584 -0.020 0.000 1.071 312 A CA -0.841 51.190 52.037 -0.010 0.000 0.838 312 A CB 0.553 19.550 19.000 -0.006 0.000 1.361 312 A HN 0.361 nan 8.150 nan 0.000 0.408 313 T N -0.094 114.448 114.554 -0.020 0.000 2.867 313 T HA 0.546 4.898 4.350 0.002 0.000 0.286 313 T C 1.378 176.051 174.700 -0.046 0.000 1.022 313 T CA -0.371 61.708 62.100 -0.036 0.000 0.933 313 T CB 0.152 69.004 68.868 -0.026 0.000 1.280 313 T HN 0.343 nan 8.240 nan 0.000 0.566 314 L N 0.098 121.277 121.223 -0.073 0.000 2.131 314 L HA -0.037 4.304 4.340 0.002 0.000 0.210 314 L C 2.975 179.857 176.870 0.021 0.000 1.092 314 L CA 1.607 56.389 54.840 -0.096 0.000 0.759 314 L CB -0.743 41.227 42.059 -0.149 0.000 0.903 314 L HN 0.792 nan 8.230 nan 0.000 0.435 315 E N 0.693 120.907 120.200 0.023 0.000 2.097 315 E HA -0.269 4.082 4.350 0.002 0.000 0.196 315 E C 1.708 178.338 176.600 0.049 0.000 1.000 315 E CA 1.878 58.304 56.400 0.043 0.000 0.804 315 E CB -0.136 29.579 29.700 0.024 0.000 0.740 315 E HN 0.420 nan 8.360 nan 0.000 0.454 316 D N -0.523 119.898 120.400 0.034 0.000 2.144 316 D HA -0.087 4.555 4.640 0.002 0.000 0.200 316 D C 0.088 176.422 176.300 0.057 0.000 0.978 316 D CA 0.344 54.364 54.000 0.034 0.000 0.833 316 D CB -0.097 40.713 40.800 0.018 0.000 0.961 316 D HN 0.169 nan 8.370 nan 0.000 0.470 317 L N 1.249 122.522 121.223 0.082 0.000 2.462 317 L HA 0.208 4.549 4.340 0.002 0.000 0.272 317 L C 1.255 178.235 176.870 0.184 0.000 1.166 317 L CA 0.213 55.138 54.840 0.142 0.000 0.880 317 L CB 0.758 42.928 42.059 0.185 0.000 1.142 317 L HN -0.178 nan 8.230 nan 0.000 0.473 318 G N 3.079 111.955 108.800 0.127 0.000 2.507 318 G HA2 0.521 4.483 3.960 0.002 0.000 0.271 318 G HA3 0.521 4.483 3.960 0.002 0.000 0.271 318 G C -0.651 174.277 174.900 0.046 0.000 1.189 318 G CA -0.396 44.750 45.100 0.078 0.000 0.859 318 G HN 0.586 nan 8.290 nan 0.000 0.542 319 Q N -1.095 118.684 119.800 -0.035 0.000 2.433 319 Q HA 0.672 5.013 4.340 0.002 0.000 0.279 319 Q C -0.484 175.460 176.000 -0.093 0.000 1.105 319 Q CA -0.774 54.943 55.803 -0.144 0.000 0.815 319 Q CB 2.554 31.125 28.738 -0.279 0.000 1.403 319 Q HN 0.792 nan 8.270 nan 0.000 0.435 320 A N 0.771 123.527 122.820 -0.106 0.000 2.569 320 A HA 0.457 4.778 4.320 0.002 0.000 0.290 320 A C -0.205 177.330 177.584 -0.082 0.000 1.136 320 A CA -0.545 51.451 52.037 -0.068 0.000 0.710 320 A CB 1.451 20.431 19.000 -0.033 0.000 1.303 320 A HN 0.572 nan 8.150 nan 0.000 0.413 321 K N -0.464 119.901 120.400 -0.057 0.000 2.228 321 K HA 0.094 4.416 4.320 0.002 0.000 0.202 321 K C 0.366 176.940 176.600 -0.044 0.000 1.051 321 K CA 1.078 57.334 56.287 -0.053 0.000 0.960 321 K CB -0.057 32.421 32.500 -0.038 0.000 0.743 321 K HN 0.618 nan 8.250 nan 0.000 0.458 322 R N -0.905 119.573 120.500 -0.036 0.000 2.725 322 R HA 0.154 4.495 4.340 0.002 0.000 0.254 322 R C -1.757 174.529 176.300 -0.024 0.000 1.076 322 R CA -0.456 55.627 56.100 -0.027 0.000 0.940 322 R CB 1.471 31.759 30.300 -0.021 0.000 1.260 322 R HN -0.099 nan 8.270 nan 0.000 0.466 323 V N 0.298 120.199 119.914 -0.021 0.000 2.735 323 V HA 0.848 4.969 4.120 0.002 0.000 0.310 323 V C -1.089 174.989 176.094 -0.027 0.000 1.061 323 V CA -0.660 61.623 62.300 -0.028 0.000 0.913 323 V CB 2.118 33.926 31.823 -0.025 0.000 1.005 323 V HN 0.398 nan 8.190 nan 0.000 0.428 324 V N 5.574 125.463 119.914 -0.042 0.000 2.407 324 V HA 0.545 4.667 4.120 0.002 0.000 0.291 324 V C -0.317 175.749 176.094 -0.048 0.000 1.018 324 V CA -0.254 62.029 62.300 -0.027 0.000 0.842 324 V CB 1.387 33.198 31.823 -0.019 0.000 0.996 324 V HN 0.839 nan 8.190 nan 0.000 0.426 325 I N 4.635 125.199 120.570 -0.009 0.000 2.362 325 I HA 0.458 4.629 4.170 0.002 0.000 0.289 325 I C 0.242 176.407 176.117 0.081 0.000 0.994 325 I CA -0.165 61.136 61.300 0.001 0.000 1.158 325 I CB 1.454 39.471 38.000 0.029 0.000 1.315 325 I HN 0.505 nan 8.210 nan 0.000 0.451 326 N N 4.057 122.756 118.700 -0.002 0.000 2.593 326 N HA 0.241 4.983 4.740 0.002 0.000 0.304 326 N C 0.894 176.260 175.510 -0.240 0.000 1.296 326 N CA -0.469 52.582 53.050 0.002 0.000 0.950 326 N CB 0.922 39.394 38.487 -0.025 0.000 1.127 326 N HN 0.498 nan 8.380 nan 0.000 0.587 327 K N -0.592 119.631 120.400 -0.294 0.000 2.283 327 K HA -0.088 4.234 4.320 0.002 0.000 0.202 327 K C -0.599 175.701 176.600 -0.501 0.000 1.048 327 K CA 1.694 57.578 56.287 -0.671 0.000 0.948 327 K CB 0.038 32.393 32.500 -0.242 0.000 0.742 327 K HN 0.616 nan 8.250 nan 0.000 0.458 328 D N -1.508 118.725 120.400 -0.277 0.000 2.740 328 D HA 0.115 4.757 4.640 0.002 0.000 0.305 328 D C -0.961 175.258 176.300 -0.134 0.000 1.583 328 D CA -0.477 53.417 54.000 -0.177 0.000 0.790 328 D CB 0.965 41.701 40.800 -0.107 0.000 1.187 328 D HN -0.152 nan 8.370 nan 0.000 0.447 329 T N -0.086 114.368 114.554 -0.168 0.000 3.193 329 T HA 0.486 4.838 4.350 0.002 0.000 0.332 329 T C -1.051 173.497 174.700 -0.252 0.000 1.208 329 T CA -0.457 61.533 62.100 -0.184 0.000 1.080 329 T CB 1.988 70.777 68.868 -0.132 0.000 1.180 329 T HN -0.070 nan 8.240 nan 0.000 0.469 330 T N 2.877 117.158 114.554 -0.456 0.000 2.859 330 T HA 0.692 5.043 4.350 0.002 0.000 0.281 330 T C -0.416 173.952 174.700 -0.553 0.000 1.005 330 T CA -0.639 61.124 62.100 -0.561 0.000 1.025 330 T CB 1.377 69.709 68.868 -0.894 0.000 0.977 330 T HN 0.532 nan 8.240 nan 0.000 0.458 331 T N 3.047 117.416 114.554 -0.309 0.000 2.906 331 T HA 0.456 4.807 4.350 0.002 0.000 0.302 331 T C -0.165 174.470 174.700 -0.107 0.000 1.002 331 T CA -0.485 61.500 62.100 -0.192 0.000 0.988 331 T CB 0.403 69.198 68.868 -0.122 0.000 0.972 331 T HN 0.440 nan 8.240 nan 0.000 0.447 332 I N 4.176 124.715 120.570 -0.053 0.000 2.297 332 I HA 0.385 4.556 4.170 0.002 0.000 0.291 332 I C -0.292 175.823 176.117 -0.003 0.000 1.033 332 I CA -0.499 60.801 61.300 0.001 0.000 1.253 332 I CB 0.635 38.677 38.000 0.070 0.000 1.396 332 I HN 0.501 nan 8.210 nan 0.000 0.476 333 I N 6.120 126.681 120.570 -0.015 0.000 2.339 333 I HA 0.212 4.383 4.170 0.002 0.000 0.290 333 I C -0.104 176.003 176.117 -0.017 0.000 0.994 333 I CA -0.307 60.983 61.300 -0.016 0.000 1.191 333 I CB 1.059 39.046 38.000 -0.021 0.000 1.343 333 I HN 0.565 nan 8.210 nan 0.000 0.458 334 D N 4.901 125.293 120.400 -0.014 0.000 2.956 334 D HA -0.125 4.516 4.640 0.002 0.000 0.240 334 D C 0.286 176.574 176.300 -0.020 0.000 1.141 334 D CA 0.928 54.918 54.000 -0.017 0.000 0.820 334 D CB -0.357 40.431 40.800 -0.020 0.000 0.988 334 D HN 0.791 nan 8.370 nan 0.000 0.417 335 G N 0.100 108.893 108.800 -0.012 0.000 2.527 335 G HA2 0.359 4.321 3.960 0.002 0.000 0.248 335 G HA3 0.359 4.321 3.960 0.002 0.000 0.248 335 G C 1.278 176.167 174.900 -0.018 0.000 1.231 335 G CA -0.298 44.794 45.100 -0.014 0.000 0.838 335 G HN 0.418 nan 8.290 nan 0.000 0.570 336 V N 1.905 121.804 119.914 -0.025 0.000 3.636 336 V HA 0.119 4.241 4.120 0.002 0.000 0.279 336 V C 1.903 177.990 176.094 -0.012 0.000 1.263 336 V CA 0.308 62.593 62.300 -0.024 0.000 1.182 336 V CB -0.923 30.878 31.823 -0.037 0.000 0.955 336 V HN 0.803 nan 8.190 nan 0.000 0.443 337 G N 1.008 109.804 108.800 -0.007 0.000 2.265 337 G HA2 0.076 4.037 3.960 0.002 0.000 0.240 337 G HA3 0.076 4.037 3.960 0.002 0.000 0.240 337 G C 0.081 174.979 174.900 -0.003 0.000 1.270 337 G CA -0.234 44.864 45.100 -0.002 0.000 0.901 337 G HN 0.340 nan 8.290 nan 0.000 0.507 338 E N 1.678 121.877 120.200 -0.002 0.000 2.415 338 E HA -0.039 4.312 4.350 0.002 0.000 0.263 338 E C 1.213 177.812 176.600 -0.003 0.000 0.995 338 E CA -0.263 56.136 56.400 -0.002 0.000 0.915 338 E CB 1.205 30.905 29.700 -0.000 0.000 0.951 338 E HN 0.661 nan 8.360 nan 0.000 0.449 339 E N 3.259 123.458 120.200 -0.003 0.000 2.065 339 E HA -0.264 4.087 4.350 0.002 0.000 0.201 339 E C 1.603 178.201 176.600 -0.003 0.000 1.016 339 E CA 1.842 58.240 56.400 -0.004 0.000 0.818 339 E CB 0.052 29.750 29.700 -0.004 0.000 0.749 339 E HN 0.592 nan 8.360 nan 0.000 0.453 340 A N 0.698 123.516 122.820 -0.003 0.000 1.969 340 A HA -0.015 4.306 4.320 0.002 0.000 0.218 340 A C 2.341 179.923 177.584 -0.003 0.000 1.169 340 A CA 1.901 53.936 52.037 -0.003 0.000 0.635 340 A CB -0.450 18.548 19.000 -0.003 0.000 0.810 340 A HN 0.334 nan 8.150 nan 0.000 0.445 341 A N -0.054 122.764 122.820 -0.003 0.000 1.968 341 A HA 0.009 4.330 4.320 0.002 0.000 0.217 341 A C 2.035 179.616 177.584 -0.004 0.000 1.169 341 A CA 1.339 53.374 52.037 -0.003 0.000 0.638 341 A CB -0.518 18.481 19.000 -0.002 0.000 0.812 341 A HN 0.493 nan 8.150 nan 0.000 0.446 342 I N -0.430 120.138 120.570 -0.004 0.000 2.252 342 I HA -0.242 3.929 4.170 0.002 0.000 0.245 342 I C 2.554 178.668 176.117 -0.006 0.000 1.102 342 I CA 1.017 62.314 61.300 -0.005 0.000 1.385 342 I CB -0.348 37.650 38.000 -0.004 0.000 1.064 342 I HN 0.294 nan 8.210 nan 0.000 0.414 343 Q N 0.794 120.591 119.800 -0.005 0.000 2.124 343 Q HA -0.129 4.212 4.340 0.002 0.000 0.202 343 Q C 2.390 178.386 176.000 -0.007 0.000 0.977 343 Q CA 1.744 57.543 55.803 -0.006 0.000 0.850 343 Q CB -0.799 27.936 28.738 -0.005 0.000 0.901 343 Q HN 0.628 nan 8.270 nan 0.000 0.429 344 G N 1.112 109.908 108.800 -0.006 0.000 2.440 344 G HA2 -0.313 3.648 3.960 0.002 0.000 0.218 344 G HA3 -0.313 3.648 3.960 0.002 0.000 0.218 344 G C 1.646 176.541 174.900 -0.009 0.000 1.154 344 G CA 0.973 46.069 45.100 -0.007 0.000 0.767 344 G HN 0.295 nan 8.290 nan 0.000 0.552 345 R N -0.476 120.019 120.500 -0.009 0.000 2.127 345 R HA 0.125 4.466 4.340 0.002 0.000 0.217 345 R C 2.595 178.887 176.300 -0.013 0.000 1.074 345 R CA 0.633 56.726 56.100 -0.012 0.000 0.991 345 R CB -0.199 30.093 30.300 -0.013 0.000 0.895 345 R HN 0.214 nan 8.270 nan 0.000 0.450 346 V N 0.920 120.827 119.914 -0.011 0.000 2.343 346 V HA -0.221 3.900 4.120 0.002 0.000 0.247 346 V C 2.353 178.440 176.094 -0.012 0.000 1.051 346 V CA 1.963 64.256 62.300 -0.012 0.000 1.036 346 V CB -0.621 31.197 31.823 -0.010 0.000 0.654 346 V HN 0.526 nan 8.190 nan 0.000 0.451 347 A N -1.090 121.724 122.820 -0.010 0.000 1.902 347 A HA -0.277 4.044 4.320 0.002 0.000 0.217 347 A C 2.189 179.767 177.584 -0.011 0.000 1.181 347 A CA 1.877 53.908 52.037 -0.010 0.000 0.623 347 A CB -0.479 18.516 19.000 -0.008 0.000 0.818 347 A HN 0.596 nan 8.150 nan 0.000 0.443 348 Q N -0.581 119.212 119.800 -0.012 0.000 2.061 348 Q HA -0.164 4.177 4.340 0.002 0.000 0.204 348 Q C 2.051 178.042 176.000 -0.015 0.000 0.984 348 Q CA 1.801 57.597 55.803 -0.013 0.000 0.846 348 Q CB -0.337 28.392 28.738 -0.014 0.000 0.902 348 Q HN 0.771 nan 8.270 nan 0.000 0.421 349 I N -0.092 120.468 120.570 -0.017 0.000 2.252 349 I HA -0.265 3.907 4.170 0.002 0.000 0.245 349 I C 2.362 178.467 176.117 -0.019 0.000 1.102 349 I CA 1.052 62.340 61.300 -0.021 0.000 1.385 349 I CB -0.197 37.789 38.000 -0.024 0.000 1.064 349 I HN 0.088 nan 8.210 nan 0.000 0.414 350 R N 0.321 120.811 120.500 -0.016 0.000 2.115 350 R HA -0.219 4.122 4.340 0.002 0.000 0.230 350 R C 2.317 178.609 176.300 -0.012 0.000 1.111 350 R CA 1.319 57.410 56.100 -0.015 0.000 0.976 350 R CB -0.235 30.057 30.300 -0.012 0.000 0.870 350 R HN 0.294 nan 8.270 nan 0.000 0.445 351 Q N 1.024 120.817 119.800 -0.012 0.000 2.096 351 Q HA -0.216 4.126 4.340 0.002 0.000 0.204 351 Q C 1.706 177.700 176.000 -0.010 0.000 0.982 351 Q CA 1.842 57.639 55.803 -0.010 0.000 0.850 351 Q CB -0.000 28.732 28.738 -0.009 0.000 0.901 351 Q HN 0.363 nan 8.270 nan 0.000 0.422 352 Q N -0.415 119.377 119.800 -0.013 0.000 2.224 352 Q HA -0.034 4.308 4.340 0.002 0.000 0.203 352 Q C 2.058 178.050 176.000 -0.013 0.000 0.970 352 Q CA 1.143 56.938 55.803 -0.013 0.000 0.865 352 Q CB -0.039 28.689 28.738 -0.017 0.000 0.922 352 Q HN 0.475 nan 8.270 nan 0.000 0.445 353 I N 0.817 121.379 120.570 -0.015 0.000 2.163 353 I HA -0.257 3.914 4.170 0.002 0.000 0.243 353 I C 1.169 177.281 176.117 -0.009 0.000 1.085 353 I CA 1.321 62.612 61.300 -0.015 0.000 1.347 353 I CB -0.028 37.961 38.000 -0.017 0.000 1.044 353 I HN 0.167 nan 8.210 nan 0.000 0.408 354 E N 0.214 120.410 120.200 -0.008 0.000 2.335 354 E HA -0.006 4.345 4.350 0.002 0.000 0.191 354 E C 0.853 177.451 176.600 -0.003 0.000 1.077 354 E CA 0.008 56.405 56.400 -0.005 0.000 1.010 354 E CB 0.224 29.922 29.700 -0.005 0.000 1.141 354 E HN 0.458 nan 8.360 nan 0.000 0.452 355 E N -0.156 120.042 120.200 -0.003 0.000 2.474 355 E HA 0.173 4.525 4.350 0.002 0.000 0.215 355 E C 0.167 176.768 176.600 0.001 0.000 0.867 355 E CA -0.181 56.218 56.400 -0.002 0.000 1.135 355 E CB 0.821 30.518 29.700 -0.004 0.000 1.147 355 E HN 0.102 nan 8.360 nan 0.000 0.534 356 A N 1.377 124.198 122.820 0.002 0.000 2.409 356 A HA 0.200 4.521 4.320 0.002 0.000 0.262 356 A C 1.090 178.682 177.584 0.012 0.000 1.113 356 A CA -0.022 52.020 52.037 0.009 0.000 0.790 356 A CB 0.196 19.202 19.000 0.009 0.000 1.046 356 A HN 0.189 nan 8.150 nan 0.000 0.496 357 T N -0.291 114.273 114.554 0.017 0.000 3.037 357 T HA 0.167 4.518 4.350 0.002 0.000 0.251 357 T C 0.950 175.665 174.700 0.025 0.000 1.079 357 T CA 0.682 62.792 62.100 0.017 0.000 1.067 357 T CB -0.102 68.773 68.868 0.013 0.000 0.948 357 T HN 0.618 nan 8.240 nan 0.000 0.496 358 S N 0.626 116.350 115.700 0.039 0.000 2.585 358 S HA 0.249 4.720 4.470 0.002 0.000 0.277 358 S C 0.597 175.238 174.600 0.067 0.000 1.241 358 S CA -0.657 57.578 58.200 0.058 0.000 1.041 358 S CB 0.821 64.071 63.200 0.082 0.000 0.987 358 S HN 0.133 nan 8.310 nan 0.000 0.512 359 D N 2.023 122.466 120.400 0.072 0.000 2.178 359 D HA -0.079 4.562 4.640 0.002 0.000 0.202 359 D C 1.281 177.628 176.300 0.078 0.000 0.974 359 D CA 1.162 55.198 54.000 0.060 0.000 0.841 359 D CB -0.236 40.596 40.800 0.053 0.000 0.953 359 D HN 0.767 nan 8.370 nan 0.000 0.478 360 Y N 2.130 122.430 120.300 -0.000 0.000 2.145 360 Y HA -0.209 4.343 4.550 0.003 0.000 0.286 360 Y C 1.730 177.626 175.900 -0.006 0.000 1.145 360 Y CA 1.692 59.793 58.100 0.000 0.000 1.148 360 Y CB 0.006 38.467 38.460 0.003 0.000 0.981 360 Y HN -0.155 nan 8.280 nan 0.000 0.507 361 D N -0.089 120.385 120.400 0.124 0.000 2.144 361 D HA -0.187 4.455 4.640 0.002 0.000 0.199 361 D C 2.198 178.464 176.300 -0.056 0.000 0.984 361 D CA 1.315 55.332 54.000 0.028 0.000 0.834 361 D CB -0.385 40.459 40.800 0.073 0.000 0.955 361 D HN 0.390 nan 8.370 nan 0.000 0.465 362 R N 0.844 121.323 120.500 -0.035 0.000 2.066 362 R HA -0.117 4.224 4.340 0.002 0.000 0.232 362 R C 2.003 178.258 176.300 -0.075 0.000 1.131 362 R CA 1.217 57.292 56.100 -0.042 0.000 0.955 362 R CB 0.086 30.375 30.300 -0.018 0.000 0.851 362 R HN 0.106 nan 8.270 nan 0.000 0.432 363 E N -0.038 120.099 120.200 -0.106 0.000 2.110 363 E HA -0.157 4.195 4.350 0.002 0.000 0.193 363 E C 1.941 178.436 176.600 -0.175 0.000 0.988 363 E CA 0.975 57.298 56.400 -0.128 0.000 0.804 363 E CB 0.173 29.792 29.700 -0.134 0.000 0.745 363 E HN 0.105 nan 8.360 nan 0.000 0.458 364 K N 0.349 120.590 120.400 -0.266 0.000 2.097 364 K HA -0.058 4.263 4.320 0.002 0.000 0.205 364 K C 2.101 178.618 176.600 -0.139 0.000 1.050 364 K CA 0.782 56.917 56.287 -0.254 0.000 0.938 364 K CB -0.123 32.161 32.500 -0.359 0.000 0.718 364 K HN 0.210 nan 8.250 nan 0.000 0.442 365 L N 0.359 121.518 121.223 -0.107 0.000 2.131 365 L HA -0.098 4.243 4.340 0.002 0.000 0.206 365 L C 2.457 179.294 176.870 -0.056 0.000 1.087 365 L CA 0.892 55.691 54.840 -0.069 0.000 0.767 365 L CB -0.228 41.801 42.059 -0.051 0.000 0.917 365 L HN 0.163 nan 8.230 nan 0.000 0.441 366 Q N -0.321 119.445 119.800 -0.057 0.000 2.291 366 Q HA -0.228 4.113 4.340 0.002 0.000 0.205 366 Q C 1.999 177.974 176.000 -0.042 0.000 0.970 366 Q CA 1.016 56.793 55.803 -0.043 0.000 0.876 366 Q CB 0.130 28.844 28.738 -0.039 0.000 0.935 366 Q HN 0.404 nan 8.270 nan 0.000 0.455 367 E N 0.254 120.422 120.200 -0.054 0.000 2.152 367 E HA -0.157 4.194 4.350 0.002 0.000 0.192 367 E C 1.665 178.246 176.600 -0.031 0.000 0.983 367 E CA 0.542 56.916 56.400 -0.044 0.000 0.818 367 E CB 0.269 29.932 29.700 -0.060 0.000 0.758 367 E HN 0.253 nan 8.360 nan 0.000 0.467 368 R N 0.052 120.529 120.500 -0.037 0.000 2.119 368 R HA -0.059 4.282 4.340 0.002 0.000 0.222 368 R C 2.539 178.826 176.300 -0.021 0.000 1.088 368 R CA 1.206 57.288 56.100 -0.029 0.000 0.984 368 R CB -0.146 30.130 30.300 -0.039 0.000 0.884 368 R HN 0.195 nan 8.270 nan 0.000 0.447 369 V N -1.689 118.211 119.914 -0.023 0.000 2.548 369 V HA 0.025 4.146 4.120 0.002 0.000 0.249 369 V C 2.343 178.429 176.094 -0.012 0.000 1.055 369 V CA 1.468 63.758 62.300 -0.017 0.000 1.065 369 V CB -0.808 31.005 31.823 -0.018 0.000 0.681 369 V HN 0.156 nan 8.190 nan 0.000 0.462 370 A N 0.898 123.710 122.820 -0.014 0.000 1.877 370 A HA -0.186 4.135 4.320 0.002 0.000 0.216 370 A C 2.337 179.919 177.584 -0.003 0.000 1.186 370 A CA 2.266 54.297 52.037 -0.010 0.000 0.620 370 A CB -0.560 18.433 19.000 -0.012 0.000 0.822 370 A HN 0.586 nan 8.150 nan 0.000 0.443 371 K N -1.118 119.283 120.400 0.002 0.000 2.026 371 K HA -0.078 4.243 4.320 0.002 0.000 0.208 371 K C 1.902 178.510 176.600 0.013 0.000 1.048 371 K CA 1.366 57.661 56.287 0.014 0.000 0.929 371 K CB -0.303 32.214 32.500 0.028 0.000 0.713 371 K HN 0.334 nan 8.250 nan 0.000 0.439 372 L N 0.374 121.600 121.223 0.005 0.000 2.109 372 L HA -0.009 4.333 4.340 0.002 0.000 0.207 372 L C 1.973 178.843 176.870 0.000 0.000 1.086 372 L CA 1.644 56.486 54.840 0.003 0.000 0.760 372 L CB -0.501 41.555 42.059 -0.004 0.000 0.910 372 L HN 0.126 nan 8.230 nan 0.000 0.437 373 A N -1.624 121.194 122.820 -0.003 0.000 2.095 373 A HA 0.251 4.572 4.320 0.002 0.000 0.212 373 A C 2.188 179.770 177.584 -0.004 0.000 1.162 373 A CA 0.690 52.725 52.037 -0.004 0.000 0.753 373 A CB -0.841 18.155 19.000 -0.007 0.000 0.840 373 A HN 0.426 nan 8.150 nan 0.000 0.468 374 G N -0.532 108.267 108.800 -0.003 0.000 2.421 374 G HA2 0.360 4.321 3.960 0.002 0.000 0.217 374 G HA3 0.360 4.321 3.960 0.002 0.000 0.217 374 G C 1.170 176.068 174.900 -0.004 0.000 1.143 374 G CA 0.722 45.819 45.100 -0.004 0.000 0.784 374 G HN 1.589 nan 8.290 nan 0.000 0.541 375 G N -1.524 107.276 108.800 -0.001 0.000 2.645 375 G HA2 -0.046 3.915 3.960 0.002 0.000 0.239 375 G HA3 -0.046 3.915 3.960 0.002 0.000 0.239 375 G C -0.594 174.303 174.900 -0.005 0.000 1.331 375 G CA -0.156 44.943 45.100 -0.002 0.000 0.890 375 G HN 1.022 nan 8.290 nan 0.000 0.572 376 V N 0.398 120.307 119.914 -0.008 0.000 2.638 376 V HA 0.725 4.846 4.120 0.002 0.000 0.306 376 V C 0.711 176.796 176.094 -0.014 0.000 1.052 376 V CA -0.043 62.249 62.300 -0.013 0.000 0.885 376 V CB 1.498 33.313 31.823 -0.014 0.000 0.999 376 V HN 2.082 nan 8.190 nan 0.000 0.424 377 A N 4.470 127.280 122.820 -0.017 0.000 2.362 377 A HA 0.707 5.028 4.320 0.002 0.000 0.276 377 A C -0.477 177.098 177.584 -0.017 0.000 1.153 377 A CA -0.273 51.754 52.037 -0.016 0.000 0.813 377 A CB 0.618 19.608 19.000 -0.017 0.000 1.081 377 A HN 0.758 nan 8.150 nan 0.000 0.507 378 V N 5.122 125.028 119.914 -0.014 0.000 2.334 378 V HA 0.264 4.386 4.120 0.002 0.000 0.281 378 V C -0.119 175.968 176.094 -0.010 0.000 1.016 378 V CA -0.142 62.151 62.300 -0.013 0.000 0.832 378 V CB 0.909 32.725 31.823 -0.012 0.000 0.999 378 V HN 0.733 nan 8.190 nan 0.000 0.439 379 I N 5.181 125.746 120.570 -0.009 0.000 2.325 379 I HA 0.362 4.533 4.170 0.002 0.000 0.291 379 I C 0.338 176.452 176.117 -0.005 0.000 1.019 379 I CA -0.256 61.039 61.300 -0.007 0.000 1.302 379 I CB 0.775 38.772 38.000 -0.006 0.000 1.401 379 I HN 0.451 nan 8.210 nan 0.000 0.485 380 K N 6.195 126.592 120.400 -0.005 0.000 2.316 380 K HA 0.448 4.770 4.320 0.002 0.000 0.267 380 K C -0.920 175.678 176.600 -0.003 0.000 1.025 380 K CA -0.641 55.643 56.287 -0.004 0.000 0.896 380 K CB 2.147 34.644 32.500 -0.005 0.000 1.124 380 K HN 0.335 nan 8.250 nan 0.000 0.451 381 V N 2.611 122.524 119.914 -0.002 0.000 2.461 381 V HA 0.263 4.384 4.120 0.002 0.000 0.275 381 V C 0.822 176.915 176.094 -0.002 0.000 1.047 381 V CA -0.518 61.781 62.300 -0.002 0.000 0.955 381 V CB 1.157 32.980 31.823 -0.000 0.000 0.988 381 V HN 0.882 nan 8.190 nan 0.000 0.471 382 G N 2.924 111.722 108.800 -0.003 0.000 2.461 382 G HA2 0.866 4.827 3.960 0.002 0.000 0.329 382 G HA3 0.866 4.827 3.960 0.002 0.000 0.329 382 G C -0.583 174.315 174.900 -0.003 0.000 1.170 382 G CA 0.023 45.121 45.100 -0.003 0.000 0.935 382 G HN 1.267 nan 8.290 nan 0.000 0.492 383 A N -1.122 121.696 122.820 -0.003 0.000 2.515 383 A HA 0.750 5.072 4.320 0.002 0.000 0.292 383 A C 0.706 178.288 177.584 -0.003 0.000 1.065 383 A CA 0.462 52.497 52.037 -0.003 0.000 0.641 383 A CB 0.296 19.294 19.000 -0.004 0.000 1.306 383 A HN 1.879 nan 8.150 nan 0.000 0.441 384 A N -0.321 122.497 122.820 -0.004 0.000 1.897 384 A HA 0.408 4.729 4.320 0.002 0.000 0.215 384 A C 1.386 178.968 177.584 -0.003 0.000 1.181 384 A CA 2.474 54.509 52.037 -0.003 0.000 0.620 384 A CB -0.714 18.284 19.000 -0.004 0.000 0.821 384 A HN 2.188 nan 8.150 nan 0.000 0.443 385 T N -4.528 110.023 114.554 -0.004 0.000 2.940 385 T HA 0.479 4.830 4.350 0.002 0.000 0.288 385 T C 0.586 175.283 174.700 -0.003 0.000 1.045 385 T CA -0.004 62.094 62.100 -0.004 0.000 1.018 385 T CB 1.854 70.720 68.868 -0.004 0.000 1.151 385 T HN 0.246 nan 8.240 nan 0.000 0.529 386 E N -0.275 119.923 120.200 -0.003 0.000 2.072 386 E HA -0.128 4.223 4.350 0.002 0.000 0.191 386 E C 2.178 178.775 176.600 -0.004 0.000 0.985 386 E CA 1.506 57.904 56.400 -0.003 0.000 0.801 386 E CB -0.198 29.500 29.700 -0.002 0.000 0.750 386 E HN 0.612 nan 8.360 nan 0.000 0.452 387 V N -0.922 118.989 119.914 -0.005 0.000 2.407 387 V HA -0.229 3.892 4.120 0.002 0.000 0.248 387 V C 1.766 177.857 176.094 -0.006 0.000 1.055 387 V CA 1.968 64.265 62.300 -0.006 0.000 1.049 387 V CB -0.736 31.083 31.823 -0.007 0.000 0.662 387 V HN 0.148 nan 8.190 nan 0.000 0.455 388 E N -0.009 120.188 120.200 -0.005 0.000 2.072 388 E HA -0.161 4.191 4.350 0.002 0.000 0.191 388 E C 2.219 178.816 176.600 -0.005 0.000 0.985 388 E CA 1.605 58.002 56.400 -0.005 0.000 0.801 388 E CB -0.313 29.384 29.700 -0.005 0.000 0.750 388 E HN 0.515 nan 8.360 nan 0.000 0.452 389 M N 1.056 120.653 119.600 -0.004 0.000 2.117 389 M HA -0.173 4.308 4.480 0.002 0.000 0.262 389 M C 1.613 177.912 176.300 -0.003 0.000 1.065 389 M CA 1.551 56.849 55.300 -0.003 0.000 1.114 389 M CB -0.106 32.492 32.600 -0.003 0.000 1.361 389 M HN -0.075 nan 8.290 nan 0.000 0.408 390 K N -0.059 120.339 120.400 -0.003 0.000 2.057 390 K HA -0.135 4.187 4.320 0.002 0.000 0.206 390 K C 1.914 178.512 176.600 -0.004 0.000 1.050 390 K CA 0.967 57.252 56.287 -0.003 0.000 0.935 390 K CB -0.649 31.849 32.500 -0.004 0.000 0.715 390 K HN 0.409 nan 8.250 nan 0.000 0.439 391 E N 1.631 121.828 120.200 -0.006 0.000 2.110 391 E HA -0.174 4.178 4.350 0.002 0.000 0.193 391 E C 1.979 178.576 176.600 -0.005 0.000 0.988 391 E CA 1.177 57.573 56.400 -0.007 0.000 0.804 391 E CB 0.144 29.839 29.700 -0.008 0.000 0.745 391 E HN 0.210 nan 8.360 nan 0.000 0.458 392 K N 0.806 121.203 120.400 -0.004 0.000 2.031 392 K HA -0.151 4.170 4.320 0.002 0.000 0.205 392 K C 2.300 178.900 176.600 0.000 0.000 1.049 392 K CA 1.362 57.647 56.287 -0.002 0.000 0.939 392 K CB -0.075 32.423 32.500 -0.003 0.000 0.717 392 K HN -0.100 nan 8.250 nan 0.000 0.438 393 K N 0.359 120.760 120.400 0.001 0.000 2.074 393 K HA -0.189 4.132 4.320 0.002 0.000 0.209 393 K C 1.905 178.510 176.600 0.007 0.000 1.048 393 K CA 1.529 57.819 56.287 0.004 0.000 0.926 393 K CB -0.225 32.277 32.500 0.004 0.000 0.713 393 K HN 0.213 nan 8.250 nan 0.000 0.444 394 A N 1.311 124.132 122.820 0.002 0.000 1.877 394 A HA -0.156 4.165 4.320 0.002 0.000 0.216 394 A C 2.117 179.702 177.584 0.001 0.000 1.186 394 A CA 1.561 53.597 52.037 -0.000 0.000 0.620 394 A CB -0.515 18.480 19.000 -0.007 0.000 0.822 394 A HN 0.354 nan 8.150 nan 0.000 0.443 395 R N -0.742 119.758 120.500 0.000 0.000 2.120 395 R HA -0.076 4.266 4.340 0.002 0.000 0.234 395 R C 2.037 178.343 176.300 0.010 0.000 1.123 395 R CA 1.386 57.487 56.100 0.002 0.000 0.975 395 R CB -0.458 29.841 30.300 -0.002 0.000 0.866 395 R HN 0.429 nan 8.270 nan 0.000 0.446 396 V N 1.068 120.990 119.914 0.013 0.000 2.270 396 V HA -0.215 3.906 4.120 0.002 0.000 0.245 396 V C 1.976 178.093 176.094 0.039 0.000 1.043 396 V CA 1.746 64.057 62.300 0.019 0.000 1.014 396 V CB -0.433 31.398 31.823 0.013 0.000 0.645 396 V HN 0.334 nan 8.190 nan 0.000 0.447 397 E N -0.234 119.995 120.200 0.048 0.000 2.114 397 E HA -0.297 4.054 4.350 0.002 0.000 0.199 397 E C 1.990 178.681 176.600 0.151 0.000 1.008 397 E CA 1.655 58.114 56.400 0.098 0.000 0.810 397 E CB -0.183 29.561 29.700 0.074 0.000 0.739 397 E HN 0.548 nan 8.360 nan 0.000 0.456 398 D N -0.130 120.310 120.400 0.067 0.000 2.091 398 D HA -0.038 4.603 4.640 0.002 0.000 0.199 398 D C 1.864 178.207 176.300 0.071 0.000 0.980 398 D CA 1.230 55.255 54.000 0.042 0.000 0.831 398 D CB -0.088 40.711 40.800 -0.000 0.000 0.987 398 D HN 0.119 nan 8.370 nan 0.000 0.460 399 A N 0.973 123.822 122.820 0.047 0.000 2.121 399 A HA -0.080 4.241 4.320 0.002 0.000 0.218 399 A C 2.127 179.737 177.584 0.043 0.000 1.154 399 A CA 0.547 52.606 52.037 0.037 0.000 0.679 399 A CB -0.416 18.595 19.000 0.019 0.000 0.795 399 A HN 0.302 nan 8.150 nan 0.000 0.458 400 L N -0.849 120.409 121.223 0.059 0.000 2.023 400 L HA -0.105 4.236 4.340 0.002 0.000 0.205 400 L C 2.272 179.154 176.870 0.020 0.000 1.073 400 L CA 1.967 56.824 54.840 0.027 0.000 0.745 400 L CB -1.271 40.797 42.059 0.015 0.000 0.900 400 L HN 0.520 nan 8.230 nan 0.000 0.435 401 H N -0.333 118.732 119.070 -0.008 0.000 2.390 401 H HA -0.149 4.409 4.556 0.002 0.000 0.298 401 H C 2.021 177.347 175.328 -0.004 0.000 1.106 401 H CA 1.563 57.607 56.048 -0.007 0.000 1.297 401 H CB 0.242 29.999 29.762 -0.007 0.000 1.375 401 H HN 0.456 nan 8.280 nan 0.000 0.509 402 A N 0.265 123.156 122.820 0.120 0.000 1.929 402 A HA -0.110 4.212 4.320 0.002 0.000 0.216 402 A C 2.566 180.171 177.584 0.035 0.000 1.176 402 A CA 1.717 53.792 52.037 0.064 0.000 0.628 402 A CB -0.596 18.431 19.000 0.045 0.000 0.816 402 A HN 0.339 nan 8.150 nan 0.000 0.444 403 T N -0.273 114.295 114.554 0.023 0.000 2.857 403 T HA -0.081 4.271 4.350 0.002 0.000 0.266 403 T C 2.016 176.715 174.700 -0.001 0.000 1.048 403 T CA 1.127 63.231 62.100 0.007 0.000 1.139 403 T CB -0.213 68.656 68.868 0.002 0.000 0.874 403 T HN 0.452 nan 8.240 nan 0.000 0.455 404 R N 1.258 121.750 120.500 -0.012 0.000 2.105 404 R HA 0.002 4.344 4.340 0.002 0.000 0.239 404 R C 2.716 179.013 176.300 -0.005 0.000 1.135 404 R CA 1.403 57.490 56.100 -0.022 0.000 0.967 404 R CB -0.512 29.756 30.300 -0.053 0.000 0.861 404 R HN 0.379 nan 8.270 nan 0.000 0.442 405 A N 0.854 123.680 122.820 0.009 0.000 2.066 405 A HA 0.049 4.370 4.320 0.002 0.000 0.218 405 A C 2.229 179.822 177.584 0.016 0.000 1.157 405 A CA 1.329 53.378 52.037 0.019 0.000 0.670 405 A CB -0.201 18.820 19.000 0.035 0.000 0.804 405 A HN 0.371 nan 8.150 nan 0.000 0.453 406 A N -0.749 122.078 122.820 0.012 0.000 1.935 406 A HA 0.166 4.487 4.320 0.002 0.000 0.214 406 A C 2.093 179.681 177.584 0.006 0.000 1.178 406 A CA 1.281 53.324 52.037 0.010 0.000 0.640 406 A CB -0.588 18.417 19.000 0.008 0.000 0.825 406 A HN 0.284 nan 8.150 nan 0.000 0.447 407 V N 0.249 120.164 119.914 0.002 0.000 2.427 407 V HA -0.240 3.881 4.120 0.002 0.000 0.248 407 V C 2.383 178.478 176.094 0.001 0.000 1.051 407 V CA 2.278 64.578 62.300 -0.000 0.000 1.048 407 V CB -0.673 31.147 31.823 -0.005 0.000 0.666 407 V HN 0.622 nan 8.190 nan 0.000 0.456 408 E N -0.302 119.899 120.200 0.002 0.000 2.028 408 E HA -0.135 4.216 4.350 0.002 0.000 0.190 408 E C 1.864 178.468 176.600 0.006 0.000 0.984 408 E CA 1.315 57.717 56.400 0.004 0.000 0.800 408 E CB 0.043 29.746 29.700 0.005 0.000 0.758 408 E HN 0.636 nan 8.360 nan 0.000 0.448 409 E N -0.894 119.311 120.200 0.009 0.000 2.572 409 E HA 0.218 4.569 4.350 0.002 0.000 0.220 409 E C 0.351 176.958 176.600 0.010 0.000 0.945 409 E CA 0.185 56.591 56.400 0.010 0.000 1.070 409 E CB 1.746 31.454 29.700 0.013 0.000 1.090 409 E HN 0.229 nan 8.360 nan 0.000 0.506 410 G N 1.359 110.165 108.800 0.010 0.000 2.582 410 G HA2 -0.197 3.764 3.960 0.002 0.000 0.222 410 G HA3 -0.197 3.764 3.960 0.002 0.000 0.222 410 G C -0.454 174.452 174.900 0.011 0.000 1.311 410 G CA -0.489 44.617 45.100 0.010 0.000 0.915 410 G HN 0.425 nan 8.290 nan 0.000 0.528 411 V N -2.365 117.556 119.914 0.011 0.000 2.823 411 V HA 0.967 5.088 4.120 0.002 0.000 0.312 411 V C 0.607 176.709 176.094 0.014 0.000 1.072 411 V CA -0.007 62.300 62.300 0.012 0.000 0.937 411 V CB 1.200 33.028 31.823 0.008 0.000 1.013 411 V HN 2.315 nan 8.190 nan 0.000 0.430 412 V N -0.051 119.872 119.914 0.015 0.000 3.141 412 V HA 1.004 5.125 4.120 0.002 0.000 0.312 412 V C 0.549 176.653 176.094 0.018 0.000 1.157 412 V CA -0.742 61.569 62.300 0.019 0.000 1.041 412 V CB 1.311 33.147 31.823 0.022 0.000 1.071 412 V HN 1.842 nan 8.190 nan 0.000 0.441 413 A N 0.839 123.672 122.820 0.023 0.000 2.520 413 A HA 0.628 4.950 4.320 0.002 0.000 0.245 413 A C 0.886 178.480 177.584 0.017 0.000 1.072 413 A CA 0.641 52.689 52.037 0.019 0.000 0.761 413 A CB -0.509 18.511 19.000 0.034 0.000 1.004 413 A HN 1.832 nan 8.150 nan 0.000 0.499 414 G N 0.916 109.719 108.800 0.004 0.000 2.504 414 G HA2 0.495 4.456 3.960 0.002 0.000 0.257 414 G HA3 0.495 4.456 3.960 0.002 0.000 0.257 414 G C 1.190 176.094 174.900 0.008 0.000 1.451 414 G CA -0.017 45.085 45.100 0.004 0.000 1.059 414 G HN 2.225 nan 8.290 nan 0.000 0.550 415 G N -2.019 106.783 108.800 0.003 0.000 2.233 415 G HA2 0.197 4.159 3.960 0.002 0.000 0.270 415 G HA3 0.197 4.159 3.960 0.002 0.000 0.270 415 G C 1.515 176.439 174.900 0.040 0.000 1.011 415 G CA 1.357 46.464 45.100 0.011 0.000 0.762 415 G HN 2.471 nan 8.290 nan 0.000 0.511 416 G N -2.604 106.218 108.800 0.037 0.000 2.179 416 G HA2 -0.102 3.860 3.960 0.002 0.000 0.260 416 G HA3 -0.102 3.860 3.960 0.002 0.000 0.260 416 G C 1.806 176.738 174.900 0.054 0.000 0.977 416 G CA 1.774 46.901 45.100 0.045 0.000 0.641 416 G HN 2.192 nan 8.290 nan 0.000 0.533 417 V N -1.387 118.564 119.914 0.061 0.000 2.719 417 V HA 0.456 4.578 4.120 0.002 0.000 0.252 417 V C 2.729 178.862 176.094 0.064 0.000 1.065 417 V CA 1.947 64.293 62.300 0.076 0.000 1.086 417 V CB -0.482 31.401 31.823 0.100 0.000 0.700 417 V HN 1.416 nan 8.190 nan 0.000 0.467 418 A N 0.909 123.759 122.820 0.050 0.000 1.883 418 A HA -0.102 4.220 4.320 0.002 0.000 0.217 418 A C 2.223 179.830 177.584 0.039 0.000 1.186 418 A CA 2.323 54.386 52.037 0.043 0.000 0.624 418 A CB -0.789 18.232 19.000 0.034 0.000 0.822 418 A HN 0.593 nan 8.150 nan 0.000 0.444 419 L N -1.009 120.236 121.223 0.037 0.000 2.083 419 L HA -0.125 4.216 4.340 0.002 0.000 0.209 419 L C 2.471 179.362 176.870 0.034 0.000 1.083 419 L CA 1.377 56.236 54.840 0.032 0.000 0.752 419 L CB -0.265 41.813 42.059 0.031 0.000 0.899 419 L HN 0.472 nan 8.230 nan 0.000 0.433 420 I N -0.736 119.859 120.570 0.041 0.000 2.876 420 I HA -0.200 3.971 4.170 0.002 0.000 0.264 420 I C 2.620 178.763 176.117 0.043 0.000 1.204 420 I CA 0.418 61.743 61.300 0.041 0.000 1.485 420 I CB 0.098 38.128 38.000 0.049 0.000 1.103 420 I HN 0.180 nan 8.210 nan 0.000 0.446 421 R N 0.238 120.767 120.500 0.049 0.000 2.075 421 R HA -0.052 4.290 4.340 0.002 0.000 0.226 421 R C 1.905 178.225 176.300 0.034 0.000 1.114 421 R CA 1.629 57.758 56.100 0.047 0.000 0.972 421 R CB -0.719 29.616 30.300 0.059 0.000 0.869 421 R HN 0.174 nan 8.270 nan 0.000 0.437 422 V N 0.831 120.764 119.914 0.031 0.000 2.548 422 V HA -0.075 4.047 4.120 0.002 0.000 0.249 422 V C 2.216 178.322 176.094 0.019 0.000 1.055 422 V CA 1.673 63.986 62.300 0.023 0.000 1.065 422 V CB -0.440 31.395 31.823 0.021 0.000 0.681 422 V HN 0.535 nan 8.190 nan 0.000 0.462 423 A N 0.617 123.450 122.820 0.020 0.000 1.898 423 A HA -0.194 4.128 4.320 0.002 0.000 0.216 423 A C 2.519 180.112 177.584 0.014 0.000 1.181 423 A CA 2.126 54.173 52.037 0.017 0.000 0.620 423 A CB -0.752 18.259 19.000 0.018 0.000 0.819 423 A HN 0.679 nan 8.150 nan 0.000 0.442 424 S N -0.216 115.494 115.700 0.017 0.000 2.447 424 S HA -0.100 4.371 4.470 0.002 0.000 0.233 424 S C 1.525 176.130 174.600 0.009 0.000 1.006 424 S CA 1.412 59.620 58.200 0.013 0.000 0.957 424 S CB -0.309 62.900 63.200 0.015 0.000 0.773 424 S HN 0.590 nan 8.310 nan 0.000 0.507 425 K N 0.482 120.888 120.400 0.011 0.000 2.487 425 K HA 0.317 4.639 4.320 0.002 0.000 0.192 425 K C 0.592 177.196 176.600 0.006 0.000 1.027 425 K CA 0.250 56.541 56.287 0.008 0.000 1.054 425 K CB -0.048 32.458 32.500 0.010 0.000 0.824 425 K HN 0.402 nan 8.250 nan 0.000 0.510 426 L N -0.196 121.031 121.223 0.006 0.000 3.066 426 L HA 0.251 4.592 4.340 0.002 0.000 0.265 426 L C 1.502 178.375 176.870 0.004 0.000 1.232 426 L CA -0.224 54.619 54.840 0.005 0.000 1.031 426 L CB 0.441 42.504 42.059 0.006 0.000 1.379 426 L HN 0.057 nan 8.230 nan 0.000 0.563 427 A N -0.152 122.670 122.820 0.003 0.000 1.978 427 A HA -0.201 4.120 4.320 0.002 0.000 0.220 427 A C 1.555 179.140 177.584 0.001 0.000 1.170 427 A CA 1.762 53.800 52.037 0.002 0.000 0.636 427 A CB -0.190 18.810 19.000 0.000 0.000 0.810 427 A HN 0.336 nan 8.150 nan 0.000 0.448 428 D N -1.209 119.192 120.400 0.001 0.000 2.340 428 D HA 0.151 4.792 4.640 0.002 0.000 0.220 428 D C 0.097 176.398 176.300 0.001 0.000 1.039 428 D CA -0.081 53.919 54.000 0.000 0.000 0.866 428 D CB -0.131 40.669 40.800 -0.000 0.000 0.913 428 D HN 0.318 nan 8.370 nan 0.000 0.523 429 L N 1.743 122.967 121.223 0.001 0.000 2.418 429 L HA 0.139 4.480 4.340 0.002 0.000 0.274 429 L C 0.225 177.096 176.870 0.001 0.000 1.135 429 L CA 0.385 55.226 54.840 0.001 0.000 0.870 429 L CB 0.150 42.210 42.059 0.002 0.000 1.154 429 L HN -0.245 nan 8.230 nan 0.000 0.462 430 R N 2.973 123.473 120.500 0.001 0.000 2.902 430 R HA 0.761 5.103 4.340 0.002 0.000 0.258 430 R C -0.016 176.284 176.300 0.001 0.000 1.071 430 R CA -0.355 55.746 56.100 0.001 0.000 1.024 430 R CB 1.376 31.676 30.300 0.001 0.000 1.184 430 R HN 0.780 nan 8.270 nan 0.000 0.492 431 G N -0.465 108.336 108.800 0.001 0.000 3.212 431 G HA2 0.150 4.112 3.960 0.002 0.000 0.188 431 G HA3 0.150 4.112 3.960 0.002 0.000 0.188 431 G C 0.019 174.919 174.900 0.001 0.000 1.254 431 G CA -0.126 44.975 45.100 0.001 0.000 0.957 431 G HN 0.270 nan 8.290 nan 0.000 0.596 432 Q N -0.330 119.471 119.800 0.001 0.000 2.331 432 Q HA 0.095 4.436 4.340 0.002 0.000 0.203 432 Q C 0.168 176.169 176.000 0.001 0.000 0.944 432 Q CA 0.813 56.617 55.803 0.001 0.000 0.892 432 Q CB 0.086 28.824 28.738 0.002 0.000 0.983 432 Q HN 0.706 nan 8.270 nan 0.000 0.482 433 N N -2.268 116.433 118.700 0.002 0.000 2.934 433 N HA 0.115 4.857 4.740 0.002 0.000 0.253 433 N C 0.067 175.578 175.510 0.002 0.000 1.466 433 N CA -0.522 52.529 53.050 0.002 0.000 0.858 433 N CB 0.518 39.007 38.487 0.002 0.000 1.459 433 N HN -0.411 nan 8.380 nan 0.000 0.532 434 E N -0.073 120.128 120.200 0.002 0.000 2.160 434 E HA -0.158 4.194 4.350 0.002 0.000 0.195 434 E C 0.244 176.845 176.600 0.003 0.000 0.991 434 E CA 1.333 57.734 56.400 0.002 0.000 0.810 434 E CB -0.297 29.404 29.700 0.002 0.000 0.742 434 E HN 0.596 nan 8.360 nan 0.000 0.466 435 D N 0.805 121.207 120.400 0.003 0.000 2.097 435 D HA -0.121 4.521 4.640 0.002 0.000 0.197 435 D C 2.025 178.327 176.300 0.004 0.000 0.984 435 D CA 0.878 54.880 54.000 0.004 0.000 0.826 435 D CB -0.239 40.564 40.800 0.004 0.000 0.973 435 D HN 0.240 nan 8.370 nan 0.000 0.460 436 Q N 0.129 119.931 119.800 0.004 0.000 2.135 436 Q HA -0.136 4.206 4.340 0.002 0.000 0.204 436 Q C 1.790 177.792 176.000 0.003 0.000 0.981 436 Q CA 0.822 56.627 55.803 0.003 0.000 0.856 436 Q CB -0.078 28.662 28.738 0.003 0.000 0.902 436 Q HN 0.263 nan 8.270 nan 0.000 0.425 437 N N 0.157 118.858 118.700 0.003 0.000 2.043 437 N HA -0.138 4.603 4.740 0.002 0.000 0.193 437 N C 1.909 177.421 175.510 0.003 0.000 1.037 437 N CA 1.116 54.168 53.050 0.003 0.000 0.851 437 N CB -0.564 37.924 38.487 0.002 0.000 1.027 437 N HN 0.034 nan 8.380 nan 0.000 0.422 438 V N 1.043 120.959 119.914 0.004 0.000 2.287 438 V HA -0.215 3.906 4.120 0.002 0.000 0.248 438 V C 2.469 178.566 176.094 0.005 0.000 1.053 438 V CA 2.130 64.432 62.300 0.004 0.000 1.027 438 V CB -1.411 30.415 31.823 0.004 0.000 0.646 438 V HN 0.387 nan 8.190 nan 0.000 0.447 439 G N -0.134 108.669 108.800 0.005 0.000 2.505 439 G HA2 -0.295 3.666 3.960 0.002 0.000 0.220 439 G HA3 -0.295 3.666 3.960 0.002 0.000 0.220 439 G C 1.539 176.442 174.900 0.005 0.000 1.145 439 G CA 1.489 46.592 45.100 0.006 0.000 0.761 439 G HN 0.506 nan 8.290 nan 0.000 0.571 440 I N 0.205 120.778 120.570 0.004 0.000 2.113 440 I HA -0.141 4.031 4.170 0.002 0.000 0.238 440 I C 2.799 178.919 176.117 0.005 0.000 1.070 440 I CA 1.208 62.510 61.300 0.004 0.000 1.332 440 I CB -0.192 37.810 38.000 0.003 0.000 1.044 440 I HN -0.005 nan 8.210 nan 0.000 0.402 441 K N 0.614 121.017 120.400 0.005 0.000 2.113 441 K HA -0.156 4.165 4.320 0.002 0.000 0.208 441 K C 2.122 178.726 176.600 0.007 0.000 1.047 441 K CA 1.182 57.472 56.287 0.005 0.000 0.928 441 K CB -0.770 31.733 32.500 0.004 0.000 0.716 441 K HN 0.227 nan 8.250 nan 0.000 0.446 442 V N 1.447 121.365 119.914 0.007 0.000 2.287 442 V HA -0.259 3.862 4.120 0.002 0.000 0.248 442 V C 2.475 178.575 176.094 0.010 0.000 1.053 442 V CA 2.070 64.375 62.300 0.008 0.000 1.027 442 V CB -0.729 31.099 31.823 0.008 0.000 0.646 442 V HN 0.336 nan 8.190 nan 0.000 0.447 443 A N -0.685 122.141 122.820 0.009 0.000 1.969 443 A HA -0.083 4.239 4.320 0.002 0.000 0.218 443 A C 2.170 179.761 177.584 0.011 0.000 1.169 443 A CA 1.462 53.505 52.037 0.010 0.000 0.635 443 A CB -0.413 18.592 19.000 0.008 0.000 0.810 443 A HN 0.519 nan 8.150 nan 0.000 0.445 444 L N -1.387 119.842 121.223 0.010 0.000 2.109 444 L HA -0.089 4.253 4.340 0.002 0.000 0.207 444 L C 2.797 179.674 176.870 0.012 0.000 1.086 444 L CA 0.933 55.779 54.840 0.010 0.000 0.760 444 L CB -0.456 41.608 42.059 0.009 0.000 0.910 444 L HN 0.333 nan 8.230 nan 0.000 0.437 445 R N 0.132 120.639 120.500 0.011 0.000 2.096 445 R HA -0.119 4.222 4.340 0.002 0.000 0.235 445 R C 2.398 178.706 176.300 0.013 0.000 1.127 445 R CA 1.305 57.412 56.100 0.011 0.000 0.968 445 R CB -0.368 29.938 30.300 0.009 0.000 0.861 445 R HN 0.333 nan 8.270 nan 0.000 0.440 446 A N 0.835 123.663 122.820 0.014 0.000 1.972 446 A HA -0.133 4.188 4.320 0.002 0.000 0.219 446 A C 2.023 179.618 177.584 0.019 0.000 1.169 446 A CA 1.171 53.218 52.037 0.016 0.000 0.635 446 A CB -0.351 18.660 19.000 0.017 0.000 0.810 446 A HN 0.214 nan 8.150 nan 0.000 0.446 447 M N -0.417 119.195 119.600 0.019 0.000 2.549 447 M HA -0.081 4.400 4.480 0.002 0.000 0.260 447 M C 1.280 177.595 176.300 0.025 0.000 1.076 447 M CA 0.891 56.204 55.300 0.022 0.000 1.090 447 M CB -0.243 32.369 32.600 0.021 0.000 1.418 447 M HN 0.449 nan 8.290 nan 0.000 0.486 448 E N 0.447 120.661 120.200 0.023 0.000 2.442 448 E HA 0.030 4.381 4.350 0.002 0.000 0.195 448 E C 2.088 178.702 176.600 0.023 0.000 1.030 448 E CA 0.505 56.919 56.400 0.024 0.000 0.869 448 E CB 0.078 29.789 29.700 0.019 0.000 0.857 448 E HN 0.498 nan 8.360 nan 0.000 0.505 449 A N 2.621 125.454 122.820 0.022 0.000 1.858 449 A HA -0.116 4.205 4.320 0.002 0.000 0.216 449 A C -0.245 177.353 177.584 0.023 0.000 1.190 449 A CA 1.196 53.245 52.037 0.020 0.000 0.617 449 A CB -1.429 17.583 19.000 0.019 0.000 0.827 449 A HN 0.120 nan 8.150 nan 0.000 0.443 450 P HA -0.128 nan 4.420 nan 0.000 0.216 450 P C 1.704 179.024 177.300 0.034 0.000 1.153 450 P CA 0.940 64.057 63.100 0.028 0.000 0.848 450 P CB -0.089 31.629 31.700 0.029 0.000 0.787 451 L N -0.171 121.076 121.223 0.039 0.000 1.994 451 L HA -0.122 4.219 4.340 0.002 0.000 0.208 451 L C 2.397 179.292 176.870 0.041 0.000 1.071 451 L CA 1.898 56.769 54.840 0.051 0.000 0.745 451 L CB -0.880 41.214 42.059 0.058 0.000 0.892 451 L HN -0.265 nan 8.230 nan 0.000 0.431 452 R N -0.856 119.660 120.500 0.027 0.000 2.103 452 R HA -0.260 4.082 4.340 0.002 0.000 0.242 452 R C 2.377 178.689 176.300 0.019 0.000 1.142 452 R CA 1.838 57.947 56.100 0.015 0.000 0.960 452 R CB -0.525 29.782 30.300 0.012 0.000 0.858 452 R HN 0.450 nan 8.270 nan 0.000 0.439 453 Q N 0.977 120.791 119.800 0.022 0.000 2.050 453 Q HA -0.109 4.233 4.340 0.002 0.000 0.202 453 Q C 1.868 177.885 176.000 0.029 0.000 0.980 453 Q CA 1.639 57.456 55.803 0.022 0.000 0.840 453 Q CB -0.212 28.538 28.738 0.020 0.000 0.898 453 Q HN 0.368 nan 8.270 nan 0.000 0.424 454 I N -0.656 119.936 120.570 0.038 0.000 2.163 454 I HA -0.290 3.881 4.170 0.002 0.000 0.243 454 I C 2.037 178.196 176.117 0.069 0.000 1.085 454 I CA 1.084 62.414 61.300 0.050 0.000 1.347 454 I CB -0.296 37.740 38.000 0.059 0.000 1.044 454 I HN 0.079 nan 8.210 nan 0.000 0.408 455 V N 0.503 120.461 119.914 0.072 0.000 2.343 455 V HA -0.274 3.847 4.120 0.002 0.000 0.247 455 V C 2.358 178.477 176.094 0.041 0.000 1.051 455 V CA 1.566 63.906 62.300 0.066 0.000 1.036 455 V CB -0.565 31.251 31.823 -0.011 0.000 0.654 455 V HN 0.351 nan 8.190 nan 0.000 0.451 456 L N 0.943 122.182 121.223 0.026 0.000 2.046 456 L HA -0.147 4.195 4.340 0.002 0.000 0.208 456 L C 2.225 179.109 176.870 0.023 0.000 1.077 456 L CA 1.965 56.816 54.840 0.019 0.000 0.747 456 L CB -0.890 41.178 42.059 0.014 0.000 0.896 456 L HN 0.323 nan 8.230 nan 0.000 0.432 457 N N -0.886 117.829 118.700 0.026 0.000 2.149 457 N HA -0.197 4.545 4.740 0.002 0.000 0.188 457 N C 1.773 177.299 175.510 0.028 0.000 1.019 457 N CA 1.838 54.902 53.050 0.023 0.000 0.857 457 N CB -1.037 37.462 38.487 0.020 0.000 0.997 457 N HN 0.422 nan 8.380 nan 0.000 0.426 458 C N -0.366 118.960 119.300 0.043 0.000 2.491 458 C HA 0.245 4.707 4.460 0.002 0.000 0.277 458 C C 1.570 176.589 174.990 0.047 0.000 1.455 458 C CA 0.253 59.302 59.018 0.052 0.000 1.758 458 C CB -1.454 26.343 27.740 0.095 0.000 1.745 458 C HN 0.650 nan 8.230 nan 0.000 0.558 459 G N 1.215 110.037 108.800 0.036 0.000 2.182 459 G HA2 -0.162 3.799 3.960 0.002 0.000 0.248 459 G HA3 -0.162 3.799 3.960 0.002 0.000 0.248 459 G C -0.327 174.590 174.900 0.029 0.000 1.042 459 G CA 0.060 45.177 45.100 0.028 0.000 0.775 459 G HN 0.547 nan 8.290 nan 0.000 0.501 460 E N -0.078 120.139 120.200 0.028 0.000 2.249 460 E HA 0.379 4.730 4.350 0.002 0.000 0.263 460 E C 0.105 176.699 176.600 -0.010 0.000 0.950 460 E CA -0.830 55.576 56.400 0.010 0.000 0.827 460 E CB 0.965 30.664 29.700 -0.001 0.000 1.220 460 E HN 0.482 nan 8.360 nan 0.000 0.411 461 E N 2.078 122.267 120.200 -0.019 0.000 2.104 461 E HA 0.071 4.422 4.350 0.002 0.000 0.278 461 E C -1.670 174.907 176.600 -0.038 0.000 1.127 461 E CA -1.507 54.881 56.400 -0.021 0.000 0.897 461 E CB 0.651 30.341 29.700 -0.016 0.000 1.043 461 E HN 0.131 nan 8.360 nan 0.000 0.410 462 P HA -0.243 nan 4.420 nan 0.000 0.215 462 P C 1.531 178.812 177.300 -0.031 0.000 1.157 462 P CA 1.321 64.401 63.100 -0.033 0.000 0.868 462 P CB 0.156 31.849 31.700 -0.013 0.000 0.788 463 S N -0.729 114.959 115.700 -0.020 0.000 2.380 463 S HA -0.191 4.280 4.470 0.002 0.000 0.229 463 S C 2.015 176.602 174.600 -0.022 0.000 1.043 463 S CA 2.000 60.191 58.200 -0.016 0.000 1.038 463 S CB -1.929 61.264 63.200 -0.011 0.000 0.872 463 S HN -0.028 nan 8.310 nan 0.000 0.456 464 V N 1.511 121.407 119.914 -0.029 0.000 2.307 464 V HA -0.102 4.019 4.120 0.002 0.000 0.245 464 V C 2.679 178.748 176.094 -0.041 0.000 1.045 464 V CA 1.576 63.856 62.300 -0.033 0.000 1.024 464 V CB -0.811 30.993 31.823 -0.031 0.000 0.651 464 V HN 0.459 nan 8.190 nan 0.000 0.449 465 V N 0.393 120.263 119.914 -0.072 0.000 2.307 465 V HA -0.226 3.896 4.120 0.002 0.000 0.245 465 V C 2.761 178.844 176.094 -0.017 0.000 1.045 465 V CA 1.965 64.205 62.300 -0.101 0.000 1.024 465 V CB -1.182 30.433 31.823 -0.346 0.000 0.651 465 V HN 0.542 nan 8.190 nan 0.000 0.449 466 A N 0.447 123.255 122.820 -0.019 0.000 1.948 466 A HA -0.332 3.990 4.320 0.002 0.000 0.220 466 A C 2.047 179.643 177.584 0.021 0.000 1.177 466 A CA 2.511 54.556 52.037 0.014 0.000 0.636 466 A CB -0.929 18.075 19.000 0.006 0.000 0.815 466 A HN 0.638 nan 8.150 nan 0.000 0.449 467 N N -0.629 118.072 118.700 0.003 0.000 2.120 467 N HA -0.116 4.626 4.740 0.002 0.000 0.188 467 N C 1.660 177.166 175.510 -0.006 0.000 1.024 467 N CA 2.293 55.340 53.050 -0.006 0.000 0.852 467 N CB -0.401 38.075 38.487 -0.019 0.000 1.003 467 N HN 0.407 nan 8.380 nan 0.000 0.424 468 T N -0.376 114.175 114.554 -0.004 0.000 2.777 468 T HA -0.053 4.298 4.350 0.002 0.000 0.266 468 T C 1.987 176.727 174.700 0.066 0.000 1.040 468 T CA 1.177 63.262 62.100 -0.026 0.000 1.141 468 T CB -0.434 68.357 68.868 -0.128 0.000 0.868 468 T HN 0.013 nan 8.240 nan 0.000 0.444 469 V N 1.840 121.848 119.914 0.158 0.000 2.255 469 V HA -0.245 3.877 4.120 0.002 0.000 0.247 469 V C 2.474 178.633 176.094 0.108 0.000 1.051 469 V CA 1.674 64.097 62.300 0.205 0.000 1.018 469 V CB -0.575 31.359 31.823 0.186 0.000 0.641 469 V HN 0.476 nan 8.190 nan 0.000 0.445 470 K N 0.236 120.671 120.400 0.057 0.000 2.160 470 K HA -0.169 4.152 4.320 0.002 0.000 0.206 470 K C 2.213 178.808 176.600 -0.009 0.000 1.047 470 K CA 1.480 57.781 56.287 0.023 0.000 0.930 470 K CB -0.657 31.850 32.500 0.012 0.000 0.720 470 K HN 0.602 nan 8.250 nan 0.000 0.450 471 G N 1.114 109.894 108.800 -0.033 0.000 2.422 471 G HA2 -0.127 3.835 3.960 0.002 0.000 0.218 471 G HA3 -0.127 3.835 3.960 0.002 0.000 0.218 471 G C 0.778 175.593 174.900 -0.140 0.000 1.146 471 G CA 0.746 45.796 45.100 -0.082 0.000 0.769 471 G HN 0.392 nan 8.290 nan 0.000 0.547 472 G N -0.880 107.815 108.800 -0.175 0.000 2.588 472 G HA2 0.481 4.442 3.960 0.002 0.000 0.281 472 G HA3 0.481 4.442 3.960 0.002 0.000 0.281 472 G C -1.184 173.654 174.900 -0.105 0.000 1.236 472 G CA -0.382 44.533 45.100 -0.308 0.000 0.969 472 G HN 0.106 nan 8.290 nan 0.000 0.504 473 D N -1.577 118.778 120.400 -0.074 0.000 2.490 473 D HA 0.564 5.206 4.640 0.002 0.000 0.232 473 D C 0.966 177.308 176.300 0.071 0.000 1.053 473 D CA 0.783 54.786 54.000 0.005 0.000 0.914 473 D CB 1.700 42.490 40.800 -0.015 0.000 1.431 473 D HN 0.829 nan 8.370 nan 0.000 0.483 474 G N 1.909 110.747 108.800 0.062 0.000 2.596 474 G HA2 -0.355 3.606 3.960 0.002 0.000 0.304 474 G HA3 -0.355 3.606 3.960 0.002 0.000 0.304 474 G C 0.307 175.264 174.900 0.095 0.000 1.189 474 G CA 0.399 45.541 45.100 0.071 0.000 0.986 474 G HN 0.604 nan 8.290 nan 0.000 0.548 475 N N -0.016 118.746 118.700 0.103 0.000 2.320 475 N HA 0.370 5.112 4.740 0.002 0.000 0.237 475 N C -0.180 175.408 175.510 0.130 0.000 1.129 475 N CA -0.173 52.935 53.050 0.096 0.000 0.854 475 N CB 0.404 38.925 38.487 0.056 0.000 1.083 475 N HN 0.506 nan 8.380 nan 0.000 0.504 476 Y N 0.796 121.126 120.300 0.050 0.000 2.335 476 Y HA 0.504 5.056 4.550 0.002 0.000 0.331 476 Y C 0.735 176.696 175.900 0.101 0.000 1.094 476 Y CA -0.014 58.130 58.100 0.073 0.000 1.253 476 Y CB 0.511 39.015 38.460 0.073 0.000 1.203 476 Y HN 0.053 nan 8.280 nan 0.000 0.508 477 G N 3.708 112.497 108.800 -0.020 0.000 2.561 477 G HA2 0.165 4.126 3.960 0.002 0.000 0.310 477 G HA3 0.165 4.126 3.960 0.002 0.000 0.310 477 G C -2.542 172.361 174.900 0.004 0.000 1.292 477 G CA -0.946 44.232 45.100 0.129 0.000 0.811 477 G HN 0.563 nan 8.290 nan 0.000 0.482 478 Y N 1.915 122.126 120.300 -0.147 0.000 2.356 478 Y HA 0.522 5.073 4.550 0.002 0.000 0.334 478 Y C 0.000 175.728 175.900 -0.287 0.000 0.958 478 Y CA -1.400 56.435 58.100 -0.440 0.000 1.196 478 Y CB 0.728 38.922 38.460 -0.445 0.000 1.137 478 Y HN 0.580 nan 8.280 nan 0.000 0.485 479 N N 3.945 122.196 118.700 -0.749 0.000 2.411 479 N HA 0.328 5.069 4.740 0.002 0.000 0.259 479 N C 0.377 175.325 175.510 -0.936 0.000 1.103 479 N CA 0.151 52.821 53.050 -0.633 0.000 0.954 479 N CB 1.774 40.028 38.487 -0.387 0.000 1.085 479 N HN 0.653 nan 8.380 nan 0.000 0.485 480 A N 2.148 124.583 122.820 -0.643 0.000 2.119 480 A HA 0.153 4.474 4.320 0.002 0.000 0.217 480 A C 1.939 179.368 177.584 -0.257 0.000 1.153 480 A CA 1.091 52.857 52.037 -0.452 0.000 0.692 480 A CB -0.613 18.329 19.000 -0.097 0.000 0.799 480 A HN 0.798 nan 8.150 nan 0.000 0.458 481 A N -1.383 121.296 122.820 -0.234 0.000 1.864 481 A HA 0.079 4.401 4.320 0.002 0.000 0.213 481 A C 2.206 179.702 177.584 -0.147 0.000 1.266 481 A CA 1.745 53.694 52.037 -0.146 0.000 0.612 481 A CB -1.017 17.916 19.000 -0.113 0.000 0.940 481 A HN 0.418 nan 8.150 nan 0.000 0.463 482 T N -0.184 114.266 114.554 -0.173 0.000 3.194 482 T HA 0.101 4.453 4.350 0.002 0.000 0.251 482 T C -0.087 174.514 174.700 -0.166 0.000 1.132 482 T CA 0.514 62.530 62.100 -0.141 0.000 1.028 482 T CB -0.892 67.905 68.868 -0.119 0.000 0.976 482 T HN 0.509 nan 8.240 nan 0.000 0.535 483 E N 1.558 121.602 120.200 -0.259 0.000 2.359 483 E HA -0.185 4.166 4.350 0.002 0.000 0.157 483 E C -0.240 176.252 176.600 -0.180 0.000 1.718 483 E CA 0.532 56.769 56.400 -0.270 0.000 0.620 483 E CB -0.742 28.915 29.700 -0.071 0.000 1.057 483 E HN 0.702 nan 8.360 nan 0.000 0.322 484 E N 0.727 120.744 120.200 -0.305 0.000 2.390 484 E HA 0.353 4.704 4.350 0.002 0.000 0.280 484 E C -1.424 175.008 176.600 -0.280 0.000 0.992 484 E CA -0.755 55.556 56.400 -0.149 0.000 0.790 484 E CB 1.185 30.832 29.700 -0.088 0.000 1.248 484 E HN 0.148 nan 8.360 nan 0.000 0.447 485 Y N 0.320 120.591 120.300 -0.048 0.000 2.361 485 Y HA 0.731 5.282 4.550 0.002 0.000 0.332 485 Y C 0.847 176.506 175.900 -0.401 0.000 1.101 485 Y CA 0.523 58.523 58.100 -0.166 0.000 1.137 485 Y CB 2.237 40.710 38.460 0.022 0.000 1.207 485 Y HN 0.686 nan 8.280 nan 0.000 0.463 486 G N 1.465 109.885 108.800 -0.634 0.000 2.323 486 G HA2 -0.041 3.920 3.960 0.002 0.000 0.291 486 G HA3 -0.041 3.920 3.960 0.002 0.000 0.291 486 G C -1.719 172.908 174.900 -0.455 0.000 1.278 486 G CA -1.262 43.473 45.100 -0.608 0.000 0.860 486 G HN 0.509 nan 8.290 nan 0.000 0.504 487 N N 1.068 119.657 118.700 -0.185 0.000 2.438 487 N HA 0.060 4.801 4.740 0.002 0.000 0.267 487 N C 1.604 177.068 175.510 -0.076 0.000 1.222 487 N CA -0.214 52.795 53.050 -0.067 0.000 0.930 487 N CB 0.661 39.145 38.487 -0.004 0.000 1.083 487 N HN 0.397 nan 8.380 nan 0.000 0.476 488 M N 3.717 123.284 119.600 -0.056 0.000 2.123 488 M HA -0.115 4.366 4.480 0.002 0.000 0.263 488 M C 1.786 178.062 176.300 -0.041 0.000 1.069 488 M CA 0.915 56.180 55.300 -0.058 0.000 1.133 488 M CB -0.515 32.064 32.600 -0.034 0.000 1.356 488 M HN 0.536 nan 8.290 nan 0.000 0.415 489 I N 0.727 121.286 120.570 -0.019 0.000 2.208 489 I HA -0.289 3.883 4.170 0.002 0.000 0.245 489 I C 1.851 177.956 176.117 -0.019 0.000 1.097 489 I CA 1.606 62.898 61.300 -0.013 0.000 1.363 489 I CB -1.753 36.246 38.000 -0.001 0.000 1.051 489 I HN 0.228 nan 8.210 nan 0.000 0.413 490 D N 0.888 121.275 120.400 -0.020 0.000 2.123 490 D HA -0.166 4.475 4.640 0.002 0.000 0.196 490 D C 2.249 178.529 176.300 -0.033 0.000 0.992 490 D CA 1.266 55.253 54.000 -0.022 0.000 0.833 490 D CB -0.238 40.550 40.800 -0.019 0.000 0.954 490 D HN 0.343 nan 8.370 nan 0.000 0.455 491 M N -0.853 118.718 119.600 -0.049 0.000 2.659 491 M HA 0.125 4.607 4.480 0.002 0.000 0.243 491 M C 1.087 177.354 176.300 -0.056 0.000 1.111 491 M CA 0.715 55.979 55.300 -0.061 0.000 1.070 491 M CB 0.309 32.855 32.600 -0.090 0.000 1.525 491 M HN 0.106 nan 8.290 nan 0.000 0.517 492 G N 2.053 110.827 108.800 -0.044 0.000 2.147 492 G HA2 -0.246 3.715 3.960 0.002 0.000 0.244 492 G HA3 -0.246 3.715 3.960 0.002 0.000 0.244 492 G C -0.074 174.801 174.900 -0.041 0.000 1.005 492 G CA -0.241 44.837 45.100 -0.037 0.000 0.713 492 G HN 0.512 nan 8.290 nan 0.000 0.515 493 I N 0.960 121.500 120.570 -0.049 0.000 2.347 493 I HA 0.572 4.743 4.170 0.002 0.000 0.283 493 I C 0.136 176.235 176.117 -0.031 0.000 1.058 493 I CA -0.915 60.356 61.300 -0.050 0.000 1.202 493 I CB 0.676 38.630 38.000 -0.076 0.000 1.386 493 I HN 0.232 nan 8.210 nan 0.000 0.475 494 L N 2.779 123.990 121.223 -0.020 0.000 2.424 494 L HA 0.768 5.110 4.340 0.002 0.000 0.258 494 L C -1.259 175.610 176.870 -0.001 0.000 0.995 494 L CA -0.719 54.116 54.840 -0.008 0.000 0.821 494 L CB 1.627 43.683 42.059 -0.005 0.000 1.383 494 L HN 0.065 nan 8.230 nan 0.000 0.410 495 D N 0.761 121.165 120.400 0.006 0.000 2.342 495 D HA 0.502 5.144 4.640 0.002 0.000 0.243 495 D C -2.668 173.640 176.300 0.014 0.000 1.019 495 D CA -1.266 52.741 54.000 0.011 0.000 0.864 495 D CB 2.230 43.039 40.800 0.016 0.000 1.315 495 D HN 0.393 nan 8.370 nan 0.000 0.468 496 P HA 0.053 nan 4.420 nan 0.000 0.268 496 P C 0.826 178.139 177.300 0.022 0.000 1.204 496 P CA 0.034 63.146 63.100 0.019 0.000 0.768 496 P CB 0.577 32.291 31.700 0.024 0.000 0.842 497 T N 2.076 116.642 114.554 0.020 0.000 2.759 497 T HA -0.214 4.138 4.350 0.002 0.000 0.269 497 T C 1.629 176.344 174.700 0.025 0.000 1.042 497 T CA 1.378 63.490 62.100 0.020 0.000 1.140 497 T CB -0.335 68.543 68.868 0.017 0.000 0.864 497 T HN 0.484 nan 8.240 nan 0.000 0.455 498 K N 0.829 121.245 120.400 0.027 0.000 2.074 498 K HA -0.147 4.175 4.320 0.002 0.000 0.209 498 K C 2.415 179.044 176.600 0.048 0.000 1.048 498 K CA 1.660 57.968 56.287 0.035 0.000 0.926 498 K CB -0.388 32.134 32.500 0.037 0.000 0.713 498 K HN 0.367 nan 8.250 nan 0.000 0.444 499 V N -1.027 118.914 119.914 0.045 0.000 2.453 499 V HA -0.156 3.966 4.120 0.002 0.000 0.247 499 V C 1.729 177.853 176.094 0.051 0.000 1.048 499 V CA 2.244 64.575 62.300 0.051 0.000 1.049 499 V CB -0.688 31.159 31.823 0.040 0.000 0.672 499 V HN 0.284 nan 8.190 nan 0.000 0.457 500 T N 0.410 114.987 114.554 0.040 0.000 2.737 500 T HA -0.114 4.237 4.350 0.002 0.000 0.265 500 T C 1.987 176.710 174.700 0.037 0.000 1.038 500 T CA 1.973 64.095 62.100 0.036 0.000 1.144 500 T CB -0.365 68.521 68.868 0.029 0.000 0.866 500 T HN 0.588 nan 8.240 nan 0.000 0.434 501 R N 0.948 121.467 120.500 0.031 0.000 2.070 501 R HA -0.090 4.251 4.340 0.002 0.000 0.233 501 R C 2.592 178.905 176.300 0.022 0.000 1.137 501 R CA 1.771 57.882 56.100 0.018 0.000 0.945 501 R CB -0.414 29.892 30.300 0.010 0.000 0.845 501 R HN 0.229 nan 8.270 nan 0.000 0.430 502 S N 0.517 116.253 115.700 0.060 0.000 2.356 502 S HA -0.147 4.324 4.470 0.002 0.000 0.223 502 S C 2.010 176.737 174.600 0.211 0.000 1.032 502 S CA 1.221 59.504 58.200 0.138 0.000 1.005 502 S CB -0.295 63.038 63.200 0.221 0.000 0.867 502 S HN 0.583 nan 8.310 nan 0.000 0.449 503 A N 1.284 124.191 122.820 0.145 0.000 1.883 503 A HA -0.105 4.217 4.320 0.002 0.000 0.217 503 A C 2.144 179.789 177.584 0.103 0.000 1.186 503 A CA 1.599 53.711 52.037 0.125 0.000 0.624 503 A CB -0.746 18.298 19.000 0.074 0.000 0.822 503 A HN 0.422 nan 8.150 nan 0.000 0.444 504 L N -0.392 120.868 121.223 0.061 0.000 2.027 504 L HA -0.155 4.186 4.340 0.002 0.000 0.206 504 L C 2.495 179.374 176.870 0.015 0.000 1.074 504 L CA 2.326 57.187 54.840 0.035 0.000 0.745 504 L CB -0.831 41.239 42.059 0.018 0.000 0.898 504 L HN 0.506 nan 8.230 nan 0.000 0.433 505 Q N -1.728 118.053 119.800 -0.031 0.000 2.050 505 Q HA -0.237 4.104 4.340 0.002 0.000 0.202 505 Q C 2.182 178.105 176.000 -0.128 0.000 0.980 505 Q CA 2.233 57.963 55.803 -0.122 0.000 0.840 505 Q CB -0.343 28.254 28.738 -0.235 0.000 0.898 505 Q HN 0.518 nan 8.270 nan 0.000 0.424 506 Y N 0.062 120.367 120.300 0.008 0.000 2.200 506 Y HA -0.199 4.352 4.550 0.002 0.000 0.290 506 Y C 2.372 178.277 175.900 0.008 0.000 1.137 506 Y CA 1.021 59.125 58.100 0.007 0.000 1.163 506 Y CB -0.700 37.764 38.460 0.007 0.000 0.988 506 Y HN 0.145 nan 8.280 nan 0.000 0.518 507 A N 0.117 123.032 122.820 0.158 0.000 1.883 507 A HA -0.202 4.120 4.320 0.002 0.000 0.217 507 A C 2.471 180.092 177.584 0.062 0.000 1.186 507 A CA 2.200 54.292 52.037 0.092 0.000 0.624 507 A CB -1.326 17.714 19.000 0.067 0.000 0.822 507 A HN 0.409 nan 8.150 nan 0.000 0.444 508 A N -0.884 121.960 122.820 0.041 0.000 1.933 508 A HA -0.078 4.244 4.320 0.002 0.000 0.218 508 A C 2.463 180.060 177.584 0.022 0.000 1.175 508 A CA 2.163 54.213 52.037 0.021 0.000 0.628 508 A CB -0.975 18.027 19.000 0.003 0.000 0.814 508 A HN 0.636 nan 8.150 nan 0.000 0.444 509 S N -0.724 114.991 115.700 0.024 0.000 2.351 509 S HA -0.167 4.304 4.470 0.002 0.000 0.220 509 S C 1.985 176.613 174.600 0.047 0.000 1.035 509 S CA 1.965 60.183 58.200 0.030 0.000 1.031 509 S CB -0.670 62.555 63.200 0.041 0.000 0.928 509 S HN 0.590 nan 8.310 nan 0.000 0.433 510 V N 1.641 121.595 119.914 0.068 0.000 2.515 510 V HA 0.042 4.163 4.120 0.002 0.000 0.250 510 V C 2.606 178.724 176.094 0.040 0.000 1.058 510 V CA 1.956 64.289 62.300 0.056 0.000 1.064 510 V CB -1.049 30.811 31.823 0.061 0.000 0.675 510 V HN 0.614 nan 8.190 nan 0.000 0.461 511 A N 0.039 122.881 122.820 0.038 0.000 1.898 511 A HA -0.013 4.308 4.320 0.002 0.000 0.216 511 A C 2.357 179.955 177.584 0.024 0.000 1.181 511 A CA 1.808 53.862 52.037 0.029 0.000 0.620 511 A CB -1.361 17.655 19.000 0.027 0.000 0.819 511 A HN 0.630 nan 8.150 nan 0.000 0.442 512 G N -0.173 108.640 108.800 0.022 0.000 2.418 512 G HA2 -0.158 3.804 3.960 0.002 0.000 0.217 512 G HA3 -0.158 3.804 3.960 0.002 0.000 0.217 512 G C 1.554 176.466 174.900 0.020 0.000 1.158 512 G CA 1.011 46.122 45.100 0.018 0.000 0.771 512 G HN 0.425 nan 8.290 nan 0.000 0.545 513 L N -0.325 120.912 121.223 0.023 0.000 2.046 513 L HA -0.043 4.298 4.340 0.002 0.000 0.208 513 L C 3.099 179.983 176.870 0.024 0.000 1.077 513 L CA 1.002 55.856 54.840 0.024 0.000 0.747 513 L CB -0.304 41.772 42.059 0.028 0.000 0.896 513 L HN 0.242 nan 8.230 nan 0.000 0.432 514 M N -0.649 118.966 119.600 0.025 0.000 2.099 514 M HA -0.196 4.285 4.480 0.002 0.000 0.262 514 M C 2.316 178.630 176.300 0.022 0.000 1.067 514 M CA 1.781 57.096 55.300 0.025 0.000 1.124 514 M CB -0.275 32.340 32.600 0.026 0.000 1.353 514 M HN 0.171 nan 8.290 nan 0.000 0.410 515 I N 0.084 120.666 120.570 0.021 0.000 2.335 515 I HA -0.255 3.916 4.170 0.002 0.000 0.251 515 I C 1.832 177.960 176.117 0.019 0.000 1.129 515 I CA 1.551 62.862 61.300 0.018 0.000 1.402 515 I CB -0.426 37.584 38.000 0.016 0.000 1.069 515 I HN 0.401 nan 8.210 nan 0.000 0.424 516 T N -3.256 111.310 114.554 0.020 0.000 3.244 516 T HA 0.149 4.501 4.350 0.002 0.000 0.254 516 T C 0.528 175.242 174.700 0.024 0.000 1.024 516 T CA -0.291 61.822 62.100 0.021 0.000 0.920 516 T CB -0.500 68.380 68.868 0.019 0.000 1.042 516 T HN -0.027 nan 8.240 nan 0.000 0.572 517 T N 2.299 116.867 114.554 0.025 0.000 2.806 517 T HA 0.321 4.672 4.350 0.002 0.000 0.290 517 T C 0.578 175.296 174.700 0.030 0.000 0.966 517 T CA -0.553 61.562 62.100 0.025 0.000 1.060 517 T CB 1.631 70.512 68.868 0.023 0.000 0.927 517 T HN 0.108 nan 8.240 nan 0.000 0.485 518 E N 0.461 120.685 120.200 0.039 0.000 2.485 518 E HA 0.181 4.532 4.350 0.002 0.000 0.213 518 E C 0.006 176.643 176.600 0.062 0.000 0.923 518 E CA 0.089 56.529 56.400 0.067 0.000 1.054 518 E CB 0.815 30.570 29.700 0.092 0.000 1.077 518 E HN 0.566 nan 8.360 nan 0.000 0.509 519 C N 0.576 119.872 119.300 -0.007 0.000 2.880 519 C HA 0.683 5.144 4.460 0.002 0.000 0.320 519 C C -1.383 173.541 174.990 -0.110 0.000 1.176 519 C CA -0.549 58.381 59.018 -0.147 0.000 1.390 519 C CB 0.628 28.286 27.740 -0.138 0.000 1.846 519 C HN 0.130 nan 8.230 nan 0.000 0.478 520 M N 4.886 124.401 119.600 -0.142 0.000 2.326 520 M HA 0.575 5.056 4.480 0.002 0.000 0.292 520 M C -1.238 175.103 176.300 0.068 0.000 1.081 520 M CA -0.546 54.773 55.300 0.030 0.000 0.919 520 M CB 2.151 34.877 32.600 0.210 0.000 1.634 520 M HN 0.363 nan 8.290 nan 0.000 0.451 521 V N 1.238 121.166 119.914 0.024 0.000 2.487 521 V HA 0.772 4.893 4.120 0.002 0.000 0.298 521 V C -0.303 175.739 176.094 -0.088 0.000 1.028 521 V CA -0.422 61.873 62.300 -0.009 0.000 0.860 521 V CB 1.816 33.623 31.823 -0.027 0.000 0.991 521 V HN 0.962 nan 8.190 nan 0.000 0.427 522 T N 2.232 116.686 114.554 -0.166 0.000 2.778 522 T HA 0.456 4.807 4.350 0.002 0.000 0.293 522 T C -1.156 173.437 174.700 -0.179 0.000 1.144 522 T CA -0.485 61.460 62.100 -0.258 0.000 1.010 522 T CB 1.931 70.478 68.868 -0.535 0.000 1.325 522 T HN 0.698 nan 8.240 nan 0.000 0.515 523 D N 1.032 121.336 120.400 -0.160 0.000 2.358 523 D HA 0.432 5.073 4.640 0.002 0.000 0.244 523 D C -0.263 175.982 176.300 -0.091 0.000 1.163 523 D CA -0.351 53.591 54.000 -0.097 0.000 0.945 523 D CB 0.360 41.115 40.800 -0.076 0.000 1.152 523 D HN 0.131 nan 8.370 nan 0.000 0.451 524 L N 1.960 123.158 121.223 -0.042 0.000 2.426 524 L HA 0.304 4.645 4.340 0.002 0.000 0.271 524 L C -1.593 175.264 176.870 -0.022 0.000 1.169 524 L CA -1.362 53.468 54.840 -0.016 0.000 0.836 524 L CB -0.638 41.423 42.059 0.003 0.000 1.112 524 L HN 0.404 nan 8.230 nan 0.000 0.465 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.096 63.100 -0.006 0.000 0.800 525 P CB 0.000 31.707 31.700 0.011 0.000 0.726