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 3coz_1_A DATA FIRST_RESID 3 DATA SEQUENCE IPAFHPGELN VYSAPGDVAD VSRALRLTGR RVMLVPTMGA LHEGHLALVR DATA SEQUENCE AAKRVPGSVV VVSIFVNPMQ FGAGGDLDAY PRTPDDDLAQ LRAEGVEIAF DATA SEQUENCE TPTTAAMYPD GLRTTVQPGP LAAELEGGPR PTHFAGVLTV VLKLLQIVRP DATA SEQUENCE DRVFFGEKDY QQLVLIRQLV ADFNLDVAVV GVPTVREADG LAMSSRNRYL DATA SEQUENCE DPAQRAAAVA LSAALTAAAH AATAGAQAAL DAARAVLDAA PGVAVDYLEL DATA SEQUENCE RDIGLGPMPL NGSGRLLVAA RLGTTRLLDN IAIEIGTF 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 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.105 176.117 -0.019 0.000 1.063 3 I CA 0.000 61.274 61.300 -0.044 0.000 1.566 3 I CB 0.000 37.960 38.000 -0.067 0.000 1.214 4 P HA 0.636 nan 4.420 nan 0.000 0.277 4 P C -0.716 176.629 177.300 0.076 0.000 1.271 4 P CA -0.498 62.632 63.100 0.050 0.000 0.795 4 P CB 0.520 32.277 31.700 0.095 0.000 1.101 5 A N 0.541 123.424 122.820 0.105 0.000 2.425 5 A HA 0.434 4.723 4.320 -0.052 0.000 0.249 5 A C -0.851 176.790 177.584 0.096 0.000 1.084 5 A CA -0.073 51.968 52.037 0.006 0.000 0.781 5 A CB -0.584 18.360 19.000 -0.093 0.000 1.019 5 A HN 0.514 nan 8.150 nan 0.000 0.490 6 F N 3.461 123.298 119.950 -0.188 0.000 2.499 6 F HA 0.403 4.900 4.527 -0.051 0.000 0.333 6 F C -0.499 175.141 175.800 -0.266 0.000 1.138 6 F CA -0.584 57.349 58.000 -0.112 0.000 0.945 6 F CB 1.296 40.300 39.000 0.007 0.000 1.181 6 F HN 0.628 nan 8.300 nan 0.000 0.435 7 H N 6.684 125.424 119.070 -0.550 0.000 2.690 7 H HA 0.295 4.819 4.556 -0.052 0.000 0.289 7 H C -2.450 172.384 175.328 -0.823 0.000 1.089 7 H CA -1.891 53.853 56.048 -0.505 0.000 1.299 7 H CB 0.805 30.404 29.762 -0.273 0.000 1.405 7 H HN 0.362 nan 8.280 nan 0.000 0.463 8 P HA 0.019 nan 4.420 nan 0.000 0.269 8 P C 1.088 178.290 177.300 -0.164 0.000 1.209 8 P CA 0.573 63.478 63.100 -0.325 0.000 0.776 8 P CB 0.644 32.344 31.700 -0.001 0.000 0.876 9 G N 0.174 108.923 108.800 -0.085 0.000 2.166 9 G HA2 -0.281 3.647 3.960 -0.052 0.000 0.260 9 G HA3 -0.281 3.647 3.960 -0.052 0.000 0.260 9 G C 0.063 174.924 174.900 -0.064 0.000 0.986 9 G CA 0.430 45.504 45.100 -0.043 0.000 0.683 9 G HN 0.631 nan 8.290 nan 0.000 0.527 10 E N -1.219 118.914 120.200 -0.112 0.000 2.336 10 E HA 0.684 5.003 4.350 -0.052 0.000 0.267 10 E C -0.465 176.086 176.600 -0.083 0.000 0.906 10 E CA -1.179 55.161 56.400 -0.099 0.000 0.781 10 E CB 1.296 30.928 29.700 -0.114 0.000 1.261 10 E HN 0.248 nan 8.360 nan 0.000 0.436 11 L N 3.541 124.732 121.223 -0.054 0.000 2.315 11 L HA 0.324 4.633 4.340 -0.052 0.000 0.283 11 L C -1.105 175.729 176.870 -0.059 0.000 1.089 11 L CA 0.084 54.905 54.840 -0.031 0.000 0.833 11 L CB 0.308 42.355 42.059 -0.020 0.000 1.170 11 L HN 0.419 nan 8.230 nan 0.000 0.442 12 N N 4.888 123.557 118.700 -0.052 0.000 2.425 12 N HA 0.302 5.011 4.740 -0.052 0.000 0.268 12 N C -1.216 174.107 175.510 -0.311 0.000 0.991 12 N CA -0.453 52.489 53.050 -0.181 0.000 0.931 12 N CB 2.130 40.580 38.487 -0.062 0.000 1.130 12 N HN 0.322 nan 8.380 nan 0.000 0.493 13 V N 3.683 123.367 119.914 -0.384 0.000 2.370 13 V HA 0.348 4.437 4.120 -0.052 0.000 0.283 13 V C -0.912 174.949 176.094 -0.389 0.000 1.023 13 V CA -0.573 61.574 62.300 -0.256 0.000 0.857 13 V CB -0.090 31.674 31.823 -0.098 0.000 0.985 13 V HN 0.477 nan 8.190 nan 0.000 0.443 14 Y N 2.067 122.462 120.300 0.159 0.000 2.364 14 Y HA 0.440 4.958 4.550 -0.053 0.000 0.340 14 Y C 1.190 177.235 175.900 0.242 0.000 0.975 14 Y CA -0.549 57.658 58.100 0.178 0.000 1.089 14 Y CB 2.335 40.893 38.460 0.164 0.000 1.192 14 Y HN 0.515 nan 8.280 nan 0.000 0.454 15 S N 1.249 117.137 115.700 0.312 0.000 2.468 15 S HA 0.226 4.664 4.470 -0.052 0.000 0.226 15 S C 0.781 175.535 174.600 0.255 0.000 1.051 15 S CA 0.208 58.528 58.200 0.200 0.000 0.943 15 S CB 0.109 63.372 63.200 0.105 0.000 0.810 15 S HN 0.704 nan 8.310 nan 0.000 0.509 16 A N 2.584 125.554 122.820 0.251 0.000 2.409 16 A HA 0.432 4.721 4.320 -0.052 0.000 0.267 16 A C -1.605 176.119 177.584 0.234 0.000 1.127 16 A CA -1.246 50.904 52.037 0.188 0.000 0.795 16 A CB 0.055 19.121 19.000 0.110 0.000 1.061 16 A HN 0.122 nan 8.150 nan 0.000 0.502 17 P HA -0.164 nan 4.420 nan 0.000 0.216 17 P C 1.787 179.027 177.300 -0.100 0.000 1.153 17 P CA 2.009 65.160 63.100 0.085 0.000 0.858 17 P CB 0.117 31.868 31.700 0.085 0.000 0.789 18 G N -0.269 108.497 108.800 -0.056 0.000 2.469 18 G HA2 -0.287 3.642 3.960 -0.052 0.000 0.219 18 G HA3 -0.287 3.642 3.960 -0.052 0.000 0.219 18 G C 1.230 176.046 174.900 -0.140 0.000 1.150 18 G CA 1.183 46.229 45.100 -0.090 0.000 0.763 18 G HN 0.186 nan 8.290 nan 0.000 0.561 19 D N -0.174 120.151 120.400 -0.126 0.000 2.078 19 D HA -0.105 4.504 4.640 -0.052 0.000 0.193 19 D C 2.583 178.595 176.300 -0.480 0.000 0.990 19 D CA 1.010 54.875 54.000 -0.225 0.000 0.827 19 D CB -0.817 39.933 40.800 -0.084 0.000 0.975 19 D HN 0.112 nan 8.370 nan 0.000 0.451 20 V N 0.529 120.145 119.914 -0.496 0.000 2.626 20 V HA -0.173 3.916 4.120 -0.052 0.000 0.252 20 V C 2.092 177.895 176.094 -0.486 0.000 1.067 20 V CA 1.899 63.825 62.300 -0.623 0.000 1.081 20 V CB -0.429 30.990 31.823 -0.675 0.000 0.686 20 V HN 0.200 nan 8.190 nan 0.000 0.468 21 A N -0.424 122.161 122.820 -0.392 0.000 1.873 21 A HA -0.206 4.083 4.320 -0.052 0.000 0.215 21 A C 1.984 179.421 177.584 -0.244 0.000 1.186 21 A CA 1.918 53.783 52.037 -0.287 0.000 0.616 21 A CB -0.674 18.195 19.000 -0.218 0.000 0.823 21 A HN 0.581 nan 8.150 nan 0.000 0.442 22 D N -0.229 120.028 120.400 -0.238 0.000 2.097 22 D HA -0.098 4.511 4.640 -0.052 0.000 0.195 22 D C 2.111 178.275 176.300 -0.228 0.000 0.989 22 D CA 1.461 55.343 54.000 -0.197 0.000 0.827 22 D CB -0.501 40.200 40.800 -0.166 0.000 0.966 22 D HN 0.197 nan 8.370 nan 0.000 0.456 23 V N 0.726 120.448 119.914 -0.320 0.000 2.343 23 V HA -0.223 3.866 4.120 -0.052 0.000 0.247 23 V C 2.606 178.500 176.094 -0.334 0.000 1.051 23 V CA 1.899 63.991 62.300 -0.347 0.000 1.036 23 V CB -0.579 30.943 31.823 -0.501 0.000 0.654 23 V HN 0.199 nan 8.190 nan 0.000 0.451 24 S N -0.404 115.108 115.700 -0.312 0.000 2.356 24 S HA -0.253 4.185 4.470 -0.052 0.000 0.223 24 S C 2.236 176.718 174.600 -0.198 0.000 1.032 24 S CA 1.912 59.960 58.200 -0.253 0.000 1.005 24 S CB -0.323 62.743 63.200 -0.223 0.000 0.867 24 S HN 0.547 nan 8.310 nan 0.000 0.449 25 R N 0.553 120.947 120.500 -0.178 0.000 2.080 25 R HA -0.080 4.229 4.340 -0.052 0.000 0.236 25 R C 2.451 178.675 176.300 -0.127 0.000 1.137 25 R CA 1.518 57.538 56.100 -0.135 0.000 0.943 25 R CB -0.875 29.352 30.300 -0.123 0.000 0.846 25 R HN 0.466 nan 8.270 nan 0.000 0.431 26 A N 1.354 124.088 122.820 -0.143 0.000 1.873 26 A HA -0.204 4.085 4.320 -0.052 0.000 0.218 26 A C 2.284 179.788 177.584 -0.134 0.000 1.193 26 A CA 1.711 53.672 52.037 -0.126 0.000 0.629 26 A CB -0.840 18.082 19.000 -0.129 0.000 0.826 26 A HN 0.392 nan 8.150 nan 0.000 0.447 27 L N -1.386 119.720 121.223 -0.196 0.000 2.079 27 L HA -0.205 4.104 4.340 -0.052 0.000 0.210 27 L C 2.830 179.625 176.870 -0.124 0.000 1.081 27 L CA 1.773 56.495 54.840 -0.197 0.000 0.752 27 L CB -0.426 41.447 42.059 -0.310 0.000 0.896 27 L HN 0.447 nan 8.230 nan 0.000 0.433 28 R N 0.305 120.736 120.500 -0.114 0.000 2.120 28 R HA -0.133 4.176 4.340 -0.052 0.000 0.234 28 R C 2.217 178.481 176.300 -0.059 0.000 1.123 28 R CA 1.110 57.163 56.100 -0.078 0.000 0.975 28 R CB -0.082 30.173 30.300 -0.076 0.000 0.866 28 R HN 0.354 nan 8.270 nan 0.000 0.446 29 L N -0.141 121.044 121.223 -0.063 0.000 2.217 29 L HA -0.053 4.256 4.340 -0.052 0.000 0.211 29 L C 2.143 178.991 176.870 -0.038 0.000 1.107 29 L CA 1.401 56.213 54.840 -0.047 0.000 0.783 29 L CB -0.482 41.548 42.059 -0.048 0.000 0.919 29 L HN 0.307 nan 8.230 nan 0.000 0.442 30 T N -2.951 111.577 114.554 -0.043 0.000 3.252 30 T HA 0.240 4.559 4.350 -0.052 0.000 0.250 30 T C 1.434 176.122 174.700 -0.020 0.000 1.123 30 T CA 0.532 62.615 62.100 -0.027 0.000 1.006 30 T CB 0.232 69.086 68.868 -0.024 0.000 0.992 30 T HN 0.532 nan 8.240 nan 0.000 0.547 31 G N 1.763 110.549 108.800 -0.024 0.000 2.284 31 G HA2 -0.254 3.674 3.960 -0.052 0.000 0.247 31 G HA3 -0.254 3.674 3.960 -0.052 0.000 0.247 31 G C 0.319 175.211 174.900 -0.014 0.000 1.012 31 G CA -0.202 44.889 45.100 -0.015 0.000 0.618 31 G HN 0.665 nan 8.290 nan 0.000 0.521 32 R N 0.998 121.485 120.500 -0.021 0.000 2.570 32 R HA 0.318 4.627 4.340 -0.052 0.000 0.277 32 R C 0.541 176.829 176.300 -0.021 0.000 1.039 32 R CA 0.003 56.093 56.100 -0.017 0.000 1.065 32 R CB 0.350 30.632 30.300 -0.031 0.000 0.964 32 R HN 0.428 nan 8.270 nan 0.000 0.428 33 R N 1.234 121.733 120.500 -0.003 0.000 2.297 33 R HA 0.268 4.577 4.340 -0.052 0.000 0.308 33 R C -0.357 175.948 176.300 0.009 0.000 1.029 33 R CA -0.553 55.550 56.100 0.005 0.000 0.929 33 R CB 1.276 31.590 30.300 0.024 0.000 1.046 33 R HN 0.252 nan 8.270 nan 0.000 0.461 34 V N 5.371 125.286 119.914 0.002 0.000 2.383 34 V HA 0.254 4.343 4.120 -0.052 0.000 0.275 34 V C 0.181 176.307 176.094 0.054 0.000 1.036 34 V CA -0.345 61.955 62.300 0.000 0.000 0.889 34 V CB 1.373 33.172 31.823 -0.039 0.000 0.985 34 V HN 0.633 nan 8.190 nan 0.000 0.459 35 M N 5.968 125.616 119.600 0.080 0.000 2.336 35 M HA 0.525 4.974 4.480 -0.052 0.000 0.342 35 M C -0.847 175.537 176.300 0.139 0.000 1.128 35 M CA -0.751 54.655 55.300 0.178 0.000 1.016 35 M CB 1.479 34.167 32.600 0.147 0.000 1.665 35 M HN 0.484 nan 8.290 nan 0.000 0.445 36 L N 4.154 125.498 121.223 0.203 0.000 2.333 36 L HA 0.616 4.925 4.340 -0.052 0.000 0.280 36 L C -1.179 175.776 176.870 0.142 0.000 1.004 36 L CA -0.416 54.499 54.840 0.126 0.000 0.820 36 L CB 1.629 43.736 42.059 0.081 0.000 1.247 36 L HN 0.461 nan 8.230 nan 0.000 0.416 37 V N 6.808 126.756 119.914 0.056 0.000 2.284 37 V HA 0.425 4.514 4.120 -0.052 0.000 0.274 37 V C -2.257 173.813 176.094 -0.040 0.000 1.023 37 V CA -1.368 60.925 62.300 -0.011 0.000 0.808 37 V CB 0.933 32.737 31.823 -0.031 0.000 1.035 37 V HN 0.700 nan 8.190 nan 0.000 0.445 38 P HA 0.374 nan 4.420 nan 0.000 0.282 38 P C -0.071 177.229 177.300 -0.001 0.000 1.262 38 P CA 0.192 63.274 63.100 -0.030 0.000 0.773 38 P CB 0.946 32.630 31.700 -0.027 0.000 0.879 39 T N -0.344 114.238 114.554 0.047 0.000 2.887 39 T HA 0.521 4.840 4.350 -0.052 0.000 0.292 39 T C 0.438 175.171 174.700 0.054 0.000 1.087 39 T CA -0.851 61.271 62.100 0.037 0.000 1.009 39 T CB 1.129 69.942 68.868 -0.092 0.000 1.203 39 T HN 0.137 nan 8.240 nan 0.000 0.518 40 M N 1.365 120.994 119.600 0.049 0.000 2.475 40 M HA 0.348 4.797 4.480 -0.052 0.000 0.261 40 M C 1.194 177.555 176.300 0.101 0.000 1.177 40 M CA 0.194 55.522 55.300 0.045 0.000 0.979 40 M CB -0.321 32.234 32.600 -0.075 0.000 1.482 40 M HN 1.222 nan 8.290 nan 0.000 0.484 41 G N 1.265 110.055 108.800 -0.017 0.000 2.693 41 G HA2 -0.081 3.848 3.960 -0.052 0.000 0.226 41 G HA3 -0.081 3.848 3.960 -0.052 0.000 0.226 41 G C 0.143 175.000 174.900 -0.071 0.000 1.354 41 G CA -0.194 44.877 45.100 -0.048 0.000 0.873 41 G HN 1.075 nan 8.290 nan 0.000 0.562 42 A N -1.938 120.862 122.820 -0.033 0.000 2.519 42 A HA -0.026 4.262 4.320 -0.052 0.000 0.297 42 A C 0.685 178.224 177.584 -0.075 0.000 1.472 42 A CA 1.666 53.690 52.037 -0.021 0.000 0.739 42 A CB -1.968 17.029 19.000 -0.004 0.000 1.096 42 A HN 1.835 nan 8.150 nan 0.000 0.414 43 L N 1.382 122.522 121.223 -0.138 0.000 2.416 43 L HA 0.575 4.884 4.340 -0.052 0.000 0.272 43 L C 0.919 177.854 176.870 0.108 0.000 1.161 43 L CA -0.012 54.723 54.840 -0.174 0.000 0.845 43 L CB 0.445 42.419 42.059 -0.141 0.000 1.119 43 L HN 0.863 nan 8.230 nan 0.000 0.464 44 H N -0.619 118.695 119.070 0.408 0.000 3.043 44 H HA 0.330 4.855 4.556 -0.052 0.000 0.302 44 H C 0.313 175.720 175.328 0.132 0.000 1.506 44 H CA -0.970 55.190 56.048 0.187 0.000 1.282 44 H CB 0.491 30.320 29.762 0.112 0.000 1.914 44 H HN 0.342 nan 8.280 nan 0.000 0.625 45 E N 0.007 120.404 120.200 0.329 0.000 2.153 45 E HA -0.041 4.278 4.350 -0.052 0.000 0.194 45 E C 2.173 178.880 176.600 0.180 0.000 0.988 45 E CA 1.847 58.357 56.400 0.184 0.000 0.811 45 E CB -0.802 28.957 29.700 0.099 0.000 0.746 45 E HN 0.802 nan 8.360 nan 0.000 0.466 46 G N -0.898 108.092 108.800 0.316 0.000 2.421 46 G HA2 -0.292 3.637 3.960 -0.052 0.000 0.216 46 G HA3 -0.292 3.637 3.960 -0.052 0.000 0.216 46 G C 1.123 176.009 174.900 -0.023 0.000 1.171 46 G CA 1.185 46.365 45.100 0.133 0.000 0.775 46 G HN 0.407 nan 8.290 nan 0.000 0.543 47 H N 0.107 119.161 119.070 -0.027 0.000 2.421 47 H HA 0.109 4.633 4.556 -0.053 0.000 0.298 47 H C 2.515 177.824 175.328 -0.032 0.000 1.087 47 H CA 0.919 56.920 56.048 -0.079 0.000 1.330 47 H CB -0.074 29.581 29.762 -0.179 0.000 1.388 47 H HN 0.243 nan 8.280 nan 0.000 0.526 48 L N -0.047 121.240 121.223 0.106 0.000 2.291 48 L HA -0.038 4.271 4.340 -0.052 0.000 0.214 48 L C 2.625 179.510 176.870 0.024 0.000 1.120 48 L CA 0.545 55.418 54.840 0.055 0.000 0.799 48 L CB -0.399 41.694 42.059 0.057 0.000 0.925 48 L HN 0.353 nan 8.230 nan 0.000 0.446 49 A N 0.509 123.351 122.820 0.036 0.000 1.969 49 A HA -0.115 4.174 4.320 -0.052 0.000 0.218 49 A C 2.238 179.822 177.584 0.001 0.000 1.169 49 A CA 1.103 53.155 52.037 0.024 0.000 0.635 49 A CB -0.419 18.607 19.000 0.043 0.000 0.810 49 A HN 0.343 nan 8.150 nan 0.000 0.445 50 L N -0.641 120.587 121.223 0.008 0.000 2.056 50 L HA -0.132 4.177 4.340 -0.052 0.000 0.207 50 L C 2.513 179.262 176.870 -0.201 0.000 1.078 50 L CA 1.148 55.969 54.840 -0.031 0.000 0.749 50 L CB -1.114 40.966 42.059 0.036 0.000 0.901 50 L HN 0.217 nan 8.230 nan 0.000 0.433 51 V N 0.413 120.253 119.914 -0.123 0.000 2.287 51 V HA -0.305 3.784 4.120 -0.052 0.000 0.248 51 V C 2.720 178.706 176.094 -0.179 0.000 1.053 51 V CA 1.920 64.130 62.300 -0.150 0.000 1.027 51 V CB -0.634 31.152 31.823 -0.061 0.000 0.646 51 V HN 0.428 nan 8.190 nan 0.000 0.447 52 R N -0.117 120.315 120.500 -0.114 0.000 2.092 52 R HA -0.072 4.237 4.340 -0.052 0.000 0.231 52 R C 2.427 178.652 176.300 -0.124 0.000 1.119 52 R CA 1.343 57.389 56.100 -0.090 0.000 0.970 52 R CB -0.611 29.667 30.300 -0.038 0.000 0.864 52 R HN 0.546 nan 8.270 nan 0.000 0.440 53 A N 1.361 124.086 122.820 -0.158 0.000 1.883 53 A HA -0.160 4.128 4.320 -0.052 0.000 0.217 53 A C 2.389 179.755 177.584 -0.362 0.000 1.186 53 A CA 1.797 53.744 52.037 -0.149 0.000 0.624 53 A CB -0.779 18.216 19.000 -0.009 0.000 0.822 53 A HN 0.399 nan 8.150 nan 0.000 0.444 54 A N -0.582 121.722 122.820 -0.860 0.000 1.877 54 A HA -0.187 4.102 4.320 -0.052 0.000 0.216 54 A C 2.164 179.572 177.584 -0.294 0.000 1.186 54 A CA 1.931 53.420 52.037 -0.913 0.000 0.620 54 A CB -0.462 17.987 19.000 -0.918 0.000 0.822 54 A HN 0.480 nan 8.150 nan 0.000 0.443 55 K N -0.754 119.521 120.400 -0.208 0.000 2.211 55 K HA -0.122 4.166 4.320 -0.052 0.000 0.203 55 K C 2.191 178.764 176.600 -0.045 0.000 1.050 55 K CA 0.907 57.139 56.287 -0.091 0.000 0.945 55 K CB -0.121 32.339 32.500 -0.068 0.000 0.732 55 K HN 0.371 nan 8.250 nan 0.000 0.451 56 R N 1.314 121.786 120.500 -0.046 0.000 2.235 56 R HA -0.015 4.294 4.340 -0.052 0.000 0.213 56 R C -0.218 176.096 176.300 0.023 0.000 1.059 56 R CA 0.364 56.461 56.100 -0.005 0.000 0.997 56 R CB -0.062 30.239 30.300 0.002 0.000 0.884 56 R HN -0.080 nan 8.270 nan 0.000 0.462 57 V N 4.612 124.546 119.914 0.034 0.000 2.439 57 V HA 0.139 4.228 4.120 -0.052 0.000 0.271 57 V C -2.091 174.030 176.094 0.044 0.000 1.040 57 V CA -1.399 60.940 62.300 0.065 0.000 1.002 57 V CB 0.937 32.830 31.823 0.118 0.000 1.000 57 V HN 0.169 nan 8.190 nan 0.000 0.477 58 P HA 0.147 nan 4.420 nan 0.000 0.261 58 P C 0.966 178.284 177.300 0.030 0.000 1.183 58 P CA 1.236 64.354 63.100 0.030 0.000 0.761 58 P CB 0.487 32.204 31.700 0.028 0.000 0.785 59 G N 2.242 111.059 108.800 0.028 0.000 2.168 59 G HA2 -0.260 3.669 3.960 -0.052 0.000 0.257 59 G HA3 -0.260 3.669 3.960 -0.052 0.000 0.257 59 G C 0.308 175.226 174.900 0.029 0.000 0.997 59 G CA 0.310 45.427 45.100 0.028 0.000 0.708 59 G HN 0.759 nan 8.290 nan 0.000 0.520 60 S N -1.255 114.464 115.700 0.032 0.000 2.562 60 S HA 0.557 4.996 4.470 -0.052 0.000 0.281 60 S C 0.349 174.969 174.600 0.033 0.000 1.333 60 S CA -0.021 58.198 58.200 0.033 0.000 1.052 60 S CB 2.488 65.706 63.200 0.030 0.000 0.884 60 S HN 1.585 nan 8.310 nan 0.000 0.506 61 V N 3.876 123.805 119.914 0.025 0.000 2.435 61 V HA 0.577 4.666 4.120 -0.052 0.000 0.290 61 V C -0.656 175.457 176.094 0.031 0.000 1.030 61 V CA -0.718 61.605 62.300 0.038 0.000 0.881 61 V CB 1.584 33.406 31.823 -0.002 0.000 0.983 61 V HN 0.877 nan 8.190 nan 0.000 0.445 62 V N 7.360 127.301 119.914 0.045 0.000 2.370 62 V HA 0.437 4.526 4.120 -0.052 0.000 0.279 62 V C -0.105 176.021 176.094 0.054 0.000 1.029 62 V CA -0.463 61.850 62.300 0.022 0.000 0.870 62 V CB 1.533 33.344 31.823 -0.020 0.000 0.984 62 V HN 0.672 nan 8.190 nan 0.000 0.451 63 V N 5.973 125.917 119.914 0.050 0.000 2.370 63 V HA 0.434 4.523 4.120 -0.052 0.000 0.283 63 V C -0.098 176.043 176.094 0.078 0.000 1.023 63 V CA -0.542 61.804 62.300 0.077 0.000 0.857 63 V CB 1.769 33.624 31.823 0.053 0.000 0.985 63 V HN 0.602 nan 8.190 nan 0.000 0.443 64 V N 4.676 124.647 119.914 0.095 0.000 2.384 64 V HA 0.468 4.557 4.120 -0.052 0.000 0.287 64 V C 0.337 176.509 176.094 0.131 0.000 1.020 64 V CA -0.382 61.965 62.300 0.078 0.000 0.850 64 V CB 1.932 33.779 31.823 0.039 0.000 0.987 64 V HN 0.997 nan 8.190 nan 0.000 0.436 65 S N 5.929 121.713 115.700 0.140 0.000 2.541 65 S HA 0.808 5.246 4.470 -0.052 0.000 0.283 65 S C -0.680 173.973 174.600 0.088 0.000 1.196 65 S CA -0.643 57.659 58.200 0.172 0.000 1.062 65 S CB 1.397 64.745 63.200 0.245 0.000 1.009 65 S HN 0.505 nan 8.310 nan 0.000 0.502 66 I N 2.954 123.557 120.570 0.055 0.000 2.439 66 I HA 0.581 4.720 4.170 -0.052 0.000 0.285 66 I C -1.347 174.844 176.117 0.124 0.000 1.021 66 I CA -0.490 60.846 61.300 0.059 0.000 1.091 66 I CB 1.504 39.521 38.000 0.027 0.000 1.242 66 I HN 0.722 nan 8.210 nan 0.000 0.439 67 F N 6.668 126.587 119.950 -0.050 0.000 2.639 67 F HA 0.447 4.942 4.527 -0.053 0.000 0.326 67 F C -1.576 174.224 175.800 -0.000 0.000 1.150 67 F CA -0.669 57.302 58.000 -0.048 0.000 1.057 67 F CB 1.361 40.314 39.000 -0.078 0.000 1.300 67 F HN 0.010 nan 8.300 nan 0.000 0.486 68 V N 5.166 124.752 119.914 -0.547 0.000 2.348 68 V HA 0.269 4.358 4.120 -0.052 0.000 0.270 68 V C -0.315 175.299 176.094 -0.800 0.000 1.037 68 V CA -0.640 61.374 62.300 -0.476 0.000 0.872 68 V CB 1.092 32.724 31.823 -0.318 0.000 1.002 68 V HN 0.654 nan 8.190 nan 0.000 0.464 69 N N 7.461 125.914 118.700 -0.412 0.000 2.437 69 N HA 0.345 5.054 4.740 -0.052 0.000 0.243 69 N C -1.666 173.860 175.510 0.026 0.000 1.041 69 N CA -1.993 50.912 53.050 -0.242 0.000 0.940 69 N CB 1.849 40.420 38.487 0.141 0.000 1.133 69 N HN 0.203 nan 8.380 nan 0.000 0.506 70 P HA -0.150 nan 4.420 nan 0.000 0.219 70 P C 1.400 178.716 177.300 0.027 0.000 1.146 70 P CA 1.042 64.121 63.100 -0.036 0.000 0.808 70 P CB 0.145 31.765 31.700 -0.133 0.000 0.779 71 M N -0.036 119.532 119.600 -0.052 0.000 2.296 71 M HA -0.179 4.270 4.480 -0.052 0.000 0.265 71 M C 1.887 178.186 176.300 -0.001 0.000 1.064 71 M CA 1.673 56.935 55.300 -0.063 0.000 1.109 71 M CB -0.279 32.268 32.600 -0.088 0.000 1.396 71 M HN -0.027 nan 8.290 nan 0.000 0.430 72 Q N -0.967 118.834 119.800 0.001 0.000 2.425 72 Q HA 0.073 4.382 4.340 -0.052 0.000 0.204 72 Q C -0.420 175.515 176.000 -0.107 0.000 0.933 72 Q CA 0.017 55.732 55.803 -0.146 0.000 0.939 72 Q CB -0.139 28.405 28.738 -0.322 0.000 1.044 72 Q HN 0.320 nan 8.270 nan 0.000 0.513 73 F N 1.315 121.270 119.950 0.010 0.000 2.410 73 F HA 0.540 5.036 4.527 -0.050 0.000 0.348 73 F C 0.723 176.523 175.800 0.000 0.000 1.106 73 F CA -0.328 57.678 58.000 0.011 0.000 1.163 73 F CB 1.680 40.664 39.000 -0.027 0.000 1.129 73 F HN 0.025 nan 8.300 nan 0.000 0.516 74 G N 2.430 111.320 108.800 0.151 0.000 3.171 74 G HA2 0.636 4.565 3.960 -0.052 0.000 0.305 74 G HA3 0.636 4.565 3.960 -0.052 0.000 0.305 74 G C -1.197 173.743 174.900 0.067 0.000 1.584 74 G CA -0.269 44.880 45.100 0.081 0.000 1.070 74 G HN 1.155 nan 8.290 nan 0.000 0.535 75 A N 0.865 123.725 122.820 0.066 0.000 2.425 75 A HA 0.521 4.810 4.320 -0.052 0.000 0.683 75 A C 1.183 178.794 177.584 0.045 0.000 0.139 75 A CA 0.449 52.513 52.037 0.045 0.000 0.044 75 A CB -0.877 18.144 19.000 0.036 0.000 3.957 75 A HN 2.765 nan 8.150 nan 0.000 0.546 76 G N 1.383 110.197 108.800 0.024 0.000 2.620 76 G HA2 0.234 4.163 3.960 -0.052 0.000 0.315 76 G HA3 0.234 4.163 3.960 -0.052 0.000 0.315 76 G C 1.696 176.597 174.900 0.002 0.000 1.179 76 G CA 1.852 46.959 45.100 0.012 0.000 0.971 76 G HN 2.858 nan 8.290 nan 0.000 0.544 77 G N -1.063 107.738 108.800 0.002 0.000 4.683 77 G HA2 0.482 4.411 3.960 -0.052 0.000 0.273 77 G HA3 0.482 4.411 3.960 -0.052 0.000 0.273 77 G C 0.464 175.353 174.900 -0.018 0.000 1.065 77 G CA 1.285 46.370 45.100 -0.025 0.000 0.837 77 G HN 0.468 nan 8.290 nan 0.000 0.526 78 D N 0.520 120.949 120.400 0.049 0.000 2.158 78 D HA -0.138 4.471 4.640 -0.052 0.000 0.197 78 D C 2.371 178.579 176.300 -0.153 0.000 0.995 78 D CA 0.620 54.709 54.000 0.148 0.000 0.846 78 D CB 0.257 41.313 40.800 0.427 0.000 0.941 78 D HN 0.353 nan 8.370 nan 0.000 0.456 79 L N 1.047 122.013 121.223 -0.428 0.000 1.961 79 L HA -0.141 4.168 4.340 -0.052 0.000 0.210 79 L C 1.491 178.121 176.870 -0.399 0.000 1.072 79 L CA 1.927 56.290 54.840 -0.796 0.000 0.749 79 L CB -0.817 40.944 42.059 -0.496 0.000 0.889 79 L HN -0.104 nan 8.230 nan 0.000 0.432 80 D N -0.306 119.968 120.400 -0.210 0.000 2.263 80 D HA -0.106 4.503 4.640 -0.052 0.000 0.208 80 D C 1.959 178.214 176.300 -0.075 0.000 0.971 80 D CA 1.282 55.210 54.000 -0.120 0.000 0.867 80 D CB 0.018 40.768 40.800 -0.085 0.000 0.929 80 D HN 0.529 nan 8.370 nan 0.000 0.492 81 A N -0.375 122.411 122.820 -0.057 0.000 2.178 81 A HA -0.067 4.222 4.320 -0.052 0.000 0.211 81 A C 0.712 178.336 177.584 0.068 0.000 1.157 81 A CA -0.192 51.837 52.037 -0.013 0.000 0.780 81 A CB -0.389 18.607 19.000 -0.007 0.000 0.828 81 A HN 0.171 nan 8.150 nan 0.000 0.476 82 Y N 2.490 122.764 120.300 -0.043 0.000 2.544 82 Y HA 0.263 4.782 4.550 -0.052 0.000 0.330 82 Y C -1.993 173.943 175.900 0.061 0.000 1.136 82 Y CA -2.315 55.814 58.100 0.049 0.000 1.417 82 Y CB 0.498 38.939 38.460 -0.031 0.000 1.229 82 Y HN 0.159 nan 8.280 nan 0.000 0.532 83 P HA 0.125 nan 4.420 nan 0.000 0.271 83 P C -1.283 176.002 177.300 -0.025 0.000 1.226 83 P CA 0.148 63.169 63.100 -0.131 0.000 0.765 83 P CB 0.533 32.127 31.700 -0.177 0.000 0.835 84 R N 1.686 122.204 120.500 0.029 0.000 2.371 84 R HA 0.399 4.708 4.340 -0.052 0.000 0.312 84 R C 0.071 176.386 176.300 0.026 0.000 0.980 84 R CA -0.381 55.750 56.100 0.052 0.000 0.867 84 R CB 1.073 31.404 30.300 0.051 0.000 1.163 84 R HN 0.436 nan 8.270 nan 0.000 0.492 85 T N -0.533 114.035 114.554 0.023 0.000 3.427 85 T HA 0.284 4.603 4.350 -0.052 0.000 0.306 85 T C -2.172 172.535 174.700 0.011 0.000 1.733 85 T CA -1.882 60.227 62.100 0.014 0.000 1.599 85 T CB 1.003 69.879 68.868 0.013 0.000 0.964 85 T HN 0.177 nan 8.240 nan 0.000 0.701 86 P HA 0.012 nan 4.420 nan 0.000 0.221 86 P C 1.148 178.451 177.300 0.005 0.000 1.150 86 P CA 0.707 63.813 63.100 0.009 0.000 0.800 86 P CB 0.269 31.976 31.700 0.012 0.000 0.787 87 D N 0.002 120.405 120.400 0.004 0.000 2.077 87 D HA -0.145 4.463 4.640 -0.052 0.000 0.196 87 D C 1.415 177.716 176.300 0.002 0.000 0.986 87 D CA 1.193 55.194 54.000 0.002 0.000 0.829 87 D CB -0.646 40.155 40.800 0.002 0.000 0.983 87 D HN 0.128 nan 8.370 nan 0.000 0.453 88 D N 1.263 121.665 120.400 0.004 0.000 2.116 88 D HA -0.150 4.459 4.640 -0.052 0.000 0.193 88 D C 1.585 177.886 176.300 0.002 0.000 0.998 88 D CA 0.948 54.952 54.000 0.005 0.000 0.836 88 D CB -0.395 40.411 40.800 0.011 0.000 0.951 88 D HN 0.182 nan 8.370 nan 0.000 0.449 89 D N 0.491 120.890 120.400 -0.003 0.000 2.106 89 D HA -0.135 4.474 4.640 -0.052 0.000 0.191 89 D C 2.399 178.694 176.300 -0.008 0.000 0.997 89 D CA 0.600 54.592 54.000 -0.013 0.000 0.834 89 D CB -0.517 40.271 40.800 -0.021 0.000 0.956 89 D HN 0.260 nan 8.370 nan 0.000 0.448 90 L N 0.519 121.740 121.223 -0.004 0.000 2.131 90 L HA -0.107 4.202 4.340 -0.052 0.000 0.210 90 L C 2.552 179.419 176.870 -0.004 0.000 1.092 90 L CA 0.967 55.805 54.840 -0.004 0.000 0.759 90 L CB -0.480 41.576 42.059 -0.005 0.000 0.903 90 L HN -0.027 nan 8.230 nan 0.000 0.435 91 A N -0.057 122.760 122.820 -0.003 0.000 1.902 91 A HA -0.233 4.055 4.320 -0.052 0.000 0.217 91 A C 2.269 179.853 177.584 0.000 0.000 1.181 91 A CA 1.480 53.515 52.037 -0.003 0.000 0.623 91 A CB -0.442 18.557 19.000 -0.001 0.000 0.818 91 A HN 0.480 nan 8.150 nan 0.000 0.443 92 Q N -0.265 119.537 119.800 0.003 0.000 2.084 92 Q HA -0.126 4.183 4.340 -0.052 0.000 0.202 92 Q C 2.102 178.104 176.000 0.004 0.000 0.978 92 Q CA 1.496 57.303 55.803 0.007 0.000 0.844 92 Q CB -0.425 28.321 28.738 0.012 0.000 0.898 92 Q HN 0.685 nan 8.270 nan 0.000 0.426 93 L N 0.229 121.453 121.223 0.001 0.000 2.046 93 L HA -0.194 4.115 4.340 -0.052 0.000 0.208 93 L C 2.604 179.475 176.870 0.002 0.000 1.077 93 L CA 1.189 56.031 54.840 0.002 0.000 0.747 93 L CB -0.490 41.573 42.059 0.006 0.000 0.896 93 L HN 0.196 nan 8.230 nan 0.000 0.432 94 R N 0.126 120.625 120.500 -0.002 0.000 2.080 94 R HA -0.175 4.134 4.340 -0.052 0.000 0.236 94 R C 2.463 178.760 176.300 -0.005 0.000 1.137 94 R CA 1.524 57.620 56.100 -0.006 0.000 0.943 94 R CB -0.572 29.721 30.300 -0.012 0.000 0.846 94 R HN 0.371 nan 8.270 nan 0.000 0.431 95 A N 1.321 124.140 122.820 -0.003 0.000 1.948 95 A HA -0.179 4.110 4.320 -0.052 0.000 0.220 95 A C 1.721 179.305 177.584 0.000 0.000 1.177 95 A CA 1.481 53.517 52.037 -0.001 0.000 0.636 95 A CB -0.244 18.758 19.000 0.003 0.000 0.815 95 A HN 0.212 nan 8.150 nan 0.000 0.449 96 E N -1.154 119.046 120.200 0.000 0.000 2.482 96 E HA 0.137 4.456 4.350 -0.052 0.000 0.196 96 E C 1.248 177.847 176.600 -0.002 0.000 1.047 96 E CA 0.656 57.054 56.400 -0.002 0.000 0.869 96 E CB -0.495 29.202 29.700 -0.004 0.000 0.836 96 E HN 0.827 nan 8.360 nan 0.000 0.520 97 G N 1.345 110.145 108.800 0.000 0.000 2.221 97 G HA2 -0.286 3.643 3.960 -0.052 0.000 0.265 97 G HA3 -0.286 3.643 3.960 -0.052 0.000 0.265 97 G C 0.377 175.285 174.900 0.014 0.000 1.041 97 G CA 0.413 45.516 45.100 0.004 0.000 0.807 97 G HN 0.184 nan 8.290 nan 0.000 0.502 98 V N -0.178 119.746 119.914 0.015 0.000 2.637 98 V HA 0.223 4.312 4.120 -0.052 0.000 0.296 98 V C 1.395 177.523 176.094 0.058 0.000 1.046 98 V CA 0.834 63.154 62.300 0.033 0.000 1.066 98 V CB 1.475 33.312 31.823 0.024 0.000 0.968 98 V HN 0.543 nan 8.190 nan 0.000 0.483 99 E N 3.749 124.016 120.200 0.111 0.000 2.415 99 E HA 0.310 4.629 4.350 -0.052 0.000 0.197 99 E C -0.243 176.507 176.600 0.249 0.000 1.007 99 E CA 0.364 56.866 56.400 0.171 0.000 0.890 99 E CB 0.531 30.417 29.700 0.311 0.000 0.891 99 E HN 0.594 nan 8.360 nan 0.000 0.496 100 I N 0.834 121.533 120.570 0.215 0.000 2.512 100 I HA 0.387 4.526 4.170 -0.052 0.000 0.287 100 I C -0.992 175.228 176.117 0.172 0.000 1.069 100 I CA -0.927 60.518 61.300 0.241 0.000 1.056 100 I CB 2.024 40.207 38.000 0.305 0.000 1.229 100 I HN -0.140 nan 8.210 nan 0.000 0.429 101 A N 6.030 128.939 122.820 0.149 0.000 2.304 101 A HA 0.738 5.027 4.320 -0.052 0.000 0.323 101 A C -1.280 176.468 177.584 0.273 0.000 1.195 101 A CA -0.315 51.816 52.037 0.155 0.000 0.826 101 A CB 0.917 19.964 19.000 0.077 0.000 1.184 101 A HN 0.536 nan 8.150 nan 0.000 0.496 102 F N 3.419 123.426 119.950 0.096 0.000 2.402 102 F HA 0.562 5.057 4.527 -0.053 0.000 0.355 102 F C 0.348 176.195 175.800 0.078 0.000 1.123 102 F CA -0.790 57.273 58.000 0.105 0.000 1.021 102 F CB 1.813 40.859 39.000 0.076 0.000 1.160 102 F HN 0.462 nan 8.300 nan 0.000 0.451 103 T N 5.348 119.816 114.554 -0.143 0.000 3.401 103 T HA 0.430 4.749 4.350 -0.052 0.000 0.341 103 T C -2.962 171.577 174.700 -0.268 0.000 1.674 103 T CA -1.722 60.268 62.100 -0.184 0.000 1.600 103 T CB 0.413 69.270 68.868 -0.018 0.000 0.974 103 T HN 0.364 nan 8.240 nan 0.000 0.672 104 P HA 0.239 nan 4.420 nan 0.000 0.274 104 P C 0.475 177.705 177.300 -0.117 0.000 1.237 104 P CA -0.035 62.793 63.100 -0.453 0.000 0.793 104 P CB 0.843 32.040 31.700 -0.839 0.000 0.977 105 T N -2.029 112.509 114.554 -0.027 0.000 2.849 105 T HA 0.131 4.449 4.350 -0.052 0.000 0.284 105 T C 1.412 176.236 174.700 0.208 0.000 1.004 105 T CA -0.153 62.011 62.100 0.106 0.000 1.021 105 T CB -0.376 68.535 68.868 0.072 0.000 1.013 105 T HN 0.314 nan 8.240 nan 0.000 0.527 106 T N 1.554 116.310 114.554 0.337 0.000 2.720 106 T HA -0.086 4.233 4.350 -0.052 0.000 0.268 106 T C 2.380 177.246 174.700 0.276 0.000 1.037 106 T CA 1.552 63.905 62.100 0.423 0.000 1.144 106 T CB -0.862 68.173 68.868 0.278 0.000 0.864 106 T HN 0.818 nan 8.240 nan 0.000 0.444 107 A N 1.217 124.135 122.820 0.162 0.000 1.933 107 A HA 0.167 4.456 4.320 -0.052 0.000 0.218 107 A C 2.581 180.205 177.584 0.066 0.000 1.175 107 A CA 1.786 53.891 52.037 0.112 0.000 0.628 107 A CB -0.916 18.130 19.000 0.077 0.000 0.814 107 A HN 0.519 nan 8.150 nan 0.000 0.444 108 A N -1.268 121.569 122.820 0.028 0.000 1.968 108 A HA 0.033 4.322 4.320 -0.052 0.000 0.217 108 A C 2.104 179.622 177.584 -0.110 0.000 1.169 108 A CA 1.593 53.614 52.037 -0.027 0.000 0.638 108 A CB -0.338 18.646 19.000 -0.026 0.000 0.812 108 A HN 0.415 nan 8.150 nan 0.000 0.446 109 M N -1.923 117.555 119.600 -0.204 0.000 2.334 109 M HA 0.083 4.532 4.480 -0.052 0.000 0.266 109 M C -0.049 175.896 176.300 -0.592 0.000 1.082 109 M CA 1.112 56.123 55.300 -0.482 0.000 1.141 109 M CB -0.709 31.404 32.600 -0.813 0.000 1.380 109 M HN 0.454 nan 8.290 nan 0.000 0.440 110 Y N 0.133 120.462 120.300 0.047 0.000 2.480 110 Y HA 0.286 4.804 4.550 -0.052 0.000 0.356 110 Y C -1.480 174.447 175.900 0.046 0.000 0.922 110 Y CA -2.157 55.979 58.100 0.061 0.000 1.146 110 Y CB -0.325 38.193 38.460 0.098 0.000 1.185 110 Y HN 0.128 nan 8.280 nan 0.000 0.624 111 P HA -0.086 nan 4.420 nan 0.000 0.223 111 P C 0.223 177.572 177.300 0.082 0.000 1.151 111 P CA 1.436 64.582 63.100 0.078 0.000 0.787 111 P CB 0.634 32.355 31.700 0.036 0.000 0.788 112 D N -0.648 119.811 120.400 0.099 0.000 2.538 112 D HA 0.225 4.834 4.640 -0.052 0.000 0.231 112 D C 1.236 177.597 176.300 0.101 0.000 1.229 112 D CA 0.328 54.378 54.000 0.082 0.000 0.828 112 D CB 1.030 41.867 40.800 0.062 0.000 1.035 112 D HN 0.085 nan 8.370 nan 0.000 0.495 113 G N 1.573 110.457 108.800 0.139 0.000 2.552 113 G HA2 -0.301 3.627 3.960 -0.052 0.000 0.265 113 G HA3 -0.301 3.627 3.960 -0.052 0.000 0.265 113 G C -0.150 174.836 174.900 0.144 0.000 1.234 113 G CA -0.555 44.614 45.100 0.114 0.000 0.944 113 G HN 0.284 nan 8.290 nan 0.000 0.568 114 L N 1.582 122.844 121.223 0.065 0.000 2.282 114 L HA 0.496 4.805 4.340 -0.052 0.000 0.287 114 L C 1.458 178.372 176.870 0.073 0.000 1.075 114 L CA -0.263 54.622 54.840 0.074 0.000 0.839 114 L CB 1.073 43.140 42.059 0.013 0.000 1.219 114 L HN 0.730 nan 8.230 nan 0.000 0.434 115 R N 1.203 121.759 120.500 0.093 0.000 1.792 115 R HA 0.283 4.591 4.340 -0.052 0.000 0.139 115 R C 0.061 176.396 176.300 0.058 0.000 2.091 115 R CA -0.175 55.964 56.100 0.064 0.000 1.697 115 R CB 0.379 30.713 30.300 0.057 0.000 1.340 115 R HN 0.426 nan 8.270 nan 0.000 0.481 116 T N 1.820 116.407 114.554 0.054 0.000 2.851 116 T HA 0.244 4.563 4.350 -0.052 0.000 0.298 116 T C -0.088 174.653 174.700 0.069 0.000 0.977 116 T CA -0.067 62.059 62.100 0.044 0.000 1.126 116 T CB 1.177 70.056 68.868 0.019 0.000 0.916 116 T HN 0.575 nan 8.240 nan 0.000 0.529 117 T N -1.015 113.581 114.554 0.071 0.000 2.865 117 T HA 0.645 4.964 4.350 -0.052 0.000 0.294 117 T C -0.542 174.222 174.700 0.107 0.000 1.119 117 T CA -0.878 61.280 62.100 0.096 0.000 1.007 117 T CB 1.013 69.937 68.868 0.093 0.000 1.225 117 T HN 0.270 nan 8.240 nan 0.000 0.515 118 V N 1.853 121.847 119.914 0.134 0.000 2.465 118 V HA 0.498 4.587 4.120 -0.052 0.000 0.279 118 V C -0.017 176.152 176.094 0.125 0.000 1.045 118 V CA -0.479 61.929 62.300 0.180 0.000 0.938 118 V CB 1.166 33.117 31.823 0.213 0.000 0.986 118 V HN 0.978 nan 8.190 nan 0.000 0.467 119 Q N 6.719 126.595 119.800 0.127 0.000 2.398 119 Q HA 0.454 4.763 4.340 -0.052 0.000 0.251 119 Q C -2.450 173.575 176.000 0.041 0.000 0.999 119 Q CA -1.326 54.523 55.803 0.077 0.000 0.874 119 Q CB 1.273 30.054 28.738 0.072 0.000 1.215 119 Q HN 0.546 nan 8.270 nan 0.000 0.470 120 P HA 0.228 nan 4.420 nan 0.000 0.273 120 P C 0.002 177.276 177.300 -0.044 0.000 1.250 120 P CA -0.356 62.720 63.100 -0.040 0.000 0.793 120 P CB 0.531 32.216 31.700 -0.025 0.000 1.011 121 G N 0.530 109.279 108.800 -0.086 0.000 2.631 121 G HA2 0.176 4.105 3.960 -0.052 0.000 0.271 121 G HA3 0.176 4.105 3.960 -0.052 0.000 0.271 121 G C -1.594 173.273 174.900 -0.054 0.000 1.302 121 G CA -0.740 44.318 45.100 -0.070 0.000 1.002 121 G HN 0.325 nan 8.290 nan 0.000 0.519 122 P HA -0.080 nan 4.420 nan 0.000 0.222 122 P C 1.974 179.249 177.300 -0.043 0.000 1.147 122 P CA 0.096 63.177 63.100 -0.032 0.000 0.790 122 P CB 0.079 31.762 31.700 -0.029 0.000 0.780 123 L N 0.122 121.298 121.223 -0.078 0.000 2.187 123 L HA -0.108 4.201 4.340 -0.052 0.000 0.213 123 L C 2.051 178.862 176.870 -0.098 0.000 1.100 123 L CA 1.902 56.678 54.840 -0.107 0.000 0.765 123 L CB -1.429 40.533 42.059 -0.162 0.000 0.904 123 L HN -0.078 nan 8.230 nan 0.000 0.437 124 A N -0.918 121.861 122.820 -0.068 0.000 2.168 124 A HA 0.199 4.487 4.320 -0.052 0.000 0.215 124 A C 2.233 179.923 177.584 0.177 0.000 1.152 124 A CA 1.036 53.114 52.037 0.069 0.000 0.716 124 A CB -0.800 18.267 19.000 0.110 0.000 0.794 124 A HN 0.545 nan 8.150 nan 0.000 0.465 125 A N -0.746 122.121 122.820 0.078 0.000 2.218 125 A HA 0.291 4.580 4.320 -0.052 0.000 0.209 125 A C 0.700 178.317 177.584 0.055 0.000 1.168 125 A CA 0.109 52.188 52.037 0.070 0.000 0.804 125 A CB 0.053 19.075 19.000 0.036 0.000 0.834 125 A HN 0.558 nan 8.150 nan 0.000 0.482 126 E N -1.298 118.926 120.200 0.040 0.000 2.264 126 E HA 0.625 4.944 4.350 -0.052 0.000 0.260 126 E C 0.256 176.848 176.600 -0.013 0.000 0.961 126 E CA -0.703 55.690 56.400 -0.012 0.000 0.834 126 E CB 1.183 30.850 29.700 -0.054 0.000 1.230 126 E HN 0.200 nan 8.360 nan 0.000 0.412 127 L N -0.090 121.044 121.223 -0.149 0.000 5.531 127 L HA -0.439 3.870 4.340 -0.052 0.000 0.053 127 L C 1.713 178.607 176.870 0.041 0.000 2.831 127 L CA 1.319 55.957 54.840 -0.337 0.000 1.552 127 L CB -1.074 40.753 42.059 -0.387 0.000 2.889 127 L HN 0.643 nan 8.230 nan 0.000 0.964 128 E N 0.542 120.880 120.200 0.229 0.000 2.209 128 E HA -0.135 4.184 4.350 -0.052 0.000 0.196 128 E C 1.872 178.562 176.600 0.150 0.000 0.993 128 E CA 1.501 58.051 56.400 0.250 0.000 0.819 128 E CB -0.389 29.467 29.700 0.260 0.000 0.745 128 E HN 0.757 nan 8.360 nan 0.000 0.477 129 G N 0.558 109.509 108.800 0.251 0.000 2.572 129 G HA2 -0.067 3.862 3.960 -0.052 0.000 0.216 129 G HA3 -0.067 3.862 3.960 -0.052 0.000 0.216 129 G C 1.558 176.521 174.900 0.105 0.000 1.133 129 G CA 0.598 45.819 45.100 0.202 0.000 0.791 129 G HN 0.364 nan 8.290 nan 0.000 0.538 130 G N 2.126 110.977 108.800 0.085 0.000 2.545 130 G HA2 -0.182 3.747 3.960 -0.052 0.000 0.217 130 G HA3 -0.182 3.747 3.960 -0.052 0.000 0.217 130 G C 0.440 175.369 174.900 0.049 0.000 1.218 130 G CA 1.318 46.453 45.100 0.057 0.000 0.787 130 G HN 0.491 nan 8.290 nan 0.000 0.571 131 P HA 0.141 nan 4.420 nan 0.000 0.249 131 P C 0.188 177.498 177.300 0.016 0.000 1.229 131 P CA 0.348 63.467 63.100 0.031 0.000 0.788 131 P CB 0.442 32.160 31.700 0.031 0.000 1.072 132 R N 0.798 121.306 120.500 0.013 0.000 2.653 132 R HA 0.221 4.530 4.340 -0.052 0.000 0.269 132 R C -2.022 174.297 176.300 0.032 0.000 1.603 132 R CA -1.237 54.862 56.100 -0.001 0.000 1.671 132 R CB 1.000 31.256 30.300 -0.075 0.000 1.300 132 R HN 0.041 nan 8.270 nan 0.000 0.668 133 P HA -0.119 nan 4.420 nan 0.000 0.230 133 P C 0.999 178.335 177.300 0.061 0.000 1.158 133 P CA 1.295 64.430 63.100 0.058 0.000 0.769 133 P CB 0.306 32.032 31.700 0.043 0.000 0.807 134 T N -6.032 108.549 114.554 0.045 0.000 3.054 134 T HA 0.062 4.381 4.350 -0.052 0.000 0.255 134 T C 1.629 176.332 174.700 0.006 0.000 1.035 134 T CA 0.005 62.125 62.100 0.034 0.000 0.941 134 T CB -0.928 67.954 68.868 0.024 0.000 1.026 134 T HN 0.022 nan 8.240 nan 0.000 0.533 135 H N 1.147 120.140 119.070 -0.129 0.000 2.290 135 H HA 0.005 4.530 4.556 -0.052 0.000 0.298 135 H C 1.244 176.406 175.328 -0.276 0.000 1.087 135 H CA 1.813 57.690 56.048 -0.285 0.000 1.291 135 H CB -0.575 28.888 29.762 -0.498 0.000 1.369 135 H HN 0.403 nan 8.280 nan 0.000 0.492 136 F N 0.138 119.991 119.950 -0.163 0.000 2.367 136 F HA 0.133 4.630 4.527 -0.049 0.000 0.298 136 F C 2.689 178.395 175.800 -0.156 0.000 1.094 136 F CA 0.794 58.656 58.000 -0.230 0.000 1.409 136 F CB -0.841 38.101 39.000 -0.098 0.000 1.064 136 F HN 0.352 nan 8.300 nan 0.000 0.528 137 A N 0.450 123.311 122.820 0.068 0.000 1.908 137 A HA -0.126 4.163 4.320 -0.052 0.000 0.218 137 A C 2.627 180.227 177.584 0.027 0.000 1.181 137 A CA 1.942 54.009 52.037 0.050 0.000 0.627 137 A CB -1.562 17.468 19.000 0.050 0.000 0.818 137 A HN 0.394 nan 8.150 nan 0.000 0.445 138 G N -0.578 108.201 108.800 -0.036 0.000 2.446 138 G HA2 -0.147 3.781 3.960 -0.052 0.000 0.217 138 G HA3 -0.147 3.781 3.960 -0.052 0.000 0.217 138 G C 1.535 176.432 174.900 -0.004 0.000 1.168 138 G CA 1.378 46.463 45.100 -0.025 0.000 0.771 138 G HN 0.341 nan 8.290 nan 0.000 0.551 139 V N 1.135 120.981 119.914 -0.113 0.000 2.261 139 V HA -0.117 3.972 4.120 -0.052 0.000 0.246 139 V C 2.901 179.028 176.094 0.055 0.000 1.047 139 V CA 1.504 63.779 62.300 -0.041 0.000 1.015 139 V CB -0.502 31.273 31.823 -0.078 0.000 0.642 139 V HN 0.329 nan 8.190 nan 0.000 0.446 140 L N -0.417 120.834 121.223 0.048 0.000 2.141 140 L HA -0.139 4.170 4.340 -0.052 0.000 0.209 140 L C 2.570 179.499 176.870 0.097 0.000 1.094 140 L CA 1.715 56.583 54.840 0.046 0.000 0.763 140 L CB -1.174 40.889 42.059 0.007 0.000 0.908 140 L HN 0.389 nan 8.230 nan 0.000 0.437 141 T N -0.369 114.254 114.554 0.116 0.000 2.737 141 T HA -0.169 4.150 4.350 -0.052 0.000 0.265 141 T C 1.956 176.748 174.700 0.154 0.000 1.038 141 T CA 1.341 63.530 62.100 0.148 0.000 1.144 141 T CB -0.203 68.770 68.868 0.175 0.000 0.866 141 T HN 0.108 nan 8.240 nan 0.000 0.434 142 V N 1.228 121.254 119.914 0.187 0.000 2.427 142 V HA -0.119 3.970 4.120 -0.052 0.000 0.248 142 V C 2.477 178.666 176.094 0.158 0.000 1.051 142 V CA 1.428 63.845 62.300 0.194 0.000 1.048 142 V CB -0.387 31.621 31.823 0.308 0.000 0.666 142 V HN 0.327 nan 8.190 nan 0.000 0.456 143 V N -0.129 119.887 119.914 0.171 0.000 2.358 143 V HA -0.202 3.887 4.120 -0.052 0.000 0.246 143 V C 2.421 178.604 176.094 0.148 0.000 1.047 143 V CA 2.032 64.448 62.300 0.193 0.000 1.035 143 V CB -0.620 31.339 31.823 0.226 0.000 0.658 143 V HN 0.581 nan 8.190 nan 0.000 0.452 144 L N 0.328 121.628 121.223 0.128 0.000 2.012 144 L HA -0.206 4.103 4.340 -0.052 0.000 0.210 144 L C 2.376 179.295 176.870 0.081 0.000 1.073 144 L CA 2.042 56.955 54.840 0.121 0.000 0.748 144 L CB -0.723 41.429 42.059 0.156 0.000 0.891 144 L HN 0.231 nan 8.230 nan 0.000 0.431 145 K N -0.823 119.614 120.400 0.062 0.000 2.026 145 K HA -0.140 4.149 4.320 -0.052 0.000 0.208 145 K C 2.076 178.692 176.600 0.027 0.000 1.048 145 K CA 1.741 58.036 56.287 0.014 0.000 0.929 145 K CB -0.364 32.110 32.500 -0.043 0.000 0.713 145 K HN 0.317 nan 8.250 nan 0.000 0.439 146 L N 0.906 122.170 121.223 0.068 0.000 2.079 146 L HA -0.209 4.100 4.340 -0.052 0.000 0.210 146 L C 2.288 179.191 176.870 0.056 0.000 1.081 146 L CA 1.092 55.992 54.840 0.100 0.000 0.752 146 L CB -0.446 41.705 42.059 0.153 0.000 0.896 146 L HN 0.193 nan 8.230 nan 0.000 0.433 147 L N -0.882 120.380 121.223 0.066 0.000 2.131 147 L HA -0.195 4.114 4.340 -0.052 0.000 0.210 147 L C 2.766 179.641 176.870 0.008 0.000 1.092 147 L CA 0.895 55.764 54.840 0.048 0.000 0.759 147 L CB -0.402 41.702 42.059 0.073 0.000 0.903 147 L HN 0.366 nan 8.230 nan 0.000 0.435 148 Q N -0.369 119.432 119.800 0.002 0.000 2.187 148 Q HA -0.025 4.284 4.340 -0.052 0.000 0.199 148 Q C 2.279 178.243 176.000 -0.060 0.000 0.957 148 Q CA 1.199 56.987 55.803 -0.025 0.000 0.857 148 Q CB 0.060 28.785 28.738 -0.022 0.000 0.929 148 Q HN 0.551 nan 8.270 nan 0.000 0.453 149 I N -0.175 120.350 120.570 -0.075 0.000 2.193 149 I HA -0.198 3.940 4.170 -0.052 0.000 0.240 149 I C 2.122 178.121 176.117 -0.197 0.000 1.084 149 I CA 0.899 62.111 61.300 -0.145 0.000 1.365 149 I CB -0.105 37.794 38.000 -0.168 0.000 1.064 149 I HN -0.058 nan 8.210 nan 0.000 0.410 150 V N -0.592 119.219 119.914 -0.171 0.000 2.649 150 V HA 0.022 4.111 4.120 -0.052 0.000 0.248 150 V C 0.869 176.894 176.094 -0.115 0.000 1.054 150 V CA 0.289 62.482 62.300 -0.178 0.000 1.073 150 V CB -0.572 31.171 31.823 -0.135 0.000 0.699 150 V HN 0.406 nan 8.190 nan 0.000 0.463 151 R N -0.338 120.117 120.500 -0.075 0.000 3.188 151 R HA -0.138 4.171 4.340 -0.052 0.000 0.247 151 R C -2.387 173.890 176.300 -0.038 0.000 0.918 151 R CA 0.494 56.564 56.100 -0.051 0.000 0.629 151 R CB -2.134 28.128 30.300 -0.063 0.000 1.087 151 R HN 0.438 nan 8.270 nan 0.000 0.462 152 P HA 0.138 nan 4.420 nan 0.000 0.276 152 P C 0.380 177.682 177.300 0.004 0.000 1.252 152 P CA -0.382 62.719 63.100 0.002 0.000 0.802 152 P CB 0.727 32.447 31.700 0.034 0.000 1.035 153 D N 0.314 120.722 120.400 0.013 0.000 2.162 153 D HA -0.015 4.594 4.640 -0.052 0.000 0.203 153 D C 0.546 176.845 176.300 -0.002 0.000 0.967 153 D CA 1.305 55.309 54.000 0.007 0.000 0.840 153 D CB 0.430 41.240 40.800 0.016 0.000 0.972 153 D HN 0.391 nan 8.370 nan 0.000 0.482 154 R N -0.041 120.467 120.500 0.013 0.000 2.725 154 R HA 0.582 4.891 4.340 -0.052 0.000 0.277 154 R C -1.248 175.006 176.300 -0.077 0.000 0.987 154 R CA -0.630 55.418 56.100 -0.087 0.000 0.901 154 R CB 3.258 33.469 30.300 -0.148 0.000 1.207 154 R HN -0.170 nan 8.270 nan 0.000 0.463 155 V N 3.314 123.103 119.914 -0.209 0.000 2.604 155 V HA 0.606 4.695 4.120 -0.052 0.000 0.305 155 V C -1.559 174.357 176.094 -0.297 0.000 1.043 155 V CA -0.675 61.575 62.300 -0.084 0.000 0.888 155 V CB 1.605 33.474 31.823 0.076 0.000 0.995 155 V HN 0.570 nan 8.190 nan 0.000 0.429 156 F N 6.445 126.311 119.950 -0.139 0.000 2.458 156 F HA 0.729 5.267 4.527 0.018 0.000 0.336 156 F C -0.388 175.201 175.800 -0.353 0.000 1.114 156 F CA -0.511 57.418 58.000 -0.118 0.000 0.987 156 F CB 1.618 40.571 39.000 -0.079 0.000 1.130 156 F HN 0.332 nan 8.300 nan 0.000 0.458 157 F N 0.498 120.540 119.950 0.153 0.000 2.576 157 F HA 0.664 5.148 4.527 -0.072 0.000 0.313 157 F C 0.531 176.403 175.800 0.119 0.000 1.078 157 F CA -1.223 56.850 58.000 0.121 0.000 0.921 157 F CB 1.948 40.980 39.000 0.054 0.000 1.232 157 F HN 0.527 nan 8.300 nan 0.000 0.459 158 G N 0.757 109.736 108.800 0.299 0.000 2.476 158 G HA2 0.286 4.215 3.960 -0.052 0.000 0.269 158 G HA3 0.286 4.215 3.960 -0.052 0.000 0.269 158 G C 0.268 175.295 174.900 0.211 0.000 1.195 158 G CA -0.371 44.855 45.100 0.211 0.000 0.843 158 G HN 0.824 nan 8.290 nan 0.000 0.545 159 E N 0.459 120.776 120.200 0.195 0.000 2.418 159 E HA -0.095 4.224 4.350 -0.052 0.000 0.197 159 E C 2.065 178.812 176.600 0.245 0.000 1.026 159 E CA 0.402 56.955 56.400 0.254 0.000 0.862 159 E CB 0.213 30.064 29.700 0.252 0.000 0.799 159 E HN 0.655 nan 8.360 nan 0.000 0.518 160 K N 1.316 121.822 120.400 0.176 0.000 2.032 160 K HA -0.136 4.153 4.320 -0.052 0.000 0.209 160 K C 0.343 177.052 176.600 0.182 0.000 1.048 160 K CA 1.245 57.620 56.287 0.147 0.000 0.927 160 K CB 0.201 32.768 32.500 0.110 0.000 0.712 160 K HN -0.041 nan 8.250 nan 0.000 0.441 161 D N 0.689 121.211 120.400 0.203 0.000 2.631 161 D HA -0.025 4.584 4.640 -0.052 0.000 0.227 161 D C 0.033 176.454 176.300 0.202 0.000 1.146 161 D CA -0.070 54.062 54.000 0.220 0.000 1.009 161 D CB 0.385 41.326 40.800 0.234 0.000 1.057 161 D HN 0.262 nan 8.370 nan 0.000 0.509 162 Y N 1.769 122.123 120.300 0.090 0.000 2.181 162 Y HA -0.243 4.277 4.550 -0.049 0.000 0.288 162 Y C 2.493 178.387 175.900 -0.011 0.000 1.146 162 Y CA 1.775 59.900 58.100 0.041 0.000 1.164 162 Y CB 0.260 38.743 38.460 0.038 0.000 0.982 162 Y HN 0.197 nan 8.280 nan 0.000 0.515 163 Q N -0.058 119.800 119.800 0.096 0.000 2.124 163 Q HA -0.310 3.999 4.340 -0.052 0.000 0.202 163 Q C 2.382 178.192 176.000 -0.317 0.000 0.977 163 Q CA 1.945 57.685 55.803 -0.104 0.000 0.850 163 Q CB -0.207 28.525 28.738 -0.009 0.000 0.901 163 Q HN 0.685 nan 8.270 nan 0.000 0.429 164 Q N -0.028 119.706 119.800 -0.110 0.000 2.061 164 Q HA -0.216 4.093 4.340 -0.052 0.000 0.204 164 Q C 2.141 177.942 176.000 -0.332 0.000 0.984 164 Q CA 1.542 57.270 55.803 -0.125 0.000 0.846 164 Q CB -0.204 28.631 28.738 0.161 0.000 0.902 164 Q HN 0.431 nan 8.270 nan 0.000 0.421 165 L N 0.188 121.232 121.223 -0.299 0.000 2.012 165 L HA -0.162 4.147 4.340 -0.052 0.000 0.210 165 L C 2.185 178.799 176.870 -0.427 0.000 1.073 165 L CA 1.607 56.221 54.840 -0.375 0.000 0.748 165 L CB -0.756 41.144 42.059 -0.266 0.000 0.891 165 L HN 0.160 nan 8.230 nan 0.000 0.431 166 V N -0.285 119.341 119.914 -0.480 0.000 2.255 166 V HA -0.326 3.763 4.120 -0.052 0.000 0.247 166 V C 2.631 178.509 176.094 -0.361 0.000 1.051 166 V CA 2.154 64.201 62.300 -0.421 0.000 1.018 166 V CB -0.630 30.946 31.823 -0.412 0.000 0.641 166 V HN 0.463 nan 8.190 nan 0.000 0.445 167 L N -0.636 120.341 121.223 -0.410 0.000 2.079 167 L HA -0.190 4.119 4.340 -0.052 0.000 0.210 167 L C 2.425 179.086 176.870 -0.348 0.000 1.081 167 L CA 1.193 55.795 54.840 -0.395 0.000 0.752 167 L CB -0.482 41.263 42.059 -0.524 0.000 0.896 167 L HN 0.282 nan 8.230 nan 0.000 0.433 168 I N -0.312 120.020 120.570 -0.397 0.000 2.315 168 I HA -0.234 3.905 4.170 -0.052 0.000 0.248 168 I C 2.655 178.600 176.117 -0.286 0.000 1.117 168 I CA 1.391 62.457 61.300 -0.389 0.000 1.404 168 I CB -1.034 36.565 38.000 -0.669 0.000 1.071 168 I HN 0.311 nan 8.210 nan 0.000 0.419 169 R N 0.483 120.818 120.500 -0.275 0.000 2.091 169 R HA -0.196 4.113 4.340 -0.052 0.000 0.238 169 R C 2.211 178.394 176.300 -0.195 0.000 1.136 169 R CA 1.293 57.270 56.100 -0.204 0.000 0.959 169 R CB -0.323 29.860 30.300 -0.194 0.000 0.856 169 R HN 0.542 nan 8.270 nan 0.000 0.437 170 Q N 0.458 120.121 119.800 -0.227 0.000 2.084 170 Q HA -0.164 4.145 4.340 -0.052 0.000 0.202 170 Q C 2.237 178.068 176.000 -0.283 0.000 0.978 170 Q CA 1.179 56.845 55.803 -0.228 0.000 0.844 170 Q CB -0.201 28.396 28.738 -0.235 0.000 0.898 170 Q HN 0.201 nan 8.270 nan 0.000 0.426 171 L N 0.226 121.260 121.223 -0.314 0.000 1.989 171 L HA -0.185 4.124 4.340 -0.052 0.000 0.211 171 L C 2.143 178.835 176.870 -0.296 0.000 1.071 171 L CA 1.552 56.148 54.840 -0.407 0.000 0.749 171 L CB -0.535 41.357 42.059 -0.278 0.000 0.890 171 L HN -0.021 nan 8.230 nan 0.000 0.431 172 V N 0.167 119.982 119.914 -0.166 0.000 2.295 172 V HA -0.297 3.792 4.120 -0.052 0.000 0.246 172 V C 2.808 178.863 176.094 -0.066 0.000 1.049 172 V CA 1.735 63.989 62.300 -0.076 0.000 1.024 172 V CB -1.292 30.493 31.823 -0.063 0.000 0.648 172 V HN 0.657 nan 8.190 nan 0.000 0.447 173 A N 0.009 122.767 122.820 -0.102 0.000 1.858 173 A HA -0.238 4.051 4.320 -0.052 0.000 0.216 173 A C 1.965 179.509 177.584 -0.066 0.000 1.190 173 A CA 2.075 54.065 52.037 -0.078 0.000 0.617 173 A CB -0.651 18.294 19.000 -0.091 0.000 0.827 173 A HN 0.548 nan 8.150 nan 0.000 0.443 174 D N -1.077 119.237 120.400 -0.142 0.000 2.224 174 D HA -0.035 4.574 4.640 -0.052 0.000 0.205 174 D C 0.739 177.091 176.300 0.086 0.000 0.965 174 D CA 0.850 54.776 54.000 -0.123 0.000 0.852 174 D CB -0.220 40.401 40.800 -0.299 0.000 0.947 174 D HN 0.429 nan 8.370 nan 0.000 0.494 175 F N 0.114 120.047 119.950 -0.029 0.000 2.641 175 F HA 0.184 4.680 4.527 -0.051 0.000 0.302 175 F C 0.171 175.958 175.800 -0.022 0.000 1.098 175 F CA -0.947 57.039 58.000 -0.022 0.000 1.318 175 F CB -1.178 37.811 39.000 -0.020 0.000 1.035 175 F HN -0.187 nan 8.300 nan 0.000 0.551 176 N N 0.488 119.271 118.700 0.139 0.000 2.740 176 N HA -0.221 4.488 4.740 -0.052 0.000 0.248 176 N C -0.683 174.862 175.510 0.059 0.000 1.062 176 N CA 0.204 53.296 53.050 0.069 0.000 0.704 176 N CB -1.652 36.868 38.487 0.054 0.000 0.968 176 N HN 0.213 nan 8.380 nan 0.000 0.547 177 L N -0.264 120.999 121.223 0.067 0.000 2.426 177 L HA 0.171 4.480 4.340 -0.052 0.000 0.271 177 L C 0.918 177.801 176.870 0.021 0.000 1.169 177 L CA -0.083 54.788 54.840 0.052 0.000 0.836 177 L CB 0.427 42.525 42.059 0.064 0.000 1.112 177 L HN 0.103 nan 8.230 nan 0.000 0.465 178 D N 3.032 123.440 120.400 0.013 0.000 2.741 178 D HA 0.294 4.903 4.640 -0.052 0.000 0.233 178 D C -1.016 175.283 176.300 -0.003 0.000 1.160 178 D CA 0.194 54.194 54.000 0.001 0.000 1.003 178 D CB 0.386 41.184 40.800 -0.003 0.000 1.064 178 D HN 0.162 nan 8.370 nan 0.000 0.503 179 V N 0.835 120.746 119.914 -0.006 0.000 2.969 179 V HA 0.723 4.812 4.120 -0.052 0.000 0.304 179 V C -1.271 174.805 176.094 -0.031 0.000 1.192 179 V CA -0.795 61.497 62.300 -0.013 0.000 0.962 179 V CB 1.980 33.806 31.823 0.005 0.000 1.045 179 V HN 0.323 nan 8.190 nan 0.000 0.428 180 A N 5.422 128.210 122.820 -0.053 0.000 2.301 180 A HA 0.761 5.050 4.320 -0.052 0.000 0.298 180 A C -0.584 176.924 177.584 -0.128 0.000 1.185 180 A CA -0.386 51.601 52.037 -0.082 0.000 0.830 180 A CB 1.124 20.071 19.000 -0.088 0.000 1.112 180 A HN 1.084 nan 8.150 nan 0.000 0.508 181 V N 3.639 123.489 119.914 -0.106 0.000 2.407 181 V HA 0.330 4.419 4.120 -0.052 0.000 0.278 181 V C -0.164 175.839 176.094 -0.151 0.000 1.037 181 V CA -0.310 61.931 62.300 -0.098 0.000 0.900 181 V CB 1.289 33.082 31.823 -0.050 0.000 0.983 181 V HN 0.592 nan 8.190 nan 0.000 0.459 182 V N 4.414 124.170 119.914 -0.263 0.000 2.357 182 V HA 0.613 4.702 4.120 -0.052 0.000 0.284 182 V C 0.741 176.811 176.094 -0.040 0.000 1.018 182 V CA -0.439 61.712 62.300 -0.248 0.000 0.841 182 V CB 1.557 33.022 31.823 -0.598 0.000 0.991 182 V HN 0.937 nan 8.190 nan 0.000 0.437 183 G N 3.673 112.494 108.800 0.035 0.000 2.372 183 G HA2 0.550 4.479 3.960 -0.052 0.000 0.283 183 G HA3 0.550 4.479 3.960 -0.052 0.000 0.283 183 G C -0.755 174.230 174.900 0.142 0.000 1.177 183 G CA -0.276 44.888 45.100 0.107 0.000 0.842 183 G HN 0.545 nan 8.290 nan 0.000 0.503 184 V N 4.317 124.336 119.914 0.175 0.000 2.495 184 V HA 0.338 4.427 4.120 -0.052 0.000 0.298 184 V C -2.037 174.137 176.094 0.134 0.000 1.031 184 V CA -1.650 60.749 62.300 0.164 0.000 0.871 184 V CB 2.241 34.177 31.823 0.189 0.000 0.988 184 V HN 0.592 nan 8.190 nan 0.000 0.432 185 P HA 0.107 nan 4.420 nan 0.000 0.267 185 P C 0.019 177.368 177.300 0.081 0.000 1.200 185 P CA 0.066 63.220 63.100 0.089 0.000 0.772 185 P CB 0.204 31.945 31.700 0.067 0.000 0.855 186 T N 1.972 116.571 114.554 0.075 0.000 2.902 186 T HA 0.115 4.433 4.350 -0.052 0.000 0.301 186 T C 0.284 175.008 174.700 0.040 0.000 1.012 186 T CA -0.025 62.111 62.100 0.061 0.000 1.151 186 T CB -0.075 68.824 68.868 0.052 0.000 0.946 186 T HN 0.042 nan 8.240 nan 0.000 0.542 187 V N 5.795 125.730 119.914 0.034 0.000 2.465 187 V HA 0.407 4.496 4.120 -0.052 0.000 0.279 187 V C 0.557 176.647 176.094 -0.007 0.000 1.045 187 V CA -0.506 61.806 62.300 0.020 0.000 0.938 187 V CB 1.020 32.863 31.823 0.033 0.000 0.986 187 V HN 0.729 nan 8.190 nan 0.000 0.467 188 R N 2.669 123.162 120.500 -0.011 0.000 2.778 188 R HA 0.497 4.806 4.340 -0.052 0.000 0.277 188 R C -0.397 175.885 176.300 -0.031 0.000 0.977 188 R CA -0.919 55.166 56.100 -0.025 0.000 0.950 188 R CB 1.874 32.165 30.300 -0.014 0.000 1.165 188 R HN 0.641 nan 8.270 nan 0.000 0.474 189 E N 0.697 120.872 120.200 -0.043 0.000 2.435 189 E HA -0.004 4.315 4.350 -0.052 0.000 0.254 189 E C 0.958 177.544 176.600 -0.024 0.000 1.289 189 E CA 0.218 56.596 56.400 -0.038 0.000 0.983 189 E CB 0.450 30.123 29.700 -0.046 0.000 1.010 189 E HN 0.748 nan 8.360 nan 0.000 0.509 190 A N 1.257 124.065 122.820 -0.020 0.000 1.972 190 A HA -0.200 4.089 4.320 -0.052 0.000 0.219 190 A C 1.383 178.958 177.584 -0.015 0.000 1.169 190 A CA 2.047 54.076 52.037 -0.015 0.000 0.635 190 A CB -0.425 18.568 19.000 -0.012 0.000 0.810 190 A HN 0.598 nan 8.150 nan 0.000 0.446 191 D N -2.581 117.808 120.400 -0.018 0.000 2.340 191 D HA 0.274 4.883 4.640 -0.052 0.000 0.220 191 D C 1.170 177.459 176.300 -0.019 0.000 1.039 191 D CA 1.108 55.097 54.000 -0.018 0.000 0.866 191 D CB -0.272 40.516 40.800 -0.019 0.000 0.913 191 D HN 0.760 nan 8.370 nan 0.000 0.523 192 G N 0.175 108.964 108.800 -0.019 0.000 2.238 192 G HA2 -0.245 3.684 3.960 -0.052 0.000 0.217 192 G HA3 -0.245 3.684 3.960 -0.052 0.000 0.217 192 G C 0.028 174.915 174.900 -0.023 0.000 0.996 192 G CA -0.067 45.023 45.100 -0.017 0.000 0.632 192 G HN 0.426 nan 8.290 nan 0.000 0.503 193 L N 2.491 123.696 121.223 -0.030 0.000 2.628 193 L HA 0.576 4.885 4.340 -0.052 0.000 0.274 193 L C 1.090 177.931 176.870 -0.048 0.000 1.209 193 L CA 0.375 55.191 54.840 -0.039 0.000 0.930 193 L CB 0.029 42.060 42.059 -0.046 0.000 1.183 193 L HN 1.083 nan 8.230 nan 0.000 0.492 194 A N 7.331 130.125 122.820 -0.044 0.000 2.524 194 A HA 0.214 4.503 4.320 -0.052 0.000 0.250 194 A C 0.492 178.020 177.584 -0.093 0.000 1.078 194 A CA -0.276 51.733 52.037 -0.047 0.000 0.761 194 A CB -0.319 18.667 19.000 -0.023 0.000 1.012 194 A HN 0.822 nan 8.150 nan 0.000 0.500 195 M N 2.563 122.083 119.600 -0.133 0.000 2.238 195 M HA 0.253 4.702 4.480 -0.052 0.000 0.350 195 M C 0.538 176.618 176.300 -0.367 0.000 1.321 195 M CA 0.718 55.840 55.300 -0.297 0.000 1.097 195 M CB 0.501 32.881 32.600 -0.367 0.000 1.713 195 M HN 0.793 nan 8.290 nan 0.000 0.455 196 S N 0.733 116.183 115.700 -0.417 0.000 2.547 196 S HA 0.336 4.775 4.470 -0.052 0.000 0.270 196 S C 0.714 175.220 174.600 -0.158 0.000 1.150 196 S CA -0.328 57.768 58.200 -0.173 0.000 0.850 196 S CB 1.481 64.642 63.200 -0.065 0.000 1.118 196 S HN 0.801 nan 8.310 nan 0.000 0.461 197 S N 3.358 119.113 115.700 0.091 0.000 2.382 197 S HA -0.118 4.321 4.470 -0.052 0.000 0.228 197 S C 1.650 176.042 174.600 -0.347 0.000 1.027 197 S CA 0.891 59.074 58.200 -0.029 0.000 0.991 197 S CB -0.546 62.653 63.200 -0.002 0.000 0.823 197 S HN 0.767 nan 8.310 nan 0.000 0.469 198 R N 1.601 121.891 120.500 -0.352 0.000 2.200 198 R HA 0.052 4.361 4.340 -0.052 0.000 0.234 198 R C 1.477 177.511 176.300 -0.444 0.000 1.127 198 R CA 1.112 56.877 56.100 -0.559 0.000 0.989 198 R CB -0.463 29.700 30.300 -0.228 0.000 0.869 198 R HN 0.440 nan 8.270 nan 0.000 0.459 199 N N 0.896 119.435 118.700 -0.268 0.000 2.443 199 N HA -0.174 4.535 4.740 -0.052 0.000 0.184 199 N C 1.510 176.942 175.510 -0.131 0.000 1.037 199 N CA 1.051 54.002 53.050 -0.164 0.000 0.896 199 N CB -0.161 38.241 38.487 -0.141 0.000 0.959 199 N HN 0.454 nan 8.380 nan 0.000 0.442 200 R N -0.491 119.891 120.500 -0.196 0.000 2.193 200 R HA -0.023 4.286 4.340 -0.052 0.000 0.213 200 R C 0.588 176.973 176.300 0.142 0.000 1.055 200 R CA 0.795 56.868 56.100 -0.046 0.000 0.995 200 R CB -0.435 29.844 30.300 -0.035 0.000 0.893 200 R HN 0.138 nan 8.270 nan 0.000 0.459 201 Y N 1.494 121.780 120.300 -0.024 0.000 2.578 201 Y HA 0.264 4.784 4.550 -0.051 0.000 0.297 201 Y C 0.588 176.478 175.900 -0.018 0.000 1.176 201 Y CA -0.818 57.270 58.100 -0.020 0.000 1.315 201 Y CB -0.326 38.123 38.460 -0.018 0.000 1.031 201 Y HN -0.043 nan 8.280 nan 0.000 0.524 202 L N 2.124 123.412 121.223 0.108 0.000 2.264 202 L HA 0.226 4.535 4.340 -0.052 0.000 0.289 202 L C 0.197 177.088 176.870 0.036 0.000 1.044 202 L CA -0.938 53.933 54.840 0.051 0.000 0.807 202 L CB 0.703 42.770 42.059 0.013 0.000 1.192 202 L HN 0.103 nan 8.230 nan 0.000 0.425 203 D N 3.734 124.151 120.400 0.029 0.000 2.384 203 D HA 0.131 4.740 4.640 -0.052 0.000 0.244 203 D C -2.005 174.300 176.300 0.008 0.000 1.251 203 D CA -1.655 52.355 54.000 0.017 0.000 0.961 203 D CB 0.397 41.204 40.800 0.012 0.000 1.116 203 D HN 0.156 nan 8.370 nan 0.000 0.484 204 P HA -0.077 nan 4.420 nan 0.000 0.219 204 P C 0.926 178.225 177.300 -0.002 0.000 1.146 204 P CA 2.052 65.151 63.100 -0.000 0.000 0.808 204 P CB -0.015 31.684 31.700 -0.001 0.000 0.779 205 A N -0.136 122.683 122.820 -0.001 0.000 1.840 205 A HA -0.218 4.071 4.320 -0.052 0.000 0.214 205 A C 2.241 179.823 177.584 -0.003 0.000 1.198 205 A CA 1.405 53.440 52.037 -0.002 0.000 0.608 205 A CB -1.335 17.664 19.000 -0.002 0.000 0.839 205 A HN 0.125 nan 8.150 nan 0.000 0.443 206 Q N -0.994 118.806 119.800 -0.001 0.000 2.096 206 Q HA -0.251 4.057 4.340 -0.052 0.000 0.204 206 Q C 2.285 178.282 176.000 -0.006 0.000 0.982 206 Q CA 1.813 57.615 55.803 -0.001 0.000 0.850 206 Q CB -0.246 28.495 28.738 0.006 0.000 0.901 206 Q HN 0.532 nan 8.270 nan 0.000 0.422 207 R N 1.028 121.525 120.500 -0.006 0.000 2.105 207 R HA -0.131 4.177 4.340 -0.052 0.000 0.239 207 R C 1.907 178.199 176.300 -0.015 0.000 1.135 207 R CA 1.786 57.879 56.100 -0.012 0.000 0.967 207 R CB -0.742 29.551 30.300 -0.012 0.000 0.861 207 R HN 0.269 nan 8.270 nan 0.000 0.442 208 A N -0.018 122.795 122.820 -0.011 0.000 1.929 208 A HA 0.093 4.382 4.320 -0.052 0.000 0.216 208 A C 2.307 179.884 177.584 -0.013 0.000 1.176 208 A CA 1.446 53.476 52.037 -0.012 0.000 0.628 208 A CB -0.877 18.117 19.000 -0.009 0.000 0.816 208 A HN 0.460 nan 8.150 nan 0.000 0.444 209 A N -0.326 122.487 122.820 -0.012 0.000 2.067 209 A HA 0.288 4.577 4.320 -0.052 0.000 0.219 209 A C 2.277 179.851 177.584 -0.016 0.000 1.158 209 A CA 1.528 53.558 52.037 -0.012 0.000 0.661 209 A CB -0.665 18.328 19.000 -0.010 0.000 0.801 209 A HN 0.957 nan 8.150 nan 0.000 0.452 210 A N -0.686 122.124 122.820 -0.018 0.000 2.066 210 A HA 0.079 4.368 4.320 -0.052 0.000 0.218 210 A C 2.087 179.656 177.584 -0.024 0.000 1.157 210 A CA 1.241 53.264 52.037 -0.023 0.000 0.670 210 A CB -0.770 18.215 19.000 -0.026 0.000 0.804 210 A HN 0.702 nan 8.150 nan 0.000 0.453 211 V N -0.155 119.746 119.914 -0.022 0.000 2.720 211 V HA -0.186 3.903 4.120 -0.052 0.000 0.256 211 V C 2.575 178.657 176.094 -0.019 0.000 1.082 211 V CA 1.950 64.237 62.300 -0.021 0.000 1.101 211 V CB -0.668 31.144 31.823 -0.019 0.000 0.693 211 V HN 0.591 nan 8.190 nan 0.000 0.479 212 A N -0.448 122.361 122.820 -0.018 0.000 2.019 212 A HA -0.117 4.172 4.320 -0.052 0.000 0.219 212 A C 2.001 179.574 177.584 -0.018 0.000 1.164 212 A CA 1.868 53.894 52.037 -0.017 0.000 0.644 212 A CB -0.457 18.533 19.000 -0.016 0.000 0.805 212 A HN 0.527 nan 8.150 nan 0.000 0.449 213 L N 0.520 121.729 121.223 -0.022 0.000 2.005 213 L HA -0.160 4.149 4.340 -0.052 0.000 0.207 213 L C 3.049 179.909 176.870 -0.018 0.000 1.072 213 L CA 2.425 57.251 54.840 -0.024 0.000 0.744 213 L CB -0.807 41.233 42.059 -0.032 0.000 0.895 213 L HN 0.551 nan 8.230 nan 0.000 0.433 214 S N -0.776 114.914 115.700 -0.017 0.000 2.383 214 S HA -0.116 4.322 4.470 -0.052 0.000 0.227 214 S C 2.161 176.757 174.600 -0.007 0.000 1.026 214 S CA 0.713 58.906 58.200 -0.012 0.000 0.981 214 S CB -0.789 62.402 63.200 -0.014 0.000 0.818 214 S HN 0.310 nan 8.310 nan 0.000 0.472 215 A N 2.357 125.171 122.820 -0.010 0.000 1.908 215 A HA 0.183 4.472 4.320 -0.052 0.000 0.218 215 A C 2.558 180.141 177.584 -0.003 0.000 1.181 215 A CA 2.002 54.034 52.037 -0.008 0.000 0.627 215 A CB -1.535 17.457 19.000 -0.013 0.000 0.818 215 A HN 0.878 nan 8.150 nan 0.000 0.445 216 A N -0.412 122.405 122.820 -0.004 0.000 1.898 216 A HA 0.006 4.295 4.320 -0.052 0.000 0.216 216 A C 2.196 179.782 177.584 0.004 0.000 1.181 216 A CA 1.443 53.480 52.037 -0.001 0.000 0.620 216 A CB -0.578 18.419 19.000 -0.005 0.000 0.819 216 A HN 0.470 nan 8.150 nan 0.000 0.442 217 L N -0.123 121.101 121.223 0.000 0.000 2.017 217 L HA -0.169 4.140 4.340 -0.052 0.000 0.208 217 L C 3.065 179.942 176.870 0.012 0.000 1.073 217 L CA 1.940 56.779 54.840 -0.001 0.000 0.745 217 L CB -1.039 41.014 42.059 -0.011 0.000 0.894 217 L HN 0.659 nan 8.230 nan 0.000 0.432 218 T N -2.590 111.981 114.554 0.029 0.000 2.867 218 T HA -0.072 4.246 4.350 -0.052 0.000 0.268 218 T C 1.935 176.720 174.700 0.143 0.000 1.057 218 T CA 0.853 63.005 62.100 0.085 0.000 1.136 218 T CB -0.295 68.617 68.868 0.073 0.000 0.874 218 T HN 0.294 nan 8.240 nan 0.000 0.466 219 A N 2.217 125.077 122.820 0.066 0.000 1.858 219 A HA 0.283 4.571 4.320 -0.052 0.000 0.216 219 A C 2.903 180.527 177.584 0.068 0.000 1.190 219 A CA 2.100 54.172 52.037 0.058 0.000 0.617 219 A CB -1.568 17.444 19.000 0.020 0.000 0.827 219 A HN 0.781 nan 8.150 nan 0.000 0.443 220 A N -0.083 122.758 122.820 0.035 0.000 1.892 220 A HA 0.042 4.331 4.320 -0.052 0.000 0.218 220 A C 2.517 180.099 177.584 -0.003 0.000 1.188 220 A CA 2.530 54.576 52.037 0.014 0.000 0.631 220 A CB -1.146 17.854 19.000 0.000 0.000 0.822 220 A HN 1.216 nan 8.150 nan 0.000 0.447 221 A N -1.562 121.247 122.820 -0.019 0.000 1.978 221 A HA -0.196 4.093 4.320 -0.052 0.000 0.220 221 A C 2.025 179.471 177.584 -0.230 0.000 1.170 221 A CA 1.627 53.590 52.037 -0.124 0.000 0.636 221 A CB -0.803 18.100 19.000 -0.161 0.000 0.810 221 A HN 0.738 nan 8.150 nan 0.000 0.448 222 H N -1.336 117.694 119.070 -0.068 0.000 2.431 222 H HA 0.180 4.706 4.556 -0.051 0.000 0.295 222 H C 2.511 177.810 175.328 -0.048 0.000 1.038 222 H CA 0.924 56.921 56.048 -0.085 0.000 1.360 222 H CB -0.140 29.568 29.762 -0.090 0.000 1.433 222 H HN 0.535 nan 8.280 nan 0.000 0.536 223 A N 1.483 124.349 122.820 0.077 0.000 2.019 223 A HA -0.074 4.215 4.320 -0.052 0.000 0.219 223 A C 2.566 180.164 177.584 0.022 0.000 1.164 223 A CA 1.245 53.309 52.037 0.045 0.000 0.644 223 A CB -0.602 18.418 19.000 0.034 0.000 0.805 223 A HN 0.403 nan 8.150 nan 0.000 0.449 224 A N 0.033 122.849 122.820 -0.006 0.000 2.131 224 A HA -0.087 4.202 4.320 -0.052 0.000 0.220 224 A C 2.274 179.857 177.584 -0.001 0.000 1.158 224 A CA 2.174 54.202 52.037 -0.015 0.000 0.665 224 A CB -1.380 17.594 19.000 -0.044 0.000 0.795 224 A HN 0.804 nan 8.150 nan 0.000 0.460 225 T N -2.384 112.179 114.554 0.015 0.000 2.849 225 T HA 0.016 4.334 4.350 -0.052 0.000 0.270 225 T C 1.579 176.307 174.700 0.046 0.000 1.066 225 T CA 1.428 63.559 62.100 0.051 0.000 1.130 225 T CB -0.388 68.550 68.868 0.116 0.000 0.864 225 T HN 0.618 nan 8.240 nan 0.000 0.481 226 A N 0.887 123.729 122.820 0.038 0.000 2.275 226 A HA 0.645 4.934 4.320 -0.052 0.000 0.212 226 A C 1.289 178.885 177.584 0.020 0.000 1.201 226 A CA 0.333 52.389 52.037 0.031 0.000 0.843 226 A CB -0.685 18.334 19.000 0.032 0.000 0.873 226 A HN 1.374 nan 8.150 nan 0.000 0.492 227 G N -2.793 106.016 108.800 0.015 0.000 2.479 227 G HA2 0.322 4.251 3.960 -0.052 0.000 0.686 227 G HA3 0.322 4.251 3.960 -0.052 0.000 0.686 227 G C 0.695 175.597 174.900 0.004 0.000 1.295 227 G CA -0.215 44.890 45.100 0.008 0.000 0.922 227 G HN 1.157 nan 8.290 nan 0.000 0.582 228 A N -0.647 122.173 122.820 0.001 0.000 1.902 228 A HA 0.024 4.313 4.320 -0.052 0.000 0.217 228 A C 2.301 179.886 177.584 0.002 0.000 1.181 228 A CA 2.717 54.753 52.037 -0.001 0.000 0.623 228 A CB -0.491 18.508 19.000 -0.003 0.000 0.818 228 A HN 1.399 nan 8.150 nan 0.000 0.443 229 Q N -0.102 119.701 119.800 0.004 0.000 2.084 229 Q HA -0.022 4.287 4.340 -0.052 0.000 0.202 229 Q C 2.004 178.009 176.000 0.008 0.000 0.978 229 Q CA 2.095 57.902 55.803 0.006 0.000 0.844 229 Q CB -0.542 28.200 28.738 0.007 0.000 0.898 229 Q HN 0.543 nan 8.270 nan 0.000 0.426 230 A N 0.381 123.206 122.820 0.009 0.000 1.902 230 A HA -0.056 4.233 4.320 -0.052 0.000 0.217 230 A C 2.312 179.902 177.584 0.011 0.000 1.181 230 A CA 1.817 53.861 52.037 0.012 0.000 0.623 230 A CB -1.238 17.771 19.000 0.015 0.000 0.818 230 A HN 0.548 nan 8.150 nan 0.000 0.443 231 A N -0.352 122.472 122.820 0.007 0.000 1.877 231 A HA -0.061 4.228 4.320 -0.052 0.000 0.216 231 A C 2.206 179.794 177.584 0.005 0.000 1.186 231 A CA 1.547 53.586 52.037 0.004 0.000 0.620 231 A CB -0.623 18.373 19.000 -0.006 0.000 0.822 231 A HN 0.466 nan 8.150 nan 0.000 0.443 232 L N -0.677 120.549 121.223 0.005 0.000 2.056 232 L HA -0.180 4.129 4.340 -0.052 0.000 0.207 232 L C 2.052 178.928 176.870 0.010 0.000 1.078 232 L CA 1.458 56.303 54.840 0.009 0.000 0.749 232 L CB -0.518 41.547 42.059 0.010 0.000 0.901 232 L HN 0.314 nan 8.230 nan 0.000 0.433 233 D N -0.116 120.290 120.400 0.010 0.000 2.144 233 D HA -0.125 4.484 4.640 -0.052 0.000 0.200 233 D C 2.197 178.502 176.300 0.009 0.000 0.978 233 D CA 1.304 55.309 54.000 0.010 0.000 0.833 233 D CB -0.025 40.781 40.800 0.009 0.000 0.961 233 D HN 0.295 nan 8.370 nan 0.000 0.470 234 A N 1.011 123.837 122.820 0.010 0.000 1.877 234 A HA -0.061 4.227 4.320 -0.052 0.000 0.216 234 A C 2.307 179.896 177.584 0.008 0.000 1.186 234 A CA 2.260 54.304 52.037 0.011 0.000 0.620 234 A CB -0.826 18.184 19.000 0.016 0.000 0.822 234 A HN 0.230 nan 8.150 nan 0.000 0.443 235 A N -0.160 122.665 122.820 0.008 0.000 1.877 235 A HA -0.170 4.119 4.320 -0.052 0.000 0.216 235 A C 2.197 179.783 177.584 0.004 0.000 1.186 235 A CA 2.210 54.251 52.037 0.006 0.000 0.620 235 A CB -0.466 18.538 19.000 0.007 0.000 0.822 235 A HN 0.502 nan 8.150 nan 0.000 0.443 236 R N 0.140 120.644 120.500 0.007 0.000 2.096 236 R HA -0.019 4.290 4.340 -0.052 0.000 0.235 236 R C 2.108 178.410 176.300 0.003 0.000 1.127 236 R CA 1.900 58.004 56.100 0.006 0.000 0.968 236 R CB -0.778 29.528 30.300 0.009 0.000 0.861 236 R HN 0.383 nan 8.270 nan 0.000 0.440 237 A N -0.186 122.637 122.820 0.004 0.000 1.902 237 A HA -0.096 4.193 4.320 -0.052 0.000 0.217 237 A C 2.291 179.874 177.584 -0.000 0.000 1.181 237 A CA 1.789 53.827 52.037 0.002 0.000 0.623 237 A CB -0.655 18.347 19.000 0.003 0.000 0.818 237 A HN 0.201 nan 8.150 nan 0.000 0.443 238 V N -0.076 119.837 119.914 -0.001 0.000 2.358 238 V HA -0.223 3.866 4.120 -0.052 0.000 0.246 238 V C 2.535 178.625 176.094 -0.006 0.000 1.047 238 V CA 1.849 64.146 62.300 -0.004 0.000 1.035 238 V CB -0.761 31.060 31.823 -0.004 0.000 0.658 238 V HN 0.555 nan 8.190 nan 0.000 0.452 239 L N -0.149 121.071 121.223 -0.006 0.000 2.093 239 L HA -0.165 4.144 4.340 -0.052 0.000 0.208 239 L C 2.245 179.111 176.870 -0.007 0.000 1.085 239 L CA 1.419 56.253 54.840 -0.009 0.000 0.755 239 L CB -0.672 41.381 42.059 -0.011 0.000 0.904 239 L HN 0.316 nan 8.230 nan 0.000 0.435 240 D N 0.165 120.562 120.400 -0.004 0.000 2.219 240 D HA -0.096 4.513 4.640 -0.052 0.000 0.205 240 D C 2.106 178.404 176.300 -0.004 0.000 0.970 240 D CA 1.229 55.227 54.000 -0.003 0.000 0.851 240 D CB 0.037 40.836 40.800 -0.001 0.000 0.943 240 D HN 0.293 nan 8.370 nan 0.000 0.488 241 A N 0.106 122.923 122.820 -0.004 0.000 2.206 241 A HA 0.351 4.640 4.320 -0.052 0.000 0.211 241 A C 1.168 178.748 177.584 -0.006 0.000 1.158 241 A CA 0.476 52.510 52.037 -0.005 0.000 0.761 241 A CB -0.075 18.922 19.000 -0.005 0.000 0.801 241 A HN 0.154 nan 8.150 nan 0.000 0.473 242 A N 1.674 124.490 122.820 -0.007 0.000 2.260 242 A HA 0.581 4.870 4.320 -0.052 0.000 0.308 242 A C -2.473 175.106 177.584 -0.008 0.000 1.254 242 A CA -1.778 50.253 52.037 -0.009 0.000 0.874 242 A CB 0.007 19.000 19.000 -0.011 0.000 1.153 242 A HN 0.204 nan 8.150 nan 0.000 0.527 243 P HA 0.109 nan 4.420 nan 0.000 0.260 243 P C 0.773 178.069 177.300 -0.007 0.000 1.207 243 P CA 1.424 64.520 63.100 -0.006 0.000 0.780 243 P CB 0.130 31.826 31.700 -0.006 0.000 0.789 244 G N 2.426 111.223 108.800 -0.006 0.000 2.350 244 G HA2 -0.178 3.751 3.960 -0.052 0.000 0.298 244 G HA3 -0.178 3.751 3.960 -0.052 0.000 0.298 244 G C -0.158 174.736 174.900 -0.009 0.000 1.037 244 G CA -0.310 44.786 45.100 -0.006 0.000 1.074 244 G HN 0.516 nan 8.290 nan 0.000 0.511 245 V N 0.362 120.269 119.914 -0.011 0.000 2.357 245 V HA 0.737 4.826 4.120 -0.052 0.000 0.284 245 V C 0.588 176.672 176.094 -0.018 0.000 1.018 245 V CA -0.260 62.030 62.300 -0.017 0.000 0.841 245 V CB 1.649 33.460 31.823 -0.019 0.000 0.991 245 V HN 1.184 nan 8.190 nan 0.000 0.437 246 A N 5.625 128.433 122.820 -0.020 0.000 2.280 246 A HA 0.671 4.959 4.320 -0.052 0.000 0.320 246 A C -0.230 177.334 177.584 -0.033 0.000 1.366 246 A CA -0.412 51.614 52.037 -0.020 0.000 0.938 246 A CB 0.534 19.525 19.000 -0.014 0.000 1.157 246 A HN 0.657 nan 8.150 nan 0.000 0.536 247 V N 3.746 123.641 119.914 -0.031 0.000 2.521 247 V HA 0.022 4.111 4.120 -0.052 0.000 0.286 247 V C 0.699 176.768 176.094 -0.043 0.000 1.034 247 V CA 0.224 62.496 62.300 -0.047 0.000 1.045 247 V CB 0.616 32.423 31.823 -0.027 0.000 0.974 247 V HN 0.944 nan 8.190 nan 0.000 0.480 248 D N 2.598 122.943 120.400 -0.092 0.000 2.146 248 D HA 0.072 4.681 4.640 -0.052 0.000 0.209 248 D C 0.103 176.423 176.300 0.034 0.000 0.973 248 D CA 1.632 55.598 54.000 -0.057 0.000 0.860 248 D CB 0.160 40.880 40.800 -0.132 0.000 1.015 248 D HN 0.716 nan 8.370 nan 0.000 0.465 249 Y N -1.117 119.190 120.300 0.012 0.000 2.562 249 Y HA 0.636 5.154 4.550 -0.053 0.000 0.345 249 Y C -1.616 174.290 175.900 0.010 0.000 1.045 249 Y CA -1.785 56.323 58.100 0.013 0.000 1.028 249 Y CB 1.141 39.612 38.460 0.018 0.000 1.297 249 Y HN -0.184 nan 8.280 nan 0.000 0.463 250 L N 2.571 123.946 121.223 0.255 0.000 2.491 250 L HA 0.639 4.948 4.340 -0.052 0.000 0.267 250 L C -1.517 175.445 176.870 0.153 0.000 0.971 250 L CA -0.314 54.633 54.840 0.178 0.000 0.857 250 L CB 1.773 43.876 42.059 0.073 0.000 1.226 250 L HN 0.888 nan 8.230 nan 0.000 0.408 251 E N 3.940 124.232 120.200 0.154 0.000 2.308 251 E HA 0.457 4.775 4.350 -0.052 0.000 0.275 251 E C -1.861 174.757 176.600 0.030 0.000 0.890 251 E CA -0.953 55.486 56.400 0.066 0.000 0.754 251 E CB 2.894 32.598 29.700 0.006 0.000 1.207 251 E HN 0.484 nan 8.360 nan 0.000 0.426 252 L N 3.505 124.733 121.223 0.007 0.000 2.298 252 L HA 0.483 4.792 4.340 -0.052 0.000 0.284 252 L C -0.906 175.955 176.870 -0.016 0.000 1.013 252 L CA -0.018 54.818 54.840 -0.008 0.000 0.824 252 L CB 0.642 42.697 42.059 -0.007 0.000 1.221 252 L HN 0.472 nan 8.230 nan 0.000 0.418 253 R N 2.757 123.244 120.500 -0.021 0.000 2.888 253 R HA 0.382 4.691 4.340 -0.052 0.000 0.264 253 R C -0.970 175.324 176.300 -0.010 0.000 1.045 253 R CA -0.988 55.103 56.100 -0.015 0.000 0.962 253 R CB 1.659 31.953 30.300 -0.010 0.000 1.210 253 R HN 0.748 nan 8.270 nan 0.000 0.479 254 D N 1.199 121.598 120.400 -0.001 0.000 2.363 254 D HA -0.019 4.590 4.640 -0.052 0.000 0.240 254 D C 1.275 177.598 176.300 0.040 0.000 1.236 254 D CA -0.123 53.882 54.000 0.007 0.000 0.927 254 D CB 0.898 41.699 40.800 0.001 0.000 1.150 254 D HN 0.581 nan 8.370 nan 0.000 0.458 255 I N -0.886 119.717 120.570 0.054 0.000 2.916 255 I HA 0.108 4.247 4.170 -0.052 0.000 0.267 255 I C 1.586 177.801 176.117 0.164 0.000 1.263 255 I CA 0.853 62.235 61.300 0.137 0.000 1.471 255 I CB -0.256 37.816 38.000 0.121 0.000 1.089 255 I HN 0.328 nan 8.210 nan 0.000 0.468 256 G N 0.824 109.660 108.800 0.060 0.000 3.042 256 G HA2 0.298 4.227 3.960 -0.052 0.000 0.212 256 G HA3 0.298 4.227 3.960 -0.052 0.000 0.212 256 G C 0.982 175.876 174.900 -0.010 0.000 1.166 256 G CA -0.172 44.927 45.100 -0.002 0.000 0.767 256 G HN 0.474 nan 8.290 nan 0.000 0.546 257 L N -1.359 119.890 121.223 0.043 0.000 4.560 257 L HA -0.182 4.127 4.340 -0.052 0.000 0.415 257 L C 1.704 178.561 176.870 -0.021 0.000 1.123 257 L CA -0.112 54.740 54.840 0.021 0.000 0.991 257 L CB -1.886 40.177 42.059 0.007 0.000 2.127 257 L HN 0.362 nan 8.230 nan 0.000 0.765 258 G N 0.747 109.535 108.800 -0.020 0.000 2.468 258 G HA2 0.357 4.286 3.960 -0.052 0.000 0.264 258 G HA3 0.357 4.286 3.960 -0.052 0.000 0.264 258 G C -1.693 173.196 174.900 -0.019 0.000 1.460 258 G CA 0.359 45.444 45.100 -0.025 0.000 1.060 258 G HN 0.173 nan 8.290 nan 0.000 0.543 259 P HA 0.192 nan 4.420 nan 0.000 0.254 259 P C 0.128 177.420 177.300 -0.014 0.000 1.620 259 P CA -0.139 62.950 63.100 -0.018 0.000 1.050 259 P CB 0.054 31.744 31.700 -0.017 0.000 1.539 260 M N -0.973 118.620 119.600 -0.012 0.000 4.205 260 M HA -0.112 4.337 4.480 -0.052 0.000 0.157 260 M C -2.484 173.811 176.300 -0.009 0.000 1.508 260 M CA 0.037 55.331 55.300 -0.010 0.000 1.105 260 M CB -1.508 31.085 32.600 -0.011 0.000 1.325 260 M HN -0.021 nan 8.290 nan 0.000 0.190 261 P HA 0.428 nan 4.420 nan 0.000 0.282 261 P C 1.290 178.587 177.300 -0.006 0.000 1.286 261 P CA 0.376 63.472 63.100 -0.007 0.000 0.777 261 P CB 0.087 31.784 31.700 -0.006 0.000 1.184 262 L N -0.683 120.537 121.223 -0.005 0.000 1.933 262 L HA -0.088 4.221 4.340 -0.052 0.000 0.220 262 L C 1.687 178.555 176.870 -0.003 0.000 1.078 262 L CA 3.056 57.894 54.840 -0.004 0.000 0.773 262 L CB -2.588 39.469 42.059 -0.002 0.000 0.890 262 L HN 0.659 nan 8.230 nan 0.000 0.434 263 N N -1.090 117.608 118.700 -0.003 0.000 2.588 263 N HA 0.522 5.231 4.740 -0.052 0.000 0.298 263 N C 0.754 176.261 175.510 -0.004 0.000 1.718 263 N CA 0.897 53.945 53.050 -0.003 0.000 0.888 263 N CB 0.027 38.514 38.487 0.000 0.000 1.389 263 N HN 1.033 nan 8.380 nan 0.000 0.491 264 G N -0.494 108.302 108.800 -0.006 0.000 3.229 264 G HA2 0.473 4.402 3.960 -0.052 0.000 0.165 264 G HA3 0.473 4.402 3.960 -0.052 0.000 0.165 264 G C 0.170 175.063 174.900 -0.011 0.000 1.753 264 G CA 0.218 45.314 45.100 -0.007 0.000 1.054 264 G HN 0.439 nan 8.290 nan 0.000 0.544 265 S N -1.030 114.663 115.700 -0.011 0.000 2.549 265 S HA 0.724 5.163 4.470 -0.052 0.000 0.297 265 S C 0.185 174.774 174.600 -0.018 0.000 1.115 265 S CA 0.046 58.236 58.200 -0.017 0.000 1.059 265 S CB 1.466 64.660 63.200 -0.010 0.000 1.046 265 S HN 1.010 nan 8.310 nan 0.000 0.506 266 G N 1.090 109.870 108.800 -0.033 0.000 2.663 266 G HA2 0.681 4.610 3.960 -0.052 0.000 0.299 266 G HA3 0.681 4.610 3.960 -0.052 0.000 0.299 266 G C -1.880 172.969 174.900 -0.084 0.000 1.372 266 G CA -0.740 44.336 45.100 -0.040 0.000 0.781 266 G HN 0.526 nan 8.290 nan 0.000 0.491 267 R N -0.887 119.548 120.500 -0.107 0.000 2.575 267 R HA 0.645 4.954 4.340 -0.052 0.000 0.293 267 R C -1.627 174.597 176.300 -0.128 0.000 0.983 267 R CA -0.661 55.316 56.100 -0.205 0.000 0.887 267 R CB 1.651 31.707 30.300 -0.407 0.000 1.184 267 R HN 0.517 nan 8.270 nan 0.000 0.445 268 L N 5.411 126.565 121.223 -0.115 0.000 2.272 268 L HA 0.577 4.886 4.340 -0.052 0.000 0.289 268 L C -1.677 175.174 176.870 -0.031 0.000 1.032 268 L CA -0.290 54.519 54.840 -0.052 0.000 0.810 268 L CB 1.069 43.105 42.059 -0.038 0.000 1.205 268 L HN 0.600 nan 8.230 nan 0.000 0.422 269 L N 5.920 127.168 121.223 0.042 0.000 2.346 269 L HA 0.770 5.079 4.340 -0.052 0.000 0.276 269 L C -0.519 176.477 176.870 0.210 0.000 1.006 269 L CA -0.579 54.340 54.840 0.132 0.000 0.817 269 L CB 1.905 44.091 42.059 0.212 0.000 1.272 269 L HN 0.395 nan 8.230 nan 0.000 0.421 270 V N 1.594 121.574 119.914 0.111 0.000 2.876 270 V HA 0.961 5.050 4.120 -0.052 0.000 0.312 270 V C -1.173 174.753 176.094 -0.280 0.000 1.085 270 V CA -0.292 61.979 62.300 -0.048 0.000 0.945 270 V CB 2.058 33.854 31.823 -0.044 0.000 1.017 270 V HN 0.895 nan 8.190 nan 0.000 0.428 271 A N 4.692 127.131 122.820 -0.635 0.000 2.374 271 A HA 1.028 5.317 4.320 -0.052 0.000 0.305 271 A C -0.520 176.855 177.584 -0.348 0.000 1.053 271 A CA 0.017 51.712 52.037 -0.570 0.000 0.726 271 A CB 1.678 20.090 19.000 -0.980 0.000 1.229 271 A HN 2.055 nan 8.150 nan 0.000 0.431 272 A N 2.261 124.965 122.820 -0.194 0.000 2.539 272 A HA 0.836 5.125 4.320 -0.052 0.000 0.296 272 A C -0.575 176.963 177.584 -0.076 0.000 1.073 272 A CA -0.734 51.232 52.037 -0.118 0.000 0.700 272 A CB 1.298 20.246 19.000 -0.086 0.000 1.296 272 A HN 0.802 nan 8.150 nan 0.000 0.405 273 R N 0.361 120.830 120.500 -0.051 0.000 2.393 273 R HA 0.580 4.889 4.340 -0.052 0.000 0.310 273 R C -1.581 174.709 176.300 -0.017 0.000 0.968 273 R CA -0.529 55.555 56.100 -0.027 0.000 0.867 273 R CB 1.329 31.618 30.300 -0.018 0.000 1.124 273 R HN 0.487 nan 8.270 nan 0.000 0.450 274 L N 3.242 124.462 121.223 -0.006 0.000 2.301 274 L HA 0.340 4.649 4.340 -0.052 0.000 0.278 274 L C 1.013 177.889 176.870 0.010 0.000 1.022 274 L CA 0.312 55.151 54.840 -0.000 0.000 0.854 274 L CB 1.422 43.480 42.059 -0.001 0.000 1.226 274 L HN 0.983 nan 8.230 nan 0.000 0.429 275 G N 2.351 111.154 108.800 0.006 0.000 2.602 275 G HA2 -0.430 3.499 3.960 -0.052 0.000 0.310 275 G HA3 -0.430 3.499 3.960 -0.052 0.000 0.310 275 G C 0.902 175.809 174.900 0.011 0.000 1.183 275 G CA 0.762 45.866 45.100 0.007 0.000 0.979 275 G HN 0.601 nan 8.290 nan 0.000 0.545 276 T N -1.705 112.859 114.554 0.017 0.000 3.057 276 T HA 0.363 4.682 4.350 -0.052 0.000 0.254 276 T C 1.114 175.844 174.700 0.049 0.000 1.094 276 T CA 1.607 63.720 62.100 0.022 0.000 1.088 276 T CB 0.024 68.895 68.868 0.005 0.000 0.934 276 T HN 0.787 nan 8.240 nan 0.000 0.497 277 T N 3.064 117.657 114.554 0.066 0.000 2.729 277 T HA 0.359 4.678 4.350 -0.052 0.000 0.296 277 T C -0.162 174.564 174.700 0.043 0.000 0.928 277 T CA -0.520 61.636 62.100 0.095 0.000 1.045 277 T CB 1.066 69.997 68.868 0.105 0.000 0.902 277 T HN 0.247 nan 8.240 nan 0.000 0.500 278 R N 3.749 124.273 120.500 0.040 0.000 2.221 278 R HA 0.490 4.799 4.340 -0.052 0.000 0.327 278 R C -0.752 175.540 176.300 -0.013 0.000 1.033 278 R CA -0.447 55.652 56.100 -0.001 0.000 0.887 278 R CB 0.296 30.593 30.300 -0.005 0.000 1.057 278 R HN 0.585 nan 8.270 nan 0.000 0.455 279 L N 5.378 126.579 121.223 -0.038 0.000 2.334 279 L HA 0.556 4.864 4.340 -0.052 0.000 0.273 279 L C -0.528 176.306 176.870 -0.060 0.000 1.013 279 L CA -0.969 53.846 54.840 -0.041 0.000 0.816 279 L CB 1.674 43.708 42.059 -0.041 0.000 1.278 279 L HN 0.458 nan 8.230 nan 0.000 0.431 280 L N 1.531 122.734 121.223 -0.034 0.000 2.370 280 L HA 0.653 4.962 4.340 -0.052 0.000 0.266 280 L C -1.231 175.637 176.870 -0.002 0.000 1.002 280 L CA -0.519 54.308 54.840 -0.022 0.000 0.818 280 L CB 2.224 44.305 42.059 0.035 0.000 1.325 280 L HN 0.546 nan 8.230 nan 0.000 0.418 281 D N 0.994 121.396 120.400 0.003 0.000 2.599 281 D HA 0.480 5.089 4.640 -0.052 0.000 0.252 281 D C -1.708 174.606 176.300 0.023 0.000 1.232 281 D CA -0.299 53.709 54.000 0.013 0.000 0.819 281 D CB 2.721 43.516 40.800 -0.008 0.000 1.401 281 D HN 0.701 nan 8.370 nan 0.000 0.429 282 N N 0.237 118.940 118.700 0.006 0.000 2.927 282 N HA 0.669 5.378 4.740 -0.052 0.000 0.248 282 N C -1.680 173.784 175.510 -0.076 0.000 1.443 282 N CA -0.760 52.267 53.050 -0.039 0.000 0.870 282 N CB 1.752 40.200 38.487 -0.065 0.000 1.444 282 N HN 0.394 nan 8.380 nan 0.000 0.519 283 I N -0.481 120.014 120.570 -0.125 0.000 2.841 283 I HA 0.654 4.793 4.170 -0.052 0.000 0.298 283 I C -0.920 175.099 176.117 -0.163 0.000 1.304 283 I CA -1.089 60.142 61.300 -0.116 0.000 1.019 283 I CB 2.070 40.029 38.000 -0.068 0.000 1.282 283 I HN 0.973 nan 8.210 nan 0.000 0.432 284 A N 7.270 130.005 122.820 -0.142 0.000 2.511 284 A HA 0.495 4.784 4.320 -0.052 0.000 0.242 284 A C -0.640 176.878 177.584 -0.109 0.000 1.069 284 A CA 0.318 52.279 52.037 -0.126 0.000 0.763 284 A CB -0.019 18.930 19.000 -0.084 0.000 1.001 284 A HN 0.483 nan 8.150 nan 0.000 0.498 285 I N 1.779 122.290 120.570 -0.100 0.000 2.533 285 I HA 0.337 4.476 4.170 -0.052 0.000 0.290 285 I C -0.645 175.428 176.117 -0.072 0.000 1.056 285 I CA -0.361 60.886 61.300 -0.089 0.000 1.057 285 I CB 2.077 40.033 38.000 -0.073 0.000 1.240 285 I HN 0.723 nan 8.210 nan 0.000 0.423 286 E N 5.681 125.835 120.200 -0.077 0.000 2.155 286 E HA 0.462 4.781 4.350 -0.052 0.000 0.264 286 E C -0.671 175.903 176.600 -0.043 0.000 0.886 286 E CA -0.489 55.879 56.400 -0.054 0.000 0.752 286 E CB 2.037 31.703 29.700 -0.055 0.000 1.133 286 E HN 0.275 nan 8.360 nan 0.000 0.414 287 I N 2.388 122.943 120.570 -0.026 0.000 2.371 287 I HA 0.272 4.411 4.170 -0.052 0.000 0.290 287 I C 1.344 177.460 176.117 -0.001 0.000 1.028 287 I CA 0.052 61.343 61.300 -0.014 0.000 1.345 287 I CB 0.443 38.436 38.000 -0.011 0.000 1.407 287 I HN 0.842 nan 8.210 nan 0.000 0.501 288 G N 4.611 113.416 108.800 0.008 0.000 2.221 288 G HA2 -0.222 3.706 3.960 -0.052 0.000 0.265 288 G HA3 -0.222 3.706 3.960 -0.052 0.000 0.265 288 G C 0.232 175.155 174.900 0.037 0.000 1.041 288 G CA 0.149 45.263 45.100 0.024 0.000 0.807 288 G HN 0.635 nan 8.290 nan 0.000 0.502 289 T N -0.251 114.326 114.554 0.038 0.000 3.031 289 T HA 0.482 4.801 4.350 -0.052 0.000 0.305 289 T C -0.260 174.486 174.700 0.076 0.000 0.985 289 T CA -0.501 61.634 62.100 0.058 0.000 1.008 289 T CB 1.434 70.318 68.868 0.026 0.000 1.005 289 T HN 0.452 nan 8.240 nan 0.000 0.444 290 F N 0.000 119.940 119.950 -0.016 0.000 2.286 290 F HA 0.000 4.496 4.527 -0.051 0.000 0.279 290 F CA 0.000 57.994 58.000 -0.010 0.000 1.383 290 F CB 0.000 39.004 39.000 0.006 0.000 1.145 290 F HN 0.000 nan 8.300 nan 0.000 0.574