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 1wcd_1_J DATA FIRST_RESID 11 DATA SEQUENCE IVPFIRSLLM PTTGPASIPD DTLEKHTLRS ETSTYNLTVG DTGSGLIVFF DATA SEQUENCE PGFPGSIVGA HYTLQGNGNY KFDQMLLTAQ NLPASYNYCR LVSRSLTVRS DATA SEQUENCE STLPGGVYAL NGTINAVTFQ GSLSELTDVS YNGLMSATAN INDKIGNVLV DATA SEQUENCE GEGVTVLSLP TSYDLGYVRL GDPIPAIGLD PKMVATCDSS DRPRVYTITA DATA SEQUENCE ADDYQFSSQY QPGGVTITLF SANIDAITSL SVGGELVFRT SVHGLVLGAT DATA SEQUENCE IYLIGFDGTT VITRAVAANN GLTTGTDNLM PFNLVIPTNE ITQPITSIKL DATA SEQUENCE EIVTSKSGGQ AGDQMSWSAR GSLAVTIHGG NYPGALRPVT LVAYERVATG DATA SEQUENCE SVVTVAGVSN FELIPNPELA KNLVTEYGRF DPGAMNYTKL ILSERDRLGI DATA SEQUENCE KTVWPTREYT DFREYFMEVA D 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 11 I HA 0.000 nan 4.170 nan 0.000 0.288 11 I C 0.000 176.127 176.117 0.017 0.000 1.063 11 I CA 0.000 61.317 61.300 0.028 0.000 1.566 11 I CB 0.000 38.012 38.000 0.020 0.000 1.214 12 V N 6.866 126.790 119.914 0.018 0.000 2.803 12 V HA 0.218 4.338 4.120 0.000 0.000 0.244 12 V C -2.526 173.574 176.094 0.009 0.000 1.813 12 V CA -0.755 61.544 62.300 -0.001 0.000 0.835 12 V CB 1.939 33.755 31.823 -0.012 0.000 1.279 12 V HN 0.720 nan 8.190 nan 0.000 0.496 13 P HA 0.028 nan 4.420 nan 0.000 0.261 13 P C 0.750 178.073 177.300 0.037 0.000 1.165 13 P CA 0.311 63.420 63.100 0.014 0.000 0.759 13 P CB 0.231 31.913 31.700 -0.031 0.000 0.772 14 F N 4.826 124.754 119.950 -0.036 0.000 2.135 14 F HA -0.280 4.247 4.527 0.000 0.000 0.300 14 F C 1.663 177.452 175.800 -0.019 0.000 1.074 14 F CA 1.751 59.732 58.000 -0.031 0.000 1.262 14 F CB -0.238 38.730 39.000 -0.054 0.000 1.013 14 F HN 0.235 nan 8.300 nan 0.000 0.489 15 I N 0.202 120.684 120.570 -0.147 0.000 2.394 15 I HA -0.235 3.935 4.170 0.000 0.000 0.251 15 I C 2.553 178.526 176.117 -0.239 0.000 1.136 15 I CA 1.380 62.551 61.300 -0.213 0.000 1.425 15 I CB -1.327 36.668 38.000 -0.007 0.000 1.079 15 I HN 0.247 nan 8.210 nan 0.000 0.425 16 R N 0.438 120.828 120.500 -0.183 0.000 2.075 16 R HA -0.150 4.190 4.340 0.000 0.000 0.232 16 R C 2.578 178.787 176.300 -0.152 0.000 1.126 16 R CA 1.818 57.822 56.100 -0.159 0.000 0.963 16 R CB -0.094 30.138 30.300 -0.115 0.000 0.858 16 R HN 0.203 nan 8.270 nan 0.000 0.435 17 S N 0.305 115.896 115.700 -0.183 0.000 2.368 17 S HA -0.112 4.358 4.470 0.000 0.000 0.224 17 S C 1.900 176.359 174.600 -0.235 0.000 1.029 17 S CA 0.999 59.096 58.200 -0.171 0.000 0.988 17 S CB -0.259 62.859 63.200 -0.137 0.000 0.838 17 S HN 0.345 nan 8.310 nan 0.000 0.462 18 L N 1.607 122.568 121.223 -0.436 0.000 2.012 18 L HA 0.064 4.404 4.340 0.000 0.000 0.210 18 L C 2.012 178.792 176.870 -0.149 0.000 1.073 18 L CA 1.883 56.484 54.840 -0.399 0.000 0.748 18 L CB -0.554 41.115 42.059 -0.650 0.000 0.891 18 L HN 0.404 nan 8.230 nan 0.000 0.431 19 L N -1.479 119.692 121.223 -0.086 0.000 2.418 19 L HA 0.057 4.397 4.340 0.000 0.000 0.218 19 L C 0.535 177.497 176.870 0.153 0.000 1.125 19 L CA 0.302 55.197 54.840 0.093 0.000 0.835 19 L CB -0.096 42.079 42.059 0.194 0.000 0.953 19 L HN 0.270 nan 8.230 nan 0.000 0.454 20 M N -0.830 118.795 119.600 0.042 0.000 2.400 20 M HA 0.238 4.718 4.480 0.000 0.000 0.241 20 M C -2.117 174.180 176.300 -0.004 0.000 1.158 20 M CA -1.176 54.163 55.300 0.066 0.000 0.613 20 M CB 1.658 34.261 32.600 0.006 0.000 1.615 20 M HN -0.283 nan 8.290 nan 0.000 0.371 21 P HA -0.159 nan 4.420 nan 0.000 0.218 21 P C 1.360 178.637 177.300 -0.039 0.000 1.146 21 P CA 1.545 64.610 63.100 -0.057 0.000 0.813 21 P CB -0.107 31.543 31.700 -0.083 0.000 0.778 22 T N -5.678 108.867 114.554 -0.016 0.000 3.098 22 T HA -0.068 4.282 4.350 0.000 0.000 0.266 22 T C 1.578 176.272 174.700 -0.010 0.000 1.145 22 T CA 1.342 63.437 62.100 -0.008 0.000 1.092 22 T CB -1.375 67.498 68.868 0.008 0.000 0.908 22 T HN 0.048 nan 8.240 nan 0.000 0.526 23 T N 0.963 115.506 114.554 -0.018 0.000 2.857 23 T HA 0.447 4.797 4.350 0.000 0.000 0.266 23 T C 1.055 175.746 174.700 -0.015 0.000 1.048 23 T CA 1.048 63.135 62.100 -0.022 0.000 1.139 23 T CB -0.533 68.313 68.868 -0.037 0.000 0.874 23 T HN 0.928 nan 8.240 nan 0.000 0.455 24 G N 1.291 110.081 108.800 -0.017 0.000 2.353 24 G HA2 0.207 4.167 3.960 0.000 0.000 0.424 24 G HA3 0.207 4.167 3.960 0.000 0.000 0.424 24 G C -3.329 171.569 174.900 -0.003 0.000 1.320 24 G CA -1.007 44.092 45.100 -0.003 0.000 0.995 24 G HN 0.037 nan 8.290 nan 0.000 0.580 25 P HA 0.695 nan 4.420 nan 0.000 0.280 25 P C -0.435 176.909 177.300 0.072 0.000 1.272 25 P CA 0.249 63.373 63.100 0.041 0.000 0.819 25 P CB 2.055 33.794 31.700 0.064 0.000 1.122 26 A N 0.264 123.156 122.820 0.121 0.000 2.605 26 A HA 0.530 4.850 4.320 0.000 0.000 0.294 26 A C -0.490 177.226 177.584 0.220 0.000 1.062 26 A CA -0.520 51.614 52.037 0.162 0.000 0.682 26 A CB 0.545 19.645 19.000 0.167 0.000 1.278 26 A HN 0.382 nan 8.150 nan 0.000 0.410 27 S N 0.679 116.503 115.700 0.207 0.000 2.572 27 S HA 0.413 4.883 4.470 0.000 0.000 0.279 27 S C 0.304 174.917 174.600 0.021 0.000 1.341 27 S CA -0.144 58.163 58.200 0.178 0.000 1.043 27 S CB 0.147 63.498 63.200 0.252 0.000 0.887 27 S HN 0.467 nan 8.310 nan 0.000 0.516 28 I N 4.418 124.898 120.570 -0.149 0.000 2.471 28 I HA 0.171 4.341 4.170 0.000 0.000 0.286 28 I C -1.539 174.278 176.117 -0.501 0.000 1.079 28 I CA -1.809 59.133 61.300 -0.597 0.000 1.398 28 I CB 0.651 38.377 38.000 -0.456 0.000 1.403 28 I HN 0.424 nan 8.210 nan 0.000 0.530 29 P HA 0.068 nan 4.420 nan 0.000 0.228 29 P C -1.083 176.043 177.300 -0.289 0.000 1.748 29 P CA -0.175 62.714 63.100 -0.353 0.000 0.909 29 P CB -0.525 30.987 31.700 -0.312 0.000 1.882 30 D N -1.418 118.834 120.400 -0.248 0.000 2.595 30 D HA 0.136 4.776 4.640 0.000 0.000 0.268 30 D C 0.537 176.816 176.300 -0.035 0.000 1.181 30 D CA -0.648 53.269 54.000 -0.138 0.000 1.085 30 D CB 0.142 40.872 40.800 -0.115 0.000 1.186 30 D HN -0.196 nan 8.370 nan 0.000 0.621 31 D N -1.180 119.219 120.400 -0.002 0.000 2.340 31 D HA -0.002 4.638 4.640 0.000 0.000 0.220 31 D C 0.018 176.343 176.300 0.042 0.000 1.039 31 D CA 0.534 54.546 54.000 0.019 0.000 0.866 31 D CB -0.032 40.778 40.800 0.016 0.000 0.913 31 D HN 0.285 nan 8.370 nan 0.000 0.523 32 T N 2.181 116.770 114.554 0.059 0.000 3.781 32 T HA 0.169 4.519 4.350 0.000 0.000 0.286 32 T C 0.782 175.567 174.700 0.141 0.000 1.277 32 T CA -0.109 62.053 62.100 0.103 0.000 1.136 32 T CB -0.252 68.697 68.868 0.135 0.000 1.202 32 T HN 0.030 nan 8.240 nan 0.000 0.884 33 L N 4.046 125.352 121.223 0.138 0.000 2.454 33 L HA 0.293 4.633 4.340 0.000 0.000 0.284 33 L C 0.718 177.797 176.870 0.348 0.000 1.139 33 L CA 0.186 55.171 54.840 0.242 0.000 0.911 33 L CB -0.017 42.114 42.059 0.120 0.000 1.262 33 L HN 0.440 nan 8.230 nan 0.000 0.453 34 E N 3.398 123.770 120.200 0.287 0.000 2.293 34 E HA 0.328 4.678 4.350 0.000 0.000 0.270 34 E C -0.969 175.544 176.600 -0.145 0.000 0.879 34 E CA -1.045 55.359 56.400 0.008 0.000 0.756 34 E CB 2.589 32.128 29.700 -0.269 0.000 1.208 34 E HN 0.369 nan 8.360 nan 0.000 0.428 35 K N 3.581 123.642 120.400 -0.566 0.000 2.416 35 K HA 0.105 4.425 4.320 0.000 0.000 0.283 35 K C 0.191 176.693 176.600 -0.162 0.000 1.037 35 K CA 0.248 56.196 56.287 -0.566 0.000 0.995 35 K CB 0.227 32.383 32.500 -0.574 0.000 0.938 35 K HN 0.558 nan 8.250 nan 0.000 0.475 36 H N -0.332 118.656 119.070 -0.137 0.000 2.984 36 H HA 0.478 5.034 4.556 0.000 0.000 0.277 36 H C -1.169 174.186 175.328 0.045 0.000 1.502 36 H CA -0.797 55.250 56.048 -0.002 0.000 1.195 36 H CB 1.827 31.672 29.762 0.138 0.000 1.866 36 H HN 0.498 nan 8.280 nan 0.000 0.594 37 T N 0.282 114.918 114.554 0.137 0.000 2.896 37 T HA 0.585 4.935 4.350 0.000 0.000 0.297 37 T C -1.173 173.655 174.700 0.213 0.000 1.108 37 T CA -0.734 61.411 62.100 0.075 0.000 1.004 37 T CB 1.266 70.207 68.868 0.122 0.000 1.159 37 T HN 0.435 nan 8.240 nan 0.000 0.499 38 L N 3.467 124.780 121.223 0.149 0.000 2.334 38 L HA 0.780 5.120 4.340 0.000 0.000 0.276 38 L C 0.149 177.088 176.870 0.116 0.000 1.014 38 L CA -1.071 53.870 54.840 0.167 0.000 0.815 38 L CB 1.564 43.717 42.059 0.157 0.000 1.268 38 L HN 0.474 nan 8.230 nan 0.000 0.428 39 R N 1.185 121.761 120.500 0.128 0.000 2.707 39 R HA 0.546 4.886 4.340 0.000 0.000 0.272 39 R C -1.512 174.887 176.300 0.165 0.000 1.011 39 R CA -0.820 55.357 56.100 0.128 0.000 0.893 39 R CB 2.417 32.762 30.300 0.075 0.000 1.233 39 R HN 0.509 nan 8.270 nan 0.000 0.464 40 S N 1.366 117.147 115.700 0.135 0.000 2.473 40 S HA 0.453 4.923 4.470 0.000 0.000 0.307 40 S C -0.840 173.854 174.600 0.156 0.000 1.094 40 S CA -0.719 57.547 58.200 0.110 0.000 1.070 40 S CB 1.803 65.039 63.200 0.060 0.000 1.019 40 S HN 0.254 nan 8.310 nan 0.000 0.480 41 E N 2.394 122.712 120.200 0.198 0.000 2.224 41 E HA 0.374 4.724 4.350 0.000 0.000 0.265 41 E C -0.346 176.346 176.600 0.153 0.000 0.878 41 E CA -0.484 56.045 56.400 0.215 0.000 0.759 41 E CB 2.008 31.920 29.700 0.354 0.000 1.164 41 E HN 0.702 nan 8.360 nan 0.000 0.414 42 T N -0.706 113.915 114.554 0.112 0.000 2.874 42 T HA 0.591 4.941 4.350 0.000 0.000 0.281 42 T C 0.237 174.999 174.700 0.104 0.000 0.994 42 T CA -0.718 61.431 62.100 0.082 0.000 1.015 42 T CB 0.946 69.843 68.868 0.047 0.000 1.028 42 T HN 0.135 nan 8.240 nan 0.000 0.523 43 S N 1.200 116.961 115.700 0.102 0.000 2.775 43 S HA 0.567 5.037 4.470 0.000 0.000 0.277 43 S C -0.463 174.205 174.600 0.113 0.000 1.156 43 S CA -0.951 57.349 58.200 0.166 0.000 1.081 43 S CB 1.183 64.548 63.200 0.275 0.000 1.054 43 S HN 1.083 nan 8.310 nan 0.000 0.482 44 T N 1.171 115.674 114.554 -0.085 0.000 2.812 44 T HA 0.797 5.147 4.350 0.000 0.000 0.282 44 T C -1.178 173.286 174.700 -0.393 0.000 0.990 44 T CA -0.527 61.503 62.100 -0.117 0.000 0.960 44 T CB 0.701 69.502 68.868 -0.112 0.000 0.948 44 T HN 0.393 nan 8.240 nan 0.000 0.438 45 Y N 1.194 121.503 120.300 0.015 0.000 2.534 45 Y HA 0.530 5.080 4.550 0.000 0.000 0.345 45 Y C -0.213 175.672 175.900 -0.025 0.000 1.031 45 Y CA -1.283 56.816 58.100 -0.002 0.000 1.022 45 Y CB 2.428 40.887 38.460 -0.002 0.000 1.292 45 Y HN 0.592 nan 8.280 nan 0.000 0.459 46 N N 3.550 122.320 118.700 0.116 0.000 2.851 46 N HA 0.352 5.092 4.740 0.000 0.000 0.248 46 N C -1.264 174.265 175.510 0.032 0.000 1.221 46 N CA -0.238 52.837 53.050 0.041 0.000 0.847 46 N CB 0.870 39.365 38.487 0.013 0.000 1.150 46 N HN 0.544 nan 8.380 nan 0.000 0.507 47 L N 0.689 121.902 121.223 -0.017 0.000 2.439 47 L HA 0.330 4.670 4.340 0.000 0.000 0.269 47 L C 0.741 177.595 176.870 -0.028 0.000 1.179 47 L CA 0.029 54.837 54.840 -0.054 0.000 0.828 47 L CB 0.353 42.222 42.059 -0.317 0.000 1.106 47 L HN 0.132 nan 8.230 nan 0.000 0.467 48 T N 1.309 115.897 114.554 0.056 0.000 2.794 48 T HA 0.358 4.708 4.350 0.000 0.000 0.280 48 T C -0.009 174.765 174.700 0.123 0.000 0.987 48 T CA -0.551 61.583 62.100 0.058 0.000 0.993 48 T CB 1.842 70.741 68.868 0.052 0.000 0.939 48 T HN 0.206 nan 8.240 nan 0.000 0.449 49 V N 3.374 123.341 119.914 0.089 0.000 2.572 49 V HA 0.387 4.507 4.120 0.000 0.000 0.291 49 V C 1.332 177.511 176.094 0.142 0.000 1.039 49 V CA -0.055 62.344 62.300 0.164 0.000 1.055 49 V CB 0.771 32.666 31.823 0.120 0.000 0.969 49 V HN 1.062 nan 8.190 nan 0.000 0.482 50 G N 2.932 111.833 108.800 0.169 0.000 2.570 50 G HA2 0.102 4.062 3.960 0.000 0.000 0.276 50 G HA3 0.102 4.062 3.960 0.000 0.000 0.276 50 G C 0.915 175.853 174.900 0.065 0.000 1.346 50 G CA 0.363 45.519 45.100 0.095 0.000 1.034 50 G HN 0.836 nan 8.290 nan 0.000 0.512 51 D N -1.605 118.816 120.400 0.035 0.000 2.218 51 D HA -0.183 4.457 4.640 0.000 0.000 0.204 51 D C 2.009 178.317 176.300 0.014 0.000 0.976 51 D CA 1.904 55.916 54.000 0.020 0.000 0.853 51 D CB -0.755 40.049 40.800 0.007 0.000 0.939 51 D HN 0.413 nan 8.370 nan 0.000 0.481 52 T N -3.895 110.664 114.554 0.009 0.000 3.067 52 T HA 0.326 4.676 4.350 0.000 0.000 0.257 52 T C 1.896 176.602 174.700 0.009 0.000 1.105 52 T CA 0.749 62.843 62.100 -0.010 0.000 1.104 52 T CB -0.087 68.753 68.868 -0.047 0.000 0.925 52 T HN 0.389 nan 8.240 nan 0.000 0.498 53 G N 0.563 109.399 108.800 0.059 0.000 2.162 53 G HA2 -0.241 3.719 3.960 0.000 0.000 0.260 53 G HA3 -0.241 3.719 3.960 0.000 0.000 0.260 53 G C 0.149 175.135 174.900 0.144 0.000 0.976 53 G CA 0.353 45.517 45.100 0.108 0.000 0.655 53 G HN 0.919 nan 8.290 nan 0.000 0.533 54 S N -0.859 114.863 115.700 0.037 0.000 2.566 54 S HA 0.905 5.375 4.470 0.000 0.000 0.298 54 S C 0.230 174.632 174.600 -0.330 0.000 1.083 54 S CA 0.768 58.874 58.200 -0.156 0.000 0.978 54 S CB 1.844 64.949 63.200 -0.158 0.000 1.073 54 S HN 1.796 nan 8.310 nan 0.000 0.491 55 G N 1.075 109.309 108.800 -0.943 0.000 2.550 55 G HA2 0.593 4.553 3.960 0.000 0.000 0.293 55 G HA3 0.593 4.553 3.960 0.000 0.000 0.293 55 G C -2.376 172.251 174.900 -0.455 0.000 1.402 55 G CA -0.572 44.161 45.100 -0.612 0.000 0.784 55 G HN 0.862 nan 8.290 nan 0.000 0.482 56 L N -0.130 121.138 121.223 0.076 0.000 2.464 56 L HA 0.782 5.122 4.340 0.000 0.000 0.266 56 L C -1.188 175.797 176.870 0.192 0.000 0.965 56 L CA -0.669 54.225 54.840 0.091 0.000 0.833 56 L CB 1.827 43.847 42.059 -0.065 0.000 1.296 56 L HN 0.503 nan 8.230 nan 0.000 0.405 57 I N 5.396 125.996 120.570 0.049 0.000 2.378 57 I HA 0.470 4.640 4.170 0.000 0.000 0.291 57 I C -0.799 175.047 176.117 -0.451 0.000 0.992 57 I CA -0.974 60.212 61.300 -0.190 0.000 1.154 57 I CB 1.920 39.715 38.000 -0.342 0.000 1.315 57 I HN 0.246 nan 8.210 nan 0.000 0.448 58 V N 7.045 126.650 119.914 -0.514 0.000 2.370 58 V HA 0.420 4.540 4.120 0.000 0.000 0.283 58 V C -0.390 175.192 176.094 -0.853 0.000 1.023 58 V CA -0.391 61.550 62.300 -0.598 0.000 0.857 58 V CB 1.178 32.695 31.823 -0.509 0.000 0.985 58 V HN 0.408 nan 8.190 nan 0.000 0.443 59 F N 3.905 123.551 119.950 -0.506 0.000 2.492 59 F HA 0.613 5.140 4.527 0.000 0.000 0.327 59 F C -0.159 175.250 175.800 -0.651 0.000 1.079 59 F CA -0.653 57.059 58.000 -0.480 0.000 0.967 59 F CB 1.905 40.792 39.000 -0.189 0.000 1.169 59 F HN 0.353 nan 8.300 nan 0.000 0.472 60 F N 2.933 123.053 119.950 0.284 0.000 2.371 60 F HA 0.334 4.861 4.527 0.000 0.000 0.343 60 F C -1.913 174.034 175.800 0.246 0.000 1.150 60 F CA -1.859 56.280 58.000 0.232 0.000 1.220 60 F CB 0.323 39.456 39.000 0.222 0.000 1.475 60 F HN 0.265 nan 8.300 nan 0.000 0.521 61 P HA -0.224 nan 4.420 nan 0.000 0.219 61 P C 1.585 178.983 177.300 0.164 0.000 1.158 61 P CA 1.774 64.956 63.100 0.137 0.000 0.895 61 P CB 0.238 31.982 31.700 0.074 0.000 0.792 62 G N -2.750 106.171 108.800 0.201 0.000 3.434 62 G HA2 0.052 4.012 3.960 0.000 0.000 0.258 62 G HA3 0.052 4.012 3.960 0.000 0.000 0.258 62 G C -0.271 174.770 174.900 0.235 0.000 1.128 62 G CA -0.405 44.796 45.100 0.169 0.000 0.792 62 G HN 0.128 nan 8.290 nan 0.000 0.539 63 F N 2.296 122.384 119.950 0.230 0.000 2.590 63 F HA 0.274 4.801 4.527 0.000 0.000 0.389 63 F C -1.705 174.239 175.800 0.239 0.000 1.049 63 F CA -2.469 55.664 58.000 0.222 0.000 1.199 63 F CB 1.217 40.358 39.000 0.236 0.000 1.058 63 F HN -0.049 nan 8.300 nan 0.000 0.556 64 P HA 0.263 nan 4.420 nan 0.000 0.225 64 P C 0.017 177.114 177.300 -0.339 0.000 1.768 64 P CA 0.343 63.279 63.100 -0.273 0.000 0.943 64 P CB -0.093 31.390 31.700 -0.361 0.000 1.936 65 G N -1.021 107.786 108.800 0.011 0.000 2.364 65 G HA2 0.088 4.048 3.960 0.000 0.000 0.286 65 G HA3 0.088 4.048 3.960 0.000 0.000 0.286 65 G C 0.248 175.360 174.900 0.354 0.000 1.241 65 G CA -0.332 44.826 45.100 0.096 0.000 0.887 65 G HN -0.196 nan 8.290 nan 0.000 0.484 66 S N -0.314 115.546 115.700 0.266 0.000 2.607 66 S HA 0.220 4.690 4.470 0.000 0.000 0.224 66 S C 0.950 175.679 174.600 0.214 0.000 0.969 66 S CA 0.163 58.495 58.200 0.219 0.000 0.927 66 S CB -0.385 62.888 63.200 0.121 0.000 0.772 66 S HN 0.316 nan 8.310 nan 0.000 0.533 67 I N 1.483 122.128 120.570 0.125 0.000 2.312 67 I HA 0.144 4.314 4.170 0.000 0.000 0.291 67 I C 0.836 176.993 176.117 0.067 0.000 1.031 67 I CA -0.229 60.959 61.300 -0.187 0.000 1.293 67 I CB 1.407 38.829 38.000 -0.963 0.000 1.403 67 I HN -0.044 nan 8.210 nan 0.000 0.484 68 V N 5.456 125.499 119.914 0.215 0.000 2.795 68 V HA 0.387 4.507 4.120 0.000 0.000 0.243 68 V C 0.978 177.325 176.094 0.421 0.000 1.069 68 V CA 1.005 63.511 62.300 0.343 0.000 1.089 68 V CB 0.282 32.294 31.823 0.314 0.000 0.756 68 V HN 0.970 nan 8.190 nan 0.000 0.471 69 G N -1.174 107.793 108.800 0.277 0.000 2.341 69 G HA2 0.669 4.629 3.960 0.000 0.000 0.299 69 G HA3 0.669 4.629 3.960 0.000 0.000 0.299 69 G C -1.882 173.031 174.900 0.022 0.000 1.274 69 G CA 0.140 45.273 45.100 0.055 0.000 0.853 69 G HN 0.670 nan 8.290 nan 0.000 0.493 70 A N -0.657 122.094 122.820 -0.115 0.000 2.549 70 A HA 0.786 5.106 4.320 0.000 0.000 0.297 70 A C -1.265 176.245 177.584 -0.123 0.000 1.061 70 A CA -0.439 51.581 52.037 -0.028 0.000 0.690 70 A CB 1.428 20.545 19.000 0.195 0.000 1.287 70 A HN 1.180 nan 8.150 nan 0.000 0.402 71 H N 1.082 119.944 119.070 -0.347 0.000 2.459 71 H HA 0.654 5.210 4.556 0.000 0.000 0.332 71 H C -1.677 173.414 175.328 -0.396 0.000 1.094 71 H CA -0.277 55.598 56.048 -0.287 0.000 1.224 71 H CB 0.822 30.436 29.762 -0.247 0.000 1.449 71 H HN 0.618 nan 8.280 nan 0.000 0.484 72 Y N 1.723 121.899 120.300 -0.207 0.000 2.462 72 Y HA 0.215 4.765 4.550 0.000 0.000 0.346 72 Y C 0.128 175.916 175.900 -0.187 0.000 0.976 72 Y CA -0.754 57.257 58.100 -0.148 0.000 1.044 72 Y CB 2.369 40.872 38.460 0.071 0.000 1.230 72 Y HN 0.593 nan 8.280 nan 0.000 0.455 73 T N 0.663 115.250 114.554 0.056 0.000 2.855 73 T HA 0.601 4.951 4.350 0.000 0.000 0.281 73 T C -0.892 173.892 174.700 0.139 0.000 1.007 73 T CA -0.798 61.341 62.100 0.064 0.000 1.009 73 T CB 1.582 70.434 68.868 -0.026 0.000 0.983 73 T HN 0.442 nan 8.240 nan 0.000 0.455 74 L N 1.961 123.180 121.223 -0.007 0.000 2.439 74 L HA 0.500 4.840 4.340 0.000 0.000 0.261 74 L C -0.016 176.751 176.870 -0.173 0.000 1.153 74 L CA 0.272 54.938 54.840 -0.289 0.000 0.808 74 L CB 0.797 42.637 42.059 -0.365 0.000 1.126 74 L HN 0.853 nan 8.230 nan 0.000 0.460 75 Q N 1.377 121.050 119.800 -0.210 0.000 2.587 75 Q HA 0.393 4.733 4.340 0.000 0.000 0.293 75 Q C 0.792 176.723 176.000 -0.116 0.000 1.083 75 Q CA -0.336 55.395 55.803 -0.120 0.000 0.792 75 Q CB 1.152 29.840 28.738 -0.085 0.000 1.484 75 Q HN 0.797 nan 8.270 nan 0.000 0.446 76 G N 1.453 110.207 108.800 -0.076 0.000 2.491 76 G HA2 -0.301 3.659 3.960 0.000 0.000 0.218 76 G HA3 -0.301 3.659 3.960 0.000 0.000 0.218 76 G C 0.916 175.771 174.900 -0.075 0.000 1.180 76 G CA 1.274 46.335 45.100 -0.066 0.000 0.774 76 G HN 0.773 nan 8.290 nan 0.000 0.562 77 N N 1.318 119.974 118.700 -0.073 0.000 2.635 77 N HA 0.043 4.783 4.740 0.000 0.000 0.191 77 N C 1.558 177.008 175.510 -0.100 0.000 1.155 77 N CA 1.264 54.271 53.050 -0.073 0.000 0.927 77 N CB -0.567 37.883 38.487 -0.060 0.000 0.976 77 N HN 0.676 nan 8.380 nan 0.000 0.448 78 G N -0.180 108.539 108.800 -0.134 0.000 2.153 78 G HA2 -0.274 3.686 3.960 0.000 0.000 0.252 78 G HA3 -0.274 3.686 3.960 0.000 0.000 0.252 78 G C -0.275 174.473 174.900 -0.253 0.000 0.994 78 G CA 0.006 44.995 45.100 -0.185 0.000 0.698 78 G HN 0.482 nan 8.290 nan 0.000 0.521 79 N N -0.787 117.778 118.700 -0.224 0.000 2.443 79 N HA 0.621 5.361 4.740 0.000 0.000 0.293 79 N C -0.471 174.888 175.510 -0.252 0.000 1.159 79 N CA -0.398 52.529 53.050 -0.206 0.000 0.904 79 N CB 0.906 39.337 38.487 -0.093 0.000 1.214 79 N HN 0.152 nan 8.380 nan 0.000 0.513 80 Y N 0.253 120.525 120.300 -0.047 0.000 2.376 80 Y HA 0.299 4.849 4.550 0.000 0.000 0.325 80 Y C 0.750 176.723 175.900 0.121 0.000 1.199 80 Y CA -0.296 57.833 58.100 0.048 0.000 1.206 80 Y CB 1.351 39.850 38.460 0.065 0.000 1.229 80 Y HN 0.190 nan 8.280 nan 0.000 0.480 81 K N 3.603 124.214 120.400 0.350 0.000 2.535 81 K HA 0.247 4.567 4.320 0.000 0.000 0.253 81 K C -1.307 175.448 176.600 0.258 0.000 0.953 81 K CA -0.746 55.691 56.287 0.250 0.000 0.863 81 K CB 0.636 33.198 32.500 0.102 0.000 1.111 81 K HN 0.564 nan 8.250 nan 0.000 0.431 82 F N 4.014 124.059 119.950 0.158 0.000 2.623 82 F HA -0.068 4.459 4.527 0.000 0.000 0.383 82 F C 0.868 176.542 175.800 -0.210 0.000 1.077 82 F CA 0.772 58.649 58.000 -0.206 0.000 1.268 82 F CB 0.692 39.614 39.000 -0.130 0.000 1.053 82 F HN 0.789 nan 8.300 nan 0.000 0.571 83 D N 2.615 122.336 120.400 -1.131 0.000 2.805 83 D HA 0.103 4.743 4.640 0.000 0.000 0.271 83 D C -0.461 175.097 176.300 -1.236 0.000 1.166 83 D CA 1.138 54.620 54.000 -0.863 0.000 1.004 83 D CB 0.186 40.643 40.800 -0.573 0.000 1.136 83 D HN 0.712 nan 8.370 nan 0.000 0.444 84 Q N -1.265 117.725 119.800 -1.351 0.000 2.756 84 Q HA 0.321 4.661 4.340 0.000 0.000 0.295 84 Q C -1.183 174.626 176.000 -0.319 0.000 0.903 84 Q CA -1.018 54.288 55.803 -0.828 0.000 0.768 84 Q CB 1.040 29.597 28.738 -0.302 0.000 1.472 84 Q HN -0.046 nan 8.270 nan 0.000 0.416 85 M N 1.645 121.282 119.600 0.062 0.000 2.274 85 M HA 0.437 4.917 4.480 0.000 0.000 0.344 85 M C -0.673 175.557 176.300 -0.117 0.000 1.161 85 M CA -0.278 55.075 55.300 0.088 0.000 1.126 85 M CB 0.525 33.215 32.600 0.150 0.000 1.522 85 M HN 0.612 nan 8.290 nan 0.000 0.461 86 L N 4.533 125.644 121.223 -0.187 0.000 2.272 86 L HA 0.590 4.930 4.340 0.000 0.000 0.289 86 L C -0.382 176.492 176.870 0.008 0.000 1.032 86 L CA -0.337 54.239 54.840 -0.441 0.000 0.810 86 L CB 0.840 42.654 42.059 -0.409 0.000 1.205 86 L HN 0.596 nan 8.230 nan 0.000 0.422 87 L N 1.112 122.493 121.223 0.263 0.000 2.183 87 L HA 0.610 4.950 4.340 0.000 0.000 0.253 87 L C 0.155 177.230 176.870 0.342 0.000 1.048 87 L CA -0.839 54.175 54.840 0.290 0.000 0.890 87 L CB 1.938 44.136 42.059 0.232 0.000 1.476 87 L HN 0.340 nan 8.230 nan 0.000 0.455 88 T N 0.091 114.795 114.554 0.251 0.000 2.910 88 T HA 0.232 4.582 4.350 0.000 0.000 0.293 88 T C 1.078 175.872 174.700 0.157 0.000 1.015 88 T CA 0.319 62.552 62.100 0.222 0.000 1.094 88 T CB 1.682 70.679 68.868 0.216 0.000 0.968 88 T HN 0.686 nan 8.240 nan 0.000 0.521 89 A N 2.608 125.502 122.820 0.123 0.000 1.958 89 A HA -0.126 4.194 4.320 0.000 0.000 0.221 89 A C 1.010 178.635 177.584 0.068 0.000 1.178 89 A CA 1.585 53.662 52.037 0.067 0.000 0.642 89 A CB -0.482 18.554 19.000 0.060 0.000 0.816 89 A HN 0.845 nan 8.150 nan 0.000 0.453 90 Q N -1.849 118.004 119.800 0.090 0.000 2.451 90 Q HA 0.509 4.849 4.340 0.000 0.000 0.281 90 Q C -1.185 174.865 176.000 0.084 0.000 1.099 90 Q CA -0.948 54.903 55.803 0.080 0.000 0.806 90 Q CB 0.788 29.576 28.738 0.084 0.000 1.419 90 Q HN 0.132 nan 8.270 nan 0.000 0.427 91 N N 1.766 120.508 118.700 0.070 0.000 2.439 91 N HA 0.164 4.904 4.740 0.000 0.000 0.243 91 N C 0.441 175.991 175.510 0.068 0.000 1.088 91 N CA -0.082 53.006 53.050 0.064 0.000 0.940 91 N CB 0.393 38.911 38.487 0.050 0.000 1.180 91 N HN 0.773 nan 8.380 nan 0.000 0.505 92 L N 4.534 125.795 121.223 0.062 0.000 2.013 92 L HA -0.109 4.231 4.340 0.000 0.000 0.212 92 L C -0.647 176.295 176.870 0.118 0.000 1.073 92 L CA 1.273 56.177 54.840 0.106 0.000 0.753 92 L CB -1.254 40.761 42.059 -0.072 0.000 0.890 92 L HN 0.500 nan 8.230 nan 0.000 0.432 93 P HA -0.194 nan 4.420 nan 0.000 0.220 93 P C 1.262 178.563 177.300 0.001 0.000 1.144 93 P CA 1.610 64.721 63.100 0.018 0.000 0.800 93 P CB -0.023 31.681 31.700 0.007 0.000 0.772 94 A N -1.330 121.495 122.820 0.007 0.000 1.968 94 A HA -0.062 4.258 4.320 0.000 0.000 0.217 94 A C 2.109 179.649 177.584 -0.074 0.000 1.169 94 A CA 1.830 53.854 52.037 -0.022 0.000 0.638 94 A CB -0.733 18.263 19.000 -0.007 0.000 0.812 94 A HN 0.155 nan 8.150 nan 0.000 0.446 95 S N -2.564 113.068 115.700 -0.114 0.000 2.554 95 S HA 0.345 4.815 4.470 0.000 0.000 0.227 95 S C -0.331 173.909 174.600 -0.601 0.000 1.050 95 S CA -0.229 57.748 58.200 -0.372 0.000 0.927 95 S CB 0.061 62.946 63.200 -0.524 0.000 0.859 95 S HN 0.513 nan 8.310 nan 0.000 0.494 96 Y N 1.001 121.286 120.300 -0.026 0.000 2.570 96 Y HA 0.529 5.079 4.550 0.000 0.000 0.345 96 Y C 0.788 176.656 175.900 -0.054 0.000 1.014 96 Y CA -1.180 56.911 58.100 -0.015 0.000 1.063 96 Y CB 0.943 39.402 38.460 -0.002 0.000 1.272 96 Y HN -0.166 nan 8.280 nan 0.000 0.477 97 N N -0.295 118.465 118.700 0.100 0.000 2.463 97 N HA 0.071 4.811 4.740 0.000 0.000 0.183 97 N C -1.034 174.270 175.510 -0.343 0.000 1.064 97 N CA 0.549 53.514 53.050 -0.142 0.000 0.879 97 N CB 0.423 38.804 38.487 -0.176 0.000 1.148 97 N HN 0.521 nan 8.380 nan 0.000 0.451 98 Y N -0.554 119.817 120.300 0.118 0.000 2.524 98 Y HA 0.551 5.101 4.550 0.000 0.000 0.344 98 Y C 0.229 176.249 175.900 0.200 0.000 1.012 98 Y CA -1.170 57.021 58.100 0.150 0.000 1.068 98 Y CB 2.079 40.647 38.460 0.179 0.000 1.249 98 Y HN -0.018 nan 8.280 nan 0.000 0.468 99 C N 2.002 121.487 119.300 0.308 0.000 3.311 99 C HA 0.873 5.333 4.460 0.000 0.000 0.325 99 C C -1.788 173.107 174.990 -0.159 0.000 1.352 99 C CA -0.795 58.268 59.018 0.075 0.000 1.308 99 C CB 2.069 29.755 27.740 -0.091 0.000 1.619 99 C HN 1.026 nan 8.230 nan 0.000 0.469 100 R N 1.688 122.076 120.500 -0.187 0.000 2.535 100 R HA 0.622 4.962 4.340 0.000 0.000 0.274 100 R C -1.769 174.574 176.300 0.071 0.000 1.090 100 R CA -0.643 55.340 56.100 -0.196 0.000 0.930 100 R CB 1.768 31.708 30.300 -0.600 0.000 1.223 100 R HN 0.831 nan 8.270 nan 0.000 0.441 101 L N 4.426 125.730 121.223 0.134 0.000 2.331 101 L HA 0.225 4.565 4.340 0.000 0.000 0.278 101 L C 0.164 177.060 176.870 0.043 0.000 1.106 101 L CA 0.468 55.358 54.840 0.083 0.000 0.824 101 L CB 1.602 43.708 42.059 0.078 0.000 1.142 101 L HN 0.606 nan 8.230 nan 0.000 0.443 102 V N 2.514 122.416 119.914 -0.018 0.000 2.521 102 V HA 0.264 4.384 4.120 0.000 0.000 0.239 102 V C 0.653 176.809 176.094 0.104 0.000 1.053 102 V CA 1.146 63.522 62.300 0.127 0.000 1.073 102 V CB 0.099 31.990 31.823 0.113 0.000 0.746 102 V HN 0.929 nan 8.190 nan 0.000 0.476 103 S N -0.348 115.311 115.700 -0.069 0.000 2.588 103 S HA 0.805 5.275 4.470 0.000 0.000 0.269 103 S C -0.907 173.594 174.600 -0.166 0.000 1.157 103 S CA -0.859 57.285 58.200 -0.094 0.000 0.824 103 S CB 3.069 66.198 63.200 -0.118 0.000 1.126 103 S HN 0.414 nan 8.310 nan 0.000 0.464 104 R N -0.033 120.390 120.500 -0.129 0.000 2.629 104 R HA 0.734 5.074 4.340 0.000 0.000 0.266 104 R C -1.898 174.319 176.300 -0.138 0.000 1.051 104 R CA -0.093 55.923 56.100 -0.139 0.000 0.895 104 R CB 2.008 32.242 30.300 -0.110 0.000 1.246 104 R HN 1.051 nan 8.270 nan 0.000 0.459 105 S N 3.901 119.509 115.700 -0.154 0.000 2.566 105 S HA 0.707 5.177 4.470 0.000 0.000 0.273 105 S C -1.788 172.685 174.600 -0.210 0.000 1.157 105 S CA -0.612 57.466 58.200 -0.203 0.000 0.938 105 S CB 0.943 64.034 63.200 -0.182 0.000 1.087 105 S HN 0.487 nan 8.310 nan 0.000 0.474 106 L N 2.606 123.658 121.223 -0.286 0.000 2.424 106 L HA 0.679 5.019 4.340 0.000 0.000 0.258 106 L C -0.815 175.916 176.870 -0.231 0.000 0.995 106 L CA -0.644 54.030 54.840 -0.277 0.000 0.821 106 L CB 2.881 44.634 42.059 -0.511 0.000 1.383 106 L HN 0.661 nan 8.230 nan 0.000 0.410 107 T N 1.195 115.679 114.554 -0.118 0.000 2.890 107 T HA 0.481 4.831 4.350 0.000 0.000 0.295 107 T C -0.578 174.133 174.700 0.018 0.000 0.993 107 T CA -0.416 61.651 62.100 -0.055 0.000 0.979 107 T CB 1.681 70.527 68.868 -0.037 0.000 0.967 107 T HN 0.142 nan 8.240 nan 0.000 0.441 108 V N 4.533 124.480 119.914 0.055 0.000 2.481 108 V HA 0.766 4.886 4.120 0.000 0.000 0.286 108 V C 0.295 176.409 176.094 0.034 0.000 1.042 108 V CA -0.561 61.785 62.300 0.077 0.000 0.928 108 V CB 1.271 33.181 31.823 0.145 0.000 0.986 108 V HN 0.831 nan 8.190 nan 0.000 0.462 109 R N 3.048 123.547 120.500 -0.002 0.000 2.858 109 R HA 0.294 4.634 4.340 0.000 0.000 0.252 109 R C -0.782 175.495 176.300 -0.037 0.000 1.063 109 R CA -0.270 55.825 56.100 -0.008 0.000 0.955 109 R CB 1.701 32.007 30.300 0.010 0.000 1.259 109 R HN 0.821 nan 8.270 nan 0.000 0.477 110 S N 1.357 117.031 115.700 -0.043 0.000 2.580 110 S HA 0.216 4.686 4.470 0.000 0.000 0.274 110 S C 0.687 175.271 174.600 -0.026 0.000 1.329 110 S CA 0.198 58.366 58.200 -0.053 0.000 1.036 110 S CB 1.506 64.676 63.200 -0.049 0.000 0.919 110 S HN 0.750 nan 8.310 nan 0.000 0.515 111 S N 1.133 116.817 115.700 -0.028 0.000 2.632 111 S HA 0.292 4.762 4.470 0.000 0.000 0.237 111 S C 0.536 175.128 174.600 -0.013 0.000 1.037 111 S CA -0.284 57.907 58.200 -0.015 0.000 1.009 111 S CB -0.034 63.157 63.200 -0.014 0.000 0.974 111 S HN 0.717 nan 8.310 nan 0.000 0.544 112 T N 1.470 116.014 114.554 -0.016 0.000 2.633 112 T HA 0.779 5.129 4.350 0.000 0.000 0.262 112 T C -1.436 173.259 174.700 -0.008 0.000 0.920 112 T CA -0.723 61.369 62.100 -0.013 0.000 1.062 112 T CB 1.233 70.092 68.868 -0.015 0.000 1.390 112 T HN 0.216 nan 8.240 nan 0.000 0.549 113 L N 1.491 122.709 121.223 -0.009 0.000 3.111 113 L HA 0.290 4.630 4.340 0.000 0.000 0.259 113 L C -2.780 174.080 176.870 -0.017 0.000 0.946 113 L CA -1.458 53.380 54.840 -0.005 0.000 1.119 113 L CB 2.175 44.233 42.059 -0.001 0.000 1.698 113 L HN 0.449 nan 8.230 nan 0.000 0.540 114 P HA -0.062 nan 4.420 nan 0.000 0.269 114 P C 0.857 178.129 177.300 -0.047 0.000 1.185 114 P CA 0.451 63.539 63.100 -0.020 0.000 0.769 114 P CB 0.616 32.311 31.700 -0.008 0.000 0.809 115 G N 1.682 110.454 108.800 -0.047 0.000 2.653 115 G HA2 0.013 3.973 3.960 0.000 0.000 0.212 115 G HA3 0.013 3.973 3.960 0.000 0.000 0.212 115 G C 0.964 175.805 174.900 -0.099 0.000 1.138 115 G CA 0.588 45.649 45.100 -0.066 0.000 0.782 115 G HN 0.708 nan 8.290 nan 0.000 0.535 116 G N -1.123 107.618 108.800 -0.099 0.000 4.110 116 G HA2 0.431 4.391 3.960 0.000 0.000 0.292 116 G HA3 0.431 4.391 3.960 0.000 0.000 0.292 116 G C -0.851 173.955 174.900 -0.157 0.000 1.020 116 G CA 0.097 45.121 45.100 -0.125 0.000 0.808 116 G HN 0.335 nan 8.290 nan 0.000 0.474 117 V N 0.175 119.974 119.914 -0.191 0.000 3.049 117 V HA 0.654 4.774 4.120 0.000 0.000 0.309 117 V C -1.009 175.033 176.094 -0.087 0.000 1.148 117 V CA -1.120 61.135 62.300 -0.075 0.000 0.990 117 V CB 2.056 33.916 31.823 0.062 0.000 1.039 117 V HN 0.406 nan 8.190 nan 0.000 0.430 118 Y N 3.199 123.501 120.300 0.004 0.000 2.721 118 Y HA 0.704 5.254 4.550 0.000 0.000 0.251 118 Y C 0.567 176.471 175.900 0.006 0.000 1.136 118 Y CA -0.367 57.736 58.100 0.005 0.000 1.142 118 Y CB 0.419 38.881 38.460 0.004 0.000 1.212 118 Y HN 0.578 nan 8.280 nan 0.000 0.565 119 A N 1.642 124.597 122.820 0.225 0.000 2.539 119 A HA 0.285 4.605 4.320 0.000 0.000 0.306 119 A C 0.904 178.533 177.584 0.076 0.000 1.392 119 A CA -0.333 51.771 52.037 0.112 0.000 1.060 119 A CB -0.011 19.045 19.000 0.093 0.000 1.134 119 A HN 0.593 nan 8.150 nan 0.000 0.542 120 L N 1.936 123.195 121.223 0.060 0.000 2.270 120 L HA -0.181 4.159 4.340 0.000 0.000 0.217 120 L C 1.267 178.163 176.870 0.042 0.000 1.107 120 L CA 0.870 55.738 54.840 0.047 0.000 0.772 120 L CB -1.042 41.039 42.059 0.037 0.000 0.902 120 L HN 0.761 nan 8.230 nan 0.000 0.439 121 N N 0.983 119.707 118.700 0.040 0.000 1.507 121 N HA 0.003 4.743 4.740 0.000 0.000 0.385 121 N C 0.296 175.830 175.510 0.041 0.000 1.197 121 N CA 1.602 54.673 53.050 0.036 0.000 0.758 121 N CB -0.115 38.394 38.487 0.036 0.000 0.964 121 N HN 0.444 nan 8.380 nan 0.000 0.541 122 G N 0.650 109.476 108.800 0.043 0.000 2.542 122 G HA2 0.274 4.234 3.960 0.000 0.000 0.391 122 G HA3 0.274 4.234 3.960 0.000 0.000 0.391 122 G C -0.718 174.231 174.900 0.082 0.000 1.551 122 G CA -0.279 44.860 45.100 0.065 0.000 0.946 122 G HN 0.830 nan 8.290 nan 0.000 0.662 123 T N -0.896 113.728 114.554 0.117 0.000 2.883 123 T HA 0.850 5.200 4.350 0.000 0.000 0.301 123 T C -0.412 174.474 174.700 0.310 0.000 1.158 123 T CA -0.946 61.261 62.100 0.179 0.000 1.007 123 T CB 2.283 71.263 68.868 0.186 0.000 1.186 123 T HN 0.961 nan 8.240 nan 0.000 0.499 124 I N 1.429 122.186 120.570 0.311 0.000 2.647 124 I HA 0.531 4.701 4.170 0.000 0.000 0.295 124 I C -1.006 175.202 176.117 0.152 0.000 1.078 124 I CA -1.040 60.453 61.300 0.322 0.000 1.048 124 I CB 2.402 40.532 38.000 0.216 0.000 1.239 124 I HN 0.548 nan 8.210 nan 0.000 0.421 125 N N 3.300 121.982 118.700 -0.031 0.000 2.284 125 N HA 0.841 5.581 4.740 0.000 0.000 0.300 125 N C -1.348 174.090 175.510 -0.119 0.000 1.047 125 N CA -0.484 52.411 53.050 -0.259 0.000 0.821 125 N CB 2.426 40.440 38.487 -0.788 0.000 1.337 125 N HN 0.769 nan 8.380 nan 0.000 0.482 126 A N 0.638 123.411 122.820 -0.079 0.000 2.520 126 A HA 0.791 5.111 4.320 0.000 0.000 0.298 126 A C -1.099 176.461 177.584 -0.039 0.000 1.051 126 A CA -0.601 51.420 52.037 -0.028 0.000 0.690 126 A CB 0.930 19.947 19.000 0.029 0.000 1.281 126 A HN 0.482 nan 8.150 nan 0.000 0.402 127 V N -1.694 118.206 119.914 -0.022 0.000 3.159 127 V HA 0.897 5.017 4.120 0.000 0.000 0.308 127 V C -0.499 175.610 176.094 0.025 0.000 1.190 127 V CA -0.685 61.607 62.300 -0.012 0.000 1.037 127 V CB 1.611 33.422 31.823 -0.020 0.000 1.060 127 V HN 0.832 nan 8.190 nan 0.000 0.437 128 T N 3.396 117.974 114.554 0.040 0.000 2.864 128 T HA 0.521 4.871 4.350 0.000 0.000 0.310 128 T C -0.945 173.836 174.700 0.134 0.000 1.040 128 T CA 0.074 62.214 62.100 0.068 0.000 0.977 128 T CB 0.550 69.431 68.868 0.022 0.000 0.976 128 T HN 0.665 nan 8.240 nan 0.000 0.459 129 F N 2.979 122.916 119.950 -0.021 0.000 2.410 129 F HA 0.278 4.805 4.527 0.000 0.000 0.348 129 F C 1.219 177.018 175.800 -0.001 0.000 1.106 129 F CA -1.064 56.928 58.000 -0.013 0.000 1.163 129 F CB 1.055 40.048 39.000 -0.012 0.000 1.129 129 F HN 0.485 nan 8.300 nan 0.000 0.516 130 Q N 4.244 123.791 119.800 -0.422 0.000 2.265 130 Q HA 0.232 4.572 4.340 0.000 0.000 0.217 130 Q C 0.272 175.868 176.000 -0.674 0.000 0.916 130 Q CA 0.089 55.639 55.803 -0.421 0.000 0.948 130 Q CB -0.036 28.536 28.738 -0.275 0.000 1.020 130 Q HN 0.867 nan 8.270 nan 0.000 0.462 131 G N -0.852 107.295 108.800 -1.089 0.000 2.788 131 G HA2 0.381 4.341 3.960 0.000 0.000 0.293 131 G HA3 0.381 4.341 3.960 0.000 0.000 0.293 131 G C -0.917 173.904 174.900 -0.132 0.000 1.392 131 G CA -0.547 44.107 45.100 -0.742 0.000 0.810 131 G HN 0.065 nan 8.290 nan 0.000 0.508 132 S N -0.424 115.333 115.700 0.095 0.000 2.593 132 S HA 0.135 4.605 4.470 0.000 0.000 0.269 132 S C 1.567 176.376 174.600 0.349 0.000 1.334 132 S CA -0.577 57.764 58.200 0.234 0.000 1.015 132 S CB 1.413 64.739 63.200 0.211 0.000 0.912 132 S HN 0.610 nan 8.310 nan 0.000 0.541 133 L N 3.048 124.436 121.223 0.276 0.000 2.013 133 L HA -0.167 4.173 4.340 0.000 0.000 0.212 133 L C 2.463 179.445 176.870 0.187 0.000 1.073 133 L CA 2.519 57.467 54.840 0.181 0.000 0.753 133 L CB -1.398 40.720 42.059 0.099 0.000 0.890 133 L HN 0.876 nan 8.230 nan 0.000 0.432 134 S N -1.820 113.999 115.700 0.199 0.000 2.469 134 S HA -0.178 4.292 4.470 0.000 0.000 0.238 134 S C 1.731 176.427 174.600 0.161 0.000 0.998 134 S CA 1.193 59.491 58.200 0.164 0.000 0.957 134 S CB -0.591 62.682 63.200 0.123 0.000 0.764 134 S HN 0.650 nan 8.310 nan 0.000 0.514 135 E N 0.403 120.754 120.200 0.251 0.000 2.435 135 E HA 0.250 4.600 4.350 0.000 0.000 0.195 135 E C -0.059 176.662 176.600 0.202 0.000 1.029 135 E CA -0.169 56.413 56.400 0.302 0.000 0.865 135 E CB -0.099 29.862 29.700 0.435 0.000 0.833 135 E HN 0.552 nan 8.360 nan 0.000 0.510 136 L N 1.520 122.718 121.223 -0.043 0.000 2.540 136 L HA -0.040 4.300 4.340 0.000 0.000 0.276 136 L C 1.520 178.278 176.870 -0.187 0.000 1.212 136 L CA 0.281 54.850 54.840 -0.452 0.000 0.893 136 L CB 0.665 42.480 42.059 -0.406 0.000 1.138 136 L HN 0.176 nan 8.230 nan 0.000 0.491 137 T N -2.500 111.939 114.554 -0.193 0.000 3.107 137 T HA 0.074 4.424 4.350 0.000 0.000 0.249 137 T C 0.133 174.785 174.700 -0.080 0.000 1.096 137 T CA -0.126 61.924 62.100 -0.084 0.000 1.012 137 T CB 0.025 68.866 68.868 -0.046 0.000 0.977 137 T HN 0.582 nan 8.240 nan 0.000 0.527 138 D N 0.655 120.987 120.400 -0.113 0.000 2.521 138 D HA 0.105 4.745 4.640 0.000 0.000 0.195 138 D C -0.096 176.162 176.300 -0.070 0.000 1.286 138 D CA -0.557 53.402 54.000 -0.068 0.000 0.854 138 D CB 1.557 42.324 40.800 -0.056 0.000 1.723 138 D HN 0.083 nan 8.370 nan 0.000 0.550 139 V N 1.662 121.573 119.914 -0.004 0.000 3.121 139 V HA 0.391 4.511 4.120 0.000 0.000 0.344 139 V C 0.618 176.778 176.094 0.110 0.000 1.390 139 V CA 0.233 62.552 62.300 0.031 0.000 1.177 139 V CB -0.403 31.483 31.823 0.105 0.000 1.163 139 V HN 0.456 nan 8.190 nan 0.000 0.484 140 S N -0.935 114.815 115.700 0.084 0.000 2.614 140 S HA 0.329 4.799 4.470 0.000 0.000 0.265 140 S C 0.795 175.468 174.600 0.121 0.000 1.303 140 S CA 0.162 58.434 58.200 0.120 0.000 1.000 140 S CB 0.814 64.057 63.200 0.073 0.000 0.935 140 S HN 0.461 nan 8.310 nan 0.000 0.551 141 Y N 2.246 122.563 120.300 0.029 0.000 2.040 141 Y HA -0.273 4.277 4.550 0.000 0.000 0.275 141 Y C 2.055 177.961 175.900 0.010 0.000 1.171 141 Y CA 2.590 60.700 58.100 0.017 0.000 1.123 141 Y CB -0.506 37.958 38.460 0.007 0.000 0.963 141 Y HN 0.715 nan 8.280 nan 0.000 0.493 142 N N -0.346 118.413 118.700 0.098 0.000 2.446 142 N HA -0.029 4.711 4.740 0.000 0.000 0.179 142 N C 1.950 177.438 175.510 -0.037 0.000 1.054 142 N CA 0.898 53.945 53.050 -0.005 0.000 0.905 142 N CB -0.466 38.074 38.487 0.088 0.000 0.973 142 N HN 0.541 nan 8.380 nan 0.000 0.448 143 G N 2.061 110.852 108.800 -0.015 0.000 2.418 143 G HA2 -0.156 3.804 3.960 0.000 0.000 0.217 143 G HA3 -0.156 3.804 3.960 0.000 0.000 0.217 143 G C 1.688 176.547 174.900 -0.068 0.000 1.158 143 G CA 0.261 45.342 45.100 -0.032 0.000 0.771 143 G HN 0.177 nan 8.290 nan 0.000 0.545 144 L N 0.124 121.292 121.223 -0.091 0.000 2.021 144 L HA -0.175 4.165 4.340 0.000 0.000 0.215 144 L C 2.959 179.768 176.870 -0.101 0.000 1.074 144 L CA 1.009 55.781 54.840 -0.114 0.000 0.760 144 L CB -0.542 41.437 42.059 -0.134 0.000 0.889 144 L HN 0.132 nan 8.230 nan 0.000 0.433 145 M N -0.081 119.453 119.600 -0.110 0.000 2.327 145 M HA -0.175 4.305 4.480 0.000 0.000 0.258 145 M C 1.710 177.977 176.300 -0.055 0.000 1.079 145 M CA 1.621 56.868 55.300 -0.087 0.000 1.056 145 M CB -1.252 31.296 32.600 -0.087 0.000 1.387 145 M HN 0.431 nan 8.290 nan 0.000 0.423 146 S N -1.967 113.703 115.700 -0.049 0.000 2.754 146 S HA 0.519 4.989 4.470 0.000 0.000 0.247 146 S C 1.386 175.975 174.600 -0.020 0.000 1.031 146 S CA 0.068 58.251 58.200 -0.029 0.000 1.014 146 S CB 0.035 63.221 63.200 -0.023 0.000 0.918 146 S HN 0.336 nan 8.310 nan 0.000 0.519 147 A N 1.886 124.689 122.820 -0.029 0.000 2.014 147 A HA 0.273 4.593 4.320 0.000 0.000 0.218 147 A C 1.229 178.884 177.584 0.117 0.000 1.163 147 A CA 1.033 53.062 52.037 -0.013 0.000 0.652 147 A CB -0.409 18.533 19.000 -0.097 0.000 0.808 147 A HN 0.587 nan 8.150 nan 0.000 0.449 148 T N -4.460 110.139 114.554 0.075 0.000 2.906 148 T HA 0.648 4.998 4.350 0.000 0.000 0.295 148 T C 0.479 175.193 174.700 0.025 0.000 1.075 148 T CA -0.137 62.005 62.100 0.071 0.000 1.005 148 T CB 1.859 70.760 68.868 0.054 0.000 1.136 148 T HN 0.347 nan 8.240 nan 0.000 0.498 149 A N 0.880 123.709 122.820 0.015 0.000 2.195 149 A HA 0.289 4.609 4.320 0.000 0.000 0.210 149 A C 0.674 178.249 177.584 -0.015 0.000 1.165 149 A CA -0.129 51.908 52.037 -0.001 0.000 0.806 149 A CB -0.652 18.349 19.000 0.001 0.000 0.847 149 A HN 0.774 nan 8.150 nan 0.000 0.482 150 N N 0.341 119.030 118.700 -0.019 0.000 2.452 150 N HA 0.193 4.933 4.740 0.000 0.000 0.266 150 N C 0.677 176.156 175.510 -0.051 0.000 1.209 150 N CA -0.157 52.871 53.050 -0.036 0.000 0.929 150 N CB 0.849 39.311 38.487 -0.042 0.000 1.063 150 N HN 0.258 nan 8.380 nan 0.000 0.472 151 I N 2.316 122.852 120.570 -0.057 0.000 2.394 151 I HA -0.148 4.022 4.170 0.000 0.000 0.251 151 I C 0.893 176.947 176.117 -0.106 0.000 1.136 151 I CA 1.317 62.575 61.300 -0.070 0.000 1.425 151 I CB -0.081 37.882 38.000 -0.062 0.000 1.079 151 I HN 0.519 nan 8.210 nan 0.000 0.425 152 N N 0.786 119.410 118.700 -0.127 0.000 2.421 152 N HA -0.016 4.724 4.740 0.000 0.000 0.201 152 N C 0.091 175.481 175.510 -0.201 0.000 1.198 152 N CA 0.414 53.344 53.050 -0.200 0.000 0.838 152 N CB -0.014 38.343 38.487 -0.217 0.000 1.011 152 N HN 0.415 nan 8.380 nan 0.000 0.463 153 D N -0.048 120.274 120.400 -0.131 0.000 2.540 153 D HA 0.186 4.826 4.640 0.000 0.000 0.229 153 D C 0.094 176.349 176.300 -0.074 0.000 1.250 153 D CA 0.166 54.107 54.000 -0.098 0.000 0.817 153 D CB 1.003 41.770 40.800 -0.056 0.000 1.060 153 D HN 0.157 nan 8.370 nan 0.000 0.508 154 K N 0.112 120.458 120.400 -0.090 0.000 2.378 154 K HA 0.737 5.057 4.320 0.000 0.000 0.244 154 K C -1.156 175.396 176.600 -0.081 0.000 1.039 154 K CA -1.010 55.233 56.287 -0.073 0.000 0.863 154 K CB 2.698 35.160 32.500 -0.064 0.000 1.326 154 K HN -0.205 nan 8.250 nan 0.000 0.460 155 I N 0.044 120.574 120.570 -0.065 0.000 2.743 155 I HA 0.272 4.442 4.170 0.000 0.000 0.284 155 I C -1.627 174.463 176.117 -0.045 0.000 1.596 155 I CA 0.154 61.426 61.300 -0.047 0.000 1.066 155 I CB 1.849 39.833 38.000 -0.027 0.000 1.473 155 I HN 0.668 nan 8.210 nan 0.000 0.428 156 G N 4.796 113.579 108.800 -0.029 0.000 2.461 156 G HA2 0.489 4.449 3.960 0.000 0.000 0.323 156 G HA3 0.489 4.449 3.960 0.000 0.000 0.323 156 G C -0.407 174.509 174.900 0.027 0.000 1.229 156 G CA -0.535 44.549 45.100 -0.027 0.000 0.941 156 G HN 0.725 nan 8.290 nan 0.000 0.477 157 N N -0.259 118.481 118.700 0.066 0.000 2.705 157 N HA -0.164 4.576 4.740 0.000 0.000 0.255 157 N C 0.280 175.855 175.510 0.109 0.000 1.008 157 N CA 0.661 53.795 53.050 0.140 0.000 0.742 157 N CB -0.916 37.647 38.487 0.126 0.000 0.906 157 N HN 0.382 nan 8.380 nan 0.000 0.541 158 V N 1.120 121.098 119.914 0.106 0.000 2.614 158 V HA 0.148 4.268 4.120 0.000 0.000 0.291 158 V C 1.444 177.600 176.094 0.102 0.000 1.049 158 V CA -0.612 61.742 62.300 0.091 0.000 1.038 158 V CB 1.185 33.060 31.823 0.088 0.000 0.980 158 V HN 0.187 nan 8.190 nan 0.000 0.481 159 L N 4.580 125.853 121.223 0.082 0.000 2.490 159 L HA 0.056 4.396 4.340 0.000 0.000 0.274 159 L C 1.467 178.382 176.870 0.075 0.000 1.201 159 L CA -0.052 54.834 54.840 0.075 0.000 0.869 159 L CB 0.534 42.627 42.059 0.057 0.000 1.123 159 L HN 0.490 nan 8.230 nan 0.000 0.484 160 V N 3.408 123.367 119.914 0.076 0.000 2.490 160 V HA -0.205 3.915 4.120 0.000 0.000 0.250 160 V C 2.241 178.357 176.094 0.036 0.000 1.061 160 V CA 2.196 64.532 62.300 0.060 0.000 1.064 160 V CB -0.735 31.119 31.823 0.051 0.000 0.670 160 V HN 1.119 nan 8.190 nan 0.000 0.461 161 G N -0.297 108.525 108.800 0.035 0.000 2.418 161 G HA2 -0.195 3.765 3.960 0.000 0.000 0.217 161 G HA3 -0.195 3.765 3.960 0.000 0.000 0.217 161 G C 1.459 176.377 174.900 0.031 0.000 1.158 161 G CA 0.635 45.752 45.100 0.027 0.000 0.771 161 G HN 0.516 nan 8.290 nan 0.000 0.545 162 E N 0.557 120.782 120.200 0.040 0.000 2.047 162 E HA 0.144 4.494 4.350 0.000 0.000 0.191 162 E C 1.623 178.252 176.600 0.048 0.000 0.987 162 E CA 0.906 57.332 56.400 0.045 0.000 0.799 162 E CB -0.551 29.181 29.700 0.053 0.000 0.752 162 E HN 0.542 nan 8.360 nan 0.000 0.449 163 G N -0.130 108.702 108.800 0.053 0.000 2.712 163 G HA2 -0.146 3.814 3.960 0.000 0.000 0.683 163 G HA3 -0.146 3.814 3.960 0.000 0.000 0.683 163 G C -0.754 174.187 174.900 0.068 0.000 1.320 163 G CA -0.336 44.795 45.100 0.052 0.000 0.847 163 G HN 0.169 nan 8.290 nan 0.000 0.553 164 V N 0.016 119.968 119.914 0.064 0.000 2.962 164 V HA 0.852 4.972 4.120 0.000 0.000 0.313 164 V C 0.222 176.331 176.094 0.026 0.000 1.099 164 V CA -0.257 62.086 62.300 0.072 0.000 0.971 164 V CB 2.484 34.358 31.823 0.086 0.000 1.028 164 V HN 1.195 nan 8.190 nan 0.000 0.430 165 T N 2.674 117.234 114.554 0.012 0.000 2.824 165 T HA 0.556 4.906 4.350 0.000 0.000 0.282 165 T C -0.716 173.919 174.700 -0.107 0.000 0.993 165 T CA -0.349 61.666 62.100 -0.142 0.000 0.967 165 T CB 1.595 70.235 68.868 -0.379 0.000 0.960 165 T HN 0.345 nan 8.240 nan 0.000 0.441 166 V N 4.669 124.461 119.914 -0.202 0.000 2.350 166 V HA 0.443 4.563 4.120 0.000 0.000 0.276 166 V C -0.332 175.633 176.094 -0.215 0.000 1.028 166 V CA -0.767 61.427 62.300 -0.177 0.000 0.860 166 V CB 1.097 32.723 31.823 -0.329 0.000 0.990 166 V HN 0.638 nan 8.190 nan 0.000 0.453 167 L N 4.550 125.723 121.223 -0.084 0.000 2.309 167 L HA 0.592 4.932 4.340 0.000 0.000 0.282 167 L C 0.401 177.250 176.870 -0.036 0.000 1.036 167 L CA 0.451 55.242 54.840 -0.081 0.000 0.806 167 L CB 2.030 44.144 42.059 0.092 0.000 1.220 167 L HN 0.592 nan 8.230 nan 0.000 0.429 168 S N 5.489 121.157 115.700 -0.053 0.000 2.466 168 S HA 0.507 4.977 4.470 0.000 0.000 0.313 168 S C -0.263 174.334 174.600 -0.005 0.000 1.078 168 S CA -0.682 57.500 58.200 -0.030 0.000 1.115 168 S CB -0.542 62.634 63.200 -0.040 0.000 1.006 168 S HN 0.551 nan 8.310 nan 0.000 0.487 169 L N 5.687 126.912 121.223 0.003 0.000 2.453 169 L HA 0.432 4.772 4.340 0.000 0.000 0.261 169 L C -1.559 175.297 176.870 -0.022 0.000 1.179 169 L CA -1.942 52.905 54.840 0.011 0.000 0.813 169 L CB 0.086 42.149 42.059 0.007 0.000 1.110 169 L HN 0.441 nan 8.230 nan 0.000 0.466 170 P HA 0.005 nan 4.420 nan 0.000 0.268 170 P C 0.165 177.314 177.300 -0.251 0.000 1.204 170 P CA -0.135 62.825 63.100 -0.233 0.000 0.768 170 P CB 0.838 32.242 31.700 -0.493 0.000 0.842 171 T N -1.456 112.938 114.554 -0.268 0.000 3.105 171 T HA 0.319 4.669 4.350 0.000 0.000 0.253 171 T C 0.292 174.834 174.700 -0.263 0.000 1.047 171 T CA -0.226 61.748 62.100 -0.209 0.000 0.944 171 T CB -0.373 68.407 68.868 -0.146 0.000 1.016 171 T HN 0.649 nan 8.240 nan 0.000 0.544 172 S N -1.178 114.281 115.700 -0.401 0.000 2.802 172 S HA 0.289 4.759 4.470 0.000 0.000 0.272 172 S C -2.074 172.225 174.600 -0.501 0.000 0.788 172 S CA -0.966 57.019 58.200 -0.358 0.000 1.016 172 S CB -0.257 62.794 63.200 -0.249 0.000 1.278 172 S HN 0.404 nan 8.310 nan 0.000 0.494 173 Y N 1.216 121.479 120.300 -0.063 0.000 2.686 173 Y HA 0.504 5.054 4.550 0.000 0.000 0.330 173 Y C 0.740 176.602 175.900 -0.063 0.000 1.082 173 Y CA -0.407 57.654 58.100 -0.064 0.000 1.158 173 Y CB 1.022 39.446 38.460 -0.060 0.000 1.333 173 Y HN 0.829 nan 8.280 nan 0.000 0.519 174 D N 0.634 121.139 120.400 0.174 0.000 2.945 174 D HA -0.181 4.459 4.640 0.000 0.000 0.225 174 D C -1.040 175.295 176.300 0.057 0.000 1.158 174 D CA 0.775 54.825 54.000 0.082 0.000 0.805 174 D CB -1.034 39.802 40.800 0.060 0.000 1.098 174 D HN 0.283 nan 8.370 nan 0.000 0.426 175 L N -0.078 121.174 121.223 0.048 0.000 2.418 175 L HA 0.515 4.855 4.340 0.000 0.000 0.265 175 L C 1.837 178.797 176.870 0.150 0.000 1.143 175 L CA 0.025 54.885 54.840 0.033 0.000 0.809 175 L CB 1.013 43.008 42.059 -0.106 0.000 1.124 175 L HN 0.007 nan 8.230 nan 0.000 0.456 176 G N -0.213 108.732 108.800 0.242 0.000 2.588 176 G HA2 0.268 4.228 3.960 0.000 0.000 0.281 176 G HA3 0.268 4.228 3.960 0.000 0.000 0.281 176 G C -1.063 174.027 174.900 0.316 0.000 1.236 176 G CA -0.348 44.919 45.100 0.279 0.000 0.969 176 G HN 0.279 nan 8.290 nan 0.000 0.504 177 Y N -1.326 119.024 120.300 0.083 0.000 2.326 177 Y HA 0.368 4.918 4.550 0.000 0.000 0.333 177 Y C 0.855 176.784 175.900 0.047 0.000 1.240 177 Y CA -0.314 57.831 58.100 0.075 0.000 1.365 177 Y CB 1.304 39.799 38.460 0.057 0.000 1.289 177 Y HN 0.139 nan 8.280 nan 0.000 0.548 178 V N 3.593 123.525 119.914 0.031 0.000 2.713 178 V HA 0.433 4.553 4.120 0.000 0.000 0.307 178 V C -0.122 175.976 176.094 0.006 0.000 1.052 178 V CA -1.310 60.885 62.300 -0.176 0.000 0.967 178 V CB 1.683 33.182 31.823 -0.541 0.000 1.019 178 V HN 0.618 nan 8.190 nan 0.000 0.459 179 R N 2.730 123.170 120.500 -0.100 0.000 2.265 179 R HA 0.551 4.891 4.340 0.000 0.000 0.319 179 R C -0.684 175.484 176.300 -0.221 0.000 1.006 179 R CA -0.553 55.363 56.100 -0.306 0.000 0.880 179 R CB 0.634 30.710 30.300 -0.373 0.000 1.077 179 R HN 0.643 nan 8.270 nan 0.000 0.454 180 L N 2.048 123.147 121.223 -0.207 0.000 2.474 180 L HA 0.199 4.539 4.340 0.000 0.000 0.259 180 L C 1.552 178.363 176.870 -0.098 0.000 1.232 180 L CA -0.075 54.694 54.840 -0.119 0.000 0.821 180 L CB 0.513 42.525 42.059 -0.079 0.000 1.108 180 L HN 0.824 nan 8.230 nan 0.000 0.495 181 G N 0.297 109.074 108.800 -0.039 0.000 3.392 181 G HA2 0.004 3.964 3.960 0.000 0.000 0.247 181 G HA3 0.004 3.964 3.960 0.000 0.000 0.247 181 G C 0.111 174.987 174.900 -0.040 0.000 1.161 181 G CA -0.422 44.658 45.100 -0.032 0.000 1.739 181 G HN 0.758 nan 8.290 nan 0.000 0.619 182 D N 0.995 121.354 120.400 -0.068 0.000 2.443 182 D HA 0.072 4.712 4.640 0.000 0.000 0.239 182 D C -2.497 173.770 176.300 -0.055 0.000 1.136 182 D CA -1.408 52.556 54.000 -0.061 0.000 0.879 182 D CB 1.702 42.452 40.800 -0.083 0.000 1.195 182 D HN 0.111 nan 8.370 nan 0.000 0.443 183 P HA 0.183 nan 4.420 nan 0.000 0.282 183 P C -0.252 177.026 177.300 -0.037 0.000 1.262 183 P CA -0.562 62.518 63.100 -0.033 0.000 0.773 183 P CB 0.917 32.602 31.700 -0.025 0.000 0.879 184 I N 6.511 127.060 120.570 -0.035 0.000 2.612 184 I HA 0.377 4.547 4.170 0.000 0.000 0.295 184 I C -2.259 173.844 176.117 -0.024 0.000 1.011 184 I CA -3.003 58.279 61.300 -0.032 0.000 1.326 184 I CB 0.540 38.520 38.000 -0.032 0.000 1.427 184 I HN 0.225 nan 8.210 nan 0.000 0.537 185 P HA 0.440 nan 4.420 nan 0.000 0.267 185 P C -1.696 175.595 177.300 -0.014 0.000 1.205 185 P CA -0.121 62.968 63.100 -0.017 0.000 0.765 185 P CB 0.644 32.335 31.700 -0.015 0.000 0.828 186 A N 3.369 126.181 122.820 -0.013 0.000 2.573 186 A HA 0.573 4.893 4.320 0.000 0.000 0.299 186 A C -0.910 176.669 177.584 -0.009 0.000 1.060 186 A CA -0.646 51.385 52.037 -0.011 0.000 0.736 186 A CB 0.612 19.605 19.000 -0.012 0.000 1.280 186 A HN 0.546 nan 8.150 nan 0.000 0.401 187 I N 0.154 120.719 120.570 -0.008 0.000 2.493 187 I HA 0.982 5.152 4.170 0.000 0.000 0.298 187 I C 0.243 176.357 176.117 -0.006 0.000 0.998 187 I CA -0.706 60.590 61.300 -0.007 0.000 1.137 187 I CB 2.194 40.190 38.000 -0.006 0.000 1.310 187 I HN 0.858 nan 8.210 nan 0.000 0.445 188 G N 4.076 112.873 108.800 -0.005 0.000 2.708 188 G HA2 0.494 4.454 3.960 0.000 0.000 0.289 188 G HA3 0.494 4.454 3.960 0.000 0.000 0.289 188 G C -0.029 174.868 174.900 -0.004 0.000 1.416 188 G CA -0.910 44.187 45.100 -0.005 0.000 0.829 188 G HN 0.689 nan 8.290 nan 0.000 0.480 189 L N -0.544 120.677 121.223 -0.004 0.000 2.131 189 L HA 0.106 4.447 4.340 0.000 0.000 0.206 189 L C 0.950 177.818 176.870 -0.003 0.000 1.087 189 L CA 0.537 55.375 54.840 -0.004 0.000 0.767 189 L CB 0.026 42.083 42.059 -0.004 0.000 0.917 189 L HN 0.370 nan 8.230 nan 0.000 0.441 190 D N -0.027 120.371 120.400 -0.004 0.000 2.351 190 D HA 0.068 4.708 4.640 0.000 0.000 0.251 190 D C -1.691 174.607 176.300 -0.003 0.000 1.137 190 D CA -1.556 52.442 54.000 -0.003 0.000 0.879 190 D CB 1.987 42.785 40.800 -0.003 0.000 1.181 190 D HN -0.115 nan 8.370 nan 0.000 0.448 191 P HA -0.082 nan 4.420 nan 0.000 0.217 191 P C 0.304 177.604 177.300 -0.001 0.000 1.151 191 P CA 1.290 64.389 63.100 -0.002 0.000 0.828 191 P CB 0.152 31.851 31.700 -0.001 0.000 0.788 192 K N -0.928 119.471 120.400 -0.001 0.000 2.627 192 K HA 0.169 4.489 4.320 0.000 0.000 0.212 192 K C 0.609 177.208 176.600 -0.001 0.000 1.041 192 K CA 0.056 56.343 56.287 -0.000 0.000 1.205 192 K CB -0.749 31.751 32.500 0.001 0.000 0.936 192 K HN 0.106 nan 8.250 nan 0.000 0.489 193 M N 1.881 121.479 119.600 -0.002 0.000 2.200 193 M HA 0.163 4.643 4.480 0.000 0.000 0.355 193 M C -1.284 175.013 176.300 -0.004 0.000 1.283 193 M CA -0.322 54.976 55.300 -0.003 0.000 1.124 193 M CB 0.910 33.507 32.600 -0.004 0.000 1.625 193 M HN 0.044 nan 8.290 nan 0.000 0.463 194 V N 4.510 124.421 119.914 -0.004 0.000 2.588 194 V HA 0.807 4.927 4.120 0.000 0.000 0.304 194 V C -0.478 175.611 176.094 -0.009 0.000 1.042 194 V CA -0.880 61.416 62.300 -0.006 0.000 0.877 194 V CB 1.492 33.313 31.823 -0.003 0.000 0.996 194 V HN 0.955 nan 8.190 nan 0.000 0.425 195 A N 3.174 125.986 122.820 -0.012 0.000 2.359 195 A HA 0.962 5.282 4.320 0.000 0.000 0.303 195 A C -0.177 177.394 177.584 -0.023 0.000 1.066 195 A CA -0.268 51.759 52.037 -0.017 0.000 0.730 195 A CB 1.712 20.702 19.000 -0.017 0.000 1.211 195 A HN 1.089 nan 8.150 nan 0.000 0.439 196 T N -1.942 112.595 114.554 -0.029 0.000 2.868 196 T HA 0.526 4.876 4.350 0.000 0.000 0.306 196 T C -0.903 173.765 174.700 -0.053 0.000 1.224 196 T CA -0.654 61.423 62.100 -0.038 0.000 1.012 196 T CB 1.243 70.092 68.868 -0.032 0.000 1.221 196 T HN 1.137 nan 8.240 nan 0.000 0.499 197 C N 2.824 122.082 119.300 -0.069 0.000 2.251 197 C HA 0.582 5.042 4.460 0.000 0.000 0.323 197 C C -0.268 174.661 174.990 -0.101 0.000 1.241 197 C CA -0.414 58.551 59.018 -0.088 0.000 1.601 197 C CB -1.438 26.241 27.740 -0.102 0.000 2.251 197 C HN 0.860 nan 8.230 nan 0.000 0.488 198 D N 2.855 123.198 120.400 -0.094 0.000 2.388 198 D HA 0.259 4.899 4.640 0.000 0.000 0.254 198 D C 0.055 176.306 176.300 -0.081 0.000 1.111 198 D CA 0.152 54.105 54.000 -0.078 0.000 0.993 198 D CB 1.434 42.199 40.800 -0.058 0.000 1.118 198 D HN 0.680 nan 8.370 nan 0.000 0.502 199 S N -0.608 115.058 115.700 -0.056 0.000 2.465 199 S HA 0.219 4.689 4.470 0.000 0.000 0.280 199 S C 0.783 175.386 174.600 0.004 0.000 1.232 199 S CA -0.566 57.597 58.200 -0.062 0.000 1.066 199 S CB 0.715 63.856 63.200 -0.100 0.000 0.929 199 S HN 0.434 nan 8.310 nan 0.000 0.494 200 S N 1.620 117.324 115.700 0.007 0.000 2.731 200 S HA 0.148 4.618 4.470 0.000 0.000 0.244 200 S C -0.339 174.309 174.600 0.080 0.000 1.084 200 S CA -0.411 57.823 58.200 0.056 0.000 0.877 200 S CB -0.751 62.451 63.200 0.003 0.000 0.798 200 S HN 0.680 nan 8.310 nan 0.000 0.496 201 D N 3.148 123.586 120.400 0.063 0.000 2.629 201 D HA 0.167 4.807 4.640 0.000 0.000 0.228 201 D C 0.127 176.500 176.300 0.121 0.000 1.127 201 D CA 0.629 54.683 54.000 0.091 0.000 0.855 201 D CB 0.003 40.866 40.800 0.105 0.000 1.180 201 D HN 0.082 nan 8.370 nan 0.000 0.484 202 R N -0.165 120.402 120.500 0.112 0.000 3.201 202 R HA -0.112 4.228 4.340 0.000 0.000 0.254 202 R C -2.477 173.873 176.300 0.082 0.000 0.978 202 R CA 0.080 56.242 56.100 0.103 0.000 0.661 202 R CB -1.747 28.654 30.300 0.169 0.000 1.170 202 R HN 0.465 nan 8.270 nan 0.000 0.430 203 P HA 0.144 nan 4.420 nan 0.000 0.277 203 P C -0.412 176.879 177.300 -0.015 0.000 1.240 203 P CA -0.284 62.841 63.100 0.042 0.000 0.798 203 P CB 0.855 32.594 31.700 0.066 0.000 0.979 204 R N 1.389 121.858 120.500 -0.052 0.000 2.407 204 R HA 0.545 4.885 4.340 0.000 0.000 0.303 204 R C -1.364 174.834 176.300 -0.169 0.000 0.981 204 R CA -0.728 55.286 56.100 -0.143 0.000 0.905 204 R CB 0.978 31.170 30.300 -0.180 0.000 1.099 204 R HN 0.275 nan 8.270 nan 0.000 0.459 205 V N 5.105 124.882 119.914 -0.229 0.000 2.531 205 V HA 0.376 4.496 4.120 0.000 0.000 0.301 205 V C -1.344 174.627 176.094 -0.204 0.000 1.034 205 V CA -0.707 61.505 62.300 -0.148 0.000 0.865 205 V CB 1.625 33.402 31.823 -0.077 0.000 0.995 205 V HN 0.704 nan 8.190 nan 0.000 0.424 206 Y N 1.719 121.991 120.300 -0.046 0.000 2.328 206 Y HA 0.538 5.088 4.550 0.000 0.000 0.337 206 Y C 0.682 176.535 175.900 -0.079 0.000 0.966 206 Y CA -0.553 57.514 58.100 -0.054 0.000 1.136 206 Y CB 2.141 40.572 38.460 -0.047 0.000 1.170 206 Y HN 0.525 nan 8.280 nan 0.000 0.470 207 T N 5.759 120.347 114.554 0.056 0.000 2.756 207 T HA 0.543 4.893 4.350 0.000 0.000 0.290 207 T C -0.283 174.367 174.700 -0.084 0.000 0.985 207 T CA -0.453 61.630 62.100 -0.029 0.000 0.955 207 T CB 0.119 68.962 68.868 -0.041 0.000 0.930 207 T HN 0.382 nan 8.240 nan 0.000 0.451 208 I N 2.837 123.303 120.570 -0.174 0.000 2.382 208 I HA 0.238 4.408 4.170 0.000 0.000 0.286 208 I C 0.447 176.369 176.117 -0.326 0.000 1.002 208 I CA -0.643 60.469 61.300 -0.312 0.000 1.135 208 I CB 1.621 39.281 38.000 -0.566 0.000 1.288 208 I HN 0.446 nan 8.210 nan 0.000 0.448 209 T N 6.064 120.468 114.554 -0.250 0.000 3.176 209 T HA 0.196 4.546 4.350 0.000 0.000 0.301 209 T C 1.359 175.933 174.700 -0.210 0.000 1.115 209 T CA -0.122 61.865 62.100 -0.188 0.000 1.027 209 T CB 0.783 69.584 68.868 -0.112 0.000 1.063 209 T HN 0.776 nan 8.240 nan 0.000 0.669 210 A N 2.955 125.625 122.820 -0.250 0.000 1.927 210 A HA 0.285 4.605 4.320 0.000 0.000 0.220 210 A C 1.268 178.861 177.584 0.014 0.000 1.185 210 A CA 1.398 53.370 52.037 -0.109 0.000 0.639 210 A CB -0.132 18.944 19.000 0.126 0.000 0.820 210 A HN 0.940 nan 8.150 nan 0.000 0.451 211 A N -1.840 120.980 122.820 0.001 0.000 2.594 211 A HA 0.521 4.841 4.320 0.000 0.000 0.296 211 A C -1.826 175.787 177.584 0.048 0.000 1.056 211 A CA -0.235 51.836 52.037 0.057 0.000 0.693 211 A CB 0.832 19.918 19.000 0.144 0.000 1.278 211 A HN 0.103 nan 8.150 nan 0.000 0.408 212 D N 2.211 122.661 120.400 0.083 0.000 2.438 212 D HA 0.328 4.968 4.640 0.000 0.000 0.257 212 D C -0.767 175.593 176.300 0.100 0.000 1.148 212 D CA 0.326 54.362 54.000 0.060 0.000 0.902 212 D CB 0.395 41.218 40.800 0.038 0.000 1.062 212 D HN 0.535 nan 8.370 nan 0.000 0.518 213 D N 2.574 123.034 120.400 0.101 0.000 2.737 213 D HA -0.292 4.348 4.640 0.000 0.000 0.238 213 D C -0.551 175.850 176.300 0.168 0.000 1.157 213 D CA 0.578 54.647 54.000 0.114 0.000 0.694 213 D CB -1.132 39.710 40.800 0.070 0.000 1.021 213 D HN 0.496 nan 8.370 nan 0.000 0.420 214 Y N 1.304 121.685 120.300 0.135 0.000 2.359 214 Y HA 0.233 4.783 4.550 0.000 0.000 0.334 214 Y C 0.314 176.334 175.900 0.200 0.000 1.058 214 Y CA -0.190 58.007 58.100 0.163 0.000 1.244 214 Y CB 0.724 39.310 38.460 0.209 0.000 1.187 214 Y HN -0.045 nan 8.280 nan 0.000 0.510 215 Q N 6.909 126.325 119.800 -0.640 0.000 2.279 215 Q HA 0.204 4.544 4.340 0.000 0.000 0.256 215 Q C -1.350 174.083 176.000 -0.944 0.000 0.937 215 Q CA -0.231 55.238 55.803 -0.556 0.000 0.933 215 Q CB 1.382 29.930 28.738 -0.318 0.000 1.189 215 Q HN 0.729 nan 8.270 nan 0.000 0.417 216 F N 1.058 120.450 119.950 -0.930 0.000 2.522 216 F HA 0.617 5.144 4.527 0.000 0.000 0.324 216 F C -0.695 174.720 175.800 -0.642 0.000 1.077 216 F CA -0.772 56.633 58.000 -0.991 0.000 0.944 216 F CB 1.920 39.791 39.000 -1.882 0.000 1.175 216 F HN 0.385 nan 8.300 nan 0.000 0.468 217 S N 3.712 118.507 115.700 -1.508 0.000 2.583 217 S HA 0.582 5.052 4.470 0.000 0.000 0.294 217 S C -1.704 172.349 174.600 -0.910 0.000 1.121 217 S CA -0.361 57.160 58.200 -1.132 0.000 0.910 217 S CB 0.922 63.796 63.200 -0.544 0.000 1.102 217 S HN 1.074 nan 8.310 nan 0.000 0.451 218 S N 2.812 118.082 115.700 -0.717 0.000 2.543 218 S HA 0.474 4.944 4.470 0.000 0.000 0.274 218 S C -1.161 173.329 174.600 -0.184 0.000 1.149 218 S CA -0.703 57.289 58.200 -0.346 0.000 0.866 218 S CB 1.431 64.491 63.200 -0.233 0.000 1.111 218 S HN 0.941 nan 8.310 nan 0.000 0.457 219 Q N 2.511 122.260 119.800 -0.086 0.000 2.492 219 Q HA 0.326 4.666 4.340 0.000 0.000 0.238 219 Q C -0.016 176.020 176.000 0.061 0.000 1.045 219 Q CA -0.433 55.367 55.803 -0.005 0.000 0.934 219 Q CB 0.120 28.864 28.738 0.009 0.000 1.276 219 Q HN 0.676 nan 8.270 nan 0.000 0.521 220 Y N 0.777 121.072 120.300 -0.008 0.000 2.629 220 Y HA -0.091 4.459 4.550 0.000 0.000 0.354 220 Y C -0.392 175.522 175.900 0.024 0.000 1.268 220 Y CA 1.219 59.329 58.100 0.017 0.000 1.475 220 Y CB 0.476 38.946 38.460 0.016 0.000 1.346 220 Y HN 0.855 nan 8.280 nan 0.000 0.685 221 Q N 3.451 122.523 119.800 -1.213 0.000 2.599 221 Q HA 0.296 4.636 4.340 0.000 0.000 0.248 221 Q C -3.118 172.243 176.000 -1.065 0.000 0.964 221 Q CA -1.600 53.695 55.803 -0.847 0.000 1.011 221 Q CB 1.606 30.149 28.738 -0.325 0.000 1.592 221 Q HN 0.394 nan 8.270 nan 0.000 0.443 222 P HA 0.256 nan 4.420 nan 0.000 0.271 222 P C 0.556 177.759 177.300 -0.161 0.000 1.233 222 P CA 1.358 64.291 63.100 -0.278 0.000 0.764 222 P CB 0.878 32.527 31.700 -0.085 0.000 0.825 223 G N 2.325 111.077 108.800 -0.080 0.000 2.258 223 G HA2 0.004 3.964 3.960 0.000 0.000 0.233 223 G HA3 0.004 3.964 3.960 0.000 0.000 0.233 223 G C 0.431 175.311 174.900 -0.034 0.000 1.006 223 G CA 0.270 45.348 45.100 -0.036 0.000 0.620 223 G HN 1.065 nan 8.290 nan 0.000 0.511 224 G N -2.087 106.661 108.800 -0.087 0.000 2.663 224 G HA2 0.328 4.288 3.960 0.000 0.000 0.686 224 G HA3 0.328 4.288 3.960 0.000 0.000 0.686 224 G C -0.459 174.435 174.900 -0.011 0.000 1.288 224 G CA 0.044 45.126 45.100 -0.030 0.000 0.836 224 G HN 1.509 nan 8.290 nan 0.000 0.584 225 V N 0.466 120.419 119.914 0.064 0.000 2.532 225 V HA 0.800 4.920 4.120 0.000 0.000 0.295 225 V C 0.605 176.764 176.094 0.108 0.000 1.041 225 V CA -0.136 62.224 62.300 0.100 0.000 0.926 225 V CB 1.883 33.821 31.823 0.192 0.000 0.992 225 V HN 1.035 nan 8.190 nan 0.000 0.457 226 T N 5.742 120.340 114.554 0.073 0.000 2.824 226 T HA 0.683 5.033 4.350 0.000 0.000 0.282 226 T C -0.446 174.278 174.700 0.039 0.000 0.993 226 T CA -0.205 61.920 62.100 0.041 0.000 0.967 226 T CB 1.052 69.934 68.868 0.022 0.000 0.960 226 T HN 0.659 nan 8.240 nan 0.000 0.441 227 I N -0.365 120.214 120.570 0.014 0.000 2.646 227 I HA 0.674 4.844 4.170 0.000 0.000 0.299 227 I C -0.496 175.618 176.117 -0.006 0.000 1.036 227 I CA -0.858 60.456 61.300 0.023 0.000 1.074 227 I CB 2.307 40.334 38.000 0.045 0.000 1.258 227 I HN 0.331 nan 8.210 nan 0.000 0.430 228 T N 6.153 120.690 114.554 -0.027 0.000 2.811 228 T HA 0.188 4.538 4.350 0.000 0.000 0.309 228 T C 0.917 175.570 174.700 -0.078 0.000 1.005 228 T CA -0.323 61.731 62.100 -0.075 0.000 0.955 228 T CB 0.922 69.732 68.868 -0.097 0.000 0.970 228 T HN 0.584 nan 8.240 nan 0.000 0.496 229 L N 4.454 125.624 121.223 -0.089 0.000 2.013 229 L HA 0.096 4.436 4.340 0.000 0.000 0.212 229 L C 0.312 177.189 176.870 0.012 0.000 1.073 229 L CA 1.994 56.803 54.840 -0.051 0.000 0.753 229 L CB -0.432 41.644 42.059 0.028 0.000 0.890 229 L HN 0.715 nan 8.230 nan 0.000 0.432 230 F N -3.460 116.472 119.950 -0.030 0.000 2.741 230 F HA 0.626 5.153 4.527 0.000 0.000 0.313 230 F C -0.703 175.082 175.800 -0.025 0.000 1.153 230 F CA -0.945 57.030 58.000 -0.041 0.000 0.931 230 F CB 0.813 39.784 39.000 -0.048 0.000 1.335 230 F HN -0.273 nan 8.300 nan 0.000 0.460 231 S N 1.209 117.126 115.700 0.362 0.000 2.649 231 S HA 0.846 5.316 4.470 0.000 0.000 0.274 231 S C -1.477 173.251 174.600 0.213 0.000 1.176 231 S CA 0.218 58.548 58.200 0.216 0.000 0.988 231 S CB 0.716 63.945 63.200 0.047 0.000 1.071 231 S HN 1.667 nan 8.310 nan 0.000 0.478 232 A N 4.025 126.962 122.820 0.195 0.000 2.423 232 A HA 0.799 5.119 4.320 0.000 0.000 0.304 232 A C -0.846 176.723 177.584 -0.025 0.000 1.104 232 A CA -0.935 51.129 52.037 0.045 0.000 0.757 232 A CB 1.089 20.068 19.000 -0.035 0.000 1.313 232 A HN 0.757 nan 8.150 nan 0.000 0.423 233 N N 1.153 119.816 118.700 -0.061 0.000 2.444 233 N HA 0.547 5.287 4.740 0.000 0.000 0.271 233 N C -0.506 174.868 175.510 -0.227 0.000 1.069 233 N CA 0.160 53.164 53.050 -0.077 0.000 0.965 233 N CB 1.135 39.615 38.487 -0.012 0.000 1.092 233 N HN 0.727 nan 8.380 nan 0.000 0.476 234 I N -1.960 118.456 120.570 -0.258 0.000 3.174 234 I HA 0.595 4.765 4.170 0.000 0.000 0.313 234 I C -1.183 174.874 176.117 -0.101 0.000 1.155 234 I CA -0.939 60.051 61.300 -0.516 0.000 0.977 234 I CB 2.795 40.387 38.000 -0.681 0.000 1.248 234 I HN 0.049 nan 8.210 nan 0.000 0.453 235 D N 2.207 122.654 120.400 0.078 0.000 2.619 235 D HA 0.757 5.397 4.640 0.000 0.000 0.241 235 D C -1.108 175.270 176.300 0.129 0.000 1.087 235 D CA -0.260 53.822 54.000 0.138 0.000 0.851 235 D CB 2.435 43.355 40.800 0.200 0.000 1.474 235 D HN 0.937 nan 8.370 nan 0.000 0.478 236 A N 1.489 124.352 122.820 0.070 0.000 2.555 236 A HA 0.499 4.819 4.320 0.000 0.000 0.297 236 A C -0.482 177.091 177.584 -0.018 0.000 1.060 236 A CA -0.519 51.541 52.037 0.039 0.000 0.710 236 A CB 0.735 19.758 19.000 0.038 0.000 1.282 236 A HN 0.533 nan 8.150 nan 0.000 0.399 237 I N 0.408 120.947 120.570 -0.051 0.000 4.607 237 I HA 0.133 4.303 4.170 0.000 0.000 0.324 237 I C 1.140 177.218 176.117 -0.066 0.000 1.279 237 I CA 0.925 62.142 61.300 -0.137 0.000 1.286 237 I CB 0.802 38.596 38.000 -0.343 0.000 1.265 237 I HN 0.781 nan 8.210 nan 0.000 0.446 238 T N -1.181 113.379 114.554 0.010 0.000 2.841 238 T HA 0.437 4.787 4.350 0.000 0.000 0.276 238 T C 0.355 175.093 174.700 0.063 0.000 1.003 238 T CA -0.480 61.649 62.100 0.049 0.000 0.995 238 T CB 1.319 70.249 68.868 0.103 0.000 1.260 238 T HN 0.132 nan 8.240 nan 0.000 0.581 239 S N 0.557 116.314 115.700 0.095 0.000 2.554 239 S HA 0.353 4.823 4.470 0.000 0.000 0.290 239 S C 0.118 174.807 174.600 0.147 0.000 1.309 239 S CA -0.300 57.982 58.200 0.138 0.000 1.047 239 S CB -0.930 62.380 63.200 0.182 0.000 0.828 239 S HN 1.187 nan 8.310 nan 0.000 0.509 240 L N -0.885 120.385 121.223 0.077 0.000 2.503 240 L HA 0.964 5.304 4.340 0.000 0.000 0.248 240 L C -0.856 176.012 176.870 -0.004 0.000 1.126 240 L CA -1.017 53.769 54.840 -0.091 0.000 0.929 240 L CB 1.693 43.727 42.059 -0.042 0.000 1.544 240 L HN 0.932 nan 8.230 nan 0.000 0.404 241 S N -0.627 115.045 115.700 -0.046 0.000 2.548 241 S HA 0.735 5.205 4.470 0.000 0.000 0.278 241 S C -1.196 173.430 174.600 0.043 0.000 1.150 241 S CA -0.673 57.556 58.200 0.048 0.000 0.907 241 S CB 1.494 64.769 63.200 0.125 0.000 1.108 241 S HN 0.655 nan 8.310 nan 0.000 0.459 242 V N 2.025 121.988 119.914 0.081 0.000 2.435 242 V HA 0.911 5.031 4.120 0.000 0.000 0.290 242 V C 0.859 177.027 176.094 0.124 0.000 1.030 242 V CA 0.255 62.611 62.300 0.095 0.000 0.881 242 V CB 1.291 33.200 31.823 0.144 0.000 0.983 242 V HN 1.289 nan 8.190 nan 0.000 0.445 243 G N 1.443 110.288 108.800 0.074 0.000 2.680 243 G HA2 0.888 4.848 3.960 0.000 0.000 0.290 243 G HA3 0.888 4.848 3.960 0.000 0.000 0.290 243 G C -0.299 174.601 174.900 -0.001 0.000 1.355 243 G CA -0.079 45.076 45.100 0.092 0.000 0.903 243 G HN 1.383 nan 8.290 nan 0.000 0.474 244 G N -1.078 107.746 108.800 0.039 0.000 2.270 244 G HA2 0.444 4.404 3.960 0.000 0.000 0.268 244 G HA3 0.444 4.404 3.960 0.000 0.000 0.268 244 G C -1.180 173.771 174.900 0.084 0.000 1.312 244 G CA 0.184 45.254 45.100 -0.051 0.000 1.050 244 G HN 1.068 nan 8.290 nan 0.000 0.474 245 E N -1.265 118.947 120.200 0.021 0.000 2.431 245 E HA 0.504 4.854 4.350 0.000 0.000 0.287 245 E C -1.732 174.950 176.600 0.136 0.000 1.032 245 E CA -0.711 55.819 56.400 0.217 0.000 0.839 245 E CB 1.547 31.328 29.700 0.134 0.000 1.218 245 E HN 0.596 nan 8.360 nan 0.000 0.424 246 L N 3.483 124.869 121.223 0.271 0.000 2.333 246 L HA 0.558 4.898 4.340 0.000 0.000 0.280 246 L C -0.776 176.077 176.870 -0.028 0.000 1.004 246 L CA -1.089 53.787 54.840 0.059 0.000 0.820 246 L CB 1.856 44.000 42.059 0.142 0.000 1.247 246 L HN 0.323 nan 8.230 nan 0.000 0.416 247 V N 3.430 123.240 119.914 -0.173 0.000 2.394 247 V HA 0.421 4.541 4.120 0.000 0.000 0.282 247 V C -0.378 175.556 176.094 -0.267 0.000 1.031 247 V CA -0.392 61.852 62.300 -0.093 0.000 0.881 247 V CB 1.244 33.044 31.823 -0.037 0.000 0.982 247 V HN 0.363 nan 8.190 nan 0.000 0.451 248 F N 4.107 124.032 119.950 -0.041 0.000 2.492 248 F HA 0.765 5.292 4.527 0.000 0.000 0.327 248 F C 0.528 176.335 175.800 0.012 0.000 1.079 248 F CA -0.730 57.237 58.000 -0.056 0.000 0.967 248 F CB 1.730 40.610 39.000 -0.200 0.000 1.169 248 F HN 0.259 nan 8.300 nan 0.000 0.472 249 R N 0.948 121.606 120.500 0.264 0.000 2.686 249 R HA 0.691 5.031 4.340 0.000 0.000 0.283 249 R C -1.106 175.334 176.300 0.234 0.000 0.978 249 R CA -0.797 55.416 56.100 0.188 0.000 0.897 249 R CB 2.053 32.433 30.300 0.133 0.000 1.192 249 R HN 0.702 nan 8.270 nan 0.000 0.457 250 T N -0.694 113.950 114.554 0.150 0.000 2.942 250 T HA 0.250 4.600 4.350 0.000 0.000 0.327 250 T C 0.119 174.832 174.700 0.021 0.000 1.360 250 T CA -0.309 61.872 62.100 0.135 0.000 1.055 250 T CB 1.449 70.423 68.868 0.177 0.000 1.261 250 T HN 0.434 nan 8.240 nan 0.000 0.485 251 S N 1.315 117.016 115.700 0.001 0.000 2.492 251 S HA 0.217 4.687 4.470 0.000 0.000 0.218 251 S C 0.838 175.350 174.600 -0.146 0.000 1.016 251 S CA -0.086 58.078 58.200 -0.059 0.000 0.916 251 S CB 0.268 63.462 63.200 -0.010 0.000 0.791 251 S HN 0.603 nan 8.310 nan 0.000 0.513 252 V N 3.020 122.886 119.914 -0.081 0.000 3.051 252 V HA 0.144 4.264 4.120 0.000 0.000 0.306 252 V C 0.180 176.162 176.094 -0.187 0.000 1.083 252 V CA -0.145 62.121 62.300 -0.056 0.000 1.104 252 V CB 0.425 32.272 31.823 0.040 0.000 1.027 252 V HN 0.452 nan 8.190 nan 0.000 0.483 253 H N 1.175 120.272 119.070 0.045 0.000 2.529 253 H HA 0.412 4.968 4.556 0.000 0.000 0.348 253 H C 0.935 176.284 175.328 0.035 0.000 1.152 253 H CA 0.376 56.446 56.048 0.037 0.000 1.202 253 H CB 1.664 31.439 29.762 0.021 0.000 1.562 253 H HN 0.940 nan 8.280 nan 0.000 0.515 254 G N 2.513 111.404 108.800 0.150 0.000 2.295 254 G HA2 -0.246 3.714 3.960 0.000 0.000 0.287 254 G HA3 -0.246 3.714 3.960 0.000 0.000 0.287 254 G C -0.201 174.747 174.900 0.079 0.000 1.055 254 G CA 0.004 45.160 45.100 0.094 0.000 0.922 254 G HN 0.406 nan 8.290 nan 0.000 0.503 255 L N -0.223 121.046 121.223 0.076 0.000 2.289 255 L HA 0.572 4.912 4.340 0.000 0.000 0.285 255 L C 0.316 177.209 176.870 0.039 0.000 1.049 255 L CA -1.091 53.803 54.840 0.090 0.000 0.804 255 L CB 1.955 44.096 42.059 0.137 0.000 1.195 255 L HN -0.027 nan 8.230 nan 0.000 0.428 256 V N 5.391 125.328 119.914 0.037 0.000 2.313 256 V HA 0.334 4.454 4.120 0.000 0.000 0.278 256 V C 0.214 176.279 176.094 -0.048 0.000 1.017 256 V CA -0.427 61.864 62.300 -0.015 0.000 0.823 256 V CB 1.476 33.300 31.823 0.002 0.000 1.010 256 V HN 0.543 nan 8.190 nan 0.000 0.443 257 L N 3.993 125.126 121.223 -0.150 0.000 2.350 257 L HA 0.741 5.081 4.340 0.000 0.000 0.275 257 L C 0.824 177.577 176.870 -0.195 0.000 1.099 257 L CA 0.047 54.745 54.840 -0.236 0.000 0.808 257 L CB 1.340 43.069 42.059 -0.550 0.000 1.149 257 L HN 0.736 nan 8.230 nan 0.000 0.442 258 G N 1.749 110.456 108.800 -0.154 0.000 2.590 258 G HA2 0.723 4.683 3.960 0.000 0.000 0.310 258 G HA3 0.723 4.683 3.960 0.000 0.000 0.310 258 G C -1.513 173.314 174.900 -0.122 0.000 1.347 258 G CA -0.336 44.691 45.100 -0.121 0.000 0.963 258 G HN 0.751 nan 8.290 nan 0.000 0.494 259 A N 1.571 124.310 122.820 -0.134 0.000 2.422 259 A HA 0.922 5.242 4.320 0.000 0.000 0.302 259 A C -0.380 177.132 177.584 -0.121 0.000 1.041 259 A CA -0.609 51.360 52.037 -0.113 0.000 0.708 259 A CB 2.075 20.994 19.000 -0.135 0.000 1.257 259 A HN 0.726 nan 8.150 nan 0.000 0.414 260 T N 2.088 116.594 114.554 -0.079 0.000 2.912 260 T HA 0.552 4.902 4.350 0.000 0.000 0.299 260 T C -0.732 173.888 174.700 -0.134 0.000 1.052 260 T CA -0.158 61.849 62.100 -0.155 0.000 0.996 260 T CB 1.051 69.790 68.868 -0.215 0.000 1.070 260 T HN 0.506 nan 8.240 nan 0.000 0.465 261 I N 2.788 123.235 120.570 -0.205 0.000 2.412 261 I HA 0.483 4.653 4.170 0.000 0.000 0.296 261 I C -1.165 174.804 176.117 -0.247 0.000 0.987 261 I CA -0.804 60.441 61.300 -0.091 0.000 1.180 261 I CB 1.197 39.219 38.000 0.037 0.000 1.340 261 I HN 0.599 nan 8.210 nan 0.000 0.455 262 Y N 5.940 126.220 120.300 -0.034 0.000 2.446 262 Y HA 0.570 5.120 4.550 0.000 0.000 0.345 262 Y C -0.465 175.426 175.900 -0.016 0.000 0.984 262 Y CA -0.799 57.284 58.100 -0.027 0.000 1.058 262 Y CB 1.649 40.084 38.460 -0.041 0.000 1.220 262 Y HN 0.244 nan 8.280 nan 0.000 0.455 263 L N 5.048 126.352 121.223 0.135 0.000 2.316 263 L HA 0.470 4.810 4.340 0.000 0.000 0.280 263 L C -1.064 175.852 176.870 0.077 0.000 1.006 263 L CA -0.638 54.250 54.840 0.079 0.000 0.836 263 L CB 0.896 42.980 42.059 0.042 0.000 1.221 263 L HN 0.461 nan 8.230 nan 0.000 0.418 264 I N 2.251 122.857 120.570 0.060 0.000 2.385 264 I HA 0.386 4.556 4.170 0.000 0.000 0.294 264 I C 1.046 177.187 176.117 0.039 0.000 0.988 264 I CA -0.157 61.168 61.300 0.043 0.000 1.265 264 I CB 1.331 39.340 38.000 0.016 0.000 1.388 264 I HN 0.533 nan 8.210 nan 0.000 0.480 265 G N 3.379 112.206 108.800 0.044 0.000 2.621 265 G HA2 0.131 4.091 3.960 0.000 0.000 0.271 265 G HA3 0.131 4.091 3.960 0.000 0.000 0.271 265 G C 0.404 175.373 174.900 0.115 0.000 1.236 265 G CA -0.301 44.846 45.100 0.078 0.000 0.958 265 G HN 0.600 nan 8.290 nan 0.000 0.512 266 F N 0.439 120.401 119.950 0.020 0.000 2.269 266 F HA -0.079 4.448 4.527 0.000 0.000 0.301 266 F C 2.091 177.836 175.800 -0.092 0.000 1.082 266 F CA 1.742 59.673 58.000 -0.114 0.000 1.360 266 F CB 0.205 38.979 39.000 -0.377 0.000 1.041 266 F HN 0.406 nan 8.300 nan 0.000 0.512 267 D N -1.052 119.395 120.400 0.077 0.000 2.319 267 D HA 0.180 4.820 4.640 0.000 0.000 0.230 267 D C 1.844 178.145 176.300 0.003 0.000 1.094 267 D CA 0.665 54.701 54.000 0.061 0.000 0.856 267 D CB -0.463 40.541 40.800 0.340 0.000 0.915 267 D HN 0.392 nan 8.370 nan 0.000 0.517 268 G N -0.509 108.265 108.800 -0.042 0.000 2.234 268 G HA2 -0.299 3.661 3.960 0.000 0.000 0.260 268 G HA3 -0.299 3.661 3.960 0.000 0.000 0.260 268 G C 0.606 175.503 174.900 -0.004 0.000 0.987 268 G CA 0.410 45.486 45.100 -0.040 0.000 0.625 268 G HN 0.490 nan 8.290 nan 0.000 0.532 269 T N 2.124 116.700 114.554 0.036 0.000 2.926 269 T HA 0.447 4.797 4.350 0.000 0.000 0.307 269 T C 0.710 175.435 174.700 0.041 0.000 1.059 269 T CA 0.997 63.124 62.100 0.045 0.000 1.122 269 T CB 0.839 69.755 68.868 0.079 0.000 0.972 269 T HN 0.232 nan 8.240 nan 0.000 0.545 270 T N 3.353 117.936 114.554 0.048 0.000 2.761 270 T HA 0.198 4.548 4.350 0.000 0.000 0.296 270 T C 1.412 176.152 174.700 0.067 0.000 0.934 270 T CA -0.546 61.602 62.100 0.082 0.000 1.091 270 T CB 0.803 69.758 68.868 0.145 0.000 0.896 270 T HN 0.368 nan 8.240 nan 0.000 0.515 271 V N 4.298 124.244 119.914 0.052 0.000 2.685 271 V HA 0.304 4.424 4.120 0.000 0.000 0.244 271 V C 0.714 176.820 176.094 0.020 0.000 1.054 271 V CA 0.878 63.189 62.300 0.018 0.000 1.076 271 V CB -0.024 31.793 31.823 -0.010 0.000 0.725 271 V HN 0.735 nan 8.190 nan 0.000 0.467 272 I N -0.817 119.772 120.570 0.032 0.000 2.752 272 I HA 0.430 4.600 4.170 0.000 0.000 0.295 272 I C -0.863 175.240 176.117 -0.022 0.000 1.219 272 I CA -0.129 61.173 61.300 0.004 0.000 1.030 272 I CB 2.578 40.576 38.000 -0.004 0.000 1.259 272 I HN -0.003 nan 8.210 nan 0.000 0.423 273 T N 5.274 119.771 114.554 -0.095 0.000 2.921 273 T HA 0.633 4.983 4.350 0.000 0.000 0.297 273 T C -1.200 173.358 174.700 -0.237 0.000 1.013 273 T CA -0.583 61.350 62.100 -0.279 0.000 0.990 273 T CB 1.066 69.740 68.868 -0.323 0.000 1.023 273 T HN 0.486 nan 8.240 nan 0.000 0.447 274 R N 2.303 122.636 120.500 -0.278 0.000 2.725 274 R HA 0.717 5.057 4.340 0.000 0.000 0.277 274 R C -0.837 175.342 176.300 -0.201 0.000 0.987 274 R CA -0.897 55.094 56.100 -0.181 0.000 0.901 274 R CB 1.740 31.978 30.300 -0.103 0.000 1.207 274 R HN 0.743 nan 8.270 nan 0.000 0.463 275 A N 2.157 124.883 122.820 -0.157 0.000 2.343 275 A HA 0.305 4.625 4.320 0.000 0.000 0.305 275 A C 1.067 178.549 177.584 -0.170 0.000 1.308 275 A CA -0.463 51.480 52.037 -0.157 0.000 0.949 275 A CB 0.197 19.122 19.000 -0.124 0.000 1.148 275 A HN 0.475 nan 8.150 nan 0.000 0.545 276 V N 1.915 121.697 119.914 -0.220 0.000 2.548 276 V HA 0.129 4.249 4.120 0.000 0.000 0.249 276 V C 1.269 177.148 176.094 -0.358 0.000 1.055 276 V CA 2.056 64.141 62.300 -0.359 0.000 1.065 276 V CB -0.579 30.884 31.823 -0.600 0.000 0.681 276 V HN 1.348 nan 8.190 nan 0.000 0.462 277 A N -0.587 122.075 122.820 -0.265 0.000 2.045 277 A HA 0.676 4.996 4.320 0.000 0.000 0.298 277 A C -0.580 176.903 177.584 -0.169 0.000 1.052 277 A CA 0.152 52.062 52.037 -0.212 0.000 0.961 277 A CB -0.211 18.643 19.000 -0.244 0.000 1.350 277 A HN 0.528 nan 8.150 nan 0.000 0.352 278 A N 2.393 125.136 122.820 -0.129 0.000 2.301 278 A HA 0.770 5.090 4.320 0.000 0.000 0.312 278 A C 0.535 178.066 177.584 -0.088 0.000 1.182 278 A CA 0.223 52.199 52.037 -0.102 0.000 0.826 278 A CB 0.113 19.064 19.000 -0.082 0.000 1.134 278 A HN 2.281 nan 8.150 nan 0.000 0.501 279 N N 1.303 119.955 118.700 -0.081 0.000 2.531 279 N HA -0.167 4.573 4.740 0.000 0.000 0.279 279 N C -1.319 174.144 175.510 -0.078 0.000 1.267 279 N CA 0.787 53.798 53.050 -0.064 0.000 0.663 279 N CB -0.937 37.523 38.487 -0.045 0.000 0.886 279 N HN 0.775 nan 8.380 nan 0.000 0.544 280 N N 1.074 119.713 118.700 -0.102 0.000 2.352 280 N HA 0.588 5.328 4.740 0.000 0.000 0.291 280 N C -0.465 174.982 175.510 -0.104 0.000 1.040 280 N CA 0.138 53.119 53.050 -0.114 0.000 0.864 280 N CB 1.519 39.902 38.487 -0.173 0.000 1.440 280 N HN 0.486 nan 8.380 nan 0.000 0.483 281 G N 3.064 111.823 108.800 -0.068 0.000 2.319 281 G HA2 0.466 4.426 3.960 0.000 0.000 0.308 281 G HA3 0.466 4.426 3.960 0.000 0.000 0.308 281 G C -0.040 174.833 174.900 -0.046 0.000 1.117 281 G CA -0.412 44.662 45.100 -0.044 0.000 0.903 281 G HN 0.503 nan 8.290 nan 0.000 0.436 282 L N 2.358 123.554 121.223 -0.045 0.000 2.290 282 L HA 0.290 4.630 4.340 0.000 0.000 0.284 282 L C 0.495 177.368 176.870 0.004 0.000 1.078 282 L CA -0.409 54.413 54.840 -0.031 0.000 0.815 282 L CB 1.267 43.304 42.059 -0.037 0.000 1.162 282 L HN 0.343 nan 8.230 nan 0.000 0.435 283 T N 1.575 116.136 114.554 0.012 0.000 2.806 283 T HA 0.169 4.519 4.350 0.000 0.000 0.290 283 T C 0.347 175.043 174.700 -0.008 0.000 0.966 283 T CA -0.418 61.692 62.100 0.017 0.000 1.060 283 T CB 0.943 69.828 68.868 0.029 0.000 0.927 283 T HN 0.515 nan 8.240 nan 0.000 0.485 284 T N 3.216 117.727 114.554 -0.072 0.000 2.928 284 T HA 0.394 4.744 4.350 0.000 0.000 0.305 284 T C 1.578 176.256 174.700 -0.038 0.000 1.035 284 T CA 0.771 62.782 62.100 -0.148 0.000 1.145 284 T CB 0.484 69.071 68.868 -0.468 0.000 0.963 284 T HN 0.943 nan 8.240 nan 0.000 0.545 285 G N 3.625 112.417 108.800 -0.013 0.000 3.444 285 G HA2 -0.316 3.644 3.960 0.000 0.000 0.222 285 G HA3 -0.316 3.644 3.960 0.000 0.000 0.222 285 G C 0.597 175.515 174.900 0.030 0.000 1.358 285 G CA 0.331 45.441 45.100 0.017 0.000 0.880 285 G HN 0.878 nan 8.290 nan 0.000 0.555 286 T N 2.576 117.149 114.554 0.031 0.000 2.748 286 T HA 0.444 4.794 4.350 0.000 0.000 0.304 286 T C -0.024 174.703 174.700 0.046 0.000 1.041 286 T CA 0.230 62.352 62.100 0.036 0.000 1.033 286 T CB 0.837 69.725 68.868 0.034 0.000 0.995 286 T HN 0.341 nan 8.240 nan 0.000 0.536 287 D N 1.566 121.993 120.400 0.046 0.000 2.308 287 D HA 0.210 4.850 4.640 0.000 0.000 0.251 287 D C -0.435 175.904 176.300 0.065 0.000 1.127 287 D CA -0.145 53.889 54.000 0.056 0.000 0.876 287 D CB 0.520 41.346 40.800 0.044 0.000 1.176 287 D HN 0.359 nan 8.370 nan 0.000 0.446 288 N N 2.237 120.995 118.700 0.098 0.000 2.558 288 N HA 0.260 5.000 4.740 0.000 0.000 0.242 288 N C -0.582 175.018 175.510 0.149 0.000 0.979 288 N CA -0.413 52.701 53.050 0.108 0.000 0.931 288 N CB 1.126 39.678 38.487 0.109 0.000 1.122 288 N HN 0.181 nan 8.380 nan 0.000 0.508 289 L N 1.719 123.001 121.223 0.098 0.000 2.331 289 L HA 0.411 4.751 4.340 0.000 0.000 0.278 289 L C 0.233 177.168 176.870 0.108 0.000 1.106 289 L CA -0.029 54.873 54.840 0.103 0.000 0.824 289 L CB 0.786 42.886 42.059 0.068 0.000 1.142 289 L HN 0.467 nan 8.230 nan 0.000 0.443 290 M N 5.981 125.677 119.600 0.160 0.000 1.998 290 M HA 0.400 4.880 4.480 0.000 0.000 0.289 290 M C -2.638 173.745 176.300 0.139 0.000 0.886 290 M CA -1.551 53.816 55.300 0.111 0.000 0.853 290 M CB 1.553 34.265 32.600 0.186 0.000 1.462 290 M HN 0.205 nan 8.290 nan 0.000 0.375 291 P HA 0.275 nan 4.420 nan 0.000 0.274 291 P C -1.409 175.942 177.300 0.085 0.000 1.237 291 P CA 0.070 63.277 63.100 0.178 0.000 0.793 291 P CB 0.538 32.292 31.700 0.091 0.000 0.977 292 F N 1.226 121.192 119.950 0.026 0.000 2.507 292 F HA 0.411 4.938 4.527 0.000 0.000 0.325 292 F C 0.840 176.653 175.800 0.022 0.000 1.116 292 F CA -0.174 57.841 58.000 0.026 0.000 0.930 292 F CB 1.231 40.254 39.000 0.038 0.000 1.146 292 F HN 0.161 nan 8.300 nan 0.000 0.447 293 N N 4.099 122.881 118.700 0.137 0.000 2.588 293 N HA 0.211 4.951 4.740 0.000 0.000 0.298 293 N C -0.932 174.623 175.510 0.076 0.000 1.718 293 N CA -0.028 53.079 53.050 0.095 0.000 0.888 293 N CB 1.024 39.541 38.487 0.051 0.000 1.389 293 N HN 0.436 nan 8.380 nan 0.000 0.491 294 L N 0.882 122.167 121.223 0.103 0.000 2.397 294 L HA 0.417 4.757 4.340 0.000 0.000 0.271 294 L C 0.115 177.032 176.870 0.078 0.000 1.148 294 L CA -0.290 54.596 54.840 0.076 0.000 0.825 294 L CB 1.183 43.296 42.059 0.090 0.000 1.117 294 L HN -0.197 nan 8.230 nan 0.000 0.456 295 V N 4.560 124.511 119.914 0.062 0.000 2.498 295 V HA 0.272 4.392 4.120 0.000 0.000 0.283 295 V C -0.505 175.625 176.094 0.060 0.000 1.015 295 V CA -0.352 61.995 62.300 0.078 0.000 0.867 295 V CB 1.723 33.588 31.823 0.071 0.000 1.025 295 V HN 0.411 nan 8.190 nan 0.000 0.441 296 I N 8.756 129.365 120.570 0.065 0.000 2.297 296 I HA 0.419 4.589 4.170 0.000 0.000 0.291 296 I C -1.834 174.317 176.117 0.057 0.000 1.033 296 I CA -2.078 59.249 61.300 0.046 0.000 1.253 296 I CB 1.490 39.511 38.000 0.034 0.000 1.396 296 I HN 0.385 nan 8.210 nan 0.000 0.476 297 P HA 0.153 nan 4.420 nan 0.000 0.274 297 P C 0.447 177.766 177.300 0.032 0.000 1.246 297 P CA -0.261 62.862 63.100 0.038 0.000 0.795 297 P CB 0.861 32.574 31.700 0.022 0.000 1.006 298 T N 0.785 115.358 114.554 0.033 0.000 2.652 298 T HA -0.157 4.193 4.350 0.000 0.000 0.267 298 T C 1.689 176.395 174.700 0.011 0.000 1.039 298 T CA 2.040 64.155 62.100 0.024 0.000 1.153 298 T CB -1.065 67.819 68.868 0.028 0.000 0.863 298 T HN 0.631 nan 8.240 nan 0.000 0.428 299 N N 1.913 120.620 118.700 0.011 0.000 2.322 299 N HA -0.219 4.521 4.740 0.000 0.000 0.189 299 N C 1.383 176.896 175.510 0.005 0.000 1.012 299 N CA 1.332 54.387 53.050 0.009 0.000 0.880 299 N CB -0.399 38.094 38.487 0.010 0.000 0.967 299 N HN 0.527 nan 8.380 nan 0.000 0.439 300 E N 0.024 120.226 120.200 0.004 0.000 2.358 300 E HA 0.140 4.490 4.350 0.000 0.000 0.195 300 E C 0.215 176.809 176.600 -0.009 0.000 1.010 300 E CA 0.084 56.484 56.400 0.000 0.000 0.856 300 E CB 0.143 29.845 29.700 0.002 0.000 0.795 300 E HN 0.464 nan 8.360 nan 0.000 0.504 301 I N 2.475 123.036 120.570 -0.014 0.000 2.243 301 I HA -0.016 4.154 4.170 0.000 0.000 0.297 301 I C 1.407 177.487 176.117 -0.062 0.000 1.161 301 I CA -0.067 61.212 61.300 -0.036 0.000 1.298 301 I CB 0.599 38.579 38.000 -0.032 0.000 1.475 301 I HN 0.017 nan 8.210 nan 0.000 0.561 302 T N 1.600 116.109 114.554 -0.076 0.000 3.118 302 T HA -0.029 4.321 4.350 0.000 0.000 0.260 302 T C 0.503 175.034 174.700 -0.283 0.000 1.139 302 T CA 0.320 62.362 62.100 -0.096 0.000 1.085 302 T CB -0.102 68.740 68.868 -0.043 0.000 0.934 302 T HN 0.726 nan 8.240 nan 0.000 0.518 303 Q N -0.743 118.844 119.800 -0.356 0.000 2.578 303 Q HA 0.507 4.847 4.340 0.000 0.000 0.284 303 Q C -3.515 172.341 176.000 -0.240 0.000 0.960 303 Q CA -2.294 53.151 55.803 -0.596 0.000 0.809 303 Q CB 0.701 28.692 28.738 -1.244 0.000 1.462 303 Q HN -0.091 nan 8.270 nan 0.000 0.392 304 P HA 0.005 nan 4.420 nan 0.000 0.262 304 P C -0.689 176.638 177.300 0.045 0.000 1.182 304 P CA 0.152 63.260 63.100 0.015 0.000 0.761 304 P CB 0.290 32.084 31.700 0.158 0.000 0.795 305 I N 3.554 124.144 120.570 0.032 0.000 2.337 305 I HA 0.064 4.234 4.170 0.000 0.000 0.291 305 I C 1.353 177.512 176.117 0.069 0.000 1.046 305 I CA 0.470 61.795 61.300 0.042 0.000 1.324 305 I CB 0.385 38.398 38.000 0.021 0.000 1.409 305 I HN 0.337 nan 8.210 nan 0.000 0.494 306 T N 3.408 118.012 114.554 0.084 0.000 3.037 306 T HA 0.087 4.437 4.350 0.000 0.000 0.251 306 T C 0.724 175.442 174.700 0.031 0.000 1.079 306 T CA 0.271 62.427 62.100 0.093 0.000 1.067 306 T CB 0.232 69.186 68.868 0.144 0.000 0.948 306 T HN 0.767 nan 8.240 nan 0.000 0.496 307 S N 0.057 115.764 115.700 0.012 0.000 2.611 307 S HA 0.703 5.173 4.470 0.000 0.000 0.268 307 S C -1.681 172.925 174.600 0.010 0.000 1.156 307 S CA -1.049 57.145 58.200 -0.009 0.000 0.817 307 S CB 1.625 64.823 63.200 -0.003 0.000 1.122 307 S HN 0.230 nan 8.310 nan 0.000 0.466 308 I N 0.991 121.578 120.570 0.029 0.000 2.686 308 I HA 0.706 4.876 4.170 0.000 0.000 0.295 308 I C -1.765 174.419 176.117 0.111 0.000 1.114 308 I CA -0.728 60.618 61.300 0.078 0.000 1.038 308 I CB 1.985 40.039 38.000 0.090 0.000 1.238 308 I HN 1.065 nan 8.210 nan 0.000 0.420 309 K N 6.151 126.575 120.400 0.041 0.000 2.508 309 K HA 0.608 4.928 4.320 0.000 0.000 0.260 309 K C -2.171 174.267 176.600 -0.270 0.000 0.949 309 K CA -0.933 55.258 56.287 -0.161 0.000 0.834 309 K CB 2.498 34.927 32.500 -0.118 0.000 1.365 309 K HN 0.422 nan 8.250 nan 0.000 0.437 310 L N 1.163 121.953 121.223 -0.722 0.000 2.313 310 L HA 0.461 4.801 4.340 0.000 0.000 0.283 310 L C -1.134 175.599 176.870 -0.228 0.000 1.013 310 L CA 0.011 54.573 54.840 -0.463 0.000 0.816 310 L CB 1.656 43.279 42.059 -0.727 0.000 1.236 310 L HN 0.827 nan 8.230 nan 0.000 0.419 311 E N 5.012 125.201 120.200 -0.018 0.000 2.187 311 E HA 0.553 4.903 4.350 0.000 0.000 0.268 311 E C -1.273 175.340 176.600 0.021 0.000 0.896 311 E CA -0.500 55.912 56.400 0.020 0.000 0.766 311 E CB 1.924 31.695 29.700 0.119 0.000 1.142 311 E HN 0.548 nan 8.360 nan 0.000 0.408 312 I N 3.257 123.836 120.570 0.015 0.000 2.418 312 I HA 0.274 4.444 4.170 0.000 0.000 0.287 312 I C -0.749 175.363 176.117 -0.008 0.000 1.008 312 I CA -0.987 60.312 61.300 -0.001 0.000 1.104 312 I CB 1.827 39.852 38.000 0.042 0.000 1.264 312 I HN 0.188 nan 8.210 nan 0.000 0.438 313 V N 5.161 125.062 119.914 -0.021 0.000 2.294 313 V HA 0.264 4.384 4.120 0.000 0.000 0.272 313 V C 0.291 176.397 176.094 0.020 0.000 1.027 313 V CA -0.396 61.908 62.300 0.006 0.000 0.823 313 V CB 0.957 32.784 31.823 0.006 0.000 1.030 313 V HN 0.737 nan 8.190 nan 0.000 0.457 314 T N 3.961 118.571 114.554 0.093 0.000 2.889 314 T HA 0.653 5.003 4.350 0.000 0.000 0.291 314 T C 0.176 174.994 174.700 0.195 0.000 0.995 314 T CA -0.383 61.837 62.100 0.200 0.000 1.092 314 T CB 1.340 70.508 68.868 0.500 0.000 0.954 314 T HN 0.884 nan 8.240 nan 0.000 0.506 315 S N 1.461 117.268 115.700 0.179 0.000 2.565 315 S HA 0.642 5.112 4.470 0.000 0.000 0.269 315 S C -1.451 173.267 174.600 0.198 0.000 1.153 315 S CA -1.203 57.108 58.200 0.185 0.000 0.835 315 S CB 1.953 65.229 63.200 0.126 0.000 1.122 315 S HN 0.654 nan 8.310 nan 0.000 0.462 316 K N 0.213 120.772 120.400 0.264 0.000 2.259 316 K HA 0.591 4.911 4.320 0.000 0.000 0.249 316 K C 0.745 177.420 176.600 0.124 0.000 0.942 316 K CA -0.706 55.684 56.287 0.173 0.000 0.816 316 K CB 1.702 34.283 32.500 0.135 0.000 1.155 316 K HN 0.627 nan 8.250 nan 0.000 0.428 317 S N 1.072 116.809 115.700 0.062 0.000 2.370 317 S HA -0.144 4.326 4.470 0.000 0.000 0.226 317 S C 1.215 175.809 174.600 -0.011 0.000 1.033 317 S CA 1.579 59.799 58.200 0.034 0.000 1.011 317 S CB -0.037 63.177 63.200 0.024 0.000 0.852 317 S HN 0.845 nan 8.310 nan 0.000 0.457 318 G N -0.044 108.708 108.800 -0.080 0.000 2.606 318 G HA2 0.490 4.450 3.960 0.000 0.000 0.213 318 G HA3 0.490 4.450 3.960 0.000 0.000 0.213 318 G C 0.445 175.095 174.900 -0.416 0.000 2.020 318 G CA 0.217 45.222 45.100 -0.158 0.000 0.814 318 G HN 1.038 nan 8.290 nan 0.000 0.685 319 G N -0.952 107.540 108.800 -0.513 0.000 2.854 319 G HA2 -0.019 3.941 3.960 0.000 0.000 0.686 319 G HA3 -0.019 3.941 3.960 0.000 0.000 0.686 319 G C -0.069 174.369 174.900 -0.771 0.000 1.202 319 G CA 0.412 44.930 45.100 -0.970 0.000 0.878 319 G HN 0.605 nan 8.290 nan 0.000 0.583 320 Q N 0.784 120.365 119.800 -0.364 0.000 2.784 320 Q HA 0.627 4.967 4.340 0.000 0.000 0.207 320 Q C 2.132 178.197 176.000 0.109 0.000 1.021 320 Q CA 0.299 56.060 55.803 -0.069 0.000 0.417 320 Q CB 0.209 28.919 28.738 -0.048 0.000 4.567 320 Q HN 1.299 nan 8.270 nan 0.000 0.306 321 A N 0.101 122.961 122.820 0.067 0.000 2.419 321 A HA 0.378 4.698 4.320 0.000 0.000 0.233 321 A C 0.683 178.303 177.584 0.059 0.000 1.217 321 A CA 0.548 52.637 52.037 0.086 0.000 0.944 321 A CB 0.487 19.515 19.000 0.048 0.000 1.025 321 A HN 0.319 nan 8.150 nan 0.000 0.524 322 G N -0.400 108.412 108.800 0.021 0.000 2.475 322 G HA2 0.487 4.447 3.960 0.000 0.000 0.322 322 G HA3 0.487 4.447 3.960 0.000 0.000 0.322 322 G C -0.434 174.459 174.900 -0.011 0.000 1.044 322 G CA 0.113 45.213 45.100 -0.001 0.000 1.047 322 G HN 0.120 nan 8.290 nan 0.000 0.436 323 D N 0.329 120.746 120.400 0.029 0.000 2.151 323 D HA -0.023 4.617 4.640 0.000 0.000 0.260 323 D C 0.957 177.276 176.300 0.032 0.000 1.358 323 D CA -0.237 53.793 54.000 0.049 0.000 1.309 323 D CB -0.276 40.623 40.800 0.164 0.000 2.149 323 D HN 0.395 nan 8.370 nan 0.000 0.379 324 Q N 1.068 120.878 119.800 0.015 0.000 2.423 324 Q HA -0.215 4.125 4.340 0.000 0.000 0.332 324 Q C -0.821 175.137 176.000 -0.069 0.000 1.355 324 Q CA 0.115 55.889 55.803 -0.049 0.000 0.947 324 Q CB -1.072 27.637 28.738 -0.049 0.000 1.189 324 Q HN 0.415 nan 8.270 nan 0.000 0.418 325 M N 1.009 120.588 119.600 -0.036 0.000 2.261 325 M HA 0.041 4.521 4.480 0.000 0.000 0.350 325 M C 0.373 176.570 176.300 -0.170 0.000 1.343 325 M CA 1.011 56.312 55.300 0.002 0.000 1.003 325 M CB 0.530 33.205 32.600 0.126 0.000 1.848 325 M HN 0.414 nan 8.290 nan 0.000 0.456 326 S N 3.562 119.225 115.700 -0.060 0.000 2.535 326 S HA 0.818 5.288 4.470 0.000 0.000 0.272 326 S C -1.483 173.194 174.600 0.128 0.000 1.149 326 S CA -1.093 57.003 58.200 -0.174 0.000 0.888 326 S CB 1.723 64.802 63.200 -0.201 0.000 1.110 326 S HN 0.998 nan 8.310 nan 0.000 0.463 327 W N 0.218 121.657 121.300 0.231 0.000 2.988 327 W HA 0.788 5.448 4.660 0.000 0.000 0.355 327 W C -1.408 175.245 176.519 0.223 0.000 1.233 327 W CA -0.823 56.669 57.345 0.246 0.000 1.176 327 W CB 1.056 30.718 29.460 0.337 0.000 1.477 327 W HN 0.919 nan 8.180 nan 0.000 0.582 328 S N 0.828 117.018 115.700 0.816 0.000 2.538 328 S HA 0.794 5.264 4.470 0.000 0.000 0.288 328 S C -1.243 173.645 174.600 0.481 0.000 1.108 328 S CA -0.236 58.306 58.200 0.570 0.000 0.971 328 S CB 1.275 64.624 63.200 0.250 0.000 1.041 328 S HN 1.021 nan 8.310 nan 0.000 0.483 329 A N 4.472 127.512 122.820 0.368 0.000 2.393 329 A HA 0.903 5.223 4.320 0.000 0.000 0.306 329 A C -0.625 176.922 177.584 -0.061 0.000 1.050 329 A CA -0.773 51.149 52.037 -0.191 0.000 0.724 329 A CB 1.465 20.104 19.000 -0.602 0.000 1.248 329 A HN 0.707 nan 8.150 nan 0.000 0.424 330 R N 0.373 120.767 120.500 -0.176 0.000 2.854 330 R HA 0.830 5.170 4.340 0.000 0.000 0.271 330 R C -0.315 175.911 176.300 -0.124 0.000 0.994 330 R CA 0.339 56.392 56.100 -0.078 0.000 0.945 330 R CB 2.088 32.363 30.300 -0.041 0.000 1.194 330 R HN 2.055 nan 8.270 nan 0.000 0.476 331 G N 0.455 109.207 108.800 -0.080 0.000 2.316 331 G HA2 0.077 4.037 3.960 0.000 0.000 0.468 331 G HA3 0.077 4.037 3.960 0.000 0.000 0.468 331 G C -1.604 173.232 174.900 -0.106 0.000 1.523 331 G CA -0.387 44.660 45.100 -0.088 0.000 0.972 331 G HN 0.683 nan 8.290 nan 0.000 0.667 332 S N -0.135 115.489 115.700 -0.128 0.000 2.549 332 S HA 0.881 5.351 4.470 0.000 0.000 0.280 332 S C -0.233 174.232 174.600 -0.225 0.000 1.109 332 S CA -1.009 57.087 58.200 -0.173 0.000 0.905 332 S CB 2.178 65.297 63.200 -0.134 0.000 1.081 332 S HN 0.942 nan 8.310 nan 0.000 0.477 333 L N 0.685 121.738 121.223 -0.284 0.000 2.335 333 L HA 0.946 5.286 4.340 0.000 0.000 0.268 333 L C -0.118 176.648 176.870 -0.174 0.000 1.016 333 L CA -1.310 53.347 54.840 -0.306 0.000 0.805 333 L CB 1.479 43.300 42.059 -0.396 0.000 1.311 333 L HN 0.922 nan 8.230 nan 0.000 0.456 334 A N 0.745 123.496 122.820 -0.116 0.000 2.569 334 A HA 0.611 4.931 4.320 0.000 0.000 0.282 334 A C -0.944 176.636 177.584 -0.006 0.000 1.165 334 A CA -0.398 51.611 52.037 -0.046 0.000 0.747 334 A CB 0.966 19.945 19.000 -0.033 0.000 1.215 334 A HN 0.310 nan 8.150 nan 0.000 0.431 335 V N 2.076 122.010 119.914 0.034 0.000 2.461 335 V HA 0.481 4.601 4.120 0.000 0.000 0.275 335 V C 0.359 176.498 176.094 0.076 0.000 1.047 335 V CA 0.103 62.442 62.300 0.065 0.000 0.955 335 V CB 1.275 33.151 31.823 0.090 0.000 0.988 335 V HN 0.797 nan 8.190 nan 0.000 0.471 336 T N 6.528 121.078 114.554 -0.007 0.000 2.833 336 T HA 0.499 4.849 4.350 0.000 0.000 0.297 336 T C -0.110 174.439 174.700 -0.252 0.000 1.015 336 T CA -0.185 61.859 62.100 -0.093 0.000 0.963 336 T CB 0.479 69.284 68.868 -0.106 0.000 0.955 336 T HN 0.608 nan 8.240 nan 0.000 0.449 337 I N 1.385 121.864 120.570 -0.151 0.000 2.291 337 I HA 0.429 4.599 4.170 0.000 0.000 0.290 337 I C 0.049 176.066 176.117 -0.168 0.000 1.050 337 I CA -0.991 60.208 61.300 -0.169 0.000 1.245 337 I CB 0.404 38.416 38.000 0.021 0.000 1.405 337 I HN 0.510 nan 8.210 nan 0.000 0.478 338 H N 5.360 124.457 119.070 0.044 0.000 3.125 338 H HA 0.020 4.576 4.556 0.000 0.000 0.310 338 H C 1.469 176.813 175.328 0.027 0.000 0.980 338 H CA 1.095 57.161 56.048 0.030 0.000 1.422 338 H CB 0.589 30.364 29.762 0.021 0.000 1.432 338 H HN 1.066 nan 8.280 nan 0.000 0.577 339 G N 2.637 111.518 108.800 0.135 0.000 2.187 339 G HA2 -0.335 3.625 3.960 0.000 0.000 0.261 339 G HA3 -0.335 3.625 3.960 0.000 0.000 0.261 339 G C 1.493 176.449 174.900 0.093 0.000 1.000 339 G CA 0.770 45.925 45.100 0.090 0.000 0.718 339 G HN 0.888 nan 8.290 nan 0.000 0.519 340 G N 0.086 108.928 108.800 0.070 0.000 2.432 340 G HA2 -0.159 3.801 3.960 0.000 0.000 0.219 340 G HA3 -0.159 3.801 3.960 0.000 0.000 0.219 340 G C 1.323 176.257 174.900 0.058 0.000 1.135 340 G CA 1.193 46.330 45.100 0.061 0.000 0.767 340 G HN 0.504 nan 8.290 nan 0.000 0.550 341 N N -0.691 118.035 118.700 0.043 0.000 2.398 341 N HA 0.051 4.791 4.740 0.000 0.000 0.188 341 N C -0.331 175.211 175.510 0.054 0.000 1.122 341 N CA -0.389 52.673 53.050 0.020 0.000 0.866 341 N CB -0.044 38.430 38.487 -0.023 0.000 0.970 341 N HN 0.424 nan 8.380 nan 0.000 0.462 342 Y N 4.102 124.389 120.300 -0.023 0.000 2.569 342 Y HA 0.112 4.662 4.550 0.000 0.000 0.332 342 Y C -1.931 173.948 175.900 -0.034 0.000 1.120 342 Y CA -2.005 56.077 58.100 -0.029 0.000 1.416 342 Y CB 0.428 38.867 38.460 -0.035 0.000 1.210 342 Y HN 0.052 nan 8.280 nan 0.000 0.528 343 P HA 0.014 nan 4.420 nan 0.000 0.264 343 P C 0.708 177.968 177.300 -0.067 0.000 1.183 343 P CA 1.682 64.661 63.100 -0.202 0.000 0.763 343 P CB 0.764 32.292 31.700 -0.287 0.000 0.807 344 G N 2.649 111.469 108.800 0.034 0.000 2.225 344 G HA2 -0.358 3.602 3.960 0.000 0.000 0.254 344 G HA3 -0.358 3.602 3.960 0.000 0.000 0.254 344 G C 1.118 176.146 174.900 0.213 0.000 0.988 344 G CA 0.537 45.712 45.100 0.125 0.000 0.625 344 G HN 0.721 nan 8.290 nan 0.000 0.527 345 A N -0.619 122.316 122.820 0.191 0.000 1.968 345 A HA 0.588 4.908 4.320 0.000 0.000 0.217 345 A C 2.154 179.887 177.584 0.248 0.000 1.169 345 A CA 1.954 54.093 52.037 0.170 0.000 0.638 345 A CB -0.116 18.963 19.000 0.133 0.000 0.812 345 A HN 1.022 nan 8.150 nan 0.000 0.446 346 L N -3.845 117.496 121.223 0.198 0.000 3.503 346 L HA 0.157 4.497 4.340 0.000 0.000 0.327 346 L C 1.928 178.913 176.870 0.192 0.000 1.108 346 L CA 0.115 55.069 54.840 0.190 0.000 1.214 346 L CB 0.018 42.159 42.059 0.136 0.000 1.806 346 L HN 0.248 nan 8.230 nan 0.000 0.610 347 R N 2.354 122.930 120.500 0.126 0.000 2.148 347 R HA -0.055 4.285 4.340 0.000 0.000 0.230 347 R C -1.772 174.551 176.300 0.040 0.000 1.120 347 R CA 1.761 57.892 56.100 0.052 0.000 0.902 347 R CB -1.202 29.097 30.300 -0.002 0.000 0.839 347 R HN 0.108 nan 8.270 nan 0.000 0.431 348 P HA 0.213 nan 4.420 nan 0.000 0.300 348 P C -1.381 176.001 177.300 0.137 0.000 1.326 348 P CA -0.217 62.913 63.100 0.050 0.000 0.844 348 P CB 2.068 33.779 31.700 0.019 0.000 0.992 349 V N 3.372 123.369 119.914 0.138 0.000 2.555 349 V HA 0.436 4.556 4.120 0.000 0.000 0.302 349 V C 0.421 176.563 176.094 0.080 0.000 1.038 349 V CA -0.236 62.125 62.300 0.102 0.000 0.887 349 V CB 1.942 33.836 31.823 0.119 0.000 0.991 349 V HN 0.495 nan 8.190 nan 0.000 0.434 350 T N 5.943 120.519 114.554 0.037 0.000 2.772 350 T HA 0.612 4.962 4.350 0.000 0.000 0.288 350 T C -0.592 174.142 174.700 0.057 0.000 0.994 350 T CA -0.258 61.889 62.100 0.078 0.000 0.951 350 T CB 0.781 69.721 68.868 0.119 0.000 0.933 350 T HN 0.244 nan 8.240 nan 0.000 0.447 351 L N 4.135 125.363 121.223 0.007 0.000 2.295 351 L HA 0.570 4.910 4.340 0.000 0.000 0.285 351 L C -0.280 176.600 176.870 0.016 0.000 1.035 351 L CA -0.412 54.396 54.840 -0.053 0.000 0.806 351 L CB 1.704 43.697 42.059 -0.109 0.000 1.214 351 L HN 0.370 nan 8.230 nan 0.000 0.426 352 V N 3.366 123.298 119.914 0.030 0.000 2.325 352 V HA 0.705 4.825 4.120 0.000 0.000 0.280 352 V C 0.094 176.271 176.094 0.138 0.000 1.016 352 V CA -0.699 61.670 62.300 0.115 0.000 0.818 352 V CB 1.190 33.149 31.823 0.226 0.000 1.019 352 V HN 0.833 nan 8.190 nan 0.000 0.434 353 A N 5.432 128.326 122.820 0.122 0.000 2.305 353 A HA 0.917 5.237 4.320 0.000 0.000 0.322 353 A C -0.847 176.969 177.584 0.387 0.000 1.187 353 A CA -0.417 51.726 52.037 0.178 0.000 0.825 353 A CB 0.766 19.850 19.000 0.140 0.000 1.164 353 A HN 1.003 nan 8.150 nan 0.000 0.498 354 Y N -0.193 120.301 120.300 0.323 0.000 2.536 354 Y HA 0.789 5.339 4.550 0.000 0.000 0.347 354 Y C -0.434 175.530 175.900 0.108 0.000 1.000 354 Y CA -0.955 57.305 58.100 0.267 0.000 1.051 354 Y CB 1.370 39.922 38.460 0.154 0.000 1.259 354 Y HN 0.875 nan 8.280 nan 0.000 0.468 355 E N 0.864 121.096 120.200 0.053 0.000 2.430 355 E HA 0.575 4.925 4.350 0.000 0.000 0.279 355 E C -0.509 176.047 176.600 -0.073 0.000 1.003 355 E CA -1.230 55.073 56.400 -0.161 0.000 0.801 355 E CB 1.517 30.872 29.700 -0.575 0.000 1.313 355 E HN 0.587 nan 8.360 nan 0.000 0.459 356 R N -0.970 119.497 120.500 -0.056 0.000 3.954 356 R HA -0.104 4.236 4.340 0.000 0.000 0.422 356 R C -0.378 175.944 176.300 0.037 0.000 1.091 356 R CA 0.907 56.994 56.100 -0.022 0.000 1.168 356 R CB -2.754 27.517 30.300 -0.048 0.000 1.752 356 R HN 0.478 nan 8.270 nan 0.000 0.547 357 V N 1.733 121.705 119.914 0.096 0.000 2.614 357 V HA 0.380 4.500 4.120 0.000 0.000 0.291 357 V C 1.466 177.606 176.094 0.076 0.000 1.049 357 V CA 0.042 62.401 62.300 0.097 0.000 1.038 357 V CB 1.456 33.359 31.823 0.133 0.000 0.980 357 V HN 0.367 nan 8.190 nan 0.000 0.481 358 A N 4.129 126.980 122.820 0.052 0.000 2.561 358 A HA 0.206 4.526 4.320 0.000 0.000 0.251 358 A C 0.842 178.455 177.584 0.047 0.000 1.062 358 A CA 0.150 52.215 52.037 0.045 0.000 0.761 358 A CB -0.542 18.481 19.000 0.039 0.000 0.986 358 A HN 0.890 nan 8.150 nan 0.000 0.510 359 T N 2.362 116.944 114.554 0.047 0.000 2.908 359 T HA 0.403 4.753 4.350 0.000 0.000 0.301 359 T C 1.643 176.364 174.700 0.036 0.000 1.019 359 T CA 1.447 63.576 62.100 0.048 0.000 1.152 359 T CB 0.509 69.400 68.868 0.038 0.000 0.966 359 T HN 2.032 nan 8.240 nan 0.000 0.540 360 G N 2.844 111.667 108.800 0.039 0.000 2.241 360 G HA2 -0.305 3.655 3.960 0.000 0.000 0.244 360 G HA3 -0.305 3.655 3.960 0.000 0.000 0.244 360 G C 0.468 175.377 174.900 0.015 0.000 0.998 360 G CA 0.153 45.268 45.100 0.025 0.000 0.621 360 G HN 1.180 nan 8.290 nan 0.000 0.519 361 S N -0.301 115.406 115.700 0.012 0.000 2.593 361 S HA 0.629 5.099 4.470 0.000 0.000 0.269 361 S C 0.339 174.926 174.600 -0.022 0.000 1.334 361 S CA -0.058 58.138 58.200 -0.005 0.000 1.015 361 S CB 2.238 65.434 63.200 -0.006 0.000 0.912 361 S HN 1.076 nan 8.310 nan 0.000 0.541 362 V N 1.645 121.538 119.914 -0.034 0.000 2.481 362 V HA 0.395 4.515 4.120 0.000 0.000 0.286 362 V C -0.178 175.860 176.094 -0.092 0.000 1.042 362 V CA -0.773 61.497 62.300 -0.050 0.000 0.928 362 V CB 1.439 33.244 31.823 -0.030 0.000 0.986 362 V HN 0.777 nan 8.190 nan 0.000 0.462 363 V N 3.993 123.821 119.914 -0.144 0.000 2.313 363 V HA 0.301 4.421 4.120 0.000 0.000 0.278 363 V C 0.326 176.347 176.094 -0.123 0.000 1.017 363 V CA -0.267 61.911 62.300 -0.204 0.000 0.823 363 V CB 1.673 33.242 31.823 -0.423 0.000 1.010 363 V HN 1.005 nan 8.190 nan 0.000 0.443 364 T N 5.028 119.543 114.554 -0.065 0.000 2.817 364 T HA 0.524 4.874 4.350 0.000 0.000 0.293 364 T C -0.127 174.585 174.700 0.020 0.000 0.964 364 T CA -0.240 61.853 62.100 -0.012 0.000 1.085 364 T CB 1.451 70.317 68.868 -0.004 0.000 0.921 364 T HN 0.324 nan 8.240 nan 0.000 0.502 365 V N 2.255 122.216 119.914 0.078 0.000 2.495 365 V HA 0.850 4.970 4.120 0.000 0.000 0.298 365 V C -0.145 176.030 176.094 0.135 0.000 1.031 365 V CA -0.821 61.559 62.300 0.132 0.000 0.871 365 V CB 1.487 33.436 31.823 0.210 0.000 0.988 365 V HN 1.114 nan 8.190 nan 0.000 0.432 366 A N 3.167 126.039 122.820 0.088 0.000 2.488 366 A HA 0.989 5.309 4.320 0.000 0.000 0.295 366 A C -0.260 177.338 177.584 0.023 0.000 1.045 366 A CA 0.114 52.186 52.037 0.059 0.000 0.703 366 A CB 1.957 20.974 19.000 0.028 0.000 1.271 366 A HN 1.391 nan 8.150 nan 0.000 0.400 367 G N -0.563 108.254 108.800 0.029 0.000 2.606 367 G HA2 0.669 4.629 3.960 0.000 0.000 0.300 367 G HA3 0.669 4.629 3.960 0.000 0.000 0.300 367 G C -1.860 173.045 174.900 0.008 0.000 1.360 367 G CA -0.290 44.803 45.100 -0.011 0.000 0.783 367 G HN 1.367 nan 8.290 nan 0.000 0.484 368 V N -0.066 119.836 119.914 -0.020 0.000 2.841 368 V HA 0.744 4.864 4.120 0.000 0.000 0.310 368 V C -0.424 175.636 176.094 -0.057 0.000 1.090 368 V CA -0.768 61.525 62.300 -0.012 0.000 0.930 368 V CB 2.022 33.832 31.823 -0.022 0.000 1.014 368 V HN 0.817 nan 8.190 nan 0.000 0.425 369 S N 3.622 119.285 115.700 -0.061 0.000 2.532 369 S HA 0.586 5.056 4.470 0.000 0.000 0.299 369 S C -0.785 173.542 174.600 -0.455 0.000 1.105 369 S CA -0.832 57.202 58.200 -0.277 0.000 1.018 369 S CB 1.263 64.365 63.200 -0.164 0.000 1.021 369 S HN 0.751 nan 8.310 nan 0.000 0.483 370 N N 1.956 120.294 118.700 -0.603 0.000 2.362 370 N HA 0.663 5.403 4.740 0.000 0.000 0.298 370 N C -1.343 173.800 175.510 -0.612 0.000 1.048 370 N CA -0.234 52.575 53.050 -0.402 0.000 0.858 370 N CB 1.283 39.674 38.487 -0.160 0.000 1.218 370 N HN 0.397 nan 8.380 nan 0.000 0.488 371 F N -0.288 119.669 119.950 0.011 0.000 2.650 371 F HA 0.420 4.947 4.527 0.000 0.000 0.320 371 F C 0.383 176.179 175.800 -0.005 0.000 1.091 371 F CA -0.910 57.080 58.000 -0.017 0.000 0.962 371 F CB 1.593 40.555 39.000 -0.063 0.000 1.363 371 F HN 0.121 nan 8.300 nan 0.000 0.482 372 E N 1.877 122.188 120.200 0.186 0.000 2.158 372 E HA 0.684 5.034 4.350 0.000 0.000 0.271 372 E C -1.366 175.351 176.600 0.195 0.000 0.911 372 E CA -0.551 55.945 56.400 0.159 0.000 0.767 372 E CB 2.256 31.880 29.700 -0.126 0.000 1.120 372 E HN 0.402 nan 8.360 nan 0.000 0.405 373 L N 2.923 124.290 121.223 0.241 0.000 2.350 373 L HA 0.614 4.954 4.340 0.000 0.000 0.260 373 L C -0.606 176.447 176.870 0.305 0.000 1.015 373 L CA -0.914 54.020 54.840 0.156 0.000 0.821 373 L CB 1.985 43.803 42.059 -0.402 0.000 1.370 373 L HN 0.426 nan 8.230 nan 0.000 0.416 374 I N 2.108 122.892 120.570 0.356 0.000 2.418 374 I HA 0.358 4.528 4.170 0.000 0.000 0.287 374 I C -2.352 173.999 176.117 0.389 0.000 1.008 374 I CA -1.942 59.541 61.300 0.305 0.000 1.104 374 I CB 2.261 40.398 38.000 0.229 0.000 1.264 374 I HN 0.228 nan 8.210 nan 0.000 0.438 375 P HA 0.040 nan 4.420 nan 0.000 0.270 375 P C -1.137 176.180 177.300 0.028 0.000 1.223 375 P CA -0.293 62.868 63.100 0.103 0.000 0.785 375 P CB 0.310 32.031 31.700 0.034 0.000 0.923 376 N N 1.900 120.551 118.700 -0.082 0.000 2.445 376 N HA 0.174 4.914 4.740 0.000 0.000 0.264 376 N C -2.058 173.427 175.510 -0.041 0.000 1.227 376 N CA -1.913 51.107 53.050 -0.049 0.000 0.963 376 N CB -1.200 37.236 38.487 -0.084 0.000 1.188 376 N HN 0.147 nan 8.380 nan 0.000 0.491 377 P HA -0.250 nan 4.420 nan 0.000 0.219 377 P C 0.905 178.187 177.300 -0.030 0.000 1.153 377 P CA 1.682 64.771 63.100 -0.019 0.000 0.865 377 P CB 0.226 31.916 31.700 -0.015 0.000 0.788 378 E N -1.141 119.032 120.200 -0.044 0.000 2.051 378 E HA -0.097 4.253 4.350 0.000 0.000 0.189 378 E C 1.720 178.286 176.600 -0.056 0.000 0.979 378 E CA 0.630 57.002 56.400 -0.047 0.000 0.803 378 E CB -1.107 28.562 29.700 -0.051 0.000 0.761 378 E HN 0.032 nan 8.360 nan 0.000 0.451 379 L N 0.187 121.358 121.223 -0.086 0.000 2.217 379 L HA 0.134 4.474 4.340 0.000 0.000 0.211 379 L C 1.909 178.745 176.870 -0.056 0.000 1.107 379 L CA 1.731 56.512 54.840 -0.099 0.000 0.783 379 L CB -0.730 41.208 42.059 -0.203 0.000 0.919 379 L HN 0.138 nan 8.230 nan 0.000 0.442 380 A N -0.769 122.026 122.820 -0.041 0.000 2.178 380 A HA -0.189 4.131 4.320 0.000 0.000 0.218 380 A C 2.150 179.727 177.584 -0.013 0.000 1.157 380 A CA 1.487 53.515 52.037 -0.014 0.000 0.689 380 A CB -0.553 18.443 19.000 -0.007 0.000 0.787 380 A HN 0.559 nan 8.150 nan 0.000 0.465 381 K N -0.614 119.775 120.400 -0.018 0.000 2.418 381 K HA 0.063 4.383 4.320 0.000 0.000 0.195 381 K C 0.474 177.068 176.600 -0.010 0.000 1.035 381 K CA 0.689 56.968 56.287 -0.013 0.000 1.003 381 K CB 0.137 32.627 32.500 -0.015 0.000 0.793 381 K HN 0.400 nan 8.250 nan 0.000 0.494 382 N N -0.285 118.409 118.700 -0.010 0.000 2.168 382 N HA 0.034 4.774 4.740 0.000 0.000 0.216 382 N C -0.649 174.864 175.510 0.005 0.000 1.259 382 N CA -0.061 52.987 53.050 -0.004 0.000 0.902 382 N CB 1.024 39.507 38.487 -0.006 0.000 1.079 382 N HN -0.000 nan 8.380 nan 0.000 0.507 383 L N 2.769 123.997 121.223 0.008 0.000 2.265 383 L HA 0.432 4.772 4.340 0.000 0.000 0.289 383 L C -0.354 176.527 176.870 0.019 0.000 1.033 383 L CA -0.422 54.434 54.840 0.027 0.000 0.814 383 L CB 1.314 43.403 42.059 0.050 0.000 1.203 383 L HN -0.270 nan 8.230 nan 0.000 0.423 384 V N 3.656 123.577 119.914 0.012 0.000 2.607 384 V HA 0.521 4.641 4.120 0.000 0.000 0.289 384 V C 0.646 176.727 176.094 -0.022 0.000 1.053 384 V CA -0.509 61.786 62.300 -0.007 0.000 0.996 384 V CB 1.615 33.432 31.823 -0.009 0.000 0.995 384 V HN 0.899 nan 8.190 nan 0.000 0.476 385 T N 1.526 116.048 114.554 -0.053 0.000 2.912 385 T HA 0.840 5.190 4.350 0.000 0.000 0.288 385 T C -0.781 173.822 174.700 -0.162 0.000 1.030 385 T CA -0.828 61.209 62.100 -0.105 0.000 1.020 385 T CB 2.350 71.158 68.868 -0.099 0.000 1.056 385 T HN 0.711 nan 8.240 nan 0.000 0.480 386 E N -0.047 120.004 120.200 -0.249 0.000 2.412 386 E HA 0.386 4.736 4.350 0.000 0.000 0.279 386 E C -1.330 175.107 176.600 -0.272 0.000 0.984 386 E CA -0.943 55.326 56.400 -0.217 0.000 0.788 386 E CB 1.725 31.368 29.700 -0.095 0.000 1.277 386 E HN 0.637 nan 8.360 nan 0.000 0.455 387 Y N 0.332 120.617 120.300 -0.024 0.000 2.357 387 Y HA 0.308 4.858 4.550 0.000 0.000 0.340 387 Y C 1.399 177.353 175.900 0.091 0.000 1.260 387 Y CA 0.295 58.441 58.100 0.077 0.000 1.425 387 Y CB 0.466 38.967 38.460 0.067 0.000 1.326 387 Y HN 0.600 nan 8.280 nan 0.000 0.580 388 G N 1.368 110.421 108.800 0.422 0.000 2.559 388 G HA2 0.063 4.023 3.960 0.000 0.000 0.235 388 G HA3 0.063 4.023 3.960 0.000 0.000 0.235 388 G C -0.291 174.740 174.900 0.219 0.000 1.266 388 G CA -0.676 44.617 45.100 0.323 0.000 0.847 388 G HN 0.690 nan 8.290 nan 0.000 0.583 389 R N 0.489 121.086 120.500 0.162 0.000 2.590 389 R HA 0.156 4.496 4.340 0.000 0.000 0.274 389 R C -0.747 175.655 176.300 0.169 0.000 1.061 389 R CA -0.464 55.720 56.100 0.139 0.000 1.081 389 R CB 0.201 30.552 30.300 0.085 0.000 0.984 389 R HN 0.331 nan 8.270 nan 0.000 0.448 390 F N 5.736 125.705 119.950 0.032 0.000 2.405 390 F HA 0.243 4.770 4.527 0.000 0.000 0.355 390 F C -0.864 174.942 175.800 0.009 0.000 1.121 390 F CA -1.029 56.980 58.000 0.015 0.000 1.112 390 F CB 0.812 39.815 39.000 0.004 0.000 1.126 390 F HN 0.586 nan 8.300 nan 0.000 0.481 391 D N 7.756 127.691 120.400 -0.775 0.000 2.602 391 D HA 0.291 4.931 4.640 0.000 0.000 0.245 391 D C -3.219 172.616 176.300 -0.775 0.000 1.325 391 D CA -1.732 51.843 54.000 -0.707 0.000 0.952 391 D CB 1.726 42.352 40.800 -0.289 0.000 1.317 391 D HN 0.205 nan 8.370 nan 0.000 0.577 392 P HA 0.193 nan 4.420 nan 0.000 0.267 392 P C 1.223 178.411 177.300 -0.186 0.000 1.201 392 P CA 0.863 63.709 63.100 -0.423 0.000 0.775 392 P CB 0.475 32.043 31.700 -0.220 0.000 0.854 393 G N 1.025 109.788 108.800 -0.062 0.000 2.186 393 G HA2 -0.355 3.605 3.960 0.000 0.000 0.266 393 G HA3 -0.355 3.605 3.960 0.000 0.000 0.266 393 G C 1.185 176.100 174.900 0.026 0.000 0.982 393 G CA 0.749 45.850 45.100 0.001 0.000 0.670 393 G HN 0.732 nan 8.290 nan 0.000 0.533 394 A N -0.936 121.867 122.820 -0.028 0.000 1.877 394 A HA 0.176 4.496 4.320 0.000 0.000 0.216 394 A C 2.260 179.884 177.584 0.067 0.000 1.186 394 A CA 2.554 54.603 52.037 0.019 0.000 0.620 394 A CB -0.331 18.646 19.000 -0.039 0.000 0.822 394 A HN 0.941 nan 8.150 nan 0.000 0.443 395 M N 0.772 120.370 119.600 -0.002 0.000 2.077 395 M HA -0.111 4.369 4.480 0.000 0.000 0.261 395 M C 1.685 178.019 176.300 0.057 0.000 1.070 395 M CA 1.760 57.048 55.300 -0.020 0.000 1.125 395 M CB -0.870 31.697 32.600 -0.056 0.000 1.339 395 M HN 0.476 nan 8.290 nan 0.000 0.409 396 N N -0.968 117.776 118.700 0.073 0.000 2.061 396 N HA -0.255 4.485 4.740 0.000 0.000 0.193 396 N C 1.849 177.431 175.510 0.120 0.000 1.030 396 N CA 1.963 55.066 53.050 0.089 0.000 0.856 396 N CB -0.703 37.839 38.487 0.092 0.000 1.023 396 N HN 0.448 nan 8.380 nan 0.000 0.424 397 Y N 2.250 122.577 120.300 0.044 0.000 2.181 397 Y HA -0.185 4.365 4.550 0.000 0.000 0.288 397 Y C 2.573 178.527 175.900 0.090 0.000 1.146 397 Y CA 1.439 59.577 58.100 0.064 0.000 1.164 397 Y CB -0.608 37.884 38.460 0.054 0.000 0.982 397 Y HN 0.013 nan 8.280 nan 0.000 0.515 398 T N 0.335 114.979 114.554 0.151 0.000 2.622 398 T HA -0.212 4.138 4.350 0.000 0.000 0.266 398 T C 1.848 176.594 174.700 0.076 0.000 1.047 398 T CA 1.985 64.170 62.100 0.142 0.000 1.159 398 T CB -0.217 68.784 68.868 0.222 0.000 0.863 398 T HN 0.283 nan 8.240 nan 0.000 0.422 399 K N 0.567 121.012 120.400 0.075 0.000 2.044 399 K HA -0.120 4.200 4.320 0.000 0.000 0.210 399 K C 2.269 178.874 176.600 0.008 0.000 1.049 399 K CA 1.249 57.572 56.287 0.059 0.000 0.927 399 K CB -0.563 31.969 32.500 0.054 0.000 0.713 399 K HN 0.148 nan 8.250 nan 0.000 0.443 400 L N 1.653 122.852 121.223 -0.040 0.000 1.989 400 L HA -0.223 4.117 4.340 0.000 0.000 0.211 400 L C 2.058 178.860 176.870 -0.113 0.000 1.071 400 L CA 1.653 56.440 54.840 -0.089 0.000 0.749 400 L CB -0.447 41.515 42.059 -0.162 0.000 0.890 400 L HN 0.110 nan 8.230 nan 0.000 0.431 401 I N -0.340 120.115 120.570 -0.192 0.000 2.091 401 I HA -0.345 3.825 4.170 0.000 0.000 0.239 401 I C 2.655 178.773 176.117 0.001 0.000 1.061 401 I CA 1.830 63.067 61.300 -0.104 0.000 1.317 401 I CB -1.431 36.517 38.000 -0.087 0.000 1.031 401 I HN 0.344 nan 8.210 nan 0.000 0.401 402 L N 0.247 121.487 121.223 0.027 0.000 2.042 402 L HA -0.253 4.087 4.340 0.000 0.000 0.210 402 L C 2.835 179.719 176.870 0.023 0.000 1.076 402 L CA 1.727 56.595 54.840 0.046 0.000 0.749 402 L CB -0.724 41.381 42.059 0.077 0.000 0.893 402 L HN 0.326 nan 8.230 nan 0.000 0.432 403 S N 0.284 115.993 115.700 0.014 0.000 2.359 403 S HA -0.255 4.215 4.470 0.000 0.000 0.223 403 S C 1.536 176.138 174.600 0.004 0.000 1.039 403 S CA 1.703 59.907 58.200 0.006 0.000 1.042 403 S CB -0.243 62.958 63.200 0.002 0.000 0.915 403 S HN 0.504 nan 8.310 nan 0.000 0.439 404 E N 0.823 121.025 120.200 0.003 0.000 2.359 404 E HA 0.105 4.455 4.350 0.000 0.000 0.187 404 E C 1.779 178.393 176.600 0.024 0.000 1.081 404 E CA -0.367 56.039 56.400 0.010 0.000 0.929 404 E CB 0.044 29.748 29.700 0.007 0.000 1.086 404 E HN 0.410 nan 8.360 nan 0.000 0.462 405 R N 1.453 121.966 120.500 0.022 0.000 2.113 405 R HA -0.225 4.115 4.340 0.000 0.000 0.244 405 R C 0.973 177.277 176.300 0.006 0.000 1.142 405 R CA 1.872 57.987 56.100 0.025 0.000 0.953 405 R CB -0.031 30.275 30.300 0.009 0.000 0.860 405 R HN 0.217 nan 8.270 nan 0.000 0.438 406 D N -0.411 119.982 120.400 -0.011 0.000 2.183 406 D HA -0.138 4.502 4.640 0.000 0.000 0.203 406 D C 2.007 178.300 176.300 -0.011 0.000 0.969 406 D CA 0.697 54.679 54.000 -0.028 0.000 0.842 406 D CB -0.183 40.597 40.800 -0.032 0.000 0.957 406 D HN 0.330 nan 8.370 nan 0.000 0.484 407 R N 0.723 121.228 120.500 0.008 0.000 2.090 407 R HA -0.006 4.334 4.340 0.000 0.000 0.228 407 R C 2.284 178.610 176.300 0.044 0.000 1.110 407 R CA 0.518 56.630 56.100 0.019 0.000 0.973 407 R CB -0.135 30.176 30.300 0.017 0.000 0.869 407 R HN 0.141 nan 8.270 nan 0.000 0.440 408 L N -0.106 121.158 121.223 0.068 0.000 2.465 408 L HA 0.102 4.442 4.340 0.000 0.000 0.224 408 L C 1.117 178.079 176.870 0.154 0.000 1.145 408 L CA 0.710 55.632 54.840 0.137 0.000 0.834 408 L CB -0.090 42.088 42.059 0.198 0.000 0.944 408 L HN 0.593 nan 8.230 nan 0.000 0.451 409 G N 1.169 109.998 108.800 0.049 0.000 2.198 409 G HA2 -0.292 3.669 3.960 0.000 0.000 0.257 409 G HA3 -0.292 3.669 3.960 0.000 0.000 0.257 409 G C 0.156 174.949 174.900 -0.180 0.000 1.042 409 G CA -0.189 44.883 45.100 -0.047 0.000 0.791 409 G HN 0.338 nan 8.290 nan 0.000 0.502 410 I N 0.936 121.446 120.570 -0.101 0.000 2.329 410 I HA 0.197 4.367 4.170 0.000 0.000 0.295 410 I C 1.010 176.937 176.117 -0.317 0.000 1.109 410 I CA -0.009 61.218 61.300 -0.122 0.000 1.297 410 I CB 0.328 38.370 38.000 0.069 0.000 1.433 410 I HN 0.082 nan 8.210 nan 0.000 0.509 411 K N 3.304 123.189 120.400 -0.858 0.000 2.127 411 K HA 0.370 4.690 4.320 0.000 0.000 0.240 411 K C 1.114 177.469 176.600 -0.409 0.000 1.024 411 K CA -0.423 55.356 56.287 -0.846 0.000 0.918 411 K CB 0.956 32.597 32.500 -1.432 0.000 1.108 411 K HN 0.570 nan 8.250 nan 0.000 0.485 412 T N -3.589 110.802 114.554 -0.271 0.000 2.990 412 T HA 0.103 4.453 4.350 0.000 0.000 0.249 412 T C 0.415 175.107 174.700 -0.014 0.000 1.039 412 T CA -0.285 61.785 62.100 -0.052 0.000 1.036 412 T CB 0.018 68.856 68.868 -0.050 0.000 0.994 412 T HN 0.337 nan 8.240 nan 0.000 0.489 413 V N -0.945 118.891 119.914 -0.131 0.000 2.447 413 V HA 0.809 4.929 4.120 0.000 0.000 0.292 413 V C -1.689 174.362 176.094 -0.072 0.000 1.021 413 V CA -1.626 60.661 62.300 -0.022 0.000 0.850 413 V CB 0.383 32.187 31.823 -0.032 0.000 1.005 413 V HN 0.344 nan 8.190 nan 0.000 0.426 414 W N 3.783 125.027 121.300 -0.093 0.000 2.799 414 W HA 0.766 5.426 4.660 0.000 0.000 0.349 414 W C -2.840 173.672 176.519 -0.011 0.000 1.100 414 W CA -2.704 54.616 57.345 -0.041 0.000 1.174 414 W CB 1.401 30.858 29.460 -0.005 0.000 1.427 414 W HN 0.299 nan 8.180 nan 0.000 0.547 415 P HA 0.165 nan 4.420 nan 0.000 0.287 415 P C 0.776 178.204 177.300 0.214 0.000 1.294 415 P CA 0.114 63.324 63.100 0.184 0.000 0.776 415 P CB 1.102 32.887 31.700 0.142 0.000 0.889 416 T N 2.350 116.995 114.554 0.151 0.000 2.714 416 T HA -0.253 4.097 4.350 0.000 0.000 0.268 416 T C 1.724 176.509 174.700 0.141 0.000 1.036 416 T CA 1.545 63.728 62.100 0.138 0.000 1.148 416 T CB -0.286 68.632 68.868 0.083 0.000 0.856 416 T HN 0.433 nan 8.240 nan 0.000 0.462 417 R N 0.540 121.108 120.500 0.112 0.000 2.070 417 R HA -0.085 4.255 4.340 0.000 0.000 0.232 417 R C 2.659 179.013 176.300 0.089 0.000 1.138 417 R CA 1.693 57.840 56.100 0.079 0.000 0.936 417 R CB -0.220 30.117 30.300 0.062 0.000 0.839 417 R HN 0.530 nan 8.270 nan 0.000 0.429 418 E N -0.559 119.727 120.200 0.143 0.000 2.049 418 E HA -0.285 4.065 4.350 0.000 0.000 0.198 418 E C 1.842 178.569 176.600 0.212 0.000 1.007 418 E CA 1.726 58.238 56.400 0.188 0.000 0.809 418 E CB -0.286 29.588 29.700 0.290 0.000 0.749 418 E HN 0.334 nan 8.360 nan 0.000 0.450 419 Y N 1.647 122.003 120.300 0.093 0.000 2.165 419 Y HA -0.260 4.290 4.550 0.000 0.000 0.286 419 Y C 2.468 178.272 175.900 -0.161 0.000 1.155 419 Y CA 1.914 59.822 58.100 -0.320 0.000 1.164 419 Y CB -0.554 37.572 38.460 -0.556 0.000 0.978 419 Y HN -0.057 nan 8.280 nan 0.000 0.513 420 T N 0.233 114.718 114.554 -0.115 0.000 2.720 420 T HA -0.181 4.169 4.350 0.000 0.000 0.268 420 T C 1.285 175.889 174.700 -0.160 0.000 1.037 420 T CA 1.723 63.732 62.100 -0.152 0.000 1.144 420 T CB -0.334 68.516 68.868 -0.031 0.000 0.864 420 T HN 0.407 nan 8.240 nan 0.000 0.444 421 D N 0.230 120.571 120.400 -0.097 0.000 2.312 421 D HA 0.009 4.649 4.640 0.000 0.000 0.211 421 D C 1.526 177.775 176.300 -0.086 0.000 0.964 421 D CA 0.359 54.300 54.000 -0.100 0.000 0.877 421 D CB -0.286 40.433 40.800 -0.136 0.000 0.924 421 D HN 0.412 nan 8.370 nan 0.000 0.515 422 F N 1.786 121.583 119.950 -0.255 0.000 2.367 422 F HA 0.037 4.564 4.527 0.000 0.000 0.298 422 F C 1.371 177.063 175.800 -0.181 0.000 1.094 422 F CA 0.542 58.452 58.000 -0.151 0.000 1.409 422 F CB 0.125 38.955 39.000 -0.283 0.000 1.064 422 F HN -0.277 nan 8.300 nan 0.000 0.528 423 R N 1.469 121.762 120.500 -0.344 0.000 3.385 423 R HA 0.025 4.365 4.340 0.000 0.000 0.236 423 R C 0.223 176.392 176.300 -0.218 0.000 1.663 423 R CA 0.919 56.804 56.100 -0.358 0.000 1.444 423 R CB -0.659 29.431 30.300 -0.349 0.000 1.218 423 R HN 0.615 nan 8.270 nan 0.000 0.575 424 E N -2.791 117.307 120.200 -0.171 0.000 2.330 424 E HA -0.081 4.269 4.350 0.000 0.000 0.204 424 E C 0.505 177.106 176.600 0.001 0.000 1.024 424 E CA -0.336 56.026 56.400 -0.064 0.000 1.545 424 E CB -0.555 29.133 29.700 -0.020 0.000 3.224 424 E HN 0.125 nan 8.360 nan 0.000 1.075 425 Y N 0.578 120.771 120.300 -0.179 0.000 2.680 425 Y HA 0.212 4.762 4.550 0.000 0.000 0.303 425 Y C 0.377 176.173 175.900 -0.172 0.000 1.166 425 Y CA 0.881 58.899 58.100 -0.137 0.000 1.344 425 Y CB 0.085 38.516 38.460 -0.049 0.000 1.002 425 Y HN 0.242 nan 8.280 nan 0.000 0.537 426 F N -1.448 118.309 119.950 -0.322 0.000 2.991 426 F HA 0.058 4.585 4.527 0.000 0.000 0.315 426 F C 0.672 176.285 175.800 -0.312 0.000 1.263 426 F CA -0.131 57.662 58.000 -0.345 0.000 0.886 426 F CB 0.184 38.871 39.000 -0.523 0.000 1.589 426 F HN -0.140 nan 8.300 nan 0.000 0.488 427 M N 0.585 120.146 119.600 -0.064 0.000 2.410 427 M HA 0.293 4.773 4.480 0.000 0.000 0.376 427 M C 0.278 176.545 176.300 -0.054 0.000 1.051 427 M CA 0.522 55.764 55.300 -0.096 0.000 0.949 427 M CB 0.182 32.685 32.600 -0.162 0.000 1.577 427 M HN -0.070 nan 8.290 nan 0.000 0.560 428 E N 1.481 121.663 120.200 -0.030 0.000 2.351 428 E HA 0.276 4.626 4.350 0.000 0.000 0.236 428 E C -0.766 175.821 176.600 -0.021 0.000 1.341 428 E CA 0.061 56.445 56.400 -0.028 0.000 1.579 428 E CB 0.156 29.837 29.700 -0.031 0.000 1.393 428 E HN 0.110 nan 8.360 nan 0.000 0.438 429 V N -0.383 119.520 119.914 -0.018 0.000 2.697 429 V HA 0.484 4.604 4.120 0.000 0.000 0.300 429 V C -0.217 175.862 176.094 -0.026 0.000 1.115 429 V CA -0.847 61.443 62.300 -0.016 0.000 0.912 429 V CB 1.596 33.420 31.823 0.002 0.000 1.024 429 V HN 0.213 nan 8.190 nan 0.000 0.431 430 A N 3.095 125.899 122.820 -0.026 0.000 2.620 430 A HA -0.100 4.220 4.320 0.000 0.000 0.289 430 A C -0.187 177.379 177.584 -0.029 0.000 1.424 430 A CA 0.788 52.807 52.037 -0.029 0.000 0.727 430 A CB -1.819 17.160 19.000 -0.034 0.000 1.116 430 A HN 0.951 nan 8.150 nan 0.000 0.404 431 D N 0.000 120.385 120.400 -0.026 0.000 6.856 431 D HA 0.000 4.640 4.640 0.000 0.000 0.175 431 D CA 0.000 53.985 54.000 -0.025 0.000 0.868 431 D CB 0.000 40.786 40.800 -0.023 0.000 0.688 431 D HN 0.000 nan 8.370 nan 0.000 0.683