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 2g5f_1_B DATA FIRST_RESID 17 DATA SEQUENCE SIPMPAGVNP ADLAAELAAV VTEXXDEDYL LYECDGQWVL AAGVQAMVEL DATA SEQUENCE DSDELRVIRX GVTRRQQWSG RPGAALGEAV DRLLLETDQA FGWVAFEFGV DATA SEQUENCE HRYGLQQRLA PHTPLARVFS PRTRIMVSEK EIRLFDAGIR HREAIDRLLA DATA SEQUENCE TGVREVPQSR SVDVSDDPSG FRRRVAVAVD EIAAGRYHKV ILSRCVEVPF DATA SEQUENCE AIDFPLTYRL GRRHNTPVRS FLLQLGGIRA LGYSPELVTA VRADGVVITE DATA SEQUENCE PLAGTRALGR GPAIDRLARD DLESNSKEIV EHAISVRSSL EEITDIAEPG DATA SEQUENCE SAAVIDFMTV RERGSVQHLG STIRARLDPS SDRMAALEAL FPAVTASGIP DATA SEQUENCE KAAGVEAIFR LDECPRGLYS GAVVMLSADG GLDAALTLRA AYQVGGRTWL DATA SEQUENCE RAGAGIIEES EPEREFEETC EKLSTLTPYL VAR 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 17 S HA 0.000 nan 4.470 nan 0.000 0.327 17 S C 0.000 174.572 174.600 -0.047 0.000 1.055 17 S CA 0.000 58.154 58.200 -0.076 0.000 1.107 17 S CB 0.000 63.139 63.200 -0.102 0.000 0.593 18 I N 3.208 123.755 120.570 -0.039 0.000 2.436 18 I HA 0.444 4.614 4.170 0.001 0.000 0.289 18 I C -3.032 173.074 176.117 -0.018 0.000 1.010 18 I CA -2.414 58.870 61.300 -0.026 0.000 1.098 18 I CB 2.166 40.151 38.000 -0.026 0.000 1.266 18 I HN -0.111 nan 8.210 nan 0.000 0.434 19 P HA 0.106 nan 4.420 nan 0.000 0.269 19 P C -0.310 176.984 177.300 -0.010 0.000 1.209 19 P CA -0.318 62.777 63.100 -0.008 0.000 0.776 19 P CB 0.428 32.123 31.700 -0.008 0.000 0.876 20 M N 4.473 124.069 119.600 -0.007 0.000 2.252 20 M HA 0.105 4.585 4.480 0.001 0.000 0.348 20 M C -1.789 174.501 176.300 -0.017 0.000 1.334 20 M CA -1.685 53.607 55.300 -0.013 0.000 1.071 20 M CB -0.602 31.993 32.600 -0.009 0.000 1.763 20 M HN 0.241 nan 8.290 nan 0.000 0.452 21 P HA 0.151 nan 4.420 nan 0.000 0.268 21 P C -0.835 176.451 177.300 -0.024 0.000 1.205 21 P CA -0.342 62.744 63.100 -0.024 0.000 0.771 21 P CB 0.219 31.902 31.700 -0.028 0.000 0.858 22 A N 2.490 125.298 122.820 -0.020 0.000 2.565 22 A HA 0.359 4.680 4.320 0.001 0.000 0.237 22 A C 1.573 179.143 177.584 -0.023 0.000 1.053 22 A CA 0.661 52.687 52.037 -0.019 0.000 0.755 22 A CB -1.370 17.621 19.000 -0.016 0.000 0.980 22 A HN 0.968 nan 8.150 nan 0.000 0.506 23 G N 0.862 109.648 108.800 -0.023 0.000 2.187 23 G HA2 -0.146 3.814 3.960 0.001 0.000 0.261 23 G HA3 -0.146 3.814 3.960 0.001 0.000 0.261 23 G C 0.126 175.004 174.900 -0.037 0.000 1.000 23 G CA 0.422 45.505 45.100 -0.028 0.000 0.718 23 G HN 1.486 nan 8.290 nan 0.000 0.519 24 V N 1.180 121.069 119.914 -0.041 0.000 2.398 24 V HA 0.390 4.510 4.120 0.001 0.000 0.286 24 V C 0.220 176.272 176.094 -0.069 0.000 1.026 24 V CA -1.382 60.883 62.300 -0.057 0.000 0.868 24 V CB 1.603 33.390 31.823 -0.059 0.000 0.982 24 V HN 0.308 nan 8.190 nan 0.000 0.443 25 N N 5.940 124.587 118.700 -0.089 0.000 2.530 25 N HA 0.228 4.968 4.740 0.001 0.000 0.273 25 N C -1.757 173.640 175.510 -0.187 0.000 1.173 25 N CA -1.386 51.600 53.050 -0.107 0.000 0.967 25 N CB 1.739 40.162 38.487 -0.106 0.000 1.109 25 N HN 0.304 nan 8.380 nan 0.000 0.453 26 P HA -0.151 nan 4.420 nan 0.000 0.216 26 P C 0.979 177.760 177.300 -0.864 0.000 1.153 26 P CA 1.608 64.462 63.100 -0.409 0.000 0.858 26 P CB 0.242 31.807 31.700 -0.224 0.000 0.789 27 A N 0.066 122.284 122.820 -1.003 0.000 1.892 27 A HA -0.265 4.055 4.320 0.001 0.000 0.218 27 A C 2.058 179.388 177.584 -0.423 0.000 1.188 27 A CA 2.305 53.797 52.037 -0.908 0.000 0.631 27 A CB -1.490 17.346 19.000 -0.273 0.000 0.822 27 A HN 0.131 nan 8.150 nan 0.000 0.447 28 D N -0.310 119.923 120.400 -0.278 0.000 2.117 28 D HA -0.116 4.524 4.640 0.001 0.000 0.198 28 D C 1.937 178.142 176.300 -0.159 0.000 0.982 28 D CA 0.919 54.824 54.000 -0.158 0.000 0.828 28 D CB -0.366 40.360 40.800 -0.123 0.000 0.967 28 D HN 0.317 nan 8.370 nan 0.000 0.464 29 L N 1.189 122.291 121.223 -0.202 0.000 2.046 29 L HA -0.108 4.232 4.340 0.001 0.000 0.208 29 L C 2.228 178.990 176.870 -0.179 0.000 1.077 29 L CA 1.503 56.246 54.840 -0.162 0.000 0.747 29 L CB -0.877 41.093 42.059 -0.148 0.000 0.896 29 L HN -0.105 nan 8.230 nan 0.000 0.432 30 A N 0.027 122.675 122.820 -0.287 0.000 1.858 30 A HA -0.167 4.154 4.320 0.001 0.000 0.216 30 A C 2.474 179.948 177.584 -0.183 0.000 1.190 30 A CA 2.061 53.941 52.037 -0.262 0.000 0.617 30 A CB -0.916 17.786 19.000 -0.498 0.000 0.827 30 A HN 0.552 nan 8.150 nan 0.000 0.443 31 A N -0.781 121.952 122.820 -0.145 0.000 1.933 31 A HA -0.121 4.200 4.320 0.001 0.000 0.218 31 A C 1.963 179.504 177.584 -0.072 0.000 1.175 31 A CA 2.098 54.098 52.037 -0.061 0.000 0.628 31 A CB -0.463 18.624 19.000 0.146 0.000 0.814 31 A HN 0.494 nan 8.150 nan 0.000 0.444 32 E N 0.114 120.272 120.200 -0.071 0.000 2.110 32 E HA -0.105 4.246 4.350 0.001 0.000 0.193 32 E C 1.867 178.416 176.600 -0.086 0.000 0.988 32 E CA 0.961 57.324 56.400 -0.062 0.000 0.804 32 E CB -0.360 29.305 29.700 -0.058 0.000 0.745 32 E HN 0.614 nan 8.360 nan 0.000 0.458 33 L N -0.364 120.796 121.223 -0.105 0.000 2.017 33 L HA -0.200 4.141 4.340 0.001 0.000 0.208 33 L C 2.437 179.208 176.870 -0.165 0.000 1.073 33 L CA 1.227 56.004 54.840 -0.105 0.000 0.745 33 L CB -0.602 41.401 42.059 -0.094 0.000 0.894 33 L HN 0.198 nan 8.230 nan 0.000 0.432 34 A N -0.086 122.575 122.820 -0.265 0.000 1.908 34 A HA -0.219 4.102 4.320 0.001 0.000 0.218 34 A C 2.491 179.805 177.584 -0.451 0.000 1.181 34 A CA 1.952 53.653 52.037 -0.560 0.000 0.627 34 A CB -0.696 17.848 19.000 -0.761 0.000 0.818 34 A HN 0.442 nan 8.150 nan 0.000 0.445 35 A N -0.682 122.009 122.820 -0.216 0.000 1.873 35 A HA 0.045 4.366 4.320 0.001 0.000 0.215 35 A C 2.219 179.766 177.584 -0.063 0.000 1.186 35 A CA 1.684 53.670 52.037 -0.086 0.000 0.616 35 A CB -0.978 18.010 19.000 -0.020 0.000 0.823 35 A HN 0.416 nan 8.150 nan 0.000 0.442 36 V N 0.579 120.454 119.914 -0.065 0.000 2.343 36 V HA -0.212 3.908 4.120 0.001 0.000 0.247 36 V C 2.382 178.451 176.094 -0.041 0.000 1.051 36 V CA 1.935 64.210 62.300 -0.042 0.000 1.036 36 V CB -0.892 30.909 31.823 -0.038 0.000 0.654 36 V HN 0.627 nan 8.190 nan 0.000 0.451 37 V N -0.723 119.158 119.914 -0.054 0.000 3.602 37 V HA 0.117 4.238 4.120 0.001 0.000 0.289 37 V C 1.336 177.414 176.094 -0.027 0.000 1.265 37 V CA 1.462 63.743 62.300 -0.030 0.000 1.202 37 V CB -1.048 30.800 31.823 0.042 0.000 1.012 37 V HN 0.698 nan 8.190 nan 0.000 0.431 38 T N -5.112 109.428 114.554 -0.023 0.000 3.080 38 T HA 0.421 4.772 4.350 0.001 0.000 0.280 38 T C 0.637 175.352 174.700 0.025 0.000 0.926 38 T CA 0.692 62.806 62.100 0.024 0.000 0.883 38 T CB -0.139 68.783 68.868 0.089 0.000 1.194 38 T HN 0.912 nan 8.240 nan 0.000 0.541 43 E N 0.864 121.095 120.200 0.051 0.000 2.372 43 E HA 0.324 4.674 4.350 0.001 0.000 0.279 43 E C -1.545 175.098 176.600 0.073 0.000 0.946 43 E CA -0.562 55.870 56.400 0.053 0.000 0.769 43 E CB 1.945 31.690 29.700 0.075 0.000 1.230 43 E HN 0.128 nan 8.360 nan 0.000 0.442 44 D N 1.705 122.092 120.400 -0.021 0.000 2.329 44 D HA 0.368 5.008 4.640 0.001 0.000 0.246 44 D C -0.786 175.489 176.300 -0.042 0.000 1.111 44 D CA 0.629 54.542 54.000 -0.146 0.000 0.941 44 D CB 0.695 41.316 40.800 -0.297 0.000 1.169 44 D HN 0.399 nan 8.370 nan 0.000 0.441 45 Y N -1.344 118.875 120.300 -0.134 0.000 2.741 45 Y HA 0.598 5.148 4.550 0.001 0.000 0.339 45 Y C -2.209 173.732 175.900 0.069 0.000 1.226 45 Y CA -1.362 56.730 58.100 -0.014 0.000 1.072 45 Y CB 1.038 39.507 38.460 0.016 0.000 1.331 45 Y HN 0.300 nan 8.280 nan 0.000 0.453 46 L N 2.874 124.336 121.223 0.398 0.000 2.516 46 L HA 0.640 4.981 4.340 0.001 0.000 0.267 46 L C -2.132 174.880 176.870 0.236 0.000 0.957 46 L CA -0.994 54.024 54.840 0.297 0.000 0.860 46 L CB 1.801 44.065 42.059 0.340 0.000 1.265 46 L HN 0.845 nan 8.230 nan 0.000 0.403 47 L N 5.180 126.574 121.223 0.285 0.000 2.272 47 L HA 0.493 4.833 4.340 0.001 0.000 0.289 47 L C -1.667 175.393 176.870 0.316 0.000 1.032 47 L CA 0.085 55.053 54.840 0.214 0.000 0.810 47 L CB 1.214 43.344 42.059 0.118 0.000 1.205 47 L HN 0.591 nan 8.230 nan 0.000 0.422 48 Y N 4.160 124.544 120.300 0.140 0.000 2.361 48 Y HA 0.446 4.996 4.550 0.001 0.000 0.337 48 Y C -0.564 175.377 175.900 0.069 0.000 0.965 48 Y CA -0.634 57.562 58.100 0.160 0.000 1.091 48 Y CB 1.430 40.005 38.460 0.191 0.000 1.182 48 Y HN 0.688 nan 8.280 nan 0.000 0.450 49 E N 5.250 125.195 120.200 -0.425 0.000 2.166 49 E HA 0.412 4.763 4.350 0.001 0.000 0.275 49 E C -1.608 174.573 176.600 -0.699 0.000 0.941 49 E CA -0.647 55.313 56.400 -0.733 0.000 0.784 49 E CB 1.020 30.138 29.700 -0.970 0.000 1.115 49 E HN 0.744 nan 8.360 nan 0.000 0.399 50 C N 4.989 123.983 119.300 -0.509 0.000 2.409 50 C HA 0.189 4.650 4.460 0.001 0.000 0.297 50 C C -0.435 174.376 174.990 -0.299 0.000 1.083 50 C CA -0.810 58.016 59.018 -0.321 0.000 1.515 50 C CB -0.652 27.011 27.740 -0.129 0.000 1.869 50 C HN 0.849 nan 8.230 nan 0.000 0.413 51 D N 2.098 122.318 120.400 -0.300 0.000 2.971 51 D HA -0.166 4.474 4.640 0.001 0.000 0.212 51 D C 1.258 177.404 176.300 -0.257 0.000 1.243 51 D CA 2.127 55.986 54.000 -0.235 0.000 0.781 51 D CB -0.613 40.114 40.800 -0.121 0.000 0.894 51 D HN 1.266 nan 8.370 nan 0.000 0.392 52 G N 1.674 110.200 108.800 -0.458 0.000 2.195 52 G HA2 -0.331 3.629 3.960 0.001 0.000 0.246 52 G HA3 -0.331 3.629 3.960 0.001 0.000 0.246 52 G C 0.192 174.954 174.900 -0.231 0.000 0.984 52 G CA 0.691 45.607 45.100 -0.307 0.000 0.633 52 G HN 0.713 nan 8.290 nan 0.000 0.525 53 Q N 0.489 120.070 119.800 -0.365 0.000 2.327 53 Q HA 0.592 4.932 4.340 0.001 0.000 0.270 53 Q C -0.611 175.307 176.000 -0.138 0.000 1.022 53 Q CA -0.927 54.839 55.803 -0.062 0.000 0.773 53 Q CB 0.575 29.306 28.738 -0.010 0.000 1.251 53 Q HN 0.322 nan 8.270 nan 0.000 0.457 54 W N 3.638 124.979 121.300 0.069 0.000 2.496 54 W HA 0.682 5.343 4.660 0.001 0.000 0.327 54 W C -0.762 175.809 176.519 0.086 0.000 1.086 54 W CA -1.000 56.391 57.345 0.076 0.000 1.222 54 W CB 2.021 31.521 29.460 0.067 0.000 1.304 54 W HN 0.420 nan 8.180 nan 0.000 0.547 55 V N 6.402 126.495 119.914 0.298 0.000 2.525 55 V HA 0.397 4.517 4.120 0.001 0.000 0.299 55 V C -1.400 174.733 176.094 0.066 0.000 1.034 55 V CA -0.805 61.602 62.300 0.179 0.000 0.863 55 V CB 1.466 33.403 31.823 0.190 0.000 0.999 55 V HN 0.355 nan 8.190 nan 0.000 0.423 56 L N 7.631 128.872 121.223 0.030 0.000 2.264 56 L HA 0.841 5.181 4.340 0.001 0.000 0.287 56 L C 0.391 177.197 176.870 -0.105 0.000 1.039 56 L CA 0.033 54.860 54.840 -0.022 0.000 0.829 56 L CB 0.997 43.048 42.059 -0.014 0.000 1.211 56 L HN 0.809 nan 8.230 nan 0.000 0.427 57 A N 5.194 127.878 122.820 -0.227 0.000 2.391 57 A HA 0.785 5.105 4.320 0.001 0.000 0.316 57 A C 0.046 177.720 177.584 0.150 0.000 1.381 57 A CA 0.009 51.912 52.037 -0.224 0.000 0.998 57 A CB -0.132 18.405 19.000 -0.773 0.000 1.147 57 A HN 0.969 nan 8.150 nan 0.000 0.545 58 A N 2.548 125.448 122.820 0.133 0.000 2.304 58 A HA 0.857 5.177 4.320 0.001 0.000 0.323 58 A C 0.673 178.386 177.584 0.216 0.000 1.195 58 A CA 0.145 52.298 52.037 0.194 0.000 0.826 58 A CB 0.347 19.420 19.000 0.122 0.000 1.184 58 A HN 2.746 nan 8.150 nan 0.000 0.496 59 G N -0.152 108.763 108.800 0.193 0.000 2.731 59 G HA2 0.166 4.126 3.960 0.001 0.000 0.686 59 G HA3 0.166 4.126 3.960 0.001 0.000 0.686 59 G C -0.678 174.301 174.900 0.132 0.000 1.395 59 G CA -0.375 44.807 45.100 0.138 0.000 0.870 59 G HN 1.626 nan 8.290 nan 0.000 0.591 60 V N 2.753 122.696 119.914 0.048 0.000 2.347 60 V HA 0.414 4.535 4.120 0.001 0.000 0.280 60 V C 1.331 177.498 176.094 0.122 0.000 1.021 60 V CA 0.497 62.846 62.300 0.081 0.000 0.847 60 V CB 1.306 33.080 31.823 -0.081 0.000 0.990 60 V HN 0.975 nan 8.190 nan 0.000 0.444 61 Q N 3.942 123.850 119.800 0.181 0.000 2.123 61 Q HA 0.307 4.647 4.340 0.001 0.000 0.196 61 Q C 0.633 176.688 176.000 0.091 0.000 0.958 61 Q CA 1.180 57.054 55.803 0.118 0.000 0.841 61 Q CB 0.526 29.331 28.738 0.112 0.000 0.915 61 Q HN 0.886 nan 8.270 nan 0.000 0.455 62 A N 0.563 123.454 122.820 0.117 0.000 2.547 62 A HA 0.608 4.928 4.320 0.001 0.000 0.297 62 A C -1.566 176.086 177.584 0.114 0.000 1.056 62 A CA -0.692 51.392 52.037 0.078 0.000 0.688 62 A CB 1.566 20.592 19.000 0.044 0.000 1.282 62 A HN 0.288 nan 8.150 nan 0.000 0.400 63 M N 2.617 122.257 119.600 0.066 0.000 2.326 63 M HA 0.658 5.138 4.480 0.001 0.000 0.306 63 M C -1.932 174.369 176.300 0.003 0.000 1.054 63 M CA -0.356 54.983 55.300 0.064 0.000 0.922 63 M CB 1.950 34.563 32.600 0.021 0.000 1.632 63 M HN 0.415 nan 8.290 nan 0.000 0.436 64 V N 4.991 124.890 119.914 -0.025 0.000 2.370 64 V HA 0.468 4.588 4.120 0.001 0.000 0.283 64 V C -0.673 175.345 176.094 -0.126 0.000 1.023 64 V CA -0.493 61.757 62.300 -0.083 0.000 0.857 64 V CB 1.444 33.195 31.823 -0.119 0.000 0.985 64 V HN 0.833 nan 8.190 nan 0.000 0.443 65 E N 4.706 124.836 120.200 -0.117 0.000 2.155 65 E HA 0.447 4.797 4.350 0.001 0.000 0.264 65 E C -1.203 175.307 176.600 -0.150 0.000 0.886 65 E CA -0.827 55.490 56.400 -0.138 0.000 0.752 65 E CB 2.604 32.258 29.700 -0.075 0.000 1.133 65 E HN 0.406 nan 8.360 nan 0.000 0.414 66 L N 3.583 124.673 121.223 -0.222 0.000 2.280 66 L HA 0.399 4.739 4.340 0.001 0.000 0.287 66 L C -0.960 175.839 176.870 -0.118 0.000 1.023 66 L CA -0.174 54.514 54.840 -0.254 0.000 0.819 66 L CB 0.814 42.629 42.059 -0.407 0.000 1.212 66 L HN 0.367 nan 8.230 nan 0.000 0.420 67 D N 1.049 121.474 120.400 0.042 0.000 2.449 67 D HA 0.372 5.012 4.640 0.001 0.000 0.250 67 D C 0.968 177.505 176.300 0.396 0.000 1.050 67 D CA 0.194 54.308 54.000 0.191 0.000 1.024 67 D CB 2.014 42.946 40.800 0.220 0.000 1.218 67 D HN 0.564 nan 8.370 nan 0.000 0.566 68 S N -0.327 115.602 115.700 0.382 0.000 2.419 68 S HA -0.188 4.282 4.470 0.001 0.000 0.233 68 S C 0.706 175.523 174.600 0.362 0.000 1.016 68 S CA 1.212 59.689 58.200 0.461 0.000 0.974 68 S CB -0.205 63.165 63.200 0.284 0.000 0.786 68 S HN 0.548 nan 8.310 nan 0.000 0.492 69 D N -0.285 120.277 120.400 0.270 0.000 2.535 69 D HA 0.364 5.004 4.640 0.001 0.000 0.229 69 D C 0.018 176.421 176.300 0.172 0.000 1.238 69 D CA -0.358 53.698 54.000 0.093 0.000 0.824 69 D CB -0.085 40.711 40.800 -0.005 0.000 1.045 69 D HN 0.649 nan 8.370 nan 0.000 0.500 70 E N -0.189 120.260 120.200 0.415 0.000 2.389 70 E HA 0.354 4.704 4.350 0.001 0.000 0.281 70 E C -2.086 174.732 176.600 0.363 0.000 1.072 70 E CA -0.852 55.771 56.400 0.371 0.000 0.845 70 E CB 1.478 31.311 29.700 0.221 0.000 1.239 70 E HN 0.069 nan 8.360 nan 0.000 0.434 71 L N 3.591 124.971 121.223 0.262 0.000 2.356 71 L HA 0.669 5.009 4.340 0.001 0.000 0.277 71 L C -1.147 175.748 176.870 0.041 0.000 0.996 71 L CA -0.555 54.322 54.840 0.061 0.000 0.822 71 L CB 1.088 43.153 42.059 0.009 0.000 1.256 71 L HN 0.555 nan 8.230 nan 0.000 0.413 72 R N 3.762 124.261 120.500 -0.002 0.000 2.637 72 R HA 0.712 5.052 4.340 0.001 0.000 0.291 72 R C -1.497 174.789 176.300 -0.023 0.000 0.963 72 R CA -0.839 55.261 56.100 0.000 0.000 0.901 72 R CB 2.668 32.971 30.300 0.006 0.000 1.160 72 R HN 0.370 nan 8.270 nan 0.000 0.457 73 V N 5.004 124.910 119.914 -0.012 0.000 2.409 73 V HA 0.427 4.548 4.120 0.001 0.000 0.290 73 V C -0.347 175.743 176.094 -0.005 0.000 1.017 73 V CA -0.579 61.712 62.300 -0.016 0.000 0.841 73 V CB 1.564 33.378 31.823 -0.016 0.000 1.003 73 V HN 0.603 nan 8.190 nan 0.000 0.426 74 I N 5.341 125.909 120.570 -0.004 0.000 2.404 74 I HA 0.717 4.888 4.170 0.001 0.000 0.293 74 I C 0.053 176.176 176.117 0.009 0.000 0.992 74 I CA -0.467 60.834 61.300 0.001 0.000 1.149 74 I CB 1.762 39.759 38.000 -0.004 0.000 1.315 74 I HN 0.620 nan 8.210 nan 0.000 0.446 78 V N 1.949 121.867 119.914 0.007 0.000 2.529 78 V HA 0.426 4.546 4.120 0.001 0.000 0.292 78 V C 0.210 176.307 176.094 0.006 0.000 1.028 78 V CA 0.416 62.720 62.300 0.006 0.000 1.074 78 V CB 0.909 32.736 31.823 0.007 0.000 0.958 78 V HN 0.568 nan 8.190 nan 0.000 0.481 79 T N 5.528 120.085 114.554 0.006 0.000 2.770 79 T HA 0.555 4.905 4.350 0.001 0.000 0.297 79 T C 0.376 175.081 174.700 0.009 0.000 0.997 79 T CA -0.380 61.724 62.100 0.006 0.000 0.949 79 T CB 0.749 69.620 68.868 0.005 0.000 0.941 79 T HN 0.857 nan 8.240 nan 0.000 0.457 80 R N 3.438 123.943 120.500 0.009 0.000 2.229 80 R HA 0.605 4.946 4.340 0.001 0.000 0.332 80 R C 0.129 176.440 176.300 0.018 0.000 0.989 80 R CA -0.942 55.165 56.100 0.012 0.000 0.842 80 R CB -0.023 30.282 30.300 0.009 0.000 1.119 80 R HN 0.878 nan 8.270 nan 0.000 0.456 81 R N 0.916 121.432 120.500 0.026 0.000 2.604 81 R HA 0.651 4.991 4.340 0.001 0.000 0.287 81 R C -0.694 175.636 176.300 0.049 0.000 0.970 81 R CA -0.776 55.349 56.100 0.041 0.000 0.946 81 R CB 1.373 31.701 30.300 0.046 0.000 1.127 81 R HN 0.802 nan 8.270 nan 0.000 0.473 82 Q N 0.730 120.573 119.800 0.072 0.000 2.522 82 Q HA 0.282 4.622 4.340 0.001 0.000 0.285 82 Q C -1.274 174.803 176.000 0.128 0.000 0.982 82 Q CA -1.302 54.549 55.803 0.081 0.000 0.805 82 Q CB 1.611 30.391 28.738 0.071 0.000 1.457 82 Q HN 0.429 nan 8.270 nan 0.000 0.394 83 Q N 1.460 121.319 119.800 0.099 0.000 2.259 83 Q HA 0.363 4.703 4.340 0.001 0.000 0.246 83 Q C -0.792 175.299 176.000 0.151 0.000 0.920 83 Q CA -0.128 55.726 55.803 0.085 0.000 0.895 83 Q CB 1.398 30.133 28.738 -0.005 0.000 1.220 83 Q HN 0.763 nan 8.270 nan 0.000 0.439 84 W N 0.214 121.510 121.300 -0.005 0.000 2.820 84 W HA 0.721 5.381 4.660 0.001 0.000 0.350 84 W C -0.846 175.665 176.519 -0.014 0.000 1.116 84 W CA -1.102 56.234 57.345 -0.015 0.000 1.146 84 W CB 0.656 30.102 29.460 -0.024 0.000 1.433 84 W HN 0.612 nan 8.180 nan 0.000 0.561 85 S N 0.346 116.121 115.700 0.124 0.000 2.638 85 S HA 0.860 5.330 4.470 0.001 0.000 0.274 85 S C -0.026 174.654 174.600 0.134 0.000 1.157 85 S CA -0.050 58.109 58.200 -0.067 0.000 0.826 85 S CB 1.515 64.673 63.200 -0.070 0.000 1.139 85 S HN 2.125 nan 8.310 nan 0.000 0.474 86 G N 1.152 109.982 108.800 0.049 0.000 2.568 86 G HA2 -0.120 3.840 3.960 0.001 0.000 0.222 86 G HA3 -0.120 3.840 3.960 0.001 0.000 0.222 86 G C -0.901 174.105 174.900 0.177 0.000 1.321 86 G CA -0.606 44.548 45.100 0.091 0.000 0.893 86 G HN 0.928 nan 8.290 nan 0.000 0.569 87 R N 1.627 122.191 120.500 0.106 0.000 2.438 87 R HA 0.304 4.644 4.340 0.001 0.000 0.287 87 R C -1.020 175.282 176.300 0.002 0.000 1.077 87 R CA -0.962 55.163 56.100 0.041 0.000 1.034 87 R CB 1.180 31.449 30.300 -0.052 0.000 0.993 87 R HN 0.424 nan 8.270 nan 0.000 0.459 88 P HA -0.175 nan 4.420 nan 0.000 0.218 88 P C 1.123 178.224 177.300 -0.332 0.000 1.148 88 P CA 1.453 64.201 63.100 -0.586 0.000 0.822 88 P CB 0.162 31.271 31.700 -0.986 0.000 0.784 89 G N 0.532 109.182 108.800 -0.250 0.000 2.402 89 G HA2 -0.182 3.778 3.960 0.001 0.000 0.216 89 G HA3 -0.182 3.778 3.960 0.001 0.000 0.216 89 G C 1.839 176.703 174.900 -0.061 0.000 1.162 89 G CA 1.007 46.111 45.100 0.006 0.000 0.777 89 G HN 0.366 nan 8.290 nan 0.000 0.539 90 A N 1.235 124.008 122.820 -0.078 0.000 1.873 90 A HA 0.296 4.616 4.320 0.001 0.000 0.215 90 A C 2.835 180.373 177.584 -0.077 0.000 1.186 90 A CA 2.232 54.234 52.037 -0.058 0.000 0.616 90 A CB -0.876 18.109 19.000 -0.025 0.000 0.823 90 A HN 0.760 nan 8.150 nan 0.000 0.442 91 A N -0.437 122.318 122.820 -0.108 0.000 1.865 91 A HA -0.090 4.231 4.320 0.001 0.000 0.217 91 A C 2.173 179.628 177.584 -0.214 0.000 1.191 91 A CA 1.876 53.819 52.037 -0.157 0.000 0.623 91 A CB -0.724 18.085 19.000 -0.318 0.000 0.826 91 A HN 0.709 nan 8.150 nan 0.000 0.444 92 L N 0.031 121.100 121.223 -0.256 0.000 2.056 92 L HA 0.011 4.351 4.340 0.001 0.000 0.207 92 L C 2.436 179.194 176.870 -0.186 0.000 1.078 92 L CA 2.322 57.016 54.840 -0.243 0.000 0.749 92 L CB -1.121 40.787 42.059 -0.252 0.000 0.901 92 L HN 0.316 nan 8.230 nan 0.000 0.433 93 G N -1.084 107.628 108.800 -0.147 0.000 2.446 93 G HA2 -0.359 3.602 3.960 0.001 0.000 0.217 93 G HA3 -0.359 3.602 3.960 0.001 0.000 0.217 93 G C 1.491 176.324 174.900 -0.111 0.000 1.168 93 G CA 0.866 45.890 45.100 -0.126 0.000 0.771 93 G HN 0.560 nan 8.290 nan 0.000 0.551 94 E N 0.463 120.606 120.200 -0.094 0.000 2.058 94 E HA -0.082 4.268 4.350 0.001 0.000 0.194 94 E C 2.761 179.312 176.600 -0.082 0.000 0.997 94 E CA 1.149 57.504 56.400 -0.075 0.000 0.801 94 E CB -0.276 29.391 29.700 -0.055 0.000 0.746 94 E HN 0.349 nan 8.360 nan 0.000 0.450 95 A N 0.413 123.174 122.820 -0.099 0.000 1.898 95 A HA -0.109 4.212 4.320 0.001 0.000 0.216 95 A C 2.398 179.918 177.584 -0.106 0.000 1.181 95 A CA 1.376 53.354 52.037 -0.097 0.000 0.620 95 A CB -0.572 18.359 19.000 -0.116 0.000 0.819 95 A HN 0.233 nan 8.150 nan 0.000 0.442 96 V N 0.735 120.569 119.914 -0.133 0.000 2.427 96 V HA -0.213 3.908 4.120 0.001 0.000 0.248 96 V C 2.024 178.041 176.094 -0.129 0.000 1.051 96 V CA 2.140 64.352 62.300 -0.146 0.000 1.048 96 V CB -0.809 30.902 31.823 -0.187 0.000 0.666 96 V HN 0.484 nan 8.190 nan 0.000 0.456 97 D N 0.011 120.343 120.400 -0.113 0.000 2.149 97 D HA -0.144 4.496 4.640 0.001 0.000 0.198 97 D C 2.391 178.642 176.300 -0.082 0.000 0.990 97 D CA 1.072 55.014 54.000 -0.097 0.000 0.839 97 D CB -0.239 40.511 40.800 -0.082 0.000 0.948 97 D HN 0.392 nan 8.370 nan 0.000 0.460 98 R N 0.105 120.561 120.500 -0.073 0.000 2.081 98 R HA -0.018 4.322 4.340 0.001 0.000 0.235 98 R C 2.539 178.804 176.300 -0.057 0.000 1.131 98 R CA 0.539 56.605 56.100 -0.057 0.000 0.960 98 R CB -0.328 29.943 30.300 -0.048 0.000 0.856 98 R HN 0.248 nan 8.270 nan 0.000 0.436 99 L N 0.641 121.822 121.223 -0.070 0.000 2.046 99 L HA -0.173 4.167 4.340 0.001 0.000 0.208 99 L C 2.048 178.873 176.870 -0.076 0.000 1.077 99 L CA 1.165 55.965 54.840 -0.067 0.000 0.747 99 L CB -0.386 41.623 42.059 -0.084 0.000 0.896 99 L HN 0.204 nan 8.230 nan 0.000 0.432 100 L N -0.265 120.900 121.223 -0.098 0.000 2.650 100 L HA -0.081 4.260 4.340 0.001 0.000 0.235 100 L C 1.991 178.814 176.870 -0.078 0.000 1.149 100 L CA 0.102 54.880 54.840 -0.104 0.000 0.887 100 L CB -0.190 41.791 42.059 -0.130 0.000 1.021 100 L HN 0.311 nan 8.230 nan 0.000 0.441 101 L N -0.266 120.921 121.223 -0.060 0.000 2.307 101 L HA -0.037 4.303 4.340 0.001 0.000 0.211 101 L C 2.902 179.750 176.870 -0.037 0.000 1.099 101 L CA 0.973 55.785 54.840 -0.046 0.000 0.816 101 L CB -0.426 41.610 42.059 -0.038 0.000 0.952 101 L HN 0.374 nan 8.230 nan 0.000 0.455 102 E N -0.689 119.490 120.200 -0.035 0.000 2.276 102 E HA 0.038 4.389 4.350 0.001 0.000 0.193 102 E C 1.169 177.755 176.600 -0.023 0.000 0.983 102 E CA 1.013 57.401 56.400 -0.021 0.000 0.861 102 E CB 0.361 30.054 29.700 -0.011 0.000 0.817 102 E HN 0.255 nan 8.360 nan 0.000 0.485 103 T N -0.828 113.701 114.554 -0.042 0.000 2.841 103 T HA 0.305 4.655 4.350 0.001 0.000 0.296 103 T C -0.685 173.964 174.700 -0.086 0.000 1.166 103 T CA 0.151 62.221 62.100 -0.051 0.000 1.007 103 T CB 1.751 70.597 68.868 -0.036 0.000 1.253 103 T HN 0.230 nan 8.240 nan 0.000 0.511 104 D N 0.613 120.949 120.400 -0.106 0.000 2.354 104 D HA 0.060 4.700 4.640 0.001 0.000 0.209 104 D C 0.171 176.356 176.300 -0.192 0.000 1.015 104 D CA 0.226 54.144 54.000 -0.137 0.000 0.867 104 D CB 0.733 41.452 40.800 -0.135 0.000 0.933 104 D HN 0.497 nan 8.370 nan 0.000 0.520 105 Q N -0.092 119.578 119.800 -0.217 0.000 2.389 105 Q HA 0.683 5.024 4.340 0.001 0.000 0.277 105 Q C -1.405 174.306 176.000 -0.482 0.000 1.082 105 Q CA -0.931 54.640 55.803 -0.387 0.000 0.810 105 Q CB 2.933 31.445 28.738 -0.375 0.000 1.374 105 Q HN 0.157 nan 8.270 nan 0.000 0.422 106 A N 1.753 124.108 122.820 -0.775 0.000 2.454 106 A HA 0.932 5.252 4.320 0.001 0.000 0.302 106 A C -1.594 175.331 177.584 -1.098 0.000 1.079 106 A CA -0.439 51.187 52.037 -0.686 0.000 0.731 106 A CB 1.060 19.805 19.000 -0.425 0.000 1.299 106 A HN 0.578 nan 8.150 nan 0.000 0.413 107 F N -0.137 119.441 119.950 -0.620 0.000 2.613 107 F HA 0.835 5.362 4.527 0.001 0.000 0.314 107 F C 0.758 176.339 175.800 -0.364 0.000 1.075 107 F CA 0.324 58.005 58.000 -0.531 0.000 0.945 107 F CB 2.687 41.354 39.000 -0.555 0.000 1.310 107 F HN 1.145 nan 8.300 nan 0.000 0.467 108 G N -0.074 108.728 108.800 0.003 0.000 2.360 108 G HA2 0.352 4.312 3.960 0.001 0.000 0.276 108 G HA3 0.352 4.312 3.960 0.001 0.000 0.276 108 G C -2.522 172.422 174.900 0.072 0.000 1.256 108 G CA -0.767 44.382 45.100 0.083 0.000 0.890 108 G HN 0.926 nan 8.290 nan 0.000 0.486 109 W N -0.603 120.626 121.300 -0.119 0.000 3.083 109 W HA 0.767 5.428 4.660 0.001 0.000 0.333 109 W C -1.712 174.700 176.519 -0.178 0.000 1.217 109 W CA -1.345 55.906 57.345 -0.157 0.000 1.170 109 W CB 1.185 30.568 29.460 -0.128 0.000 1.437 109 W HN 0.593 nan 8.180 nan 0.000 0.557 110 V N 2.219 122.173 119.914 0.067 0.000 2.540 110 V HA 0.629 4.749 4.120 0.001 0.000 0.302 110 V C 0.440 176.720 176.094 0.310 0.000 1.035 110 V CA -0.762 61.434 62.300 -0.174 0.000 0.873 110 V CB 0.913 32.377 31.823 -0.599 0.000 0.992 110 V HN 0.773 nan 8.190 nan 0.000 0.428 111 A N 3.199 126.222 122.820 0.339 0.000 2.304 111 A HA 0.524 4.844 4.320 0.001 0.000 0.271 111 A C 0.699 178.658 177.584 0.625 0.000 1.091 111 A CA -0.197 52.191 52.037 0.585 0.000 0.812 111 A CB 0.108 19.454 19.000 0.578 0.000 1.056 111 A HN 0.928 nan 8.150 nan 0.000 0.489 112 F N 0.770 120.966 119.950 0.410 0.000 2.154 112 F HA -0.189 4.338 4.527 0.001 0.000 0.301 112 F C 1.731 177.764 175.800 0.389 0.000 1.087 112 F CA 2.557 60.752 58.000 0.325 0.000 1.274 112 F CB -0.107 38.970 39.000 0.129 0.000 1.009 112 F HN 0.712 nan 8.300 nan 0.000 0.485 113 E N -0.150 120.282 120.200 0.387 0.000 2.331 113 E HA -0.210 4.140 4.350 0.001 0.000 0.199 113 E C 1.808 178.601 176.600 0.322 0.000 1.008 113 E CA 1.025 57.604 56.400 0.298 0.000 0.843 113 E CB -0.827 29.112 29.700 0.399 0.000 0.761 113 E HN 0.588 nan 8.360 nan 0.000 0.507 114 F N 0.057 120.113 119.950 0.177 0.000 2.269 114 F HA -0.042 4.485 4.527 0.001 0.000 0.301 114 F C 1.922 177.778 175.800 0.094 0.000 1.082 114 F CA 1.521 59.542 58.000 0.035 0.000 1.360 114 F CB -0.089 38.793 39.000 -0.196 0.000 1.041 114 F HN 0.045 nan 8.300 nan 0.000 0.512 115 G N -0.564 108.381 108.800 0.241 0.000 3.141 115 G HA2 0.089 4.049 3.960 0.001 0.000 0.218 115 G HA3 0.089 4.049 3.960 0.001 0.000 0.218 115 G C 1.366 176.280 174.900 0.024 0.000 1.170 115 G CA 0.647 45.819 45.100 0.121 0.000 0.769 115 G HN 0.428 nan 8.290 nan 0.000 0.546 116 V N -2.704 117.270 119.914 0.100 0.000 3.052 116 V HA 0.056 4.176 4.120 0.001 0.000 0.254 116 V C 2.156 178.295 176.094 0.075 0.000 1.100 116 V CA 1.183 63.576 62.300 0.155 0.000 1.112 116 V CB -0.804 31.163 31.823 0.239 0.000 0.738 116 V HN 0.266 nan 8.190 nan 0.000 0.469 117 H N 2.561 121.599 119.070 -0.054 0.000 2.387 117 H HA -0.080 4.476 4.556 0.001 0.000 0.299 117 H C 2.418 177.659 175.328 -0.144 0.000 1.090 117 H CA 2.319 58.324 56.048 -0.072 0.000 1.332 117 H CB -0.423 29.289 29.762 -0.084 0.000 1.386 117 H HN 0.601 nan 8.280 nan 0.000 0.516 118 R N 0.061 120.456 120.500 -0.174 0.000 2.193 118 R HA -0.142 4.198 4.340 0.001 0.000 0.229 118 R C 0.486 176.530 176.300 -0.427 0.000 1.110 118 R CA 1.458 57.336 56.100 -0.369 0.000 0.988 118 R CB -0.362 29.587 30.300 -0.584 0.000 0.871 118 R HN 0.342 nan 8.270 nan 0.000 0.458 119 Y N 0.392 120.706 120.300 0.022 0.000 2.555 119 Y HA 0.382 4.932 4.550 0.001 0.000 0.259 119 Y C 1.302 177.209 175.900 0.012 0.000 1.179 119 Y CA -0.523 57.590 58.100 0.022 0.000 1.230 119 Y CB 0.621 39.102 38.460 0.036 0.000 1.146 119 Y HN 0.323 nan 8.280 nan 0.000 0.526 120 G N 1.017 109.859 108.800 0.070 0.000 2.249 120 G HA2 -0.295 3.666 3.960 0.001 0.000 0.273 120 G HA3 -0.295 3.666 3.960 0.001 0.000 0.273 120 G C 0.450 175.355 174.900 0.008 0.000 1.036 120 G CA 0.667 45.780 45.100 0.022 0.000 0.824 120 G HN 0.489 nan 8.290 nan 0.000 0.504 121 L N -0.790 120.449 121.223 0.027 0.000 2.818 121 L HA 0.175 4.515 4.340 0.001 0.000 0.243 121 L C 2.297 179.093 176.870 -0.123 0.000 1.185 121 L CA 0.072 54.911 54.840 -0.002 0.000 0.988 121 L CB 0.250 42.424 42.059 0.192 0.000 1.292 121 L HN 0.175 nan 8.230 nan 0.000 0.519 122 Q N 0.546 120.217 119.800 -0.214 0.000 2.152 122 Q HA -0.252 4.088 4.340 0.001 0.000 0.206 122 Q C 2.564 178.436 176.000 -0.213 0.000 0.985 122 Q CA 2.238 57.841 55.803 -0.332 0.000 0.863 122 Q CB -0.695 27.777 28.738 -0.443 0.000 0.904 122 Q HN 0.646 nan 8.270 nan 0.000 0.422 123 Q N 0.883 120.572 119.800 -0.185 0.000 2.364 123 Q HA -0.083 4.258 4.340 0.001 0.000 0.209 123 Q C 1.770 177.649 176.000 -0.200 0.000 0.977 123 Q CA 1.295 57.001 55.803 -0.162 0.000 0.885 123 Q CB -0.529 28.129 28.738 -0.132 0.000 0.941 123 Q HN 0.241 nan 8.270 nan 0.000 0.464 124 R N -0.462 119.846 120.500 -0.320 0.000 2.236 124 R HA 0.208 4.548 4.340 0.001 0.000 0.208 124 R C 0.556 176.647 176.300 -0.349 0.000 1.036 124 R CA -0.002 55.803 56.100 -0.492 0.000 1.001 124 R CB -0.399 29.235 30.300 -1.110 0.000 0.896 124 R HN 0.484 nan 8.270 nan 0.000 0.464 125 L N 1.362 122.482 121.223 -0.171 0.000 2.380 125 L HA 0.195 4.535 4.340 0.001 0.000 0.273 125 L C 0.791 177.670 176.870 0.014 0.000 1.138 125 L CA -0.489 54.368 54.840 0.028 0.000 0.832 125 L CB 0.692 42.814 42.059 0.105 0.000 1.124 125 L HN 0.014 nan 8.230 nan 0.000 0.454 126 A N 5.942 128.801 122.820 0.064 0.000 2.346 126 A HA 0.477 4.797 4.320 0.001 0.000 0.252 126 A C -2.152 175.445 177.584 0.021 0.000 1.089 126 A CA -1.101 50.958 52.037 0.037 0.000 0.797 126 A CB -0.391 18.652 19.000 0.070 0.000 1.047 126 A HN 0.530 nan 8.150 nan 0.000 0.494 127 P HA 0.145 nan 4.420 nan 0.000 0.272 127 P C -0.615 176.620 177.300 -0.109 0.000 1.223 127 P CA 0.442 63.428 63.100 -0.191 0.000 0.784 127 P CB -0.012 31.474 31.700 -0.358 0.000 0.923 128 H N -2.953 116.177 119.070 0.099 0.000 2.862 128 H HA -0.111 4.446 4.556 0.001 0.000 0.290 128 H C -0.319 175.091 175.328 0.137 0.000 1.211 128 H CA 0.443 56.558 56.048 0.111 0.000 1.140 128 H CB -2.572 27.244 29.762 0.089 0.000 1.341 128 H HN 0.359 nan 8.280 nan 0.000 0.392 129 T N 2.382 117.074 114.554 0.231 0.000 2.779 129 T HA 0.194 4.545 4.350 0.001 0.000 0.296 129 T C -2.120 172.730 174.700 0.250 0.000 0.938 129 T CA -1.048 61.198 62.100 0.242 0.000 1.119 129 T CB 0.963 69.976 68.868 0.242 0.000 0.891 129 T HN 0.064 nan 8.240 nan 0.000 0.526 130 P HA 0.199 nan 4.420 nan 0.000 0.271 130 P C 0.219 177.624 177.300 0.174 0.000 1.220 130 P CA -0.026 63.193 63.100 0.197 0.000 0.768 130 P CB 0.629 32.518 31.700 0.314 0.000 0.848 131 L N 1.821 123.068 121.223 0.039 0.000 2.526 131 L HA 0.492 4.833 4.340 0.001 0.000 0.210 131 L C 0.865 177.619 176.870 -0.193 0.000 1.048 131 L CA 0.350 55.227 54.840 0.061 0.000 0.852 131 L CB 0.079 42.197 42.059 0.098 0.000 1.128 131 L HN 0.370 nan 8.230 nan 0.000 0.482 132 A N -0.086 122.480 122.820 -0.425 0.000 2.608 132 A HA 0.778 5.098 4.320 0.001 0.000 0.292 132 A C -1.394 175.747 177.584 -0.739 0.000 1.066 132 A CA -0.587 51.035 52.037 -0.691 0.000 0.676 132 A CB 1.655 20.292 19.000 -0.604 0.000 1.277 132 A HN -0.010 nan 8.150 nan 0.000 0.413 133 R N 0.646 120.607 120.500 -0.899 0.000 2.510 133 R HA 0.583 4.923 4.340 0.001 0.000 0.294 133 R C -1.808 174.272 176.300 -0.366 0.000 1.056 133 R CA -0.387 55.348 56.100 -0.608 0.000 0.918 133 R CB 1.506 31.376 30.300 -0.717 0.000 1.187 133 R HN 0.556 nan 8.270 nan 0.000 0.437 134 V N 4.705 124.507 119.914 -0.187 0.000 2.638 134 V HA 0.639 4.759 4.120 0.001 0.000 0.306 134 V C -0.685 175.448 176.094 0.065 0.000 1.052 134 V CA -0.953 61.289 62.300 -0.096 0.000 0.885 134 V CB 2.074 33.766 31.823 -0.218 0.000 0.999 134 V HN 0.659 nan 8.190 nan 0.000 0.424 135 F N 1.657 121.570 119.950 -0.061 0.000 2.613 135 F HA 0.891 5.418 4.527 0.001 0.000 0.314 135 F C -0.070 175.751 175.800 0.034 0.000 1.075 135 F CA -0.895 57.095 58.000 -0.016 0.000 0.945 135 F CB 1.914 40.920 39.000 0.010 0.000 1.310 135 F HN 0.416 nan 8.300 nan 0.000 0.467 136 S N 2.159 117.904 115.700 0.075 0.000 2.480 136 S HA 0.677 5.148 4.470 0.001 0.000 0.286 136 S C -2.884 171.834 174.600 0.198 0.000 1.180 136 S CA -1.448 56.752 58.200 -0.001 0.000 1.075 136 S CB 1.266 64.475 63.200 0.016 0.000 0.996 136 S HN 0.648 nan 8.310 nan 0.000 0.487 137 P HA 0.369 nan 4.420 nan 0.000 0.279 137 P C 0.005 177.419 177.300 0.190 0.000 1.252 137 P CA -0.774 62.505 63.100 0.298 0.000 0.811 137 P CB 1.216 33.037 31.700 0.201 0.000 1.035 138 R N -0.183 120.430 120.500 0.188 0.000 2.093 138 R HA 0.110 4.450 4.340 0.001 0.000 0.224 138 R C 0.395 176.745 176.300 0.083 0.000 1.101 138 R CA 1.202 57.381 56.100 0.131 0.000 0.979 138 R CB -0.065 30.326 30.300 0.151 0.000 0.877 138 R HN 0.543 nan 8.270 nan 0.000 0.441 139 T N 0.107 114.685 114.554 0.041 0.000 2.900 139 T HA 0.467 4.817 4.350 0.001 0.000 0.303 139 T C -0.981 173.704 174.700 -0.026 0.000 1.142 139 T CA -0.736 61.327 62.100 -0.063 0.000 1.007 139 T CB 2.689 71.312 68.868 -0.410 0.000 1.156 139 T HN 0.010 nan 8.240 nan 0.000 0.490 140 R N 1.405 121.925 120.500 0.034 0.000 2.575 140 R HA 0.669 5.009 4.340 0.001 0.000 0.293 140 R C -1.112 175.273 176.300 0.141 0.000 0.983 140 R CA -0.698 55.447 56.100 0.076 0.000 0.887 140 R CB 1.920 32.288 30.300 0.114 0.000 1.184 140 R HN 0.511 nan 8.270 nan 0.000 0.445 141 I N 4.141 124.764 120.570 0.087 0.000 2.418 141 I HA 0.354 4.524 4.170 0.001 0.000 0.287 141 I C -0.457 175.745 176.117 0.142 0.000 1.008 141 I CA -0.931 60.425 61.300 0.093 0.000 1.104 141 I CB 1.725 39.734 38.000 0.016 0.000 1.264 141 I HN 0.319 nan 8.210 nan 0.000 0.438 142 M N 6.710 126.429 119.600 0.198 0.000 2.209 142 M HA 0.495 4.975 4.480 0.001 0.000 0.355 142 M C -0.528 175.873 176.300 0.168 0.000 1.171 142 M CA -0.816 54.614 55.300 0.217 0.000 1.069 142 M CB 1.276 34.048 32.600 0.287 0.000 1.622 142 M HN 0.170 nan 8.290 nan 0.000 0.459 143 V N 2.807 122.847 119.914 0.211 0.000 2.531 143 V HA 0.760 4.880 4.120 0.001 0.000 0.301 143 V C -0.059 176.208 176.094 0.287 0.000 1.034 143 V CA -0.466 61.940 62.300 0.176 0.000 0.865 143 V CB 1.852 33.722 31.823 0.079 0.000 0.995 143 V HN 1.071 nan 8.190 nan 0.000 0.424 144 S N 2.100 117.921 115.700 0.201 0.000 2.685 144 S HA 0.713 5.183 4.470 0.001 0.000 0.282 144 S C 0.889 175.577 174.600 0.147 0.000 1.159 144 S CA 0.123 58.463 58.200 0.234 0.000 0.833 144 S CB 1.763 65.066 63.200 0.172 0.000 1.151 144 S HN 0.889 nan 8.310 nan 0.000 0.485 145 E N -0.059 120.228 120.200 0.146 0.000 2.209 145 E HA -0.033 4.318 4.350 0.001 0.000 0.196 145 E C 1.991 178.623 176.600 0.052 0.000 0.993 145 E CA 2.177 58.629 56.400 0.086 0.000 0.819 145 E CB -1.469 28.281 29.700 0.084 0.000 0.745 145 E HN 0.967 nan 8.360 nan 0.000 0.477 146 K N 0.362 120.796 120.400 0.057 0.000 2.168 146 K HA 0.251 4.571 4.320 0.001 0.000 0.201 146 K C 1.256 177.873 176.600 0.029 0.000 1.049 146 K CA 1.287 57.597 56.287 0.038 0.000 0.974 146 K CB 0.164 32.688 32.500 0.039 0.000 0.792 146 K HN 0.810 nan 8.250 nan 0.000 0.463 147 E N -1.792 118.431 120.200 0.039 0.000 2.447 147 E HA 0.587 4.937 4.350 0.001 0.000 0.279 147 E C -1.507 175.111 176.600 0.031 0.000 1.053 147 E CA -0.926 55.488 56.400 0.025 0.000 0.840 147 E CB 1.301 31.011 29.700 0.016 0.000 1.409 147 E HN 0.067 nan 8.360 nan 0.000 0.461 148 I N 0.964 121.539 120.570 0.009 0.000 2.362 148 I HA 0.460 4.630 4.170 0.001 0.000 0.289 148 I C -0.480 175.626 176.117 -0.018 0.000 0.994 148 I CA -0.838 60.466 61.300 0.007 0.000 1.158 148 I CB 1.524 39.518 38.000 -0.011 0.000 1.315 148 I HN 0.406 nan 8.210 nan 0.000 0.451 149 R N 5.935 126.428 120.500 -0.012 0.000 2.494 149 R HA 0.651 4.992 4.340 0.001 0.000 0.305 149 R C -1.739 174.462 176.300 -0.166 0.000 0.959 149 R CA -0.528 55.502 56.100 -0.116 0.000 0.864 149 R CB 1.037 31.282 30.300 -0.091 0.000 1.159 149 R HN 0.427 nan 8.270 nan 0.000 0.446 150 L N 5.478 126.531 121.223 -0.285 0.000 2.282 150 L HA 0.504 4.845 4.340 0.001 0.000 0.288 150 L C -0.930 175.704 176.870 -0.393 0.000 1.033 150 L CA 0.000 54.708 54.840 -0.220 0.000 0.807 150 L CB 0.949 42.930 42.059 -0.130 0.000 1.209 150 L HN 0.545 nan 8.230 nan 0.000 0.423 151 F N 2.416 122.354 119.950 -0.019 0.000 2.460 151 F HA 0.353 4.881 4.527 0.001 0.000 0.341 151 F C 0.343 176.128 175.800 -0.025 0.000 1.130 151 F CA -0.857 57.138 58.000 -0.009 0.000 0.962 151 F CB 1.146 40.150 39.000 0.007 0.000 1.171 151 F HN 0.608 nan 8.300 nan 0.000 0.436 152 D N 1.616 122.095 120.400 0.132 0.000 2.723 152 D HA -0.187 4.454 4.640 0.001 0.000 0.236 152 D C -0.107 176.211 176.300 0.031 0.000 1.138 152 D CA 0.601 54.650 54.000 0.082 0.000 0.676 152 D CB -0.646 40.213 40.800 0.098 0.000 1.069 152 D HN 0.521 nan 8.370 nan 0.000 0.430 153 A N 0.606 123.428 122.820 0.004 0.000 2.320 153 A HA 0.609 4.929 4.320 0.001 0.000 0.287 153 A C 1.110 178.763 177.584 0.116 0.000 1.181 153 A CA 0.365 52.395 52.037 -0.012 0.000 0.831 153 A CB 1.094 20.076 19.000 -0.029 0.000 1.102 153 A HN 0.245 nan 8.150 nan 0.000 0.513 154 G N 0.587 109.566 108.800 0.297 0.000 2.616 154 G HA2 0.378 4.338 3.960 0.001 0.000 0.268 154 G HA3 0.378 4.338 3.960 0.001 0.000 0.268 154 G C 0.868 175.849 174.900 0.136 0.000 1.213 154 G CA -0.193 45.031 45.100 0.207 0.000 0.926 154 G HN 0.745 nan 8.290 nan 0.000 0.523 155 I N 0.971 121.578 120.570 0.063 0.000 2.286 155 I HA -0.091 4.080 4.170 0.001 0.000 0.248 155 I C 3.182 179.303 176.117 0.007 0.000 1.115 155 I CA 2.335 63.654 61.300 0.031 0.000 1.392 155 I CB -0.384 37.625 38.000 0.014 0.000 1.065 155 I HN 0.590 nan 8.210 nan 0.000 0.418 156 R N -0.300 120.177 120.500 -0.040 0.000 2.073 156 R HA -0.194 4.146 4.340 0.001 0.000 0.234 156 R C 2.262 178.496 176.300 -0.110 0.000 1.134 156 R CA 2.080 58.114 56.100 -0.109 0.000 0.952 156 R CB -2.090 28.090 30.300 -0.200 0.000 0.850 156 R HN 0.607 nan 8.270 nan 0.000 0.433 157 H N 0.558 119.628 119.070 0.000 0.000 2.319 157 H HA -0.040 4.516 4.556 0.001 0.000 0.299 157 H C 2.316 177.638 175.328 -0.010 0.000 1.092 157 H CA 1.781 57.827 56.048 -0.004 0.000 1.302 157 H CB -0.008 29.756 29.762 0.005 0.000 1.373 157 H HN 0.372 nan 8.280 nan 0.000 0.497 158 R N 0.442 121.012 120.500 0.117 0.000 2.094 158 R HA -0.158 4.183 4.340 0.001 0.000 0.239 158 R C 2.568 178.883 176.300 0.025 0.000 1.137 158 R CA 1.635 57.767 56.100 0.054 0.000 0.943 158 R CB -0.911 29.411 30.300 0.037 0.000 0.850 158 R HN 0.608 nan 8.270 nan 0.000 0.433 159 E N 1.210 121.417 120.200 0.012 0.000 2.085 159 E HA -0.106 4.244 4.350 0.001 0.000 0.194 159 E C 2.079 178.675 176.600 -0.005 0.000 0.994 159 E CA 1.494 57.892 56.400 -0.003 0.000 0.801 159 E CB -0.639 29.053 29.700 -0.013 0.000 0.743 159 E HN 0.511 nan 8.360 nan 0.000 0.453 160 A N 0.620 123.437 122.820 -0.005 0.000 1.883 160 A HA -0.037 4.283 4.320 0.001 0.000 0.217 160 A C 2.526 180.108 177.584 -0.003 0.000 1.186 160 A CA 1.640 53.673 52.037 -0.007 0.000 0.624 160 A CB -0.462 18.534 19.000 -0.006 0.000 0.822 160 A HN 0.538 nan 8.150 nan 0.000 0.444 161 I N -0.069 120.506 120.570 0.008 0.000 2.208 161 I HA -0.260 3.911 4.170 0.001 0.000 0.245 161 I C 1.866 177.977 176.117 -0.009 0.000 1.097 161 I CA 1.622 62.922 61.300 -0.001 0.000 1.363 161 I CB -0.553 37.450 38.000 0.005 0.000 1.051 161 I HN 0.293 nan 8.210 nan 0.000 0.413 162 D N 0.952 121.349 120.400 -0.006 0.000 2.117 162 D HA -0.148 4.492 4.640 0.001 0.000 0.198 162 D C 2.538 178.832 176.300 -0.011 0.000 0.982 162 D CA 1.633 55.627 54.000 -0.009 0.000 0.828 162 D CB -0.228 40.568 40.800 -0.007 0.000 0.967 162 D HN 0.326 nan 8.370 nan 0.000 0.464 163 R N 1.023 121.517 120.500 -0.011 0.000 2.073 163 R HA -0.099 4.241 4.340 0.001 0.000 0.234 163 R C 2.262 178.553 176.300 -0.015 0.000 1.134 163 R CA 1.427 57.519 56.100 -0.013 0.000 0.952 163 R CB -1.573 28.719 30.300 -0.013 0.000 0.850 163 R HN 0.229 nan 8.270 nan 0.000 0.433 164 L N 0.605 121.817 121.223 -0.018 0.000 2.017 164 L HA -0.002 4.338 4.340 0.001 0.000 0.208 164 L C 2.418 179.274 176.870 -0.023 0.000 1.073 164 L CA 1.773 56.600 54.840 -0.022 0.000 0.745 164 L CB -0.396 41.646 42.059 -0.028 0.000 0.894 164 L HN 0.414 nan 8.230 nan 0.000 0.432 165 L N -0.669 120.541 121.223 -0.021 0.000 2.201 165 L HA -0.128 4.212 4.340 0.001 0.000 0.212 165 L C 2.533 179.392 176.870 -0.018 0.000 1.105 165 L CA 0.955 55.782 54.840 -0.021 0.000 0.775 165 L CB -0.795 41.252 42.059 -0.019 0.000 0.913 165 L HN 0.394 nan 8.230 nan 0.000 0.440 166 A N -0.360 122.451 122.820 -0.016 0.000 2.016 166 A HA -0.109 4.211 4.320 0.001 0.000 0.217 166 A C 2.296 179.872 177.584 -0.014 0.000 1.162 166 A CA 1.685 53.713 52.037 -0.014 0.000 0.662 166 A CB -0.468 18.525 19.000 -0.012 0.000 0.812 166 A HN 0.472 nan 8.150 nan 0.000 0.450 167 T N -4.592 109.953 114.554 -0.015 0.000 2.990 167 T HA 0.463 4.814 4.350 0.001 0.000 0.250 167 T C 1.072 175.762 174.700 -0.017 0.000 1.041 167 T CA 1.057 63.148 62.100 -0.015 0.000 1.010 167 T CB -0.054 68.806 68.868 -0.013 0.000 1.003 167 T HN 1.875 nan 8.240 nan 0.000 0.499 168 G N 1.472 110.260 108.800 -0.021 0.000 2.795 168 G HA2 0.013 3.973 3.960 0.001 0.000 0.664 168 G HA3 0.013 3.973 3.960 0.001 0.000 0.664 168 G C -0.321 174.563 174.900 -0.026 0.000 1.381 168 G CA -0.516 44.569 45.100 -0.024 0.000 0.853 168 G HN 1.399 nan 8.290 nan 0.000 0.545 169 V N -1.340 118.556 119.914 -0.031 0.000 2.775 169 V HA 0.727 4.847 4.120 0.001 0.000 0.299 169 V C 1.126 177.206 176.094 -0.024 0.000 1.062 169 V CA -0.459 61.822 62.300 -0.032 0.000 1.063 169 V CB 1.023 32.820 31.823 -0.043 0.000 0.994 169 V HN 0.942 nan 8.190 nan 0.000 0.483 170 R N 1.724 122.213 120.500 -0.018 0.000 2.738 170 R HA 0.273 4.613 4.340 0.001 0.000 0.268 170 R C 0.052 176.345 176.300 -0.012 0.000 1.062 170 R CA -0.443 55.650 56.100 -0.011 0.000 1.158 170 R CB 0.340 30.638 30.300 -0.003 0.000 1.046 170 R HN 0.766 nan 8.270 nan 0.000 0.493 171 E N 1.003 121.198 120.200 -0.009 0.000 2.343 171 E HA 0.111 4.461 4.350 0.001 0.000 0.269 171 E C -0.586 176.013 176.600 -0.002 0.000 1.047 171 E CA -0.340 56.054 56.400 -0.009 0.000 0.874 171 E CB 1.443 31.138 29.700 -0.008 0.000 1.033 171 E HN 0.185 nan 8.360 nan 0.000 0.409 172 V N 5.633 125.546 119.914 -0.002 0.000 2.408 172 V HA 0.137 4.258 4.120 0.001 0.000 0.267 172 V C -1.489 174.612 176.094 0.012 0.000 1.047 172 V CA -1.251 61.054 62.300 0.008 0.000 0.937 172 V CB 0.473 32.300 31.823 0.006 0.000 0.999 172 V HN 0.558 nan 8.190 nan 0.000 0.472 173 P HA 0.137 nan 4.420 nan 0.000 0.271 173 P C -0.343 176.965 177.300 0.013 0.000 1.233 173 P CA -0.490 62.615 63.100 0.008 0.000 0.789 173 P CB 0.697 32.400 31.700 0.005 0.000 0.951 174 Q N 0.230 120.031 119.800 0.002 0.000 2.395 174 Q HA 0.154 4.494 4.340 0.001 0.000 0.271 174 Q C 0.739 176.739 176.000 0.000 0.000 1.026 174 Q CA 0.022 55.827 55.803 0.003 0.000 0.900 174 Q CB 0.222 28.952 28.738 -0.013 0.000 1.266 174 Q HN 0.553 nan 8.270 nan 0.000 0.430 175 S N 2.047 117.756 115.700 0.014 0.000 2.624 175 S HA 0.327 4.797 4.470 0.001 0.000 0.263 175 S C -0.180 174.402 174.600 -0.030 0.000 1.287 175 S CA -0.768 57.442 58.200 0.016 0.000 0.990 175 S CB 1.251 64.473 63.200 0.037 0.000 0.950 175 S HN 0.645 nan 8.310 nan 0.000 0.561 176 R N 0.672 121.156 120.500 -0.028 0.000 2.393 176 R HA 0.420 4.760 4.340 0.001 0.000 0.315 176 R C -0.589 175.727 176.300 0.027 0.000 0.952 176 R CA -0.326 55.705 56.100 -0.115 0.000 0.842 176 R CB 1.172 31.189 30.300 -0.472 0.000 1.163 176 R HN 0.761 nan 8.270 nan 0.000 0.450 177 S N 1.656 117.351 115.700 -0.008 0.000 2.576 177 S HA 0.139 4.609 4.470 0.001 0.000 0.272 177 S C -0.561 174.107 174.600 0.113 0.000 1.352 177 S CA -0.379 57.835 58.200 0.023 0.000 1.021 177 S CB 1.372 64.563 63.200 -0.014 0.000 0.887 177 S HN 0.458 nan 8.310 nan 0.000 0.542 178 V N 1.596 121.555 119.914 0.075 0.000 2.888 178 V HA 0.439 4.559 4.120 0.001 0.000 0.309 178 V C -1.503 174.609 176.094 0.030 0.000 1.114 178 V CA -0.967 61.385 62.300 0.087 0.000 0.940 178 V CB 2.410 34.266 31.823 0.055 0.000 1.021 178 V HN 0.914 nan 8.190 nan 0.000 0.426 179 D N 3.451 123.873 120.400 0.037 0.000 2.280 179 D HA 0.397 5.038 4.640 0.001 0.000 0.243 179 D C 0.659 176.973 176.300 0.024 0.000 1.129 179 D CA 0.237 54.253 54.000 0.027 0.000 0.848 179 D CB 1.878 42.701 40.800 0.038 0.000 1.107 179 D HN 0.544 nan 8.370 nan 0.000 0.471 180 V N 1.500 121.421 119.914 0.012 0.000 3.621 180 V HA 0.121 4.241 4.120 0.001 0.000 0.285 180 V C 1.449 177.591 176.094 0.080 0.000 1.346 180 V CA 0.700 62.998 62.300 -0.003 0.000 1.104 180 V CB -0.327 31.450 31.823 -0.076 0.000 0.913 180 V HN 0.515 nan 8.190 nan 0.000 0.432 181 S N 0.467 116.246 115.700 0.131 0.000 2.446 181 S HA 0.100 4.570 4.470 0.001 0.000 0.225 181 S C 0.952 175.706 174.600 0.257 0.000 1.016 181 S CA 0.757 59.100 58.200 0.239 0.000 0.943 181 S CB -1.064 62.214 63.200 0.129 0.000 0.786 181 S HN 0.932 nan 8.310 nan 0.000 0.508 182 D N 1.124 121.625 120.400 0.168 0.000 2.382 182 D HA 0.389 5.030 4.640 0.001 0.000 0.245 182 D C -0.495 175.919 176.300 0.191 0.000 1.120 182 D CA -0.123 53.949 54.000 0.119 0.000 0.890 182 D CB 0.260 41.105 40.800 0.075 0.000 1.201 182 D HN 0.314 nan 8.370 nan 0.000 0.433 183 D N 0.759 121.220 120.400 0.103 0.000 2.634 183 D HA 0.218 4.859 4.640 0.001 0.000 0.318 183 D C -1.198 175.157 176.300 0.092 0.000 1.226 183 D CA -1.333 52.758 54.000 0.151 0.000 0.899 183 D CB 1.204 42.010 40.800 0.009 0.000 1.025 183 D HN 0.201 nan 8.370 nan 0.000 0.501 184 P HA -0.103 nan 4.420 nan 0.000 0.222 184 P C 0.888 178.218 177.300 0.051 0.000 1.147 184 P CA 0.628 63.758 63.100 0.049 0.000 0.790 184 P CB 0.235 31.957 31.700 0.036 0.000 0.780 185 S N -1.634 114.113 115.700 0.078 0.000 2.605 185 S HA 0.348 4.818 4.470 0.001 0.000 0.217 185 S C 1.388 176.051 174.600 0.104 0.000 0.958 185 S CA 0.223 58.469 58.200 0.076 0.000 0.919 185 S CB -1.111 62.134 63.200 0.074 0.000 0.780 185 S HN 0.314 nan 8.310 nan 0.000 0.507 186 G N 1.426 110.293 108.800 0.112 0.000 2.338 186 G HA2 -0.322 3.639 3.960 0.001 0.000 0.296 186 G HA3 -0.322 3.639 3.960 0.001 0.000 0.296 186 G C 0.075 175.064 174.900 0.149 0.000 1.040 186 G CA 0.278 45.436 45.100 0.097 0.000 1.004 186 G HN 0.550 nan 8.290 nan 0.000 0.509 187 F N 0.543 120.551 119.950 0.097 0.000 2.095 187 F HA -0.099 4.429 4.527 0.001 0.000 0.298 187 F C 2.676 178.544 175.800 0.114 0.000 1.104 187 F CA 2.314 60.393 58.000 0.132 0.000 1.232 187 F CB -0.148 39.004 39.000 0.253 0.000 0.987 187 F HN 0.322 nan 8.300 nan 0.000 0.475 188 R N -0.207 120.375 120.500 0.137 0.000 2.091 188 R HA -0.204 4.136 4.340 0.001 0.000 0.238 188 R C 2.468 178.710 176.300 -0.097 0.000 1.136 188 R CA 1.732 57.821 56.100 -0.018 0.000 0.959 188 R CB -0.550 29.740 30.300 -0.018 0.000 0.856 188 R HN 0.319 nan 8.270 nan 0.000 0.437 189 R N 1.072 121.537 120.500 -0.058 0.000 2.066 189 R HA -0.085 4.255 4.340 0.001 0.000 0.232 189 R C 2.227 178.481 176.300 -0.078 0.000 1.131 189 R CA 1.354 57.421 56.100 -0.054 0.000 0.955 189 R CB 0.010 30.296 30.300 -0.024 0.000 0.851 189 R HN 0.139 nan 8.270 nan 0.000 0.432 190 R N -0.206 120.236 120.500 -0.098 0.000 2.120 190 R HA -0.072 4.269 4.340 0.001 0.000 0.234 190 R C 2.250 178.450 176.300 -0.167 0.000 1.123 190 R CA 1.349 57.386 56.100 -0.104 0.000 0.975 190 R CB -0.234 30.021 30.300 -0.075 0.000 0.866 190 R HN 0.117 nan 8.270 nan 0.000 0.446 191 V N 1.112 120.840 119.914 -0.310 0.000 2.343 191 V HA -0.239 3.881 4.120 0.001 0.000 0.247 191 V C 2.467 178.477 176.094 -0.140 0.000 1.051 191 V CA 1.959 64.082 62.300 -0.294 0.000 1.036 191 V CB -0.681 30.891 31.823 -0.419 0.000 0.654 191 V HN 0.398 nan 8.190 nan 0.000 0.451 192 A N -0.282 122.469 122.820 -0.115 0.000 1.940 192 A HA -0.165 4.156 4.320 0.001 0.000 0.219 192 A C 2.378 179.930 177.584 -0.052 0.000 1.176 192 A CA 2.100 54.095 52.037 -0.069 0.000 0.631 192 A CB -0.614 18.352 19.000 -0.056 0.000 0.814 192 A HN 0.357 nan 8.150 nan 0.000 0.446 193 V N -0.325 119.561 119.914 -0.046 0.000 2.358 193 V HA -0.209 3.911 4.120 0.001 0.000 0.246 193 V C 3.047 179.138 176.094 -0.006 0.000 1.047 193 V CA 1.825 64.113 62.300 -0.020 0.000 1.035 193 V CB -1.215 30.605 31.823 -0.005 0.000 0.658 193 V HN 0.613 nan 8.190 nan 0.000 0.452 194 A N -0.145 122.678 122.820 0.006 0.000 1.902 194 A HA -0.170 4.150 4.320 0.001 0.000 0.217 194 A C 2.405 179.975 177.584 -0.023 0.000 1.181 194 A CA 2.085 54.161 52.037 0.064 0.000 0.623 194 A CB -0.750 18.302 19.000 0.087 0.000 0.818 194 A HN 0.321 nan 8.150 nan 0.000 0.443 195 V N 0.765 120.651 119.914 -0.047 0.000 2.332 195 V HA -0.272 3.849 4.120 0.001 0.000 0.248 195 V C 2.159 178.196 176.094 -0.094 0.000 1.055 195 V CA 2.367 64.624 62.300 -0.072 0.000 1.038 195 V CB -0.773 31.016 31.823 -0.057 0.000 0.651 195 V HN 0.530 nan 8.190 nan 0.000 0.450 196 D N -0.434 119.921 120.400 -0.075 0.000 2.144 196 D HA -0.156 4.484 4.640 0.001 0.000 0.200 196 D C 2.206 178.440 176.300 -0.111 0.000 0.978 196 D CA 1.164 55.119 54.000 -0.075 0.000 0.833 196 D CB -0.092 40.679 40.800 -0.048 0.000 0.961 196 D HN 0.556 nan 8.370 nan 0.000 0.470 197 E N 0.178 120.295 120.200 -0.139 0.000 2.106 197 E HA -0.085 4.265 4.350 0.001 0.000 0.192 197 E C 2.315 178.663 176.600 -0.420 0.000 0.984 197 E CA 0.371 56.636 56.400 -0.226 0.000 0.806 197 E CB 0.067 29.663 29.700 -0.174 0.000 0.750 197 E HN 0.292 nan 8.360 nan 0.000 0.458 198 I N 0.762 121.053 120.570 -0.465 0.000 2.252 198 I HA -0.224 3.947 4.170 0.001 0.000 0.245 198 I C 2.455 178.432 176.117 -0.234 0.000 1.102 198 I CA 0.786 61.818 61.300 -0.446 0.000 1.385 198 I CB -0.222 37.587 38.000 -0.319 0.000 1.064 198 I HN 0.081 nan 8.210 nan 0.000 0.414 199 A N 0.659 123.380 122.820 -0.165 0.000 2.015 199 A HA -0.053 4.268 4.320 0.001 0.000 0.219 199 A C 2.367 179.897 177.584 -0.090 0.000 1.163 199 A CA 1.575 53.550 52.037 -0.102 0.000 0.646 199 A CB -0.569 18.385 19.000 -0.076 0.000 0.806 199 A HN 0.423 nan 8.150 nan 0.000 0.448 200 A N -1.700 121.054 122.820 -0.110 0.000 2.238 200 A HA 0.402 4.723 4.320 0.001 0.000 0.208 200 A C 1.763 179.298 177.584 -0.081 0.000 1.177 200 A CA 1.175 53.163 52.037 -0.082 0.000 0.804 200 A CB -0.935 18.020 19.000 -0.076 0.000 0.823 200 A HN 1.857 nan 8.150 nan 0.000 0.482 201 G N -0.559 108.174 108.800 -0.113 0.000 2.143 201 G HA2 -0.298 3.662 3.960 0.001 0.000 0.248 201 G HA3 -0.298 3.662 3.960 0.001 0.000 0.248 201 G C 0.902 175.755 174.900 -0.079 0.000 0.991 201 G CA 0.568 45.619 45.100 -0.082 0.000 0.689 201 G HN 0.567 nan 8.290 nan 0.000 0.522 202 R N -1.138 119.264 120.500 -0.162 0.000 2.148 202 R HA 0.239 4.579 4.340 0.001 0.000 0.223 202 R C 0.943 177.305 176.300 0.104 0.000 1.088 202 R CA 1.739 57.808 56.100 -0.052 0.000 0.985 202 R CB -0.066 30.209 30.300 -0.042 0.000 0.880 202 R HN 0.903 nan 8.270 nan 0.000 0.451 203 Y N -6.397 113.921 120.300 0.030 0.000 2.779 203 Y HA 0.225 4.775 4.550 0.001 0.000 0.340 203 Y C 0.500 176.444 175.900 0.073 0.000 1.252 203 Y CA -1.183 56.946 58.100 0.049 0.000 1.072 203 Y CB 0.403 38.883 38.460 0.033 0.000 1.343 203 Y HN -0.244 nan 8.280 nan 0.000 0.450 204 H N 0.899 120.097 119.070 0.213 0.000 2.451 204 H HA 0.334 4.890 4.556 0.001 0.000 0.294 204 H C -0.472 174.955 175.328 0.165 0.000 1.028 204 H CA 1.339 57.459 56.048 0.120 0.000 1.349 204 H CB 0.632 30.447 29.762 0.088 0.000 1.444 204 H HN 0.633 nan 8.280 nan 0.000 0.538 205 K N 0.571 121.130 120.400 0.265 0.000 2.562 205 K HA 0.404 4.724 4.320 0.001 0.000 0.267 205 K C -2.217 174.496 176.600 0.188 0.000 0.938 205 K CA -0.653 55.740 56.287 0.176 0.000 0.840 205 K CB 2.741 35.331 32.500 0.150 0.000 1.390 205 K HN -0.006 nan 8.250 nan 0.000 0.428 206 V N 4.630 124.627 119.914 0.138 0.000 2.808 206 V HA 0.506 4.626 4.120 0.001 0.000 0.308 206 V C -1.622 174.505 176.094 0.054 0.000 1.099 206 V CA -0.846 61.467 62.300 0.021 0.000 0.920 206 V CB 1.784 33.551 31.823 -0.094 0.000 1.014 206 V HN 0.728 nan 8.190 nan 0.000 0.425 207 I N 7.205 127.799 120.570 0.040 0.000 2.312 207 I HA 0.451 4.621 4.170 0.001 0.000 0.291 207 I C 0.066 176.235 176.117 0.086 0.000 1.031 207 I CA 0.308 61.655 61.300 0.079 0.000 1.293 207 I CB 1.087 39.131 38.000 0.073 0.000 1.403 207 I HN 0.442 nan 8.210 nan 0.000 0.484 208 L N 5.687 127.002 121.223 0.152 0.000 2.322 208 L HA 0.756 5.096 4.340 0.001 0.000 0.269 208 L C 0.179 177.275 176.870 0.376 0.000 1.012 208 L CA -0.473 54.483 54.840 0.194 0.000 0.815 208 L CB 1.971 44.095 42.059 0.108 0.000 1.295 208 L HN 0.725 nan 8.230 nan 0.000 0.438 209 S N 0.943 116.831 115.700 0.313 0.000 2.720 209 S HA 0.842 5.312 4.470 0.001 0.000 0.287 209 S C -1.053 173.598 174.600 0.085 0.000 1.168 209 S CA -1.011 57.272 58.200 0.138 0.000 0.832 209 S CB 2.596 65.746 63.200 -0.083 0.000 1.166 209 S HN 0.761 nan 8.310 nan 0.000 0.493 210 R N -0.831 119.563 120.500 -0.177 0.000 2.626 210 R HA 0.758 5.098 4.340 0.001 0.000 0.274 210 R C -1.568 174.640 176.300 -0.154 0.000 1.031 210 R CA -0.806 55.222 56.100 -0.120 0.000 0.898 210 R CB 0.709 30.903 30.300 -0.176 0.000 1.222 210 R HN 0.663 nan 8.270 nan 0.000 0.455 211 C N 1.900 121.154 119.300 -0.077 0.000 2.365 211 C HA 0.591 5.051 4.460 0.001 0.000 0.351 211 C C 0.057 175.054 174.990 0.011 0.000 1.240 211 C CA -0.525 58.489 59.018 -0.006 0.000 2.062 211 C CB 1.183 28.882 27.740 -0.069 0.000 2.387 211 C HN 0.549 nan 8.230 nan 0.000 0.537 212 V N 3.952 123.907 119.914 0.068 0.000 2.350 212 V HA 0.257 4.378 4.120 0.001 0.000 0.285 212 V C -0.150 176.001 176.094 0.095 0.000 1.014 212 V CA -0.320 62.004 62.300 0.040 0.000 0.831 212 V CB 1.106 32.923 31.823 -0.010 0.000 1.000 212 V HN 0.791 nan 8.190 nan 0.000 0.433 213 E N 3.430 123.670 120.200 0.067 0.000 2.338 213 E HA 0.248 4.598 4.350 0.001 0.000 0.272 213 E C -0.445 176.160 176.600 0.008 0.000 1.029 213 E CA -0.230 56.216 56.400 0.078 0.000 0.872 213 E CB 1.956 31.678 29.700 0.036 0.000 1.015 213 E HN 0.360 nan 8.360 nan 0.000 0.417 214 V N 6.100 125.986 119.914 -0.047 0.000 2.348 214 V HA 0.102 4.223 4.120 0.001 0.000 0.270 214 V C -1.236 174.702 176.094 -0.260 0.000 1.037 214 V CA -1.227 60.905 62.300 -0.280 0.000 0.872 214 V CB 1.182 32.720 31.823 -0.475 0.000 1.002 214 V HN 0.551 nan 8.190 nan 0.000 0.464 215 P HA -0.024 nan 4.420 nan 0.000 0.250 215 P C -0.328 177.088 177.300 0.193 0.000 1.239 215 P CA 0.709 63.851 63.100 0.071 0.000 0.756 215 P CB -0.307 31.495 31.700 0.171 0.000 1.013 216 F N -2.805 117.170 119.950 0.042 0.000 2.668 216 F HA 0.753 5.281 4.527 0.001 0.000 0.309 216 F C -0.836 174.994 175.800 0.049 0.000 1.117 216 F CA -2.312 55.712 58.000 0.039 0.000 0.951 216 F CB 0.458 39.470 39.000 0.021 0.000 1.323 216 F HN -0.198 nan 8.300 nan 0.000 0.451 217 A N 2.514 125.472 122.820 0.230 0.000 2.440 217 A HA 0.637 4.957 4.320 0.001 0.000 0.251 217 A C -0.181 177.527 177.584 0.206 0.000 1.089 217 A CA -0.349 51.787 52.037 0.164 0.000 0.779 217 A CB -0.116 18.985 19.000 0.168 0.000 1.022 217 A HN 1.038 nan 8.150 nan 0.000 0.492 218 I N -0.748 119.876 120.570 0.088 0.000 2.750 218 I HA 0.515 4.685 4.170 0.001 0.000 0.308 218 I C -0.547 175.595 176.117 0.043 0.000 1.016 218 I CA -0.908 60.407 61.300 0.025 0.000 1.098 218 I CB 1.982 39.831 38.000 -0.251 0.000 1.279 218 I HN 0.504 nan 8.210 nan 0.000 0.454 219 D N 3.337 123.762 120.400 0.041 0.000 2.380 219 D HA 0.205 4.846 4.640 0.001 0.000 0.230 219 D C 0.456 176.796 176.300 0.068 0.000 1.154 219 D CA -0.201 53.868 54.000 0.116 0.000 0.859 219 D CB 0.760 41.620 40.800 0.100 0.000 1.045 219 D HN 0.550 nan 8.370 nan 0.000 0.495 220 F N 3.924 123.914 119.950 0.068 0.000 2.102 220 F HA -0.045 4.482 4.527 0.001 0.000 0.298 220 F C -0.652 175.216 175.800 0.114 0.000 1.105 220 F CA 0.855 58.894 58.000 0.065 0.000 1.239 220 F CB -1.447 37.574 39.000 0.036 0.000 0.991 220 F HN 0.430 nan 8.300 nan 0.000 0.474 221 P HA -0.166 nan 4.420 nan 0.000 0.215 221 P C 1.925 179.344 177.300 0.198 0.000 1.153 221 P CA 1.549 64.781 63.100 0.220 0.000 0.853 221 P CB -0.058 31.729 31.700 0.145 0.000 0.788 222 L N -1.710 119.595 121.223 0.135 0.000 2.093 222 L HA -0.130 4.211 4.340 0.001 0.000 0.208 222 L C 2.287 179.209 176.870 0.088 0.000 1.085 222 L CA 1.585 56.481 54.840 0.093 0.000 0.755 222 L CB -1.470 40.629 42.059 0.066 0.000 0.904 222 L HN 0.027 nan 8.230 nan 0.000 0.435 223 T N -1.176 113.423 114.554 0.075 0.000 2.777 223 T HA -0.244 4.107 4.350 0.001 0.000 0.266 223 T C 1.699 176.465 174.700 0.110 0.000 1.040 223 T CA 1.352 63.482 62.100 0.050 0.000 1.141 223 T CB -0.338 68.481 68.868 -0.081 0.000 0.868 223 T HN 0.323 nan 8.240 nan 0.000 0.444 224 Y N 2.220 122.549 120.300 0.049 0.000 2.165 224 Y HA -0.167 4.384 4.550 0.001 0.000 0.286 224 Y C 2.443 178.424 175.900 0.135 0.000 1.155 224 Y CA 1.336 59.501 58.100 0.108 0.000 1.164 224 Y CB -0.185 38.319 38.460 0.072 0.000 0.978 224 Y HN 0.025 nan 8.280 nan 0.000 0.513 225 R N -0.572 119.949 120.500 0.034 0.000 2.073 225 R HA -0.165 4.175 4.340 0.001 0.000 0.234 225 R C 2.163 178.363 176.300 -0.167 0.000 1.134 225 R CA 1.579 57.624 56.100 -0.093 0.000 0.952 225 R CB -0.752 29.550 30.300 0.004 0.000 0.850 225 R HN 0.359 nan 8.270 nan 0.000 0.433 226 L N 0.407 121.579 121.223 -0.085 0.000 2.017 226 L HA -0.036 4.305 4.340 0.001 0.000 0.208 226 L C 2.173 178.882 176.870 -0.269 0.000 1.073 226 L CA 2.134 56.914 54.840 -0.101 0.000 0.745 226 L CB -1.010 41.072 42.059 0.039 0.000 0.894 226 L HN 0.216 nan 8.230 nan 0.000 0.432 227 G N -1.245 107.429 108.800 -0.210 0.000 2.432 227 G HA2 -0.322 3.638 3.960 0.001 0.000 0.219 227 G HA3 -0.322 3.638 3.960 0.001 0.000 0.219 227 G C 1.711 176.170 174.900 -0.735 0.000 1.135 227 G CA 0.723 45.583 45.100 -0.401 0.000 0.767 227 G HN 0.339 nan 8.290 nan 0.000 0.550 228 R N 0.762 120.909 120.500 -0.589 0.000 2.280 228 R HA 0.129 4.469 4.340 0.001 0.000 0.207 228 R C 2.282 178.316 176.300 -0.443 0.000 1.043 228 R CA 0.529 56.297 56.100 -0.553 0.000 1.006 228 R CB -0.309 29.703 30.300 -0.481 0.000 0.885 228 R HN 0.290 nan 8.270 nan 0.000 0.467 229 R N -1.346 118.848 120.500 -0.510 0.000 2.276 229 R HA 0.061 4.401 4.340 0.001 0.000 0.196 229 R C 0.535 176.332 176.300 -0.838 0.000 0.961 229 R CA 0.688 56.433 56.100 -0.591 0.000 1.024 229 R CB 0.186 30.114 30.300 -0.620 0.000 0.940 229 R HN 0.409 nan 8.270 nan 0.000 0.480 230 H N -0.866 117.900 119.070 -0.507 0.000 2.923 230 H HA 0.309 4.866 4.556 0.001 0.000 0.268 230 H C -0.319 174.785 175.328 -0.374 0.000 1.148 230 H CA -0.127 55.655 56.048 -0.443 0.000 1.146 230 H CB 0.807 30.177 29.762 -0.654 0.000 1.607 230 H HN 0.034 nan 8.280 nan 0.000 0.566 231 N N 0.735 119.195 118.700 -0.400 0.000 2.454 231 N HA 0.060 4.801 4.740 0.001 0.000 0.291 231 N C -0.731 174.616 175.510 -0.271 0.000 1.079 231 N CA -0.055 52.771 53.050 -0.373 0.000 0.893 231 N CB 2.929 40.964 38.487 -0.753 0.000 1.512 231 N HN -0.044 nan 8.380 nan 0.000 0.497 232 T N 2.048 116.533 114.554 -0.116 0.000 3.514 232 T HA 0.290 4.641 4.350 0.001 0.000 0.259 232 T C -2.593 172.111 174.700 0.007 0.000 1.466 232 T CA -1.507 60.562 62.100 -0.051 0.000 1.562 232 T CB 0.083 68.922 68.868 -0.048 0.000 0.924 232 T HN 0.277 nan 8.240 nan 0.000 0.678 233 P HA 0.162 nan 4.420 nan 0.000 0.274 233 P C 1.472 178.775 177.300 0.005 0.000 1.237 233 P CA -0.395 62.745 63.100 0.066 0.000 0.793 233 P CB 1.233 33.010 31.700 0.129 0.000 0.977 234 V N -1.391 118.516 119.914 -0.012 0.000 2.759 234 V HA 0.006 4.127 4.120 0.001 0.000 0.256 234 V C 0.847 176.874 176.094 -0.112 0.000 1.080 234 V CA 1.183 63.449 62.300 -0.056 0.000 1.101 234 V CB -1.069 30.731 31.823 -0.037 0.000 0.698 234 V HN 0.413 nan 8.190 nan 0.000 0.477 235 R N 0.665 121.115 120.500 -0.082 0.000 2.651 235 R HA 0.742 5.083 4.340 0.001 0.000 0.278 235 R C -0.785 175.494 176.300 -0.034 0.000 1.010 235 R CA 0.513 56.514 56.100 -0.165 0.000 0.896 235 R CB 2.173 32.404 30.300 -0.114 0.000 1.211 235 R HN 0.615 nan 8.270 nan 0.000 0.456 236 S N 0.895 116.550 115.700 -0.075 0.000 2.596 236 S HA 0.855 5.325 4.470 0.001 0.000 0.270 236 S C -0.994 173.728 174.600 0.204 0.000 1.155 236 S CA -0.880 57.396 58.200 0.127 0.000 0.827 236 S CB 1.977 65.362 63.200 0.308 0.000 1.130 236 S HN 0.528 nan 8.310 nan 0.000 0.467 237 F N -0.634 119.375 119.950 0.098 0.000 2.713 237 F HA 0.905 5.432 4.527 0.001 0.000 0.311 237 F C -2.077 173.683 175.800 -0.066 0.000 1.141 237 F CA -1.255 56.793 58.000 0.080 0.000 0.939 237 F CB 1.319 40.442 39.000 0.205 0.000 1.325 237 F HN 0.755 nan 8.300 nan 0.000 0.453 238 L N 3.914 125.156 121.223 0.032 0.000 2.516 238 L HA 0.832 5.172 4.340 0.001 0.000 0.267 238 L C -2.003 174.973 176.870 0.178 0.000 0.957 238 L CA -0.601 54.205 54.840 -0.057 0.000 0.860 238 L CB 1.908 43.742 42.059 -0.374 0.000 1.265 238 L HN 0.978 nan 8.230 nan 0.000 0.403 239 L N 1.889 123.161 121.223 0.081 0.000 2.469 239 L HA 0.791 5.131 4.340 0.001 0.000 0.256 239 L C -1.120 175.450 176.870 -0.499 0.000 1.006 239 L CA -0.522 54.211 54.840 -0.178 0.000 0.832 239 L CB 2.028 44.096 42.059 0.015 0.000 1.421 239 L HN 0.741 nan 8.230 nan 0.000 0.410 240 Q N 1.751 121.058 119.800 -0.823 0.000 2.589 240 Q HA 0.677 5.017 4.340 0.001 0.000 0.245 240 Q C -2.252 173.461 176.000 -0.479 0.000 0.931 240 Q CA -0.462 54.942 55.803 -0.666 0.000 0.730 240 Q CB 1.670 29.934 28.738 -0.790 0.000 1.315 240 Q HN 0.803 nan 8.270 nan 0.000 0.469 241 L N 2.553 123.611 121.223 -0.274 0.000 2.438 241 L HA 0.698 5.038 4.340 0.001 0.000 0.270 241 L C 0.292 177.125 176.870 -0.061 0.000 0.972 241 L CA 0.793 55.525 54.840 -0.179 0.000 0.831 241 L CB 2.001 44.017 42.059 -0.072 0.000 1.273 241 L HN 0.633 nan 8.230 nan 0.000 0.405 242 G N 3.411 112.166 108.800 -0.076 0.000 2.393 242 G HA2 0.072 4.033 3.960 0.001 0.000 0.299 242 G HA3 0.072 4.033 3.960 0.001 0.000 0.299 242 G C 1.034 175.936 174.900 0.004 0.000 0.990 242 G CA 0.939 46.030 45.100 -0.016 0.000 1.118 242 G HN 2.119 nan 8.290 nan 0.000 0.513 243 G N -1.384 107.395 108.800 -0.036 0.000 2.184 243 G HA2 -0.173 3.788 3.960 0.001 0.000 0.264 243 G HA3 -0.173 3.788 3.960 0.001 0.000 0.264 243 G C 0.567 175.441 174.900 -0.043 0.000 0.975 243 G CA 0.887 45.971 45.100 -0.026 0.000 0.642 243 G HN 2.273 nan 8.290 nan 0.000 0.536 244 I N -2.641 117.884 120.570 -0.075 0.000 2.530 244 I HA 0.890 5.060 4.170 0.001 0.000 0.297 244 I C -0.141 175.810 176.117 -0.278 0.000 1.011 244 I CA -1.545 59.675 61.300 -0.133 0.000 1.107 244 I CB 1.686 39.621 38.000 -0.108 0.000 1.285 244 I HN -0.030 nan 8.210 nan 0.000 0.436 245 R N 3.997 124.234 120.500 -0.439 0.000 2.711 245 R HA 0.937 5.277 4.340 0.001 0.000 0.284 245 R C -1.009 174.858 176.300 -0.721 0.000 0.968 245 R CA -0.896 54.720 56.100 -0.805 0.000 0.924 245 R CB 2.239 31.639 30.300 -1.500 0.000 1.162 245 R HN 0.948 nan 8.270 nan 0.000 0.465 246 A N 1.946 124.492 122.820 -0.455 0.000 2.599 246 A HA 0.623 4.943 4.320 0.001 0.000 0.294 246 A C -1.940 175.737 177.584 0.155 0.000 1.055 246 A CA -0.755 51.297 52.037 0.025 0.000 0.683 246 A CB 1.279 20.371 19.000 0.155 0.000 1.278 246 A HN 0.540 nan 8.150 nan 0.000 0.412 247 L N -1.573 119.616 121.223 -0.056 0.000 2.518 247 L HA 1.081 5.421 4.340 0.001 0.000 0.257 247 L C -0.156 176.053 176.870 -1.101 0.000 0.980 247 L CA 0.093 54.591 54.840 -0.571 0.000 0.837 247 L CB 1.672 43.651 42.059 -0.134 0.000 1.410 247 L HN 1.897 nan 8.230 nan 0.000 0.410 248 G N -0.126 107.604 108.800 -1.784 0.000 2.523 248 G HA2 0.569 4.530 3.960 0.001 0.000 0.291 248 G HA3 0.569 4.530 3.960 0.001 0.000 0.291 248 G C -2.504 171.720 174.900 -1.126 0.000 1.450 248 G CA -0.632 43.711 45.100 -1.261 0.000 0.790 248 G HN 0.555 nan 8.290 nan 0.000 0.496 249 Y N 0.418 120.689 120.300 -0.050 0.000 2.326 249 Y HA 0.626 5.176 4.550 0.001 0.000 0.331 249 Y C 0.211 176.166 175.900 0.091 0.000 0.962 249 Y CA -1.093 57.023 58.100 0.027 0.000 1.167 249 Y CB 2.471 40.930 38.460 -0.001 0.000 1.148 249 Y HN 0.365 nan 8.280 nan 0.000 0.463 250 S N 5.496 121.321 115.700 0.207 0.000 2.667 250 S HA 0.247 4.717 4.470 0.001 0.000 0.304 250 S C -2.189 172.453 174.600 0.071 0.000 1.135 250 S CA -1.143 57.151 58.200 0.157 0.000 1.125 250 S CB 1.347 64.672 63.200 0.208 0.000 0.996 250 S HN 0.505 nan 8.310 nan 0.000 0.474 251 P HA 0.051 nan 4.420 nan 0.000 0.245 251 P C 0.006 177.233 177.300 -0.122 0.000 1.206 251 P CA 0.355 63.384 63.100 -0.117 0.000 0.781 251 P CB 0.375 31.849 31.700 -0.376 0.000 0.994 252 E N 0.585 120.750 120.200 -0.058 0.000 2.133 252 E HA 0.362 4.712 4.350 0.001 0.000 0.274 252 E C -0.864 175.751 176.600 0.024 0.000 0.930 252 E CA -0.724 55.659 56.400 -0.028 0.000 0.770 252 E CB 0.767 30.452 29.700 -0.025 0.000 1.104 252 E HN 0.031 nan 8.360 nan 0.000 0.403 253 L N 5.526 126.767 121.223 0.031 0.000 2.265 253 L HA 0.190 4.531 4.340 0.001 0.000 0.288 253 L C 0.882 177.790 176.870 0.063 0.000 1.058 253 L CA -0.480 54.395 54.840 0.057 0.000 0.809 253 L CB 1.418 43.508 42.059 0.051 0.000 1.179 253 L HN 0.618 nan 8.230 nan 0.000 0.429 254 V N 1.490 121.453 119.914 0.082 0.000 2.535 254 V HA 0.018 4.138 4.120 0.001 0.000 0.246 254 V C 0.593 176.750 176.094 0.105 0.000 1.045 254 V CA 1.135 63.489 62.300 0.090 0.000 1.058 254 V CB 0.008 31.905 31.823 0.122 0.000 0.689 254 V HN 0.855 nan 8.190 nan 0.000 0.461 255 T N -0.093 114.521 114.554 0.100 0.000 3.159 255 T HA 0.707 5.057 4.350 0.001 0.000 0.343 255 T C -0.978 173.750 174.700 0.047 0.000 1.364 255 T CA 0.030 62.176 62.100 0.076 0.000 1.102 255 T CB 1.853 70.773 68.868 0.087 0.000 1.263 255 T HN 0.379 nan 8.240 nan 0.000 0.477 256 A N 2.234 125.073 122.820 0.031 0.000 2.398 256 A HA 0.845 5.165 4.320 0.001 0.000 0.301 256 A C -1.145 176.440 177.584 0.002 0.000 1.041 256 A CA -0.673 51.374 52.037 0.016 0.000 0.711 256 A CB 1.391 20.406 19.000 0.025 0.000 1.240 256 A HN 0.688 nan 8.150 nan 0.000 0.420 257 V N 3.661 123.565 119.914 -0.017 0.000 2.531 257 V HA 0.550 4.670 4.120 0.001 0.000 0.301 257 V C -0.376 175.700 176.094 -0.031 0.000 1.034 257 V CA -0.890 61.396 62.300 -0.024 0.000 0.865 257 V CB 1.695 33.496 31.823 -0.037 0.000 0.995 257 V HN 0.938 nan 8.190 nan 0.000 0.424 258 R N 2.472 122.958 120.500 -0.024 0.000 2.573 258 R HA 0.627 4.968 4.340 0.001 0.000 0.272 258 R C 1.305 177.586 176.300 -0.032 0.000 1.009 258 R CA -0.119 55.965 56.100 -0.026 0.000 1.059 258 R CB 1.336 31.627 30.300 -0.016 0.000 1.112 258 R HN 0.784 nan 8.270 nan 0.000 0.517 259 A N 1.428 124.227 122.820 -0.036 0.000 1.986 259 A HA -0.241 4.079 4.320 0.001 0.000 0.220 259 A C 1.107 178.673 177.584 -0.029 0.000 1.171 259 A CA 2.225 54.240 52.037 -0.037 0.000 0.640 259 A CB -0.597 18.380 19.000 -0.038 0.000 0.811 259 A HN 0.802 nan 8.150 nan 0.000 0.451 260 D N -2.777 117.610 120.400 -0.022 0.000 2.363 260 D HA 0.306 4.946 4.640 0.001 0.000 0.226 260 D C 1.180 177.470 176.300 -0.016 0.000 1.020 260 D CA 1.047 55.037 54.000 -0.017 0.000 0.892 260 D CB -0.310 40.483 40.800 -0.012 0.000 0.900 260 D HN 0.753 nan 8.370 nan 0.000 0.531 261 G N -0.612 108.177 108.800 -0.019 0.000 2.213 261 G HA2 -0.269 3.692 3.960 0.001 0.000 0.236 261 G HA3 -0.269 3.692 3.960 0.001 0.000 0.236 261 G C 0.217 175.110 174.900 -0.012 0.000 0.991 261 G CA -0.005 45.085 45.100 -0.017 0.000 0.629 261 G HN 0.582 nan 8.290 nan 0.000 0.517 262 V N 1.494 121.403 119.914 -0.009 0.000 2.572 262 V HA 0.552 4.672 4.120 0.001 0.000 0.291 262 V C 0.455 176.547 176.094 -0.002 0.000 1.039 262 V CA 0.114 62.412 62.300 -0.003 0.000 1.055 262 V CB 1.435 33.258 31.823 0.000 0.000 0.969 262 V HN 0.568 nan 8.190 nan 0.000 0.482 263 V N 8.067 127.983 119.914 0.003 0.000 2.555 263 V HA 0.601 4.722 4.120 0.001 0.000 0.302 263 V C -0.068 176.036 176.094 0.017 0.000 1.038 263 V CA -0.466 61.839 62.300 0.007 0.000 0.887 263 V CB 1.547 33.374 31.823 0.007 0.000 0.991 263 V HN 0.905 nan 8.190 nan 0.000 0.434 264 I N 0.957 121.540 120.570 0.022 0.000 2.969 264 I HA 0.918 5.089 4.170 0.001 0.000 0.307 264 I C -0.749 175.393 176.117 0.041 0.000 1.149 264 I CA -0.460 60.858 61.300 0.031 0.000 1.008 264 I CB 2.710 40.728 38.000 0.030 0.000 1.232 264 I HN 0.578 nan 8.210 nan 0.000 0.435 265 T N 1.999 116.581 114.554 0.047 0.000 2.933 265 T HA 0.428 4.778 4.350 0.001 0.000 0.305 265 T C -1.343 173.393 174.700 0.061 0.000 1.092 265 T CA -0.386 61.747 62.100 0.056 0.000 1.008 265 T CB 1.726 70.630 68.868 0.059 0.000 1.102 265 T HN 0.836 nan 8.240 nan 0.000 0.469 266 E N 4.732 124.969 120.200 0.062 0.000 2.795 266 E HA 0.274 4.625 4.350 0.001 0.000 0.226 266 E C -2.559 174.090 176.600 0.082 0.000 1.088 266 E CA -1.905 54.537 56.400 0.071 0.000 0.812 266 E CB 1.350 31.081 29.700 0.051 0.000 1.328 266 E HN 0.463 nan 8.360 nan 0.000 0.410 267 P HA 0.002 nan 4.420 nan 0.000 0.267 267 P C -0.467 176.947 177.300 0.191 0.000 1.205 267 P CA -0.378 62.807 63.100 0.142 0.000 0.765 267 P CB 0.969 32.755 31.700 0.143 0.000 0.828 268 L N 3.476 124.760 121.223 0.102 0.000 2.292 268 L HA 0.433 4.773 4.340 0.001 0.000 0.284 268 L C 1.324 178.208 176.870 0.023 0.000 1.065 268 L CA -0.059 54.794 54.840 0.022 0.000 0.806 268 L CB 1.068 43.112 42.059 -0.026 0.000 1.175 268 L HN 0.493 nan 8.230 nan 0.000 0.431 269 A N 3.213 125.923 122.820 -0.185 0.000 1.911 269 A HA 0.633 4.953 4.320 0.001 0.000 0.212 269 A C 0.829 178.375 177.584 -0.063 0.000 1.189 269 A CA 0.945 52.857 52.037 -0.209 0.000 0.639 269 A CB -0.391 18.189 19.000 -0.699 0.000 0.839 269 A HN 0.845 nan 8.150 nan 0.000 0.449 270 G N -2.932 105.838 108.800 -0.050 0.000 2.506 270 G HA2 0.500 4.460 3.960 0.001 0.000 0.292 270 G HA3 0.500 4.460 3.960 0.001 0.000 0.292 270 G C -1.325 173.608 174.900 0.055 0.000 1.425 270 G CA 0.098 45.204 45.100 0.011 0.000 0.788 270 G HN 0.226 nan 8.290 nan 0.000 0.490 271 T N 0.590 115.178 114.554 0.057 0.000 2.933 271 T HA 0.801 5.152 4.350 0.001 0.000 0.305 271 T C -0.722 173.962 174.700 -0.027 0.000 1.092 271 T CA -0.801 61.319 62.100 0.034 0.000 1.008 271 T CB 2.071 71.016 68.868 0.129 0.000 1.102 271 T HN 0.545 nan 8.240 nan 0.000 0.469 272 R N 0.606 121.056 120.500 -0.083 0.000 2.808 272 R HA 0.815 5.155 4.340 0.001 0.000 0.272 272 R C -0.499 175.746 176.300 -0.090 0.000 0.995 272 R CA -0.948 55.112 56.100 -0.065 0.000 0.917 272 R CB 1.626 31.894 30.300 -0.053 0.000 1.217 272 R HN 0.789 nan 8.270 nan 0.000 0.471 273 A N 1.224 124.007 122.820 -0.062 0.000 2.406 273 A HA 0.468 4.788 4.320 0.001 0.000 0.243 273 A C -0.514 177.032 177.584 -0.064 0.000 1.082 273 A CA 0.064 52.066 52.037 -0.060 0.000 0.786 273 A CB 0.312 19.289 19.000 -0.037 0.000 1.029 273 A HN 0.466 nan 8.150 nan 0.000 0.495 274 L N -0.069 121.117 121.223 -0.062 0.000 2.415 274 L HA 0.714 5.054 4.340 0.001 0.000 0.256 274 L C 0.710 177.557 176.870 -0.039 0.000 1.010 274 L CA 1.034 55.840 54.840 -0.055 0.000 0.826 274 L CB 1.962 43.977 42.059 -0.073 0.000 1.405 274 L HN 1.738 nan 8.230 nan 0.000 0.410 275 G N 1.940 110.721 108.800 -0.031 0.000 2.149 275 G HA2 -0.245 3.715 3.960 0.001 0.000 0.235 275 G HA3 -0.245 3.715 3.960 0.001 0.000 0.235 275 G C 0.530 175.421 174.900 -0.016 0.000 1.018 275 G CA 0.497 45.584 45.100 -0.022 0.000 0.728 275 G HN 0.600 nan 8.290 nan 0.000 0.508 276 R N -0.084 120.406 120.500 -0.017 0.000 2.586 276 R HA 0.494 4.835 4.340 0.001 0.000 0.336 276 R C 1.037 177.330 176.300 -0.012 0.000 1.060 276 R CA 0.400 56.492 56.100 -0.013 0.000 1.079 276 R CB 0.678 30.969 30.300 -0.015 0.000 1.317 276 R HN 1.496 nan 8.270 nan 0.000 0.568 277 G N 1.493 110.285 108.800 -0.013 0.000 2.617 277 G HA2 -0.144 3.817 3.960 0.001 0.000 0.686 277 G HA3 -0.144 3.817 3.960 0.001 0.000 0.686 277 G C -2.258 172.635 174.900 -0.013 0.000 1.214 277 G CA -0.986 44.107 45.100 -0.012 0.000 0.796 277 G HN -0.118 nan 8.290 nan 0.000 0.654 278 P HA -0.149 nan 4.420 nan 0.000 0.215 278 P C 2.082 179.375 177.300 -0.011 0.000 1.157 278 P CA 2.732 65.825 63.100 -0.011 0.000 0.868 278 P CB -0.044 31.650 31.700 -0.009 0.000 0.788 279 A N 0.153 122.967 122.820 -0.009 0.000 1.865 279 A HA -0.165 4.155 4.320 0.001 0.000 0.217 279 A C 2.477 180.055 177.584 -0.010 0.000 1.191 279 A CA 1.766 53.798 52.037 -0.008 0.000 0.623 279 A CB -1.583 17.413 19.000 -0.007 0.000 0.826 279 A HN 0.131 nan 8.150 nan 0.000 0.444 280 I N -0.292 120.271 120.570 -0.011 0.000 2.202 280 I HA -0.222 3.948 4.170 0.001 0.000 0.242 280 I C 1.856 177.963 176.117 -0.016 0.000 1.091 280 I CA 1.552 62.845 61.300 -0.012 0.000 1.368 280 I CB -0.557 37.436 38.000 -0.012 0.000 1.058 280 I HN 0.237 nan 8.210 nan 0.000 0.410 281 D N 0.458 120.848 120.400 -0.018 0.000 2.144 281 D HA -0.184 4.456 4.640 0.001 0.000 0.199 281 D C 2.183 178.470 176.300 -0.022 0.000 0.984 281 D CA 0.963 54.950 54.000 -0.023 0.000 0.834 281 D CB -0.268 40.517 40.800 -0.024 0.000 0.955 281 D HN 0.209 nan 8.370 nan 0.000 0.465 282 R N 0.051 120.541 120.500 -0.017 0.000 2.073 282 R HA -0.115 4.226 4.340 0.001 0.000 0.234 282 R C 2.136 178.428 176.300 -0.014 0.000 1.134 282 R CA 0.794 56.885 56.100 -0.015 0.000 0.952 282 R CB -0.427 29.867 30.300 -0.011 0.000 0.850 282 R HN 0.091 nan 8.270 nan 0.000 0.433 283 L N 0.794 122.009 121.223 -0.012 0.000 2.042 283 L HA -0.119 4.221 4.340 0.001 0.000 0.210 283 L C 2.395 179.258 176.870 -0.013 0.000 1.076 283 L CA 2.123 56.957 54.840 -0.010 0.000 0.749 283 L CB -0.685 41.368 42.059 -0.008 0.000 0.893 283 L HN 0.313 nan 8.230 nan 0.000 0.432 284 A N -0.826 121.983 122.820 -0.017 0.000 1.902 284 A HA -0.258 4.063 4.320 0.001 0.000 0.217 284 A C 2.486 180.054 177.584 -0.026 0.000 1.181 284 A CA 1.834 53.858 52.037 -0.022 0.000 0.623 284 A CB -0.568 18.415 19.000 -0.028 0.000 0.818 284 A HN 0.445 nan 8.150 nan 0.000 0.443 285 R N -0.278 120.206 120.500 -0.027 0.000 2.092 285 R HA -0.128 4.213 4.340 0.001 0.000 0.231 285 R C 1.423 177.709 176.300 -0.024 0.000 1.119 285 R CA 1.705 57.787 56.100 -0.030 0.000 0.970 285 R CB -0.299 29.984 30.300 -0.029 0.000 0.864 285 R HN 0.436 nan 8.270 nan 0.000 0.440 286 D N 0.384 120.774 120.400 -0.018 0.000 2.117 286 D HA -0.183 4.457 4.640 0.001 0.000 0.197 286 D C 1.383 177.676 176.300 -0.012 0.000 0.987 286 D CA 1.560 55.552 54.000 -0.013 0.000 0.829 286 D CB -0.354 40.441 40.800 -0.008 0.000 0.961 286 D HN 0.360 nan 8.370 nan 0.000 0.460 287 D N 0.297 120.690 120.400 -0.011 0.000 2.117 287 D HA -0.141 4.499 4.640 0.001 0.000 0.198 287 D C 2.119 178.412 176.300 -0.013 0.000 0.982 287 D CA 0.410 54.405 54.000 -0.008 0.000 0.828 287 D CB -0.229 40.568 40.800 -0.006 0.000 0.967 287 D HN 0.061 nan 8.370 nan 0.000 0.464 288 L N 0.890 122.100 121.223 -0.022 0.000 2.012 288 L HA -0.103 4.237 4.340 0.001 0.000 0.210 288 L C 1.772 178.618 176.870 -0.040 0.000 1.073 288 L CA 1.902 56.722 54.840 -0.032 0.000 0.748 288 L CB -0.537 41.497 42.059 -0.042 0.000 0.891 288 L HN 0.088 nan 8.230 nan 0.000 0.431 289 E N -1.513 118.665 120.200 -0.037 0.000 2.489 289 E HA -0.011 4.340 4.350 0.001 0.000 0.193 289 E C 1.518 178.104 176.600 -0.023 0.000 1.057 289 E CA 0.688 57.064 56.400 -0.041 0.000 0.866 289 E CB 0.088 29.765 29.700 -0.038 0.000 0.916 289 E HN 0.695 nan 8.360 nan 0.000 0.500 290 S N -0.479 115.214 115.700 -0.012 0.000 2.604 290 S HA 0.016 4.487 4.470 0.001 0.000 0.235 290 S C 0.613 175.219 174.600 0.010 0.000 1.043 290 S CA -0.549 57.652 58.200 0.002 0.000 0.997 290 S CB 0.000 63.203 63.200 0.004 0.000 0.956 290 S HN 0.031 nan 8.310 nan 0.000 0.535 291 N N 2.665 121.369 118.700 0.007 0.000 2.417 291 N HA 0.104 4.844 4.740 0.001 0.000 0.272 291 N C 0.620 176.147 175.510 0.029 0.000 1.304 291 N CA 0.352 53.412 53.050 0.017 0.000 0.906 291 N CB 0.726 39.221 38.487 0.014 0.000 1.135 291 N HN 0.312 nan 8.380 nan 0.000 0.483 292 S N 4.096 119.817 115.700 0.035 0.000 2.365 292 S HA -0.195 4.276 4.470 0.001 0.000 0.225 292 S C 1.723 176.358 174.600 0.060 0.000 1.039 292 S CA 1.166 59.394 58.200 0.047 0.000 1.033 292 S CB -0.077 63.148 63.200 0.043 0.000 0.887 292 S HN 0.710 nan 8.310 nan 0.000 0.447 293 K N 1.127 121.561 120.400 0.056 0.000 2.032 293 K HA -0.174 4.147 4.320 0.001 0.000 0.209 293 K C 2.010 178.659 176.600 0.080 0.000 1.048 293 K CA 1.668 57.996 56.287 0.067 0.000 0.927 293 K CB -0.186 32.347 32.500 0.056 0.000 0.712 293 K HN 0.374 nan 8.250 nan 0.000 0.441 294 E N 0.344 120.583 120.200 0.065 0.000 2.106 294 E HA -0.140 4.210 4.350 0.001 0.000 0.192 294 E C 2.078 178.734 176.600 0.092 0.000 0.984 294 E CA 1.201 57.642 56.400 0.068 0.000 0.806 294 E CB -0.027 29.692 29.700 0.031 0.000 0.750 294 E HN 0.365 nan 8.360 nan 0.000 0.458 295 I N 0.310 120.928 120.570 0.080 0.000 2.202 295 I HA -0.250 3.920 4.170 0.001 0.000 0.242 295 I C 2.263 178.470 176.117 0.149 0.000 1.091 295 I CA 0.724 62.087 61.300 0.106 0.000 1.368 295 I CB -0.163 37.882 38.000 0.075 0.000 1.058 295 I HN 0.007 nan 8.210 nan 0.000 0.410 296 V N 0.568 120.556 119.914 0.125 0.000 2.295 296 V HA -0.242 3.878 4.120 0.001 0.000 0.246 296 V C 2.487 178.665 176.094 0.140 0.000 1.049 296 V CA 1.738 64.113 62.300 0.124 0.000 1.024 296 V CB -0.644 31.250 31.823 0.119 0.000 0.648 296 V HN 0.387 nan 8.190 nan 0.000 0.447 297 E N -0.448 119.848 120.200 0.160 0.000 2.106 297 E HA -0.219 4.131 4.350 0.001 0.000 0.192 297 E C 2.131 178.834 176.600 0.172 0.000 0.984 297 E CA 1.469 57.972 56.400 0.172 0.000 0.806 297 E CB -0.460 29.340 29.700 0.167 0.000 0.750 297 E HN 0.781 nan 8.360 nan 0.000 0.458 298 H N 0.831 119.951 119.070 0.082 0.000 2.357 298 H HA 0.041 4.597 4.556 0.001 0.000 0.301 298 H C 1.851 177.250 175.328 0.119 0.000 1.082 298 H CA 1.871 57.966 56.048 0.079 0.000 1.342 298 H CB -0.143 29.642 29.762 0.039 0.000 1.389 298 H HN 0.117 nan 8.280 nan 0.000 0.511 299 A N 0.693 123.571 122.820 0.096 0.000 1.883 299 A HA -0.137 4.183 4.320 0.001 0.000 0.217 299 A C 2.594 180.180 177.584 0.003 0.000 1.186 299 A CA 1.781 53.864 52.037 0.076 0.000 0.624 299 A CB -0.904 18.177 19.000 0.134 0.000 0.822 299 A HN 0.511 nan 8.150 nan 0.000 0.444 300 I N -0.299 120.280 120.570 0.016 0.000 2.286 300 I HA -0.211 3.959 4.170 0.001 0.000 0.248 300 I C 2.597 178.708 176.117 -0.010 0.000 1.115 300 I CA 1.409 62.702 61.300 -0.012 0.000 1.392 300 I CB -0.234 37.752 38.000 -0.023 0.000 1.065 300 I HN 0.230 nan 8.210 nan 0.000 0.418 301 S N 0.213 115.911 115.700 -0.003 0.000 2.383 301 S HA -0.105 4.365 4.470 0.001 0.000 0.227 301 S C 2.094 176.668 174.600 -0.044 0.000 1.026 301 S CA 0.956 59.155 58.200 -0.002 0.000 0.981 301 S CB -0.149 63.074 63.200 0.040 0.000 0.818 301 S HN 0.211 nan 8.310 nan 0.000 0.472 302 V N 1.859 121.698 119.914 -0.125 0.000 2.358 302 V HA -0.146 3.974 4.120 0.001 0.000 0.246 302 V C 2.496 178.564 176.094 -0.044 0.000 1.047 302 V CA 1.775 64.015 62.300 -0.100 0.000 1.035 302 V CB -0.578 31.177 31.823 -0.112 0.000 0.658 302 V HN 0.379 nan 8.190 nan 0.000 0.452 303 R N -0.012 120.463 120.500 -0.042 0.000 2.083 303 R HA -0.192 4.148 4.340 0.001 0.000 0.237 303 R C 2.644 178.935 176.300 -0.014 0.000 1.137 303 R CA 1.945 58.025 56.100 -0.032 0.000 0.951 303 R CB -0.497 29.783 30.300 -0.034 0.000 0.851 303 R HN 0.478 nan 8.270 nan 0.000 0.434 304 S N -0.358 115.339 115.700 -0.005 0.000 2.359 304 S HA -0.128 4.343 4.470 0.001 0.000 0.224 304 S C 1.925 176.539 174.600 0.024 0.000 1.035 304 S CA 1.872 60.081 58.200 0.015 0.000 1.018 304 S CB -0.226 62.989 63.200 0.025 0.000 0.876 304 S HN 0.477 nan 8.310 nan 0.000 0.448 305 S N 1.427 117.139 115.700 0.019 0.000 2.382 305 S HA 0.014 4.485 4.470 0.001 0.000 0.228 305 S C 1.794 176.408 174.600 0.023 0.000 1.027 305 S CA 1.316 59.533 58.200 0.029 0.000 0.991 305 S CB -0.504 62.713 63.200 0.028 0.000 0.823 305 S HN 0.452 nan 8.310 nan 0.000 0.469 306 L N 1.279 122.508 121.223 0.009 0.000 2.017 306 L HA -0.154 4.186 4.340 0.001 0.000 0.208 306 L C 2.591 179.465 176.870 0.007 0.000 1.073 306 L CA 1.362 56.204 54.840 0.003 0.000 0.745 306 L CB -0.563 41.488 42.059 -0.013 0.000 0.894 306 L HN 0.361 nan 8.230 nan 0.000 0.432 307 E N -0.154 120.051 120.200 0.009 0.000 2.058 307 E HA -0.253 4.097 4.350 0.001 0.000 0.194 307 E C 2.046 178.659 176.600 0.023 0.000 0.997 307 E CA 1.425 57.833 56.400 0.014 0.000 0.801 307 E CB -0.118 29.592 29.700 0.017 0.000 0.746 307 E HN 0.551 nan 8.360 nan 0.000 0.450 308 E N 0.711 120.931 120.200 0.033 0.000 2.072 308 E HA -0.141 4.209 4.350 0.001 0.000 0.191 308 E C 2.231 178.850 176.600 0.031 0.000 0.985 308 E CA 0.600 57.023 56.400 0.040 0.000 0.801 308 E CB -0.102 29.633 29.700 0.057 0.000 0.750 308 E HN 0.252 nan 8.360 nan 0.000 0.452 309 I N 1.121 121.708 120.570 0.028 0.000 2.394 309 I HA -0.217 3.953 4.170 0.001 0.000 0.251 309 I C 1.894 178.019 176.117 0.014 0.000 1.136 309 I CA 1.071 62.385 61.300 0.023 0.000 1.425 309 I CB 0.056 38.070 38.000 0.024 0.000 1.079 309 I HN 0.068 nan 8.210 nan 0.000 0.425 310 T N 0.434 114.994 114.554 0.012 0.000 2.881 310 T HA -0.159 4.191 4.350 0.001 0.000 0.270 310 T C 1.350 176.053 174.700 0.005 0.000 1.068 310 T CA 1.339 63.443 62.100 0.006 0.000 1.131 310 T CB -0.303 68.567 68.868 0.004 0.000 0.871 310 T HN 0.400 nan 8.240 nan 0.000 0.479 311 D N 1.263 121.668 120.400 0.008 0.000 2.310 311 D HA -0.033 4.607 4.640 0.001 0.000 0.212 311 D C 1.395 177.695 176.300 0.001 0.000 0.965 311 D CA 0.780 54.783 54.000 0.005 0.000 0.879 311 D CB 0.013 40.818 40.800 0.007 0.000 0.921 311 D HN 0.572 nan 8.370 nan 0.000 0.510 312 I N -3.706 116.865 120.570 0.002 0.000 4.102 312 I HA 0.409 4.580 4.170 0.001 0.000 0.325 312 I C 0.266 176.382 176.117 -0.002 0.000 1.471 312 I CA -0.904 60.395 61.300 -0.002 0.000 1.133 312 I CB 0.432 38.431 38.000 -0.001 0.000 1.184 312 I HN -0.240 nan 8.210 nan 0.000 0.451 313 A N 0.496 123.316 122.820 -0.000 0.000 2.299 313 A HA 0.711 5.032 4.320 0.001 0.000 0.332 313 A C -0.185 177.397 177.584 -0.003 0.000 1.131 313 A CA -0.542 51.494 52.037 -0.001 0.000 0.844 313 A CB 0.606 19.607 19.000 0.002 0.000 1.251 313 A HN 0.358 nan 8.150 nan 0.000 0.486 314 E N 1.271 121.469 120.200 -0.004 0.000 2.376 314 E HA 0.209 4.560 4.350 0.001 0.000 0.266 314 E C -2.302 174.296 176.600 -0.004 0.000 1.009 314 E CA -1.369 55.028 56.400 -0.004 0.000 0.902 314 E CB -0.001 29.696 29.700 -0.005 0.000 0.972 314 E HN 0.309 nan 8.360 nan 0.000 0.439 315 P HA -0.120 nan 4.420 nan 0.000 0.261 315 P C 0.527 177.825 177.300 -0.004 0.000 1.165 315 P CA 1.125 64.222 63.100 -0.004 0.000 0.759 315 P CB 0.321 32.018 31.700 -0.004 0.000 0.772 316 G N 2.623 111.421 108.800 -0.005 0.000 2.168 316 G HA2 -0.306 3.654 3.960 0.001 0.000 0.257 316 G HA3 -0.306 3.654 3.960 0.001 0.000 0.257 316 G C 0.909 175.807 174.900 -0.005 0.000 0.997 316 G CA 0.613 45.710 45.100 -0.006 0.000 0.708 316 G HN 0.630 nan 8.290 nan 0.000 0.520 317 S N -1.390 114.308 115.700 -0.003 0.000 2.502 317 S HA 0.669 5.139 4.470 0.001 0.000 0.215 317 S C 1.332 175.932 174.600 -0.000 0.000 1.009 317 S CA 1.167 59.366 58.200 -0.002 0.000 0.908 317 S CB 0.533 63.732 63.200 -0.001 0.000 0.801 317 S HN 1.816 nan 8.310 nan 0.000 0.505 318 A N 1.428 124.247 122.820 -0.001 0.000 2.440 318 A HA 0.783 5.103 4.320 0.001 0.000 0.251 318 A C 0.281 177.863 177.584 -0.003 0.000 1.089 318 A CA 0.123 52.160 52.037 0.000 0.000 0.779 318 A CB 0.042 19.042 19.000 -0.001 0.000 1.022 318 A HN 1.222 nan 8.150 nan 0.000 0.492 319 A N 1.735 124.556 122.820 0.001 0.000 2.612 319 A HA 0.611 4.932 4.320 0.001 0.000 0.293 319 A C -1.111 176.479 177.584 0.009 0.000 1.075 319 A CA -0.449 51.586 52.037 -0.003 0.000 0.680 319 A CB 0.967 19.967 19.000 0.000 0.000 1.279 319 A HN 1.230 nan 8.150 nan 0.000 0.411 320 V N 2.440 122.356 119.914 0.003 0.000 2.370 320 V HA 0.514 4.634 4.120 0.001 0.000 0.279 320 V C 0.023 176.156 176.094 0.064 0.000 1.029 320 V CA -0.153 62.170 62.300 0.038 0.000 0.870 320 V CB 0.715 32.545 31.823 0.012 0.000 0.984 320 V HN 0.777 nan 8.190 nan 0.000 0.451 321 I N 0.536 121.158 120.570 0.086 0.000 2.530 321 I HA 0.656 4.826 4.170 0.001 0.000 0.297 321 I C -0.102 176.087 176.117 0.121 0.000 1.011 321 I CA -0.642 60.710 61.300 0.087 0.000 1.107 321 I CB 1.842 39.877 38.000 0.059 0.000 1.285 321 I HN 0.542 nan 8.210 nan 0.000 0.436 322 D N 3.105 123.577 120.400 0.121 0.000 2.723 322 D HA -0.264 4.376 4.640 0.001 0.000 0.236 322 D C -0.363 176.036 176.300 0.165 0.000 1.138 322 D CA 0.855 54.925 54.000 0.117 0.000 0.676 322 D CB -1.057 39.790 40.800 0.078 0.000 1.069 322 D HN 0.612 nan 8.370 nan 0.000 0.430 323 F N 0.897 120.883 119.950 0.059 0.000 2.612 323 F HA 0.013 4.541 4.527 0.001 0.000 0.389 323 F C 1.493 177.350 175.800 0.096 0.000 1.055 323 F CA 0.263 58.314 58.000 0.085 0.000 1.232 323 F CB 0.124 39.161 39.000 0.061 0.000 1.044 323 F HN 0.186 nan 8.300 nan 0.000 0.560 324 M N 4.145 123.445 119.600 -0.500 0.000 2.253 324 M HA -0.218 4.262 4.480 0.001 0.000 0.195 324 M C -0.154 176.018 176.300 -0.214 0.000 0.512 324 M CA 1.024 56.035 55.300 -0.481 0.000 0.442 324 M CB -2.067 30.065 32.600 -0.780 0.000 1.189 324 M HN 0.730 nan 8.290 nan 0.000 0.923 325 T N -2.570 111.919 114.554 -0.108 0.000 2.925 325 T HA 0.733 5.083 4.350 0.001 0.000 0.285 325 T C 0.122 174.792 174.700 -0.050 0.000 1.021 325 T CA -1.068 61.002 62.100 -0.051 0.000 1.042 325 T CB 2.488 71.354 68.868 -0.003 0.000 1.037 325 T HN 0.119 nan 8.240 nan 0.000 0.481 326 V N 2.615 122.508 119.914 -0.034 0.000 2.439 326 V HA 0.473 4.593 4.120 0.001 0.000 0.282 326 V C 0.387 176.481 176.094 -0.000 0.000 1.039 326 V CA -0.811 61.474 62.300 -0.024 0.000 0.913 326 V CB 1.123 32.926 31.823 -0.033 0.000 0.983 326 V HN 0.804 nan 8.190 nan 0.000 0.460 327 R N 3.459 123.974 120.500 0.026 0.000 2.360 327 R HA 0.403 4.744 4.340 0.001 0.000 0.318 327 R C -0.593 175.725 176.300 0.030 0.000 0.950 327 R CA -0.490 55.637 56.100 0.045 0.000 0.837 327 R CB 1.655 32.009 30.300 0.090 0.000 1.165 327 R HN 0.719 nan 8.270 nan 0.000 0.458 328 E N 3.258 123.458 120.200 0.001 0.000 2.229 328 E HA 0.177 4.527 4.350 0.001 0.000 0.283 328 E C 0.000 176.594 176.600 -0.011 0.000 1.030 328 E CA -0.361 56.022 56.400 -0.027 0.000 0.836 328 E CB 1.141 30.825 29.700 -0.028 0.000 1.068 328 E HN 0.126 nan 8.360 nan 0.000 0.401 329 R N 2.534 123.015 120.500 -0.032 0.000 2.886 329 R HA 0.228 4.568 4.340 0.001 0.000 0.306 329 R C 0.649 176.928 176.300 -0.035 0.000 1.300 329 R CA 0.064 56.162 56.100 -0.004 0.000 1.441 329 R CB 0.515 30.860 30.300 0.074 0.000 1.328 329 R HN 0.932 nan 8.270 nan 0.000 0.629 330 G N 1.323 110.098 108.800 -0.041 0.000 3.879 330 G HA2 -0.464 3.496 3.960 0.001 0.000 0.318 330 G HA3 -0.464 3.496 3.960 0.001 0.000 0.318 330 G C 0.974 175.842 174.900 -0.053 0.000 1.344 330 G CA 0.935 46.006 45.100 -0.047 0.000 1.024 330 G HN 0.461 nan 8.290 nan 0.000 0.681 331 S N 0.491 116.158 115.700 -0.055 0.000 2.522 331 S HA 0.446 4.917 4.470 0.001 0.000 0.227 331 S C 0.955 175.512 174.600 -0.071 0.000 0.986 331 S CA 1.625 59.798 58.200 -0.044 0.000 0.929 331 S CB -0.216 62.971 63.200 -0.022 0.000 0.769 331 S HN 2.218 nan 8.310 nan 0.000 0.529 332 V N -1.316 118.527 119.914 -0.118 0.000 3.181 332 V HA 0.725 4.845 4.120 0.001 0.000 0.308 332 V C -1.796 174.120 176.094 -0.297 0.000 1.214 332 V CA -1.334 60.840 62.300 -0.211 0.000 1.053 332 V CB 1.830 33.484 31.823 -0.282 0.000 1.069 332 V HN 0.438 nan 8.190 nan 0.000 0.441 333 Q N 0.173 119.761 119.800 -0.354 0.000 2.323 333 Q HA 0.706 5.046 4.340 0.001 0.000 0.271 333 Q C -1.604 174.174 176.000 -0.371 0.000 1.048 333 Q CA -0.723 54.904 55.803 -0.292 0.000 0.792 333 Q CB 2.344 30.999 28.738 -0.139 0.000 1.280 333 Q HN 0.939 nan 8.270 nan 0.000 0.441 334 H N 0.833 119.883 119.070 -0.033 0.000 2.569 334 H HA 0.601 5.157 4.556 0.001 0.000 0.357 334 H C -1.300 173.984 175.328 -0.073 0.000 1.153 334 H CA -0.941 55.080 56.048 -0.045 0.000 1.193 334 H CB 1.952 31.695 29.762 -0.031 0.000 1.602 334 H HN 0.538 nan 8.280 nan 0.000 0.523 335 L N 1.706 122.940 121.223 0.020 0.000 2.322 335 L HA 0.752 5.093 4.340 0.001 0.000 0.281 335 L C 0.060 176.810 176.870 -0.200 0.000 1.014 335 L CA 0.289 55.063 54.840 -0.110 0.000 0.815 335 L CB 0.950 42.909 42.059 -0.167 0.000 1.247 335 L HN 0.870 nan 8.230 nan 0.000 0.421 336 G N 2.028 110.704 108.800 -0.207 0.000 2.548 336 G HA2 0.665 4.625 3.960 0.001 0.000 0.301 336 G HA3 0.665 4.625 3.960 0.001 0.000 0.301 336 G C -1.825 173.086 174.900 0.019 0.000 1.349 336 G CA -0.484 44.512 45.100 -0.172 0.000 0.792 336 G HN 0.649 nan 8.290 nan 0.000 0.481 337 S N -1.396 114.437 115.700 0.221 0.000 2.588 337 S HA 0.805 5.275 4.470 0.001 0.000 0.275 337 S C -0.955 173.747 174.600 0.169 0.000 1.130 337 S CA -0.554 57.791 58.200 0.241 0.000 0.855 337 S CB 2.139 65.573 63.200 0.390 0.000 1.116 337 S HN 0.689 nan 8.310 nan 0.000 0.472 338 T N 1.969 116.608 114.554 0.141 0.000 2.786 338 T HA 0.572 4.922 4.350 0.001 0.000 0.283 338 T C -0.767 173.987 174.700 0.090 0.000 0.992 338 T CA -0.274 61.885 62.100 0.098 0.000 0.954 338 T CB 0.336 69.249 68.868 0.075 0.000 0.934 338 T HN 0.303 nan 8.240 nan 0.000 0.440 339 I N 3.297 123.910 120.570 0.072 0.000 2.359 339 I HA 0.541 4.711 4.170 0.001 0.000 0.294 339 I C 0.339 176.481 176.117 0.041 0.000 0.987 339 I CA -0.462 60.870 61.300 0.053 0.000 1.225 339 I CB 1.293 39.320 38.000 0.045 0.000 1.366 339 I HN 0.405 nan 8.210 nan 0.000 0.466 340 R N 4.746 125.265 120.500 0.032 0.000 2.837 340 R HA 0.972 5.312 4.340 0.001 0.000 0.271 340 R C -1.583 174.727 176.300 0.017 0.000 0.993 340 R CA -0.617 55.498 56.100 0.025 0.000 0.931 340 R CB 2.169 32.483 30.300 0.024 0.000 1.206 340 R HN 0.768 nan 8.270 nan 0.000 0.474 341 A N 2.160 124.988 122.820 0.013 0.000 2.536 341 A HA 0.641 4.961 4.320 0.001 0.000 0.293 341 A C -1.732 175.855 177.584 0.005 0.000 1.119 341 A CA -0.862 51.180 52.037 0.008 0.000 0.654 341 A CB 1.462 20.467 19.000 0.008 0.000 1.291 341 A HN 0.611 nan 8.150 nan 0.000 0.439 342 R N -0.192 120.309 120.500 0.001 0.000 2.387 342 R HA 0.585 4.926 4.340 0.001 0.000 0.314 342 R C -0.763 175.535 176.300 -0.004 0.000 0.958 342 R CA -0.644 55.455 56.100 -0.002 0.000 0.846 342 R CB 1.228 31.526 30.300 -0.003 0.000 1.147 342 R HN 0.662 nan 8.270 nan 0.000 0.447 343 L N 2.946 124.165 121.223 -0.006 0.000 2.513 343 L HA 0.066 4.406 4.340 0.001 0.000 0.272 343 L C 0.041 176.905 176.870 -0.010 0.000 1.187 343 L CA 0.508 55.343 54.840 -0.009 0.000 0.895 343 L CB 0.247 42.298 42.059 -0.014 0.000 1.147 343 L HN 0.561 nan 8.230 nan 0.000 0.483 344 D N 7.382 127.777 120.400 -0.009 0.000 2.455 344 D HA 0.007 4.647 4.640 0.001 0.000 0.241 344 D C -1.618 174.675 176.300 -0.013 0.000 1.138 344 D CA -1.118 52.877 54.000 -0.010 0.000 0.877 344 D CB 1.468 42.263 40.800 -0.009 0.000 1.187 344 D HN 0.457 nan 8.370 nan 0.000 0.451 345 P HA -0.137 nan 4.420 nan 0.000 0.226 345 P C 0.920 178.211 177.300 -0.016 0.000 1.146 345 P CA 0.822 63.914 63.100 -0.015 0.000 0.773 345 P CB 0.140 31.832 31.700 -0.013 0.000 0.772 346 S N -2.752 112.939 115.700 -0.015 0.000 2.548 346 S HA 0.117 4.588 4.470 0.001 0.000 0.215 346 S C 1.119 175.708 174.600 -0.018 0.000 0.976 346 S CA -0.281 57.909 58.200 -0.016 0.000 0.908 346 S CB -0.381 62.811 63.200 -0.013 0.000 0.781 346 S HN 0.054 nan 8.310 nan 0.000 0.519 347 S N 1.339 117.028 115.700 -0.018 0.000 2.747 347 S HA 0.639 5.110 4.470 0.001 0.000 0.300 347 S C -1.193 173.392 174.600 -0.025 0.000 1.121 347 S CA -0.474 57.713 58.200 -0.021 0.000 0.995 347 S CB 1.264 64.454 63.200 -0.017 0.000 1.113 347 S HN 0.673 nan 8.310 nan 0.000 0.547 348 D N -1.079 119.303 120.400 -0.029 0.000 2.610 348 D HA 0.344 4.984 4.640 0.001 0.000 0.271 348 D C 0.847 177.123 176.300 -0.041 0.000 1.174 348 D CA -0.865 53.113 54.000 -0.038 0.000 0.949 348 D CB 0.498 41.271 40.800 -0.045 0.000 1.430 348 D HN 0.508 nan 8.370 nan 0.000 0.467 349 R N -0.577 119.891 120.500 -0.053 0.000 2.127 349 R HA -0.148 4.192 4.340 0.001 0.000 0.238 349 R C 1.342 177.604 176.300 -0.063 0.000 1.134 349 R CA 1.159 57.223 56.100 -0.060 0.000 0.975 349 R CB -0.577 29.674 30.300 -0.081 0.000 0.865 349 R HN 0.369 nan 8.270 nan 0.000 0.447 350 M N 1.163 120.722 119.600 -0.068 0.000 2.254 350 M HA 0.122 4.602 4.480 0.001 0.000 0.265 350 M C 2.202 178.492 176.300 -0.017 0.000 1.066 350 M CA 1.485 56.750 55.300 -0.058 0.000 1.123 350 M CB -0.187 32.374 32.600 -0.065 0.000 1.388 350 M HN 0.359 nan 8.290 nan 0.000 0.425 351 A N -0.823 121.982 122.820 -0.025 0.000 2.014 351 A HA 0.138 4.459 4.320 0.001 0.000 0.218 351 A C 2.282 179.863 177.584 -0.004 0.000 1.163 351 A CA 1.571 53.596 52.037 -0.020 0.000 0.652 351 A CB -1.010 17.975 19.000 -0.026 0.000 0.808 351 A HN 0.494 nan 8.150 nan 0.000 0.449 352 A N -0.350 122.468 122.820 -0.003 0.000 1.873 352 A HA 0.025 4.345 4.320 0.001 0.000 0.215 352 A C 2.093 179.702 177.584 0.043 0.000 1.186 352 A CA 1.590 53.635 52.037 0.013 0.000 0.616 352 A CB -0.596 18.405 19.000 0.001 0.000 0.823 352 A HN 0.614 nan 8.150 nan 0.000 0.442 353 L N 0.982 122.223 121.223 0.031 0.000 2.046 353 L HA -0.184 4.156 4.340 0.001 0.000 0.208 353 L C 2.483 179.446 176.870 0.156 0.000 1.077 353 L CA 2.753 57.630 54.840 0.062 0.000 0.747 353 L CB -0.643 41.370 42.059 -0.077 0.000 0.896 353 L HN 0.683 nan 8.230 nan 0.000 0.432 354 E N -0.886 119.391 120.200 0.127 0.000 2.274 354 E HA -0.124 4.226 4.350 0.001 0.000 0.194 354 E C 1.844 178.486 176.600 0.070 0.000 0.996 354 E CA 0.884 57.343 56.400 0.099 0.000 0.840 354 E CB -0.376 29.267 29.700 -0.094 0.000 0.772 354 E HN 0.505 nan 8.360 nan 0.000 0.491 355 A N 1.460 124.317 122.820 0.060 0.000 2.014 355 A HA 0.043 4.364 4.320 0.001 0.000 0.218 355 A C 2.039 179.678 177.584 0.092 0.000 1.163 355 A CA 0.621 52.685 52.037 0.045 0.000 0.652 355 A CB -0.238 18.781 19.000 0.030 0.000 0.808 355 A HN 0.274 nan 8.150 nan 0.000 0.449 356 L N -1.963 119.349 121.223 0.147 0.000 2.728 356 L HA 0.359 4.700 4.340 0.001 0.000 0.238 356 L C -0.305 176.697 176.870 0.220 0.000 1.143 356 L CA -0.306 54.629 54.840 0.158 0.000 0.937 356 L CB 0.218 42.362 42.059 0.141 0.000 1.225 356 L HN 0.245 nan 8.230 nan 0.000 0.507 357 F N 1.087 121.076 119.950 0.066 0.000 2.469 357 F HA 0.502 5.029 4.527 0.001 0.000 0.332 357 F C -2.206 173.626 175.800 0.053 0.000 1.103 357 F CA -2.487 55.560 58.000 0.079 0.000 0.979 357 F CB 1.538 40.627 39.000 0.148 0.000 1.137 357 F HN -0.236 nan 8.300 nan 0.000 0.463 358 P HA 0.265 nan 4.420 nan 0.000 0.276 358 P C -1.320 175.840 177.300 -0.234 0.000 1.252 358 P CA -0.503 62.341 63.100 -0.427 0.000 0.802 358 P CB 0.656 32.160 31.700 -0.328 0.000 1.035 359 A N 1.637 124.260 122.820 -0.329 0.000 2.567 359 A HA -0.008 4.313 4.320 0.001 0.000 0.240 359 A C 1.601 179.169 177.584 -0.026 0.000 1.053 359 A CA 0.040 52.001 52.037 -0.126 0.000 0.755 359 A CB -0.574 18.352 19.000 -0.123 0.000 0.978 359 A HN 0.519 nan 8.150 nan 0.000 0.507 360 V N 3.246 123.170 119.914 0.016 0.000 2.594 360 V HA -0.190 3.930 4.120 0.001 0.000 0.253 360 V C 2.414 178.536 176.094 0.047 0.000 1.069 360 V CA 3.017 65.342 62.300 0.041 0.000 1.082 360 V CB -0.848 31.005 31.823 0.050 0.000 0.680 360 V HN 1.158 nan 8.190 nan 0.000 0.469 361 T N -2.323 112.256 114.554 0.042 0.000 3.085 361 T HA 0.196 4.546 4.350 0.001 0.000 0.263 361 T C 1.268 175.990 174.700 0.037 0.000 1.127 361 T CA 0.961 63.093 62.100 0.054 0.000 1.103 361 T CB -0.004 68.900 68.868 0.060 0.000 0.921 361 T HN 0.644 nan 8.240 nan 0.000 0.510 362 A N 0.533 123.360 122.820 0.012 0.000 2.545 362 A HA 0.614 4.935 4.320 0.001 0.000 0.263 362 A C 1.864 179.460 177.584 0.020 0.000 1.202 362 A CA 0.312 52.340 52.037 -0.014 0.000 0.959 362 A CB 0.269 19.207 19.000 -0.104 0.000 1.124 362 A HN 0.543 nan 8.150 nan 0.000 0.543 363 S N -1.356 114.381 115.700 0.061 0.000 3.214 363 S HA 0.724 5.194 4.470 0.001 0.000 0.182 363 S C 0.874 175.492 174.600 0.030 0.000 0.728 363 S CA 0.526 58.783 58.200 0.095 0.000 0.814 363 S CB 0.094 63.378 63.200 0.141 0.000 0.859 363 S HN 1.652 nan 8.310 nan 0.000 0.647 364 G N 0.339 109.152 108.800 0.022 0.000 2.315 364 G HA2 0.462 4.423 3.960 0.001 0.000 0.294 364 G HA3 0.462 4.423 3.960 0.001 0.000 0.294 364 G C -2.307 172.613 174.900 0.034 0.000 1.300 364 G CA -0.701 44.408 45.100 0.015 0.000 0.843 364 G HN 0.406 nan 8.290 nan 0.000 0.527 365 I N 1.078 121.701 120.570 0.089 0.000 2.512 365 I HA 0.362 4.533 4.170 0.001 0.000 0.287 365 I C -2.570 173.645 176.117 0.164 0.000 1.069 365 I CA -2.121 59.247 61.300 0.113 0.000 1.056 365 I CB 1.949 40.051 38.000 0.170 0.000 1.229 365 I HN 0.125 nan 8.210 nan 0.000 0.429 366 P HA 0.236 nan 4.420 nan 0.000 0.272 366 P C 0.758 178.018 177.300 -0.066 0.000 1.223 366 P CA -0.281 62.830 63.100 0.018 0.000 0.784 366 P CB 1.137 32.847 31.700 0.016 0.000 0.923 367 K N 1.858 122.196 120.400 -0.104 0.000 2.020 367 K HA -0.231 4.090 4.320 0.001 0.000 0.212 367 K C 1.958 178.243 176.600 -0.525 0.000 1.050 367 K CA 2.151 58.304 56.287 -0.223 0.000 0.929 367 K CB -0.799 31.632 32.500 -0.116 0.000 0.714 367 K HN 0.471 nan 8.250 nan 0.000 0.443 368 A N 1.467 123.825 122.820 -0.770 0.000 1.892 368 A HA -0.232 4.088 4.320 0.001 0.000 0.218 368 A C 2.367 179.740 177.584 -0.353 0.000 1.188 368 A CA 2.301 53.834 52.037 -0.840 0.000 0.631 368 A CB -0.801 17.941 19.000 -0.431 0.000 0.822 368 A HN 0.414 nan 8.150 nan 0.000 0.447 369 A N -0.875 121.818 122.820 -0.212 0.000 1.929 369 A HA 0.218 4.538 4.320 0.001 0.000 0.216 369 A C 2.404 179.809 177.584 -0.299 0.000 1.176 369 A CA 1.750 53.701 52.037 -0.142 0.000 0.628 369 A CB -1.288 17.712 19.000 0.000 0.000 0.816 369 A HN 0.736 nan 8.150 nan 0.000 0.444 370 G N -0.354 108.266 108.800 -0.300 0.000 2.421 370 G HA2 -0.126 3.834 3.960 0.001 0.000 0.216 370 G HA3 -0.126 3.834 3.960 0.001 0.000 0.216 370 G C 1.512 176.289 174.900 -0.205 0.000 1.171 370 G CA 1.266 46.172 45.100 -0.323 0.000 0.775 370 G HN 0.293 nan 8.290 nan 0.000 0.543 371 V N 0.751 120.580 119.914 -0.142 0.000 2.343 371 V HA -0.160 3.961 4.120 0.001 0.000 0.247 371 V C 2.765 178.854 176.094 -0.008 0.000 1.051 371 V CA 2.081 64.359 62.300 -0.038 0.000 1.036 371 V CB -0.266 31.530 31.823 -0.046 0.000 0.654 371 V HN 0.376 nan 8.190 nan 0.000 0.451 372 E N 0.587 120.810 120.200 0.039 0.000 2.077 372 E HA -0.223 4.128 4.350 0.001 0.000 0.193 372 E C 2.266 178.940 176.600 0.123 0.000 0.989 372 E CA 1.715 58.229 56.400 0.190 0.000 0.800 372 E CB -0.220 29.534 29.700 0.089 0.000 0.746 372 E HN 0.529 nan 8.360 nan 0.000 0.452 373 A N 0.922 123.699 122.820 -0.072 0.000 1.969 373 A HA -0.111 4.209 4.320 0.001 0.000 0.218 373 A C 2.386 179.955 177.584 -0.025 0.000 1.169 373 A CA 1.101 53.082 52.037 -0.094 0.000 0.635 373 A CB -0.575 18.176 19.000 -0.416 0.000 0.810 373 A HN 0.300 nan 8.150 nan 0.000 0.445 374 I N -1.731 118.800 120.570 -0.065 0.000 2.286 374 I HA -0.236 3.934 4.170 0.001 0.000 0.248 374 I C 2.078 178.182 176.117 -0.022 0.000 1.115 374 I CA 1.115 62.367 61.300 -0.080 0.000 1.392 374 I CB -0.324 37.584 38.000 -0.153 0.000 1.065 374 I HN 0.277 nan 8.210 nan 0.000 0.418 375 F N 1.068 121.062 119.950 0.073 0.000 2.216 375 F HA -0.169 4.359 4.527 0.001 0.000 0.300 375 F C 2.552 178.380 175.800 0.047 0.000 1.085 375 F CA 1.466 59.512 58.000 0.076 0.000 1.326 375 F CB -0.422 38.623 39.000 0.075 0.000 1.027 375 F HN -0.040 nan 8.300 nan 0.000 0.497 376 R N -0.811 119.820 120.500 0.219 0.000 2.156 376 R HA 0.176 4.516 4.340 0.001 0.000 0.207 376 R C 1.519 177.873 176.300 0.089 0.000 1.040 376 R CA 0.620 56.801 56.100 0.135 0.000 1.013 376 R CB -0.036 30.332 30.300 0.113 0.000 0.931 376 R HN 0.268 nan 8.270 nan 0.000 0.465 377 L N -0.156 121.110 121.223 0.071 0.000 2.693 377 L HA 0.271 4.611 4.340 0.001 0.000 0.235 377 L C -0.303 176.591 176.870 0.041 0.000 1.127 377 L CA -0.096 54.773 54.840 0.048 0.000 0.914 377 L CB 0.304 42.388 42.059 0.041 0.000 1.193 377 L HN -0.023 nan 8.230 nan 0.000 0.502 378 D N -0.126 120.298 120.400 0.039 0.000 2.423 378 D HA 0.250 4.890 4.640 0.001 0.000 0.235 378 D C -0.556 175.761 176.300 0.028 0.000 1.011 378 D CA -0.487 53.530 54.000 0.028 0.000 0.963 378 D CB 1.539 42.332 40.800 -0.013 0.000 1.349 378 D HN -0.042 nan 8.370 nan 0.000 0.508 379 E N 0.688 120.894 120.200 0.009 0.000 2.166 379 E HA 0.305 4.655 4.350 0.001 0.000 0.279 379 E C -0.547 176.054 176.600 0.002 0.000 1.095 379 E CA -0.177 56.221 56.400 -0.005 0.000 0.888 379 E CB 0.473 30.144 29.700 -0.048 0.000 1.041 379 E HN 0.233 nan 8.360 nan 0.000 0.414 380 C N 3.945 123.275 119.300 0.050 0.000 2.470 380 C HA 0.518 4.978 4.460 0.001 0.000 0.341 380 C C -1.720 173.333 174.990 0.105 0.000 1.190 380 C CA -1.489 57.587 59.018 0.098 0.000 1.904 380 C CB 0.410 28.269 27.740 0.198 0.000 2.354 380 C HN 0.673 nan 8.230 nan 0.000 0.509 381 P HA 0.403 nan 4.420 nan 0.000 0.274 381 P C 0.505 177.890 177.300 0.142 0.000 1.237 381 P CA -0.418 62.799 63.100 0.195 0.000 0.793 381 P CB 0.590 32.435 31.700 0.243 0.000 0.977 382 R N 0.526 121.123 120.500 0.160 0.000 2.161 382 R HA 0.119 4.459 4.340 0.001 0.000 0.213 382 R C 1.411 177.818 176.300 0.179 0.000 1.055 382 R CA 0.799 56.974 56.100 0.125 0.000 0.996 382 R CB -0.545 29.732 30.300 -0.040 0.000 0.901 382 R HN 0.866 nan 8.270 nan 0.000 0.456 383 G N 1.209 110.161 108.800 0.252 0.000 2.591 383 G HA2 -0.376 3.584 3.960 0.001 0.000 0.298 383 G HA3 -0.376 3.584 3.960 0.001 0.000 0.298 383 G C 0.546 175.561 174.900 0.191 0.000 1.195 383 G CA 0.332 45.573 45.100 0.236 0.000 0.989 383 G HN 0.162 nan 8.290 nan 0.000 0.551 384 L N 0.159 121.312 121.223 -0.117 0.000 2.201 384 L HA 0.193 4.533 4.340 0.001 0.000 0.212 384 L C 1.689 178.596 176.870 0.062 0.000 1.105 384 L CA 1.398 56.170 54.840 -0.113 0.000 0.775 384 L CB -0.604 41.238 42.059 -0.361 0.000 0.913 384 L HN 0.501 nan 8.230 nan 0.000 0.440 385 Y N 1.225 121.458 120.300 -0.111 0.000 2.650 385 Y HA 0.127 4.677 4.550 0.001 0.000 0.331 385 Y C 1.365 177.303 175.900 0.064 0.000 1.165 385 Y CA -0.211 57.912 58.100 0.038 0.000 1.473 385 Y CB 0.199 38.656 38.460 -0.005 0.000 1.224 385 Y HN 0.355 nan 8.280 nan 0.000 0.533 386 S N 1.407 116.726 115.700 -0.635 0.000 3.261 386 S HA -0.198 4.273 4.470 0.001 0.000 0.287 386 S C 0.412 174.981 174.600 -0.052 0.000 1.281 386 S CA 0.662 58.587 58.200 -0.458 0.000 1.053 386 S CB -2.284 60.549 63.200 -0.612 0.000 1.251 386 S HN 1.408 nan 8.310 nan 0.000 0.659 387 G N 0.639 109.493 108.800 0.090 0.000 2.736 387 G HA2 0.901 4.862 3.960 0.001 0.000 0.229 387 G HA3 0.901 4.862 3.960 0.001 0.000 0.229 387 G C -0.192 174.870 174.900 0.270 0.000 1.380 387 G CA -0.366 44.924 45.100 0.317 0.000 1.040 387 G HN 1.657 nan 8.290 nan 0.000 0.568 388 A N -1.925 121.108 122.820 0.354 0.000 2.539 388 A HA 0.672 4.993 4.320 0.001 0.000 0.296 388 A C -1.331 176.305 177.584 0.087 0.000 1.073 388 A CA -0.411 51.749 52.037 0.205 0.000 0.700 388 A CB 1.770 20.943 19.000 0.289 0.000 1.296 388 A HN 0.955 nan 8.150 nan 0.000 0.405 389 V N 1.504 121.402 119.914 -0.027 0.000 2.427 389 V HA 0.619 4.740 4.120 0.001 0.000 0.286 389 V C 0.041 176.059 176.094 -0.127 0.000 1.034 389 V CA -0.196 62.029 62.300 -0.124 0.000 0.893 389 V CB 1.292 32.906 31.823 -0.348 0.000 0.982 389 V HN 1.244 nan 8.190 nan 0.000 0.452 390 V N 3.050 122.827 119.914 -0.229 0.000 2.914 390 V HA 0.789 4.910 4.120 0.001 0.000 0.314 390 V C -0.691 175.116 176.094 -0.479 0.000 1.084 390 V CA -0.880 61.225 62.300 -0.324 0.000 0.963 390 V CB 2.087 33.748 31.823 -0.269 0.000 1.025 390 V HN 0.884 nan 8.190 nan 0.000 0.432 391 M N 3.666 122.965 119.600 -0.501 0.000 2.327 391 M HA 0.770 5.251 4.480 0.001 0.000 0.298 391 M C -2.309 173.709 176.300 -0.471 0.000 1.065 391 M CA -0.500 54.439 55.300 -0.601 0.000 0.916 391 M CB 1.800 34.098 32.600 -0.503 0.000 1.630 391 M HN 0.802 nan 8.290 nan 0.000 0.442 392 L N 3.153 124.041 121.223 -0.558 0.000 2.354 392 L HA 0.780 5.120 4.340 0.001 0.000 0.264 392 L C -0.575 176.057 176.870 -0.396 0.000 1.008 392 L CA -0.335 54.269 54.840 -0.393 0.000 0.819 392 L CB 2.586 44.440 42.059 -0.342 0.000 1.339 392 L HN 0.812 nan 8.230 nan 0.000 0.420 393 S N -0.177 115.359 115.700 -0.272 0.000 2.599 393 S HA 0.711 5.182 4.470 0.001 0.000 0.287 393 S C 0.567 175.063 174.600 -0.174 0.000 1.105 393 S CA -0.211 57.850 58.200 -0.232 0.000 0.899 393 S CB 1.741 64.828 63.200 -0.188 0.000 1.100 393 S HN 0.715 nan 8.310 nan 0.000 0.482 394 A N 1.026 123.755 122.820 -0.152 0.000 2.070 394 A HA -0.100 4.221 4.320 0.001 0.000 0.220 394 A C 1.649 179.176 177.584 -0.095 0.000 1.159 394 A CA 1.717 53.684 52.037 -0.117 0.000 0.656 394 A CB -0.961 17.978 19.000 -0.101 0.000 0.800 394 A HN 0.940 nan 8.150 nan 0.000 0.453 395 D N -1.862 118.482 120.400 -0.093 0.000 2.363 395 D HA 0.197 4.837 4.640 0.001 0.000 0.226 395 D C 1.162 177.419 176.300 -0.073 0.000 1.020 395 D CA 1.050 55.006 54.000 -0.073 0.000 0.892 395 D CB -0.564 40.196 40.800 -0.066 0.000 0.900 395 D HN 0.823 nan 8.370 nan 0.000 0.531 396 G N -0.724 108.023 108.800 -0.089 0.000 2.163 396 G HA2 -0.120 3.840 3.960 0.001 0.000 0.213 396 G HA3 -0.120 3.840 3.960 0.001 0.000 0.213 396 G C 0.574 175.420 174.900 -0.090 0.000 0.991 396 G CA -0.056 44.993 45.100 -0.086 0.000 0.653 396 G HN 0.752 nan 8.290 nan 0.000 0.518 397 G N -0.571 108.168 108.800 -0.101 0.000 2.539 397 G HA2 0.670 4.630 3.960 0.001 0.000 0.258 397 G HA3 0.670 4.630 3.960 0.001 0.000 0.258 397 G C -0.371 174.454 174.900 -0.126 0.000 1.202 397 G CA 0.037 45.078 45.100 -0.098 0.000 0.851 397 G HN 1.209 nan 8.290 nan 0.000 0.556 398 L N 0.484 121.644 121.223 -0.106 0.000 2.482 398 L HA 0.587 4.928 4.340 0.001 0.000 0.263 398 L C -2.065 174.756 176.870 -0.082 0.000 0.957 398 L CA -0.825 53.941 54.840 -0.124 0.000 0.836 398 L CB 2.662 44.652 42.059 -0.115 0.000 1.324 398 L HN 0.573 nan 8.230 nan 0.000 0.406 399 D N 3.919 124.264 120.400 -0.091 0.000 2.575 399 D HA 0.674 5.314 4.640 0.001 0.000 0.250 399 D C -1.110 175.185 176.300 -0.009 0.000 1.279 399 D CA 0.005 54.001 54.000 -0.008 0.000 0.925 399 D CB 2.088 42.926 40.800 0.063 0.000 1.261 399 D HN 0.699 nan 8.370 nan 0.000 0.567 400 A N 2.753 125.595 122.820 0.038 0.000 2.310 400 A HA 0.748 5.068 4.320 0.001 0.000 0.304 400 A C -0.412 177.250 177.584 0.129 0.000 1.231 400 A CA -0.599 51.473 52.037 0.059 0.000 0.799 400 A CB 1.136 20.166 19.000 0.051 0.000 1.162 400 A HN 0.620 nan 8.150 nan 0.000 0.486 401 A N 2.490 125.415 122.820 0.176 0.000 2.289 401 A HA 0.583 4.903 4.320 0.001 0.000 0.298 401 A C -0.141 177.528 177.584 0.143 0.000 1.208 401 A CA -0.468 51.676 52.037 0.178 0.000 0.845 401 A CB 0.198 19.354 19.000 0.259 0.000 1.125 401 A HN 1.358 nan 8.150 nan 0.000 0.517 402 L N 2.993 124.280 121.223 0.108 0.000 2.462 402 L HA 0.287 4.627 4.340 0.001 0.000 0.272 402 L C 0.331 177.260 176.870 0.098 0.000 1.166 402 L CA 1.017 55.900 54.840 0.073 0.000 0.880 402 L CB 0.490 42.562 42.059 0.021 0.000 1.142 402 L HN 0.640 nan 8.230 nan 0.000 0.473 403 T N 7.430 122.040 114.554 0.093 0.000 2.727 403 T HA 0.427 4.777 4.350 0.001 0.000 0.298 403 T C 0.988 175.758 174.700 0.118 0.000 0.942 403 T CA -0.198 62.006 62.100 0.173 0.000 0.997 403 T CB 0.634 69.608 68.868 0.177 0.000 0.917 403 T HN 0.612 nan 8.240 nan 0.000 0.487 404 L N 1.654 122.983 121.223 0.178 0.000 2.603 404 L HA 0.327 4.667 4.340 0.001 0.000 0.189 404 L C 0.893 177.936 176.870 0.290 0.000 1.082 404 L CA -0.356 54.605 54.840 0.202 0.000 0.921 404 L CB 0.184 42.309 42.059 0.110 0.000 1.694 404 L HN 0.237 nan 8.230 nan 0.000 0.491 405 R N 2.139 122.757 120.500 0.196 0.000 2.419 405 R HA 0.641 4.982 4.340 0.001 0.000 0.305 405 R C -0.599 175.735 176.300 0.056 0.000 1.242 405 R CA 0.022 56.209 56.100 0.146 0.000 1.105 405 R CB 0.230 30.636 30.300 0.177 0.000 1.116 405 R HN 0.238 nan 8.270 nan 0.000 0.523 406 A N 0.792 123.580 122.820 -0.052 0.000 2.599 406 A HA 0.831 5.152 4.320 0.001 0.000 0.290 406 A C -1.501 175.692 177.584 -0.651 0.000 1.101 406 A CA -0.530 51.313 52.037 -0.323 0.000 0.674 406 A CB 1.760 20.647 19.000 -0.189 0.000 1.277 406 A HN 0.510 nan 8.150 nan 0.000 0.419 407 A N -0.070 122.291 122.820 -0.765 0.000 2.365 407 A HA 0.867 5.188 4.320 0.001 0.000 0.318 407 A C -1.410 175.680 177.584 -0.823 0.000 1.091 407 A CA -0.387 51.198 52.037 -0.754 0.000 0.763 407 A CB 0.709 19.437 19.000 -0.453 0.000 1.248 407 A HN 1.095 nan 8.150 nan 0.000 0.442 408 Y N -0.337 119.723 120.300 -0.401 0.000 2.576 408 Y HA 0.713 5.263 4.550 0.001 0.000 0.346 408 Y C 0.026 175.698 175.900 -0.380 0.000 1.018 408 Y CA -0.728 57.052 58.100 -0.533 0.000 1.050 408 Y CB 2.127 39.842 38.460 -1.242 0.000 1.280 408 Y HN 0.675 nan 8.280 nan 0.000 0.474 409 Q N 1.870 121.627 119.800 -0.071 0.000 2.350 409 Q HA 0.669 5.010 4.340 0.001 0.000 0.255 409 Q C -2.429 173.614 176.000 0.071 0.000 0.951 409 Q CA -0.482 55.377 55.803 0.093 0.000 0.751 409 Q CB 1.846 30.668 28.738 0.140 0.000 1.296 409 Q HN 0.678 nan 8.270 nan 0.000 0.453 410 V N 3.576 123.673 119.914 0.304 0.000 2.588 410 V HA 0.733 4.854 4.120 0.001 0.000 0.304 410 V C 0.829 177.054 176.094 0.220 0.000 1.042 410 V CA 0.367 62.819 62.300 0.253 0.000 0.877 410 V CB 1.123 33.173 31.823 0.378 0.000 0.996 410 V HN 1.075 nan 8.190 nan 0.000 0.425 411 G N 4.610 113.486 108.800 0.127 0.000 2.583 411 G HA2 -0.169 3.791 3.960 0.001 0.000 0.292 411 G HA3 -0.169 3.791 3.960 0.001 0.000 0.292 411 G C 0.853 175.817 174.900 0.107 0.000 1.203 411 G CA 0.365 45.524 45.100 0.098 0.000 0.987 411 G HN 1.715 nan 8.290 nan 0.000 0.554 412 G N 0.090 108.948 108.800 0.098 0.000 3.523 412 G HA2 0.475 4.435 3.960 0.001 0.000 0.270 412 G HA3 0.475 4.435 3.960 0.001 0.000 0.270 412 G C 0.562 175.536 174.900 0.123 0.000 1.134 412 G CA 0.878 46.037 45.100 0.099 0.000 0.825 412 G HN 0.624 nan 8.290 nan 0.000 0.534 413 R N 0.467 121.076 120.500 0.183 0.000 2.494 413 R HA 0.532 4.872 4.340 0.001 0.000 0.305 413 R C -1.227 175.352 176.300 0.466 0.000 0.959 413 R CA -0.255 55.991 56.100 0.244 0.000 0.864 413 R CB 1.306 31.680 30.300 0.124 0.000 1.159 413 R HN 0.027 nan 8.270 nan 0.000 0.446 414 T N 5.116 119.902 114.554 0.387 0.000 2.812 414 T HA 0.528 4.878 4.350 0.001 0.000 0.282 414 T C -1.296 173.652 174.700 0.413 0.000 0.990 414 T CA -0.481 61.821 62.100 0.337 0.000 0.960 414 T CB 0.622 69.546 68.868 0.094 0.000 0.948 414 T HN 0.691 nan 8.240 nan 0.000 0.438 415 W N 2.778 124.112 121.300 0.057 0.000 2.959 415 W HA 0.779 5.439 4.660 0.001 0.000 0.358 415 W C -2.776 173.777 176.519 0.056 0.000 1.228 415 W CA -1.295 56.069 57.345 0.031 0.000 1.183 415 W CB 0.791 30.282 29.460 0.052 0.000 1.467 415 W HN 0.517 nan 8.180 nan 0.000 0.578 416 L N 2.074 123.390 121.223 0.155 0.000 2.333 416 L HA 0.735 5.075 4.340 0.001 0.000 0.263 416 L C -0.374 176.598 176.870 0.170 0.000 1.014 416 L CA -1.347 53.496 54.840 0.005 0.000 0.820 416 L CB 2.284 44.308 42.059 -0.059 0.000 1.352 416 L HN 0.650 nan 8.230 nan 0.000 0.421 417 R N 1.175 121.730 120.500 0.091 0.000 2.604 417 R HA 0.853 5.194 4.340 0.001 0.000 0.281 417 R C -1.845 174.335 176.300 -0.199 0.000 1.020 417 R CA -0.337 55.699 56.100 -0.106 0.000 0.899 417 R CB 2.209 32.346 30.300 -0.272 0.000 1.205 417 R HN 0.797 nan 8.270 nan 0.000 0.450 418 A N 1.953 124.616 122.820 -0.262 0.000 2.515 418 A HA 0.828 5.149 4.320 0.001 0.000 0.298 418 A C -1.064 176.418 177.584 -0.169 0.000 1.059 418 A CA -0.356 51.603 52.037 -0.128 0.000 0.698 418 A CB 1.995 20.910 19.000 -0.142 0.000 1.289 418 A HN 0.834 nan 8.150 nan 0.000 0.404 419 G N -0.820 107.997 108.800 0.029 0.000 3.022 419 G HA2 0.943 4.903 3.960 0.001 0.000 0.284 419 G HA3 0.943 4.903 3.960 0.001 0.000 0.284 419 G C -0.722 174.247 174.900 0.115 0.000 1.375 419 G CA -0.119 45.030 45.100 0.082 0.000 0.902 419 G HN 2.057 nan 8.290 nan 0.000 0.538 420 A N -1.533 121.421 122.820 0.224 0.000 2.574 420 A HA 0.781 5.101 4.320 0.001 0.000 0.297 420 A C -0.090 177.602 177.584 0.179 0.000 1.062 420 A CA 0.033 52.190 52.037 0.201 0.000 0.686 420 A CB 1.392 20.550 19.000 0.263 0.000 1.285 420 A HN 1.829 nan 8.150 nan 0.000 0.403 421 G N 1.314 110.192 108.800 0.131 0.000 2.358 421 G HA2 0.500 4.460 3.960 0.001 0.000 0.273 421 G HA3 0.500 4.460 3.960 0.001 0.000 0.273 421 G C -0.251 174.705 174.900 0.093 0.000 1.215 421 G CA -0.151 45.013 45.100 0.107 0.000 0.910 421 G HN 0.473 nan 8.290 nan 0.000 0.467 422 I N 4.028 124.647 120.570 0.081 0.000 2.315 422 I HA 0.394 4.564 4.170 0.001 0.000 0.291 422 I C 0.692 176.821 176.117 0.021 0.000 1.006 422 I CA -0.724 60.606 61.300 0.050 0.000 1.265 422 I CB 0.668 38.692 38.000 0.040 0.000 1.387 422 I HN 0.481 nan 8.210 nan 0.000 0.475 423 I N 1.502 122.058 120.570 -0.023 0.000 3.294 423 I HA 0.517 4.688 4.170 0.001 0.000 0.311 423 I C 1.192 177.250 176.117 -0.098 0.000 1.111 423 I CA -0.837 60.398 61.300 -0.109 0.000 0.976 423 I CB 1.461 39.375 38.000 -0.143 0.000 1.260 423 I HN 0.507 nan 8.210 nan 0.000 0.474 424 E N 0.677 120.794 120.200 -0.138 0.000 2.130 424 E HA -0.218 4.133 4.350 0.001 0.000 0.196 424 E C 1.393 177.960 176.600 -0.055 0.000 0.998 424 E CA 1.936 58.278 56.400 -0.096 0.000 0.806 424 E CB 0.109 29.755 29.700 -0.091 0.000 0.738 424 E HN 0.707 nan 8.360 nan 0.000 0.459 425 E N 0.153 120.329 120.200 -0.039 0.000 2.489 425 E HA 0.064 4.414 4.350 0.001 0.000 0.193 425 E C -0.183 176.413 176.600 -0.007 0.000 1.057 425 E CA -0.304 56.086 56.400 -0.016 0.000 0.866 425 E CB 0.531 30.229 29.700 -0.003 0.000 0.916 425 E HN 0.032 nan 8.360 nan 0.000 0.500 426 S N 1.762 117.455 115.700 -0.011 0.000 2.552 426 S HA 0.012 4.482 4.470 0.001 0.000 0.289 426 S C 0.067 174.669 174.600 0.004 0.000 1.304 426 S CA 0.368 58.571 58.200 0.004 0.000 1.063 426 S CB 0.474 63.676 63.200 0.003 0.000 0.848 426 S HN 0.153 nan 8.310 nan 0.000 0.499 427 E N 3.715 123.928 120.200 0.022 0.000 2.145 427 E HA 0.178 4.528 4.350 0.001 0.000 0.270 427 E C -1.575 175.049 176.600 0.041 0.000 0.906 427 E CA -2.208 54.206 56.400 0.023 0.000 0.761 427 E CB 1.262 30.981 29.700 0.031 0.000 1.116 427 E HN 0.344 nan 8.360 nan 0.000 0.408 428 P HA -0.267 nan 4.420 nan 0.000 0.216 428 P C 1.129 178.508 177.300 0.132 0.000 1.154 428 P CA 1.374 64.493 63.100 0.031 0.000 0.865 428 P CB 0.558 32.246 31.700 -0.020 0.000 0.789 429 E N -0.220 120.040 120.200 0.099 0.000 2.077 429 E HA -0.180 4.170 4.350 0.001 0.000 0.193 429 E C 2.343 179.056 176.600 0.187 0.000 0.989 429 E CA 1.049 57.526 56.400 0.129 0.000 0.800 429 E CB -0.688 29.051 29.700 0.065 0.000 0.746 429 E HN -0.135 nan 8.360 nan 0.000 0.452 430 R N 0.506 121.089 120.500 0.139 0.000 2.092 430 R HA -0.060 4.280 4.340 0.001 0.000 0.231 430 R C 1.763 178.164 176.300 0.169 0.000 1.119 430 R CA 1.212 57.389 56.100 0.129 0.000 0.970 430 R CB -0.316 30.036 30.300 0.087 0.000 0.864 430 R HN 0.187 nan 8.270 nan 0.000 0.440 431 E N -0.390 119.938 120.200 0.213 0.000 2.106 431 E HA -0.163 4.187 4.350 0.001 0.000 0.192 431 E C 1.748 178.595 176.600 0.411 0.000 0.984 431 E CA 0.728 57.303 56.400 0.292 0.000 0.806 431 E CB -0.475 29.405 29.700 0.300 0.000 0.750 431 E HN 0.268 nan 8.360 nan 0.000 0.458 432 F N 2.107 122.257 119.950 0.333 0.000 2.146 432 F HA -0.182 4.345 4.527 0.001 0.000 0.298 432 F C 2.408 178.241 175.800 0.056 0.000 1.096 432 F CA 1.734 59.872 58.000 0.231 0.000 1.275 432 F CB 0.051 39.189 39.000 0.230 0.000 1.008 432 F HN -0.051 nan 8.300 nan 0.000 0.480 433 E N 0.567 120.900 120.200 0.221 0.000 2.153 433 E HA -0.223 4.127 4.350 0.001 0.000 0.194 433 E C 2.103 178.688 176.600 -0.024 0.000 0.988 433 E CA 1.492 57.946 56.400 0.089 0.000 0.811 433 E CB -0.462 29.310 29.700 0.120 0.000 0.746 433 E HN 0.392 nan 8.360 nan 0.000 0.466 434 E N -0.332 119.872 120.200 0.007 0.000 2.058 434 E HA -0.170 4.180 4.350 0.001 0.000 0.194 434 E C 2.128 178.669 176.600 -0.098 0.000 0.997 434 E CA 2.052 58.446 56.400 -0.010 0.000 0.801 434 E CB -0.463 29.268 29.700 0.052 0.000 0.746 434 E HN 0.584 nan 8.360 nan 0.000 0.450 435 T N -1.497 112.923 114.554 -0.223 0.000 2.833 435 T HA -0.135 4.216 4.350 0.001 0.000 0.269 435 T C 2.393 176.891 174.700 -0.336 0.000 1.054 435 T CA 1.350 63.239 62.100 -0.351 0.000 1.135 435 T CB -0.788 67.668 68.868 -0.686 0.000 0.869 435 T HN 0.117 nan 8.240 nan 0.000 0.466 436 C N 1.748 120.830 119.300 -0.364 0.000 2.446 436 C HA 0.021 4.482 4.460 0.001 0.000 0.277 436 C C 2.900 177.802 174.990 -0.146 0.000 1.275 436 C CA 0.674 59.534 59.018 -0.263 0.000 1.727 436 C CB -1.039 26.580 27.740 -0.202 0.000 2.010 436 C HN 0.656 nan 8.230 nan 0.000 0.486 437 E N 0.891 121.027 120.200 -0.106 0.000 2.077 437 E HA -0.198 4.152 4.350 0.001 0.000 0.193 437 E C 2.131 178.700 176.600 -0.052 0.000 0.989 437 E CA 1.053 57.416 56.400 -0.062 0.000 0.800 437 E CB -0.157 29.521 29.700 -0.035 0.000 0.746 437 E HN 0.636 nan 8.360 nan 0.000 0.452 438 K N 0.678 121.044 120.400 -0.057 0.000 2.057 438 K HA -0.077 4.244 4.320 0.001 0.000 0.206 438 K C 2.207 178.789 176.600 -0.030 0.000 1.050 438 K CA 0.836 57.109 56.287 -0.023 0.000 0.935 438 K CB -0.103 32.389 32.500 -0.012 0.000 0.715 438 K HN 0.070 nan 8.250 nan 0.000 0.439 439 L N 0.871 122.046 121.223 -0.080 0.000 2.131 439 L HA -0.154 4.186 4.340 0.001 0.000 0.210 439 L C 2.088 178.912 176.870 -0.078 0.000 1.092 439 L CA 0.877 55.668 54.840 -0.083 0.000 0.759 439 L CB -0.276 41.704 42.059 -0.131 0.000 0.903 439 L HN 0.073 nan 8.230 nan 0.000 0.435 440 S N -0.940 114.709 115.700 -0.084 0.000 2.507 440 S HA -0.120 4.350 4.470 0.001 0.000 0.235 440 S C 1.916 176.465 174.600 -0.085 0.000 0.988 440 S CA 1.423 59.561 58.200 -0.104 0.000 0.944 440 S CB -0.382 62.762 63.200 -0.093 0.000 0.762 440 S HN 0.642 nan 8.310 nan 0.000 0.526 441 T N -1.260 113.287 114.554 -0.011 0.000 3.113 441 T HA 0.200 4.551 4.350 0.001 0.000 0.256 441 T C 1.153 175.945 174.700 0.153 0.000 1.131 441 T CA 0.317 62.461 62.100 0.072 0.000 1.074 441 T CB 0.039 68.954 68.868 0.078 0.000 0.944 441 T HN 0.265 nan 8.240 nan 0.000 0.516 442 L N 0.844 122.100 121.223 0.054 0.000 3.066 442 L HA 0.301 4.641 4.340 0.001 0.000 0.272 442 L C 2.226 179.053 176.870 -0.071 0.000 1.101 442 L CA 1.159 56.063 54.840 0.107 0.000 1.022 442 L CB -0.164 41.958 42.059 0.104 0.000 1.600 442 L HN 0.335 nan 8.230 nan 0.000 0.559 443 T N -2.437 112.025 114.554 -0.154 0.000 2.929 443 T HA 0.021 4.372 4.350 0.001 0.000 0.271 443 T C -0.934 173.600 174.700 -0.277 0.000 1.085 443 T CA 1.071 63.067 62.100 -0.175 0.000 1.125 443 T CB -1.230 67.555 68.868 -0.139 0.000 0.874 443 T HN 0.221 nan 8.240 nan 0.000 0.494 444 P HA 0.177 nan 4.420 nan 0.000 0.255 444 P C -0.375 176.499 177.300 -0.708 0.000 1.248 444 P CA 0.275 62.947 63.100 -0.712 0.000 0.807 444 P CB -0.148 30.958 31.700 -0.991 0.000 1.150 445 Y N -0.896 119.374 120.300 -0.050 0.000 2.716 445 Y HA 0.313 4.863 4.550 0.001 0.000 0.260 445 Y C 0.448 176.340 175.900 -0.013 0.000 1.141 445 Y CA -1.049 57.033 58.100 -0.030 0.000 1.168 445 Y CB -0.506 37.939 38.460 -0.025 0.000 1.189 445 Y HN -0.197 nan 8.280 nan 0.000 0.549 446 L N 1.547 122.811 121.223 0.068 0.000 2.313 446 L HA 0.384 4.725 4.340 0.001 0.000 0.282 446 L C -0.273 176.672 176.870 0.126 0.000 1.092 446 L CA -0.697 54.186 54.840 0.072 0.000 0.831 446 L CB 0.824 42.934 42.059 0.085 0.000 1.159 446 L HN -0.117 nan 8.230 nan 0.000 0.442 447 V N 3.398 123.367 119.914 0.091 0.000 2.347 447 V HA 0.450 4.570 4.120 0.001 0.000 0.280 447 V C 0.688 176.860 176.094 0.131 0.000 1.021 447 V CA -0.629 61.724 62.300 0.088 0.000 0.847 447 V CB 1.362 33.218 31.823 0.056 0.000 0.990 447 V HN 0.899 nan 8.190 nan 0.000 0.444 448 A N 6.444 129.344 122.820 0.132 0.000 2.366 448 A HA 0.832 5.153 4.320 0.001 0.000 0.249 448 A C 0.489 178.141 177.584 0.113 0.000 1.084 448 A CA 0.067 52.209 52.037 0.174 0.000 0.794 448 A CB 0.321 19.275 19.000 -0.076 0.000 1.034 448 A HN 0.914 nan 8.150 nan 0.000 0.491 449 R N 0.000 120.589 120.500 0.148 0.000 2.786 449 R HA 0.000 4.340 4.340 0.001 0.000 0.208 449 R CA 0.000 56.168 56.100 0.114 0.000 0.921 449 R CB 0.000 30.345 30.300 0.075 0.000 0.687 449 R HN 0.000 nan 8.270 nan 0.000 0.535