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 1bi9_1_B DATA FIRST_RESID 3 DATA SEQUENCE ASLQLLPSPT PNLEIKYTKI FINNEWQNSE SGRVFPVCNP ATGEQVCEVQ DATA SEQUENCE EADKVDIDKA VQAARLAFSL GSVWRRMDAS ERGRLLDKLA DLVERDRATL DATA SEQUENCE ATMESLNGGK PFLQAFYIDL QGVIKTLRYY AGWADKIHGM TIPVDGDYFT DATA SEQUENCE FTRHEPIGVC GQIIPWNFPL LMFTWKIAPA LCCGNTVVIK PAEQTPLSAL DATA SEQUENCE YMGALIKEAG FPPGVVNILP GYGPTAGAAI ASHIGIDKIA FTGSTEVGKL DATA SEQUENCE IQEAAGRSNL KRVTLELGGK SPNIIFADAD LDYAVEQAHQ GVFFNQGQCC DATA SEQUENCE TAGSRIFVEE SIYEEFVKRS VERAKRRIVG SPFDPTTEQG PQIDKKQYNK DATA SEQUENCE ILELIQSGVA EGAKLECGGK GLGRKGFFIE PTVFSNVTDD MRIAKEEIFG DATA SEQUENCE PVQEILRFKT MDEVIERANN SDFGLVAAVF TNDINKALMV SSAMQAGTVW DATA SEQUENCE INCYXXXXXX XXXXXXXXXX XXXXXGEFGL REYSEVKTVT VKIPQKNS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.585 177.584 0.001 0.000 1.274 3 A CA 0.000 52.038 52.037 0.001 0.000 0.836 3 A CB 0.000 19.001 19.000 0.002 0.000 0.831 4 S N 2.598 118.299 115.700 0.001 0.000 2.437 4 S HA 0.842 5.311 4.470 -0.002 0.000 0.305 4 S C -0.237 174.364 174.600 0.002 0.000 1.109 4 S CA -0.653 57.547 58.200 0.001 0.000 1.099 4 S CB 0.914 64.114 63.200 0.000 0.000 1.004 4 S HN 0.703 nan 8.310 nan 0.000 0.475 5 L N 2.376 123.600 121.223 0.002 0.000 2.304 5 L HA 0.661 5.000 4.340 -0.002 0.000 0.268 5 L C -0.172 176.700 176.870 0.004 0.000 1.010 5 L CA -1.016 53.827 54.840 0.004 0.000 0.813 5 L CB 1.454 43.516 42.059 0.005 0.000 1.315 5 L HN 0.698 nan 8.230 nan 0.000 0.445 6 Q N 1.681 121.485 119.800 0.007 0.000 2.433 6 Q HA 0.654 4.993 4.340 -0.002 0.000 0.279 6 Q C -1.522 174.483 176.000 0.009 0.000 1.105 6 Q CA -0.715 55.091 55.803 0.006 0.000 0.815 6 Q CB 2.889 31.631 28.738 0.008 0.000 1.403 6 Q HN 0.644 nan 8.270 nan 0.000 0.435 7 L N 1.337 122.562 121.223 0.003 0.000 2.341 7 L HA 0.539 4.878 4.340 -0.002 0.000 0.267 7 L C -0.420 176.451 176.870 0.001 0.000 1.009 7 L CA -0.467 54.375 54.840 0.003 0.000 0.819 7 L CB 1.583 43.635 42.059 -0.011 0.000 1.323 7 L HN 0.813 nan 8.230 nan 0.000 0.425 8 L N 1.302 122.528 121.223 0.005 0.000 2.718 8 L HA 0.240 4.579 4.340 -0.002 0.000 0.247 8 L C -1.836 175.012 176.870 -0.036 0.000 1.028 8 L CA -0.249 54.590 54.840 -0.001 0.000 1.031 8 L CB 0.180 42.257 42.059 0.030 0.000 1.910 8 L HN 0.482 nan 8.230 nan 0.000 0.526 9 P HA 0.222 nan 4.420 nan 0.000 0.283 9 P C -0.867 176.372 177.300 -0.102 0.000 1.412 9 P CA 0.375 63.372 63.100 -0.173 0.000 0.912 9 P CB 1.071 32.701 31.700 -0.117 0.000 1.132 10 S N 3.755 119.368 115.700 -0.144 0.000 2.549 10 S HA 0.692 5.161 4.470 -0.002 0.000 0.280 10 S C -2.883 171.490 174.600 -0.379 0.000 1.109 10 S CA -1.588 56.466 58.200 -0.244 0.000 0.905 10 S CB 1.845 64.918 63.200 -0.213 0.000 1.081 10 S HN 0.190 nan 8.310 nan 0.000 0.477 11 P HA 0.082 nan 4.420 nan 0.000 0.269 11 P C -0.114 176.912 177.300 -0.458 0.000 1.217 11 P CA 0.047 62.579 63.100 -0.947 0.000 0.783 11 P CB 0.112 30.942 31.700 -1.451 0.000 0.898 12 T N 2.838 117.216 114.554 -0.293 0.000 2.743 12 T HA 0.213 4.562 4.350 -0.002 0.000 0.290 12 T C -2.017 172.526 174.700 -0.263 0.000 0.908 12 T CA -1.927 60.057 62.100 -0.193 0.000 1.092 12 T CB -0.801 68.010 68.868 -0.094 0.000 0.882 12 T HN 0.264 nan 8.240 nan 0.000 0.531 13 P HA -0.028 nan 4.420 nan 0.000 0.260 13 P C -0.323 176.877 177.300 -0.167 0.000 1.172 13 P CA 0.112 63.075 63.100 -0.228 0.000 0.760 13 P CB 0.181 31.781 31.700 -0.168 0.000 0.773 14 N N -0.155 118.444 118.700 -0.168 0.000 2.667 14 N HA -0.192 4.547 4.740 -0.002 0.000 0.263 14 N C 0.015 175.478 175.510 -0.079 0.000 1.038 14 N CA 0.413 53.405 53.050 -0.097 0.000 0.749 14 N CB -1.179 37.265 38.487 -0.072 0.000 0.892 14 N HN 0.436 nan 8.380 nan 0.000 0.546 15 L N 1.042 122.216 121.223 -0.082 0.000 2.559 15 L HA 0.013 4.352 4.340 -0.002 0.000 0.274 15 L C 0.635 177.489 176.870 -0.026 0.000 1.205 15 L CA 0.608 55.417 54.840 -0.050 0.000 0.907 15 L CB 0.222 42.264 42.059 -0.030 0.000 1.153 15 L HN 0.157 nan 8.230 nan 0.000 0.490 16 E N 5.856 126.037 120.200 -0.031 0.000 2.191 16 E HA 0.322 4.671 4.350 -0.002 0.000 0.278 16 E C -0.711 175.868 176.600 -0.035 0.000 0.972 16 E CA -0.845 55.532 56.400 -0.037 0.000 0.804 16 E CB 1.609 31.279 29.700 -0.050 0.000 1.110 16 E HN 0.412 nan 8.360 nan 0.000 0.394 17 I N 3.724 124.266 120.570 -0.047 0.000 2.278 17 I HA 0.025 4.194 4.170 -0.002 0.000 0.296 17 I C 1.290 177.326 176.117 -0.135 0.000 1.121 17 I CA 0.342 61.612 61.300 -0.049 0.000 1.267 17 I CB 0.259 38.231 38.000 -0.047 0.000 1.447 17 I HN 0.630 nan 8.210 nan 0.000 0.509 18 K N 5.112 125.397 120.400 -0.191 0.000 2.155 18 K HA -0.055 4.264 4.320 -0.002 0.000 0.203 18 K C -0.300 175.794 176.600 -0.842 0.000 1.052 18 K CA 1.080 57.057 56.287 -0.516 0.000 0.948 18 K CB 0.275 32.381 32.500 -0.656 0.000 0.728 18 K HN 0.374 nan 8.250 nan 0.000 0.448 19 Y N 0.327 120.458 120.300 -0.283 0.000 2.356 19 Y HA 0.159 4.708 4.550 -0.002 0.000 0.334 19 Y C 0.476 176.199 175.900 -0.295 0.000 0.958 19 Y CA -0.588 57.208 58.100 -0.506 0.000 1.196 19 Y CB 1.873 39.964 38.460 -0.614 0.000 1.137 19 Y HN 0.018 nan 8.280 nan 0.000 0.485 20 T N -2.004 112.447 114.554 -0.172 0.000 3.130 20 T HA 0.337 4.686 4.350 -0.002 0.000 0.288 20 T C 0.151 174.872 174.700 0.034 0.000 0.936 20 T CA -0.512 61.550 62.100 -0.063 0.000 0.897 20 T CB 0.071 68.873 68.868 -0.110 0.000 1.178 20 T HN 0.302 nan 8.240 nan 0.000 0.543 21 K N 0.835 121.318 120.400 0.139 0.000 2.240 21 K HA 0.694 5.013 4.320 -0.002 0.000 0.237 21 K C -0.342 176.559 176.600 0.501 0.000 1.027 21 K CA -1.012 55.458 56.287 0.306 0.000 0.937 21 K CB 1.230 33.948 32.500 0.362 0.000 1.171 21 K HN 0.091 nan 8.250 nan 0.000 0.479 22 I N 1.204 122.004 120.570 0.384 0.000 2.638 22 I HA 0.064 4.233 4.170 -0.002 0.000 0.286 22 I C -0.385 175.903 176.117 0.285 0.000 1.088 22 I CA -0.159 61.325 61.300 0.308 0.000 1.397 22 I CB 0.340 38.450 38.000 0.183 0.000 1.414 22 I HN 0.352 nan 8.210 nan 0.000 0.566 23 F N 7.663 127.574 119.950 -0.065 0.000 2.347 23 F HA 0.601 5.128 4.527 -0.001 0.000 0.366 23 F C -0.609 175.029 175.800 -0.270 0.000 1.107 23 F CA -0.512 57.235 58.000 -0.422 0.000 1.058 23 F CB 0.343 38.987 39.000 -0.593 0.000 1.236 23 F HN 0.128 nan 8.300 nan 0.000 0.456 24 I N 5.264 125.440 120.570 -0.657 0.000 2.534 24 I HA 0.198 4.367 4.170 -0.002 0.000 0.288 24 I C -0.156 175.612 176.117 -0.582 0.000 1.077 24 I CA -1.063 59.938 61.300 -0.499 0.000 1.051 24 I CB 1.880 39.740 38.000 -0.233 0.000 1.234 24 I HN 0.559 nan 8.210 nan 0.000 0.425 25 N N 4.336 122.717 118.700 -0.531 0.000 2.735 25 N HA -0.229 4.510 4.740 -0.002 0.000 0.248 25 N C -0.202 175.005 175.510 -0.505 0.000 1.083 25 N CA 0.703 53.508 53.050 -0.408 0.000 0.703 25 N CB -0.879 37.459 38.487 -0.248 0.000 1.005 25 N HN 0.746 nan 8.380 nan 0.000 0.550 26 N N -0.974 117.179 118.700 -0.912 0.000 2.727 26 N HA -0.213 4.526 4.740 -0.002 0.000 0.249 26 N C -1.286 173.886 175.510 -0.564 0.000 1.048 26 N CA 1.534 54.102 53.050 -0.803 0.000 0.714 26 N CB -0.628 37.716 38.487 -0.238 0.000 0.959 26 N HN 0.627 nan 8.380 nan 0.000 0.544 27 E N -0.885 118.874 120.200 -0.736 0.000 2.314 27 E HA 0.276 4.625 4.350 -0.002 0.000 0.272 27 E C -0.486 175.875 176.600 -0.398 0.000 0.884 27 E CA -0.486 55.692 56.400 -0.370 0.000 0.753 27 E CB 0.809 30.382 29.700 -0.211 0.000 1.213 27 E HN 0.150 nan 8.360 nan 0.000 0.432 28 W N 2.779 124.124 121.300 0.075 0.000 2.311 28 W HA 0.217 4.877 4.660 -0.001 0.000 0.317 28 W C 0.580 177.140 176.519 0.069 0.000 1.065 28 W CA -0.465 56.957 57.345 0.129 0.000 1.364 28 W CB 0.800 30.367 29.460 0.178 0.000 1.233 28 W HN 0.084 nan 8.180 nan 0.000 0.409 29 Q N 1.847 121.779 119.800 0.220 0.000 2.195 29 Q HA 0.379 4.718 4.340 -0.002 0.000 0.250 29 Q C -0.446 175.651 176.000 0.162 0.000 0.988 29 Q CA -0.918 54.971 55.803 0.143 0.000 0.911 29 Q CB 1.488 30.266 28.738 0.065 0.000 1.258 29 Q HN 0.498 nan 8.270 nan 0.000 0.475 30 N N -0.312 118.457 118.700 0.116 0.000 2.456 30 N HA 0.230 4.969 4.740 -0.002 0.000 0.296 30 N C -0.640 174.928 175.510 0.097 0.000 1.102 30 N CA -0.377 52.736 53.050 0.106 0.000 0.924 30 N CB 1.236 39.771 38.487 0.080 0.000 1.186 30 N HN 0.517 nan 8.380 nan 0.000 0.492 31 S N 0.867 116.631 115.700 0.106 0.000 2.552 31 S HA 0.004 4.473 4.470 -0.002 0.000 0.289 31 S C 1.011 175.660 174.600 0.081 0.000 1.304 31 S CA -0.351 57.911 58.200 0.104 0.000 1.063 31 S CB 0.879 64.155 63.200 0.126 0.000 0.848 31 S HN 0.511 nan 8.310 nan 0.000 0.499 32 E N 2.550 122.792 120.200 0.070 0.000 2.058 32 E HA -0.160 4.189 4.350 -0.002 0.000 0.194 32 E C 2.389 179.022 176.600 0.055 0.000 0.997 32 E CA 1.803 58.236 56.400 0.056 0.000 0.801 32 E CB -0.781 28.948 29.700 0.050 0.000 0.746 32 E HN 0.963 nan 8.360 nan 0.000 0.450 33 S N -0.677 115.060 115.700 0.062 0.000 2.442 33 S HA -0.033 4.436 4.470 -0.002 0.000 0.236 33 S C 1.764 176.400 174.600 0.061 0.000 1.007 33 S CA 1.437 59.673 58.200 0.059 0.000 0.965 33 S CB -0.109 63.130 63.200 0.066 0.000 0.773 33 S HN 0.398 nan 8.310 nan 0.000 0.504 34 G N 1.106 109.948 108.800 0.069 0.000 2.199 34 G HA2 -0.315 3.644 3.960 -0.002 0.000 0.254 34 G HA3 -0.315 3.644 3.960 -0.002 0.000 0.254 34 G C 0.216 175.164 174.900 0.080 0.000 0.982 34 G CA 0.208 45.348 45.100 0.067 0.000 0.632 34 G HN 0.750 nan 8.290 nan 0.000 0.529 35 R N -0.026 120.532 120.500 0.096 0.000 2.734 35 R HA 0.521 4.860 4.340 -0.002 0.000 0.266 35 R C -0.459 175.936 176.300 0.158 0.000 1.044 35 R CA 0.332 56.504 56.100 0.120 0.000 1.128 35 R CB 0.599 30.977 30.300 0.130 0.000 1.010 35 R HN 0.183 nan 8.270 nan 0.000 0.461 36 V N 4.428 124.446 119.914 0.174 0.000 2.971 36 V HA 0.473 4.592 4.120 -0.002 0.000 0.309 36 V C -1.155 175.100 176.094 0.268 0.000 1.130 36 V CA -0.646 61.762 62.300 0.180 0.000 0.964 36 V CB 1.901 33.768 31.823 0.072 0.000 1.029 36 V HN 0.715 nan 8.190 nan 0.000 0.427 37 F N 4.518 124.522 119.950 0.091 0.000 2.577 37 F HA 0.971 5.497 4.527 -0.002 0.000 0.318 37 F C -2.864 172.975 175.800 0.065 0.000 1.065 37 F CA -2.921 55.147 58.000 0.113 0.000 0.929 37 F CB 1.617 40.721 39.000 0.173 0.000 1.237 37 F HN 0.294 nan 8.300 nan 0.000 0.468 38 P HA 0.406 nan 4.420 nan 0.000 0.279 38 P C -1.321 175.983 177.300 0.008 0.000 1.252 38 P CA -0.404 62.697 63.100 0.001 0.000 0.811 38 P CB 2.461 34.205 31.700 0.073 0.000 1.035 39 V N 1.197 121.083 119.914 -0.046 0.000 2.638 39 V HA 0.366 4.485 4.120 -0.002 0.000 0.306 39 V C 0.023 176.118 176.094 0.002 0.000 1.052 39 V CA -0.288 62.003 62.300 -0.015 0.000 0.885 39 V CB 1.793 33.573 31.823 -0.071 0.000 0.999 39 V HN 0.734 nan 8.190 nan 0.000 0.424 40 C N 2.932 122.243 119.300 0.019 0.000 2.667 40 C HA 0.532 4.991 4.460 -0.002 0.000 0.323 40 C C 0.141 175.139 174.990 0.013 0.000 1.214 40 C CA -0.999 58.033 59.018 0.022 0.000 1.721 40 C CB 1.789 29.562 27.740 0.055 0.000 2.275 40 C HN 0.880 nan 8.230 nan 0.000 0.491 41 N N 2.628 121.331 118.700 0.006 0.000 2.408 41 N HA 0.191 4.930 4.740 -0.002 0.000 0.257 41 N C -1.534 173.973 175.510 -0.005 0.000 1.064 41 N CA -1.472 51.567 53.050 -0.018 0.000 0.952 41 N CB 1.369 39.840 38.487 -0.028 0.000 1.093 41 N HN 0.434 nan 8.380 nan 0.000 0.490 42 P HA 0.010 nan 4.420 nan 0.000 0.237 42 P C 0.512 177.738 177.300 -0.122 0.000 1.178 42 P CA 0.441 63.588 63.100 0.079 0.000 0.766 42 P CB 0.366 32.066 31.700 -0.001 0.000 0.876 43 A N 0.382 123.116 122.820 -0.143 0.000 1.956 43 A HA 0.000 4.319 4.320 -0.002 0.000 0.212 43 A C 2.189 179.794 177.584 0.035 0.000 1.188 43 A CA 1.850 53.855 52.037 -0.053 0.000 0.675 43 A CB -1.142 17.888 19.000 0.050 0.000 0.845 43 A HN 0.337 nan 8.150 nan 0.000 0.455 44 T N -5.704 108.808 114.554 -0.070 0.000 3.046 44 T HA 0.425 4.774 4.350 -0.002 0.000 0.242 44 T C 1.537 176.123 174.700 -0.190 0.000 1.018 44 T CA 1.321 63.365 62.100 -0.094 0.000 1.131 44 T CB 0.227 69.063 68.868 -0.054 0.000 0.904 44 T HN 1.626 nan 8.240 nan 0.000 0.459 45 G N 1.817 110.507 108.800 -0.184 0.000 2.195 45 G HA2 -0.199 3.760 3.960 -0.002 0.000 0.224 45 G HA3 -0.199 3.760 3.960 -0.002 0.000 0.224 45 G C -0.014 174.853 174.900 -0.056 0.000 0.990 45 G CA 0.254 45.243 45.100 -0.184 0.000 0.639 45 G HN 0.986 nan 8.290 nan 0.000 0.514 46 E N 1.208 121.379 120.200 -0.048 0.000 2.371 46 E HA 0.348 4.697 4.350 -0.002 0.000 0.257 46 E C 0.036 176.633 176.600 -0.004 0.000 1.134 46 E CA -0.230 56.156 56.400 -0.023 0.000 0.919 46 E CB 0.552 30.237 29.700 -0.025 0.000 1.025 46 E HN 0.443 nan 8.360 nan 0.000 0.438 47 Q N 1.503 121.302 119.800 -0.002 0.000 2.288 47 Q HA 0.169 4.508 4.340 -0.002 0.000 0.258 47 Q C 0.329 176.324 176.000 -0.009 0.000 0.957 47 Q CA -0.456 55.347 55.803 0.000 0.000 0.919 47 Q CB 1.329 30.067 28.738 0.000 0.000 1.185 47 Q HN 0.505 nan 8.270 nan 0.000 0.408 48 V N 3.848 123.755 119.914 -0.011 0.000 2.649 48 V HA -0.027 4.092 4.120 -0.002 0.000 0.248 48 V C 0.787 176.863 176.094 -0.030 0.000 1.054 48 V CA 1.201 63.492 62.300 -0.014 0.000 1.073 48 V CB -0.476 31.341 31.823 -0.008 0.000 0.699 48 V HN 1.037 nan 8.190 nan 0.000 0.463 49 C N -2.177 117.094 119.300 -0.047 0.000 3.180 49 C HA 0.506 4.965 4.460 -0.002 0.000 0.334 49 C C -1.374 173.555 174.990 -0.102 0.000 1.399 49 C CA -1.214 57.763 59.018 -0.069 0.000 1.185 49 C CB 0.995 28.689 27.740 -0.077 0.000 1.498 49 C HN 0.348 nan 8.230 nan 0.000 0.426 50 E N 0.053 120.176 120.200 -0.127 0.000 2.277 50 E HA 0.773 5.122 4.350 -0.002 0.000 0.266 50 E C -1.353 175.090 176.600 -0.263 0.000 0.901 50 E CA -0.713 55.575 56.400 -0.187 0.000 0.782 50 E CB 2.447 32.081 29.700 -0.110 0.000 1.228 50 E HN 0.610 nan 8.360 nan 0.000 0.424 51 V N 1.931 121.563 119.914 -0.471 0.000 2.876 51 V HA 0.155 4.274 4.120 -0.002 0.000 0.312 51 V C -0.479 175.433 176.094 -0.303 0.000 1.085 51 V CA -1.127 60.898 62.300 -0.459 0.000 0.945 51 V CB 2.034 33.434 31.823 -0.706 0.000 1.017 51 V HN 0.574 nan 8.190 nan 0.000 0.428 52 Q N 2.412 122.192 119.800 -0.034 0.000 2.330 52 Q HA 0.139 4.478 4.340 -0.002 0.000 0.279 52 Q C -0.035 176.147 176.000 0.304 0.000 1.024 52 Q CA 0.331 56.207 55.803 0.121 0.000 0.900 52 Q CB 0.796 29.620 28.738 0.142 0.000 1.221 52 Q HN 0.826 nan 8.270 nan 0.000 0.396 53 E N 0.946 121.368 120.200 0.368 0.000 2.109 53 E HA 0.480 4.829 4.350 -0.002 0.000 0.278 53 E C -1.162 175.570 176.600 0.221 0.000 0.954 53 E CA -0.512 56.136 56.400 0.414 0.000 0.779 53 E CB 0.886 30.842 29.700 0.426 0.000 1.093 53 E HN 0.614 nan 8.360 nan 0.000 0.401 54 A N 4.535 127.457 122.820 0.170 0.000 2.302 54 A HA 0.406 4.725 4.320 -0.002 0.000 0.285 54 A C -0.323 177.317 177.584 0.093 0.000 1.105 54 A CA -0.407 51.702 52.037 0.120 0.000 0.816 54 A CB 0.975 20.040 19.000 0.108 0.000 1.067 54 A HN 0.814 nan 8.150 nan 0.000 0.489 55 D N -0.565 119.886 120.400 0.084 0.000 2.652 55 D HA 0.240 4.879 4.640 -0.002 0.000 0.285 55 D C 0.461 176.802 176.300 0.068 0.000 1.173 55 D CA -0.614 53.431 54.000 0.074 0.000 0.981 55 D CB 1.286 42.129 40.800 0.071 0.000 1.440 55 D HN 0.315 nan 8.370 nan 0.000 0.485 56 K N -0.066 120.372 120.400 0.063 0.000 2.137 56 K HA -0.163 4.156 4.320 -0.002 0.000 0.216 56 K C 1.845 178.489 176.600 0.074 0.000 1.052 56 K CA 1.410 57.736 56.287 0.066 0.000 0.939 56 K CB -0.759 31.768 32.500 0.045 0.000 0.724 56 K HN 0.238 nan 8.250 nan 0.000 0.465 57 V N 1.911 121.862 119.914 0.061 0.000 2.515 57 V HA -0.193 3.926 4.120 -0.002 0.000 0.250 57 V C 1.956 178.086 176.094 0.060 0.000 1.058 57 V CA 1.781 64.117 62.300 0.058 0.000 1.064 57 V CB -0.354 31.497 31.823 0.047 0.000 0.675 57 V HN 0.257 nan 8.190 nan 0.000 0.461 58 D N 0.252 120.688 120.400 0.061 0.000 2.103 58 D HA -0.080 4.559 4.640 -0.002 0.000 0.199 58 D C 2.176 178.502 176.300 0.043 0.000 0.978 58 D CA 1.039 55.071 54.000 0.053 0.000 0.829 58 D CB -0.067 40.773 40.800 0.066 0.000 0.981 58 D HN 0.260 nan 8.370 nan 0.000 0.464 59 I N 1.665 122.268 120.570 0.056 0.000 2.399 59 I HA -0.225 3.944 4.170 -0.002 0.000 0.254 59 I C 1.650 177.784 176.117 0.028 0.000 1.146 59 I CA 1.297 62.623 61.300 0.043 0.000 1.412 59 I CB -0.974 37.073 38.000 0.077 0.000 1.076 59 I HN -0.083 nan 8.210 nan 0.000 0.432 60 D N 0.679 121.134 120.400 0.092 0.000 2.123 60 D HA -0.126 4.513 4.640 -0.002 0.000 0.200 60 D C 2.275 178.603 176.300 0.047 0.000 0.976 60 D CA 1.026 55.112 54.000 0.143 0.000 0.831 60 D CB 0.103 41.001 40.800 0.163 0.000 0.974 60 D HN 0.257 nan 8.370 nan 0.000 0.469 61 K N 0.297 120.709 120.400 0.020 0.000 2.057 61 K HA -0.020 4.299 4.320 -0.002 0.000 0.206 61 K C 2.137 178.708 176.600 -0.049 0.000 1.050 61 K CA 0.956 57.237 56.287 -0.008 0.000 0.935 61 K CB -0.102 32.392 32.500 -0.010 0.000 0.715 61 K HN 0.035 nan 8.250 nan 0.000 0.439 62 A N 1.224 124.007 122.820 -0.062 0.000 1.873 62 A HA -0.183 4.136 4.320 -0.002 0.000 0.218 62 A C 2.394 179.906 177.584 -0.119 0.000 1.193 62 A CA 1.843 53.824 52.037 -0.093 0.000 0.629 62 A CB -0.954 18.000 19.000 -0.076 0.000 0.826 62 A HN 0.084 nan 8.150 nan 0.000 0.447 63 V N -0.071 119.743 119.914 -0.166 0.000 2.332 63 V HA -0.353 3.766 4.120 -0.002 0.000 0.248 63 V C 2.679 178.698 176.094 -0.125 0.000 1.055 63 V CA 2.385 64.548 62.300 -0.228 0.000 1.038 63 V CB -0.956 30.535 31.823 -0.553 0.000 0.651 63 V HN 0.656 nan 8.190 nan 0.000 0.450 64 Q N -0.446 119.309 119.800 -0.075 0.000 2.096 64 Q HA -0.203 4.136 4.340 -0.002 0.000 0.204 64 Q C 2.445 178.425 176.000 -0.032 0.000 0.982 64 Q CA 1.832 57.620 55.803 -0.025 0.000 0.850 64 Q CB -0.420 28.315 28.738 -0.005 0.000 0.901 64 Q HN 0.696 nan 8.270 nan 0.000 0.422 65 A N 1.217 124.001 122.820 -0.060 0.000 1.858 65 A HA -0.176 4.143 4.320 -0.002 0.000 0.216 65 A C 2.336 179.883 177.584 -0.062 0.000 1.190 65 A CA 1.782 53.774 52.037 -0.074 0.000 0.617 65 A CB -1.024 17.904 19.000 -0.120 0.000 0.827 65 A HN 0.417 nan 8.150 nan 0.000 0.443 66 A N -0.566 122.208 122.820 -0.076 0.000 1.908 66 A HA -0.188 4.131 4.320 -0.002 0.000 0.218 66 A C 2.192 179.789 177.584 0.022 0.000 1.181 66 A CA 2.265 54.266 52.037 -0.060 0.000 0.627 66 A CB -0.469 18.473 19.000 -0.097 0.000 0.818 66 A HN 0.485 nan 8.150 nan 0.000 0.445 67 R N -0.629 119.886 120.500 0.024 0.000 2.080 67 R HA -0.115 4.224 4.340 -0.002 0.000 0.236 67 R C 1.983 178.363 176.300 0.132 0.000 1.137 67 R CA 1.803 57.961 56.100 0.095 0.000 0.943 67 R CB -0.871 29.464 30.300 0.059 0.000 0.846 67 R HN 0.434 nan 8.270 nan 0.000 0.431 68 L N 0.262 121.528 121.223 0.071 0.000 2.042 68 L HA -0.019 4.320 4.340 -0.002 0.000 0.210 68 L C 1.971 178.891 176.870 0.083 0.000 1.076 68 L CA 2.293 57.169 54.840 0.061 0.000 0.749 68 L CB -0.891 41.183 42.059 0.025 0.000 0.893 68 L HN 0.297 nan 8.230 nan 0.000 0.432 69 A N -2.011 120.858 122.820 0.082 0.000 2.216 69 A HA -0.174 4.145 4.320 -0.002 0.000 0.214 69 A C 1.894 179.631 177.584 0.254 0.000 1.160 69 A CA 1.338 53.437 52.037 0.104 0.000 0.725 69 A CB -0.883 18.120 19.000 0.005 0.000 0.784 69 A HN 0.559 nan 8.150 nan 0.000 0.472 70 F N 0.477 120.485 119.950 0.097 0.000 2.682 70 F HA 0.221 4.747 4.527 -0.003 0.000 0.308 70 F C 1.089 176.953 175.800 0.105 0.000 1.093 70 F CA 0.003 58.094 58.000 0.152 0.000 1.244 70 F CB 0.080 39.155 39.000 0.125 0.000 1.052 70 F HN 0.124 nan 8.300 nan 0.000 0.573 71 S N 1.096 116.810 115.700 0.023 0.000 2.549 71 S HA 0.129 4.598 4.470 -0.002 0.000 0.283 71 S C 1.479 176.006 174.600 -0.122 0.000 1.320 71 S CA -0.542 57.623 58.200 -0.058 0.000 1.058 71 S CB 0.672 63.879 63.200 0.011 0.000 0.882 71 S HN 0.432 nan 8.310 nan 0.000 0.498 72 L N 3.148 124.280 121.223 -0.152 0.000 2.156 72 L HA -0.308 4.031 4.340 -0.002 0.000 0.248 72 L C 2.892 179.715 176.870 -0.078 0.000 1.108 72 L CA 2.128 56.891 54.840 -0.129 0.000 0.842 72 L CB -1.561 40.449 42.059 -0.081 0.000 0.950 72 L HN 1.007 nan 8.230 nan 0.000 0.441 73 G N -0.780 107.995 108.800 -0.042 0.000 2.681 73 G HA2 -0.365 3.594 3.960 -0.002 0.000 0.224 73 G HA3 -0.365 3.594 3.960 -0.002 0.000 0.224 73 G C 0.952 175.849 174.900 -0.006 0.000 1.100 73 G CA 0.974 46.062 45.100 -0.020 0.000 0.743 73 G HN 0.465 nan 8.290 nan 0.000 0.612 74 S N -1.152 114.550 115.700 0.002 0.000 2.536 74 S HA -0.038 4.431 4.470 -0.002 0.000 0.294 74 S C 1.756 176.397 174.600 0.067 0.000 1.289 74 S CA 0.200 58.428 58.200 0.046 0.000 1.035 74 S CB 0.758 64.004 63.200 0.078 0.000 0.783 74 S HN 0.183 nan 8.310 nan 0.000 0.497 75 V N 5.422 125.399 119.914 0.105 0.000 2.358 75 V HA -0.118 4.001 4.120 -0.002 0.000 0.246 75 V C 1.888 178.097 176.094 0.191 0.000 1.047 75 V CA 2.061 64.433 62.300 0.119 0.000 1.035 75 V CB -0.834 31.062 31.823 0.122 0.000 0.658 75 V HN 1.018 nan 8.190 nan 0.000 0.452 76 W N 0.478 121.796 121.300 0.031 0.000 2.425 76 W HA -0.106 4.552 4.660 -0.003 0.000 0.277 76 W C 2.320 178.868 176.519 0.047 0.000 1.231 76 W CA 0.775 58.156 57.345 0.060 0.000 1.248 76 W CB 0.025 29.550 29.460 0.107 0.000 1.117 76 W HN 0.165 nan 8.180 nan 0.000 0.568 77 R N 0.209 120.748 120.500 0.064 0.000 2.210 77 R HA 0.039 4.378 4.340 -0.002 0.000 0.203 77 R C 1.951 178.183 176.300 -0.113 0.000 1.010 77 R CA 0.574 56.611 56.100 -0.106 0.000 1.008 77 R CB -0.312 29.899 30.300 -0.148 0.000 0.923 77 R HN 0.303 nan 8.270 nan 0.000 0.469 78 R N -0.210 120.255 120.500 -0.059 0.000 2.265 78 R HA 0.211 4.550 4.340 -0.002 0.000 0.194 78 R C 0.984 177.246 176.300 -0.063 0.000 0.931 78 R CA -0.223 55.845 56.100 -0.053 0.000 1.032 78 R CB 0.111 30.397 30.300 -0.023 0.000 0.980 78 R HN 0.059 nan 8.270 nan 0.000 0.497 79 M N 2.647 122.201 119.600 -0.077 0.000 2.284 79 M HA -0.046 4.433 4.480 -0.002 0.000 0.351 79 M C -0.677 175.550 176.300 -0.122 0.000 1.443 79 M CA 0.475 55.723 55.300 -0.086 0.000 1.031 79 M CB 0.444 32.985 32.600 -0.098 0.000 1.893 79 M HN -0.057 nan 8.290 nan 0.000 0.456 80 D N 4.190 124.543 120.400 -0.079 0.000 2.478 80 D HA -0.005 4.634 4.640 -0.002 0.000 0.234 80 D C 0.817 177.056 176.300 -0.102 0.000 1.154 80 D CA 0.700 54.656 54.000 -0.073 0.000 0.874 80 D CB 0.890 41.663 40.800 -0.046 0.000 1.198 80 D HN 0.805 nan 8.370 nan 0.000 0.455 81 A N 1.887 124.654 122.820 -0.089 0.000 1.969 81 A HA -0.170 4.149 4.320 -0.002 0.000 0.218 81 A C 2.083 179.631 177.584 -0.060 0.000 1.169 81 A CA 1.786 53.767 52.037 -0.093 0.000 0.635 81 A CB -0.434 18.532 19.000 -0.057 0.000 0.810 81 A HN 0.570 nan 8.150 nan 0.000 0.445 82 S N -0.475 115.200 115.700 -0.042 0.000 2.447 82 S HA -0.135 4.334 4.470 -0.002 0.000 0.233 82 S C 1.620 176.204 174.600 -0.028 0.000 1.006 82 S CA 1.290 59.474 58.200 -0.027 0.000 0.957 82 S CB -0.289 62.898 63.200 -0.022 0.000 0.773 82 S HN 0.667 nan 8.310 nan 0.000 0.507 83 E N 1.028 121.202 120.200 -0.043 0.000 2.107 83 E HA 0.028 4.377 4.350 -0.002 0.000 0.191 83 E C 2.411 178.991 176.600 -0.033 0.000 0.982 83 E CA 0.388 56.764 56.400 -0.039 0.000 0.809 83 E CB -0.014 29.661 29.700 -0.042 0.000 0.756 83 E HN 0.519 nan 8.360 nan 0.000 0.459 84 R N -0.322 120.144 120.500 -0.057 0.000 2.120 84 R HA -0.096 4.243 4.340 -0.002 0.000 0.234 84 R C 2.337 178.696 176.300 0.098 0.000 1.123 84 R CA 1.141 57.244 56.100 0.005 0.000 0.975 84 R CB -0.261 29.953 30.300 -0.143 0.000 0.866 84 R HN 0.153 nan 8.270 nan 0.000 0.446 85 G N 0.540 109.371 108.800 0.053 0.000 2.403 85 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.216 85 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.216 85 G C 1.397 176.331 174.900 0.057 0.000 1.154 85 G CA 0.040 45.185 45.100 0.075 0.000 0.784 85 G HN 0.154 nan 8.290 nan 0.000 0.538 86 R N -0.102 120.408 120.500 0.017 0.000 2.092 86 R HA 0.106 4.445 4.340 -0.002 0.000 0.231 86 R C 2.576 178.868 176.300 -0.013 0.000 1.119 86 R CA 0.495 56.596 56.100 0.001 0.000 0.970 86 R CB -0.634 29.656 30.300 -0.017 0.000 0.864 86 R HN 0.357 nan 8.270 nan 0.000 0.440 87 L N 0.684 121.867 121.223 -0.067 0.000 2.017 87 L HA -0.184 4.155 4.340 -0.002 0.000 0.208 87 L C 2.540 179.411 176.870 0.002 0.000 1.073 87 L CA 1.176 55.871 54.840 -0.242 0.000 0.745 87 L CB -0.434 41.229 42.059 -0.661 0.000 0.894 87 L HN 0.166 nan 8.230 nan 0.000 0.432 88 L N -0.482 120.862 121.223 0.201 0.000 2.017 88 L HA -0.280 4.059 4.340 -0.002 0.000 0.208 88 L C 2.158 179.155 176.870 0.211 0.000 1.073 88 L CA 1.633 56.670 54.840 0.330 0.000 0.745 88 L CB -0.483 41.757 42.059 0.302 0.000 0.894 88 L HN 0.305 nan 8.230 nan 0.000 0.432 89 D N -0.145 120.335 120.400 0.133 0.000 2.117 89 D HA -0.234 4.405 4.640 -0.002 0.000 0.197 89 D C 2.166 178.518 176.300 0.087 0.000 0.987 89 D CA 1.126 55.184 54.000 0.098 0.000 0.829 89 D CB 0.167 41.004 40.800 0.061 0.000 0.961 89 D HN 0.019 nan 8.370 nan 0.000 0.460 90 K N -0.357 120.085 120.400 0.070 0.000 2.147 90 K HA -0.109 4.210 4.320 -0.002 0.000 0.205 90 K C 1.895 178.555 176.600 0.101 0.000 1.049 90 K CA 0.645 56.968 56.287 0.060 0.000 0.936 90 K CB -0.237 32.276 32.500 0.021 0.000 0.722 90 K HN 0.113 nan 8.250 nan 0.000 0.446 91 L N 0.581 121.902 121.223 0.165 0.000 2.083 91 L HA 0.004 4.343 4.340 -0.002 0.000 0.209 91 L C 2.022 178.977 176.870 0.141 0.000 1.083 91 L CA 2.070 57.034 54.840 0.206 0.000 0.752 91 L CB -0.960 41.302 42.059 0.339 0.000 0.899 91 L HN 0.218 nan 8.230 nan 0.000 0.433 92 A N -0.905 121.992 122.820 0.129 0.000 1.930 92 A HA -0.170 4.149 4.320 -0.002 0.000 0.217 92 A C 1.974 179.599 177.584 0.068 0.000 1.175 92 A CA 1.649 53.743 52.037 0.096 0.000 0.627 92 A CB -0.661 18.398 19.000 0.099 0.000 0.815 92 A HN 0.509 nan 8.150 nan 0.000 0.443 93 D N 0.263 120.704 120.400 0.069 0.000 2.084 93 D HA -0.104 4.535 4.640 -0.002 0.000 0.196 93 D C 1.971 178.305 176.300 0.057 0.000 0.985 93 D CA 1.042 55.074 54.000 0.054 0.000 0.826 93 D CB -0.433 40.398 40.800 0.050 0.000 0.978 93 D HN 0.416 nan 8.370 nan 0.000 0.456 94 L N 0.597 121.862 121.223 0.070 0.000 2.127 94 L HA -0.153 4.186 4.340 -0.002 0.000 0.211 94 L C 2.456 179.374 176.870 0.081 0.000 1.089 94 L CA 0.555 55.440 54.840 0.076 0.000 0.757 94 L CB -0.252 41.855 42.059 0.081 0.000 0.899 94 L HN -0.042 nan 8.230 nan 0.000 0.434 95 V N -0.478 119.477 119.914 0.068 0.000 2.548 95 V HA -0.208 3.911 4.120 -0.002 0.000 0.249 95 V C 2.415 178.516 176.094 0.011 0.000 1.055 95 V CA 1.598 63.925 62.300 0.046 0.000 1.065 95 V CB -0.173 31.666 31.823 0.027 0.000 0.681 95 V HN 0.403 nan 8.190 nan 0.000 0.462 96 E N 0.860 121.066 120.200 0.011 0.000 2.072 96 E HA -0.218 4.131 4.350 -0.002 0.000 0.191 96 E C 2.346 178.958 176.600 0.021 0.000 0.985 96 E CA 1.380 57.774 56.400 -0.010 0.000 0.801 96 E CB -0.314 29.388 29.700 0.003 0.000 0.750 96 E HN 0.440 nan 8.360 nan 0.000 0.452 97 R N 0.064 120.591 120.500 0.045 0.000 2.091 97 R HA -0.137 4.202 4.340 -0.002 0.000 0.238 97 R C 0.295 176.639 176.300 0.073 0.000 1.136 97 R CA 1.869 58.006 56.100 0.062 0.000 0.959 97 R CB -0.111 30.230 30.300 0.068 0.000 0.856 97 R HN 0.140 nan 8.270 nan 0.000 0.437 98 D N -0.551 119.895 120.400 0.077 0.000 2.427 98 D HA 0.046 4.685 4.640 -0.002 0.000 0.224 98 D C 1.038 177.353 176.300 0.024 0.000 1.157 98 D CA -0.090 53.953 54.000 0.072 0.000 0.828 98 D CB 0.221 41.102 40.800 0.136 0.000 0.974 98 D HN 0.210 nan 8.370 nan 0.000 0.498 99 R N 1.322 121.840 120.500 0.031 0.000 2.112 99 R HA -0.244 4.095 4.340 -0.002 0.000 0.242 99 R C 1.918 178.290 176.300 0.121 0.000 1.137 99 R CA 1.882 57.971 56.100 -0.018 0.000 0.944 99 R CB -0.077 30.147 30.300 -0.125 0.000 0.857 99 R HN 0.163 nan 8.270 nan 0.000 0.435 100 A N -0.180 122.814 122.820 0.290 0.000 1.892 100 A HA -0.236 4.083 4.320 -0.002 0.000 0.218 100 A C 2.309 180.040 177.584 0.245 0.000 1.188 100 A CA 2.435 54.685 52.037 0.355 0.000 0.631 100 A CB -1.282 17.855 19.000 0.230 0.000 0.822 100 A HN 0.681 nan 8.150 nan 0.000 0.447 101 T N -2.218 112.380 114.554 0.073 0.000 2.951 101 T HA 0.060 4.409 4.350 -0.002 0.000 0.268 101 T C 1.801 176.431 174.700 -0.118 0.000 1.073 101 T CA 1.253 63.336 62.100 -0.027 0.000 1.134 101 T CB -0.360 68.441 68.868 -0.112 0.000 0.884 101 T HN 0.284 nan 8.240 nan 0.000 0.479 102 L N 0.591 121.715 121.223 -0.165 0.000 2.072 102 L HA 0.208 4.547 4.340 -0.002 0.000 0.205 102 L C 3.248 180.076 176.870 -0.070 0.000 1.079 102 L CA 1.130 55.839 54.840 -0.220 0.000 0.752 102 L CB -0.587 41.343 42.059 -0.214 0.000 0.906 102 L HN 0.398 nan 8.230 nan 0.000 0.436 103 A N -0.952 121.867 122.820 -0.002 0.000 2.067 103 A HA -0.154 4.165 4.320 -0.002 0.000 0.219 103 A C 2.255 179.971 177.584 0.219 0.000 1.158 103 A CA 1.963 53.999 52.037 -0.002 0.000 0.661 103 A CB -0.672 18.231 19.000 -0.163 0.000 0.801 103 A HN 0.385 nan 8.150 nan 0.000 0.452 104 T N -0.144 114.621 114.554 0.353 0.000 2.701 104 T HA -0.115 4.234 4.350 -0.002 0.000 0.263 104 T C 1.974 176.860 174.700 0.310 0.000 1.040 104 T CA 1.678 64.052 62.100 0.457 0.000 1.147 104 T CB -0.275 68.716 68.868 0.204 0.000 0.865 104 T HN 0.442 nan 8.240 nan 0.000 0.426 105 M N 0.634 120.307 119.600 0.122 0.000 2.108 105 M HA -0.124 4.355 4.480 -0.002 0.000 0.261 105 M C 2.456 178.793 176.300 0.061 0.000 1.066 105 M CA 1.505 56.843 55.300 0.063 0.000 1.107 105 M CB -0.283 32.300 32.600 -0.028 0.000 1.356 105 M HN 0.117 nan 8.290 nan 0.000 0.406 106 E N -0.213 120.014 120.200 0.046 0.000 2.110 106 E HA -0.158 4.191 4.350 -0.002 0.000 0.193 106 E C 2.022 178.647 176.600 0.041 0.000 0.988 106 E CA 1.405 57.820 56.400 0.026 0.000 0.804 106 E CB -0.063 29.640 29.700 0.005 0.000 0.745 106 E HN 0.280 nan 8.360 nan 0.000 0.458 107 S N -0.946 114.824 115.700 0.117 0.000 2.496 107 S HA 0.067 4.536 4.470 -0.002 0.000 0.224 107 S C 1.381 175.936 174.600 -0.075 0.000 0.996 107 S CA 0.187 58.438 58.200 0.085 0.000 0.927 107 S CB -0.041 63.357 63.200 0.330 0.000 0.774 107 S HN 0.316 nan 8.310 nan 0.000 0.524 108 L N 1.091 122.331 121.223 0.028 0.000 2.470 108 L HA 0.311 4.650 4.340 -0.002 0.000 0.219 108 L C 1.700 178.555 176.870 -0.025 0.000 1.071 108 L CA 0.969 55.799 54.840 -0.017 0.000 0.850 108 L CB -0.823 41.362 42.059 0.211 0.000 1.040 108 L HN 0.327 nan 8.230 nan 0.000 0.475 109 N N 0.224 118.920 118.700 -0.007 0.000 2.387 109 N HA -0.015 4.724 4.740 -0.002 0.000 0.176 109 N C 1.509 176.994 175.510 -0.041 0.000 1.022 109 N CA 1.272 54.313 53.050 -0.014 0.000 0.883 109 N CB 0.442 38.932 38.487 0.004 0.000 1.019 109 N HN 0.326 nan 8.380 nan 0.000 0.435 110 G N -1.285 107.486 108.800 -0.048 0.000 3.277 110 G HA2 0.291 4.250 3.960 -0.002 0.000 0.243 110 G HA3 0.291 4.250 3.960 -0.002 0.000 0.243 110 G C 0.651 175.480 174.900 -0.119 0.000 1.107 110 G CA 0.230 45.284 45.100 -0.075 0.000 0.771 110 G HN 0.431 nan 8.290 nan 0.000 0.544 111 G N 0.398 109.121 108.800 -0.128 0.000 2.305 111 G HA2 -0.300 3.659 3.960 -0.002 0.000 0.287 111 G HA3 -0.300 3.659 3.960 -0.002 0.000 0.287 111 G C 0.203 175.015 174.900 -0.146 0.000 1.036 111 G CA 0.669 45.667 45.100 -0.170 0.000 0.887 111 G HN 0.623 nan 8.290 nan 0.000 0.505 112 K N 0.665 121.003 120.400 -0.104 0.000 2.138 112 K HA 0.453 4.772 4.320 -0.002 0.000 0.263 112 K C -2.147 174.445 176.600 -0.013 0.000 0.965 112 K CA -2.389 53.849 56.287 -0.082 0.000 0.868 112 K CB 1.776 34.221 32.500 -0.092 0.000 1.083 112 K HN -0.021 nan 8.250 nan 0.000 0.443 113 P HA -0.119 nan 4.420 nan 0.000 0.257 113 P C 0.460 177.879 177.300 0.198 0.000 1.189 113 P CA 0.304 63.472 63.100 0.112 0.000 0.780 113 P CB 0.081 31.848 31.700 0.111 0.000 0.772 114 F N 5.318 125.350 119.950 0.135 0.000 2.063 114 F HA -0.298 4.228 4.527 -0.002 0.000 0.297 114 F C 1.972 177.911 175.800 0.231 0.000 1.099 114 F CA 1.863 59.991 58.000 0.213 0.000 1.220 114 F CB -0.631 38.554 39.000 0.309 0.000 0.972 114 F HN 0.161 nan 8.300 nan 0.000 0.487 115 L N -0.534 120.884 121.223 0.325 0.000 2.265 115 L HA -0.233 4.106 4.340 -0.002 0.000 0.215 115 L C 2.259 179.315 176.870 0.310 0.000 1.117 115 L CA 1.339 56.361 54.840 0.303 0.000 0.782 115 L CB -0.653 41.631 42.059 0.375 0.000 0.914 115 L HN 0.391 nan 8.230 nan 0.000 0.441 116 Q N -0.724 119.210 119.800 0.223 0.000 2.204 116 Q HA 0.025 4.364 4.340 -0.002 0.000 0.198 116 Q C 2.401 178.501 176.000 0.167 0.000 0.946 116 Q CA 0.951 56.904 55.803 0.249 0.000 0.859 116 Q CB -0.041 28.846 28.738 0.247 0.000 0.946 116 Q HN 0.480 nan 8.270 nan 0.000 0.474 117 A N 0.105 122.959 122.820 0.058 0.000 2.067 117 A HA -0.128 4.191 4.320 -0.002 0.000 0.219 117 A C 1.651 179.162 177.584 -0.122 0.000 1.158 117 A CA 0.803 52.830 52.037 -0.017 0.000 0.661 117 A CB -0.351 18.631 19.000 -0.030 0.000 0.801 117 A HN 0.401 nan 8.150 nan 0.000 0.452 118 F N -1.624 118.096 119.950 -0.382 0.000 2.222 118 F HA 0.093 4.619 4.527 -0.002 0.000 0.285 118 F C 1.917 177.507 175.800 -0.352 0.000 1.068 118 F CA 1.091 58.786 58.000 -0.509 0.000 1.265 118 F CB -0.090 38.416 39.000 -0.824 0.000 1.087 118 F HN 0.204 nan 8.300 nan 0.000 0.511 119 Y N 0.169 120.526 120.300 0.096 0.000 2.457 119 Y HA 0.021 4.570 4.550 -0.002 0.000 0.292 119 Y C 1.828 177.731 175.900 0.006 0.000 1.125 119 Y CA 1.091 59.226 58.100 0.058 0.000 1.254 119 Y CB -0.165 38.394 38.460 0.166 0.000 1.012 119 Y HN 0.081 nan 8.280 nan 0.000 0.555 120 I N -1.501 119.163 120.570 0.157 0.000 4.412 120 I HA -0.053 4.116 4.170 -0.002 0.000 0.236 120 I C 1.552 177.702 176.117 0.056 0.000 1.046 120 I CA 0.209 61.591 61.300 0.136 0.000 1.677 120 I CB -0.362 37.791 38.000 0.255 0.000 1.542 120 I HN -0.159 nan 8.210 nan 0.000 0.459 121 D N 1.570 122.023 120.400 0.090 0.000 2.269 121 D HA -0.256 4.382 4.640 -0.002 0.000 0.191 121 D C 1.972 178.211 176.300 -0.102 0.000 1.007 121 D CA 1.888 55.896 54.000 0.012 0.000 0.855 121 D CB -0.475 40.353 40.800 0.046 0.000 0.979 121 D HN 0.098 nan 8.370 nan 0.000 0.452 122 L N 0.238 121.366 121.223 -0.159 0.000 2.187 122 L HA -0.181 4.158 4.340 -0.002 0.000 0.213 122 L C 2.373 179.122 176.870 -0.202 0.000 1.100 122 L CA 1.307 56.015 54.840 -0.219 0.000 0.765 122 L CB -0.426 41.430 42.059 -0.338 0.000 0.904 122 L HN 0.136 nan 8.230 nan 0.000 0.437 123 Q N -0.595 119.099 119.800 -0.177 0.000 2.050 123 Q HA -0.195 4.144 4.340 -0.002 0.000 0.202 123 Q C 2.176 178.143 176.000 -0.056 0.000 0.980 123 Q CA 1.717 57.454 55.803 -0.111 0.000 0.840 123 Q CB -0.348 28.362 28.738 -0.047 0.000 0.898 123 Q HN 0.547 nan 8.270 nan 0.000 0.424 124 G N -0.206 108.562 108.800 -0.053 0.000 2.432 124 G HA2 -0.189 3.770 3.960 -0.002 0.000 0.219 124 G HA3 -0.189 3.770 3.960 -0.002 0.000 0.219 124 G C 1.406 176.269 174.900 -0.063 0.000 1.135 124 G CA 0.875 45.958 45.100 -0.029 0.000 0.767 124 G HN 0.289 nan 8.290 nan 0.000 0.550 125 V N 1.056 120.896 119.914 -0.122 0.000 2.295 125 V HA -0.150 3.969 4.120 -0.002 0.000 0.246 125 V C 2.766 178.859 176.094 -0.001 0.000 1.049 125 V CA 1.612 63.853 62.300 -0.097 0.000 1.024 125 V CB -0.351 31.407 31.823 -0.108 0.000 0.648 125 V HN 0.395 nan 8.190 nan 0.000 0.447 126 I N -0.790 119.773 120.570 -0.011 0.000 2.202 126 I HA -0.174 3.995 4.170 -0.002 0.000 0.242 126 I C 2.626 178.786 176.117 0.073 0.000 1.091 126 I CA 1.344 62.658 61.300 0.024 0.000 1.368 126 I CB -0.487 37.502 38.000 -0.018 0.000 1.058 126 I HN 0.184 nan 8.210 nan 0.000 0.410 127 K N 0.530 120.969 120.400 0.065 0.000 2.009 127 K HA -0.208 4.111 4.320 -0.002 0.000 0.210 127 K C 2.230 178.942 176.600 0.187 0.000 1.049 127 K CA 2.294 58.642 56.287 0.102 0.000 0.929 127 K CB -0.805 31.741 32.500 0.076 0.000 0.714 127 K HN 0.489 nan 8.250 nan 0.000 0.440 128 T N -0.280 114.410 114.554 0.227 0.000 2.951 128 T HA -0.034 4.315 4.350 -0.002 0.000 0.268 128 T C 2.111 177.098 174.700 0.478 0.000 1.073 128 T CA 0.618 62.962 62.100 0.408 0.000 1.134 128 T CB -0.204 68.969 68.868 0.507 0.000 0.884 128 T HN 0.066 nan 8.240 nan 0.000 0.479 129 L N -0.188 121.215 121.223 0.300 0.000 2.109 129 L HA 0.079 4.418 4.340 -0.002 0.000 0.207 129 L C 3.345 180.376 176.870 0.267 0.000 1.086 129 L CA 0.871 55.879 54.840 0.280 0.000 0.760 129 L CB -0.280 41.891 42.059 0.186 0.000 0.910 129 L HN 0.141 nan 8.230 nan 0.000 0.437 130 R N -0.985 119.643 120.500 0.214 0.000 2.073 130 R HA -0.175 4.164 4.340 -0.002 0.000 0.229 130 R C 2.148 178.539 176.300 0.152 0.000 1.120 130 R CA 1.282 57.475 56.100 0.154 0.000 0.967 130 R CB -0.755 29.615 30.300 0.116 0.000 0.862 130 R HN 0.305 nan 8.270 nan 0.000 0.436 131 Y N 0.631 120.965 120.300 0.055 0.000 2.128 131 Y HA -0.279 4.270 4.550 -0.002 0.000 0.284 131 Y C 1.857 177.703 175.900 -0.089 0.000 1.154 131 Y CA 1.578 59.639 58.100 -0.065 0.000 1.149 131 Y CB -0.540 37.857 38.460 -0.105 0.000 0.976 131 Y HN -0.019 nan 8.280 nan 0.000 0.505 132 Y N -0.500 119.920 120.300 0.200 0.000 2.373 132 Y HA -0.010 4.540 4.550 -0.001 0.000 0.293 132 Y C 2.549 178.514 175.900 0.108 0.000 1.129 132 Y CA 0.770 58.976 58.100 0.177 0.000 1.226 132 Y CB -0.886 37.720 38.460 0.243 0.000 1.000 132 Y HN 0.235 nan 8.280 nan 0.000 0.549 133 A N 0.209 123.148 122.820 0.198 0.000 1.917 133 A HA -0.189 4.130 4.320 -0.002 0.000 0.219 133 A C 2.534 180.135 177.584 0.027 0.000 1.182 133 A CA 1.914 54.028 52.037 0.128 0.000 0.633 133 A CB -1.438 17.622 19.000 0.101 0.000 0.819 133 A HN 0.452 nan 8.150 nan 0.000 0.448 134 G N -3.099 105.642 108.800 -0.098 0.000 2.679 134 G HA2 -0.118 3.841 3.960 -0.002 0.000 0.212 134 G HA3 -0.118 3.841 3.960 -0.002 0.000 0.212 134 G C 1.233 175.935 174.900 -0.331 0.000 1.137 134 G CA 0.554 45.508 45.100 -0.245 0.000 0.787 134 G HN 0.682 nan 8.290 nan 0.000 0.534 135 W N 0.025 121.189 121.300 -0.225 0.000 2.704 135 W HA 0.330 4.989 4.660 -0.001 0.000 0.266 135 W C 2.687 179.132 176.519 -0.123 0.000 1.266 135 W CA 0.192 57.408 57.345 -0.216 0.000 1.377 135 W CB 0.361 29.684 29.460 -0.229 0.000 1.082 135 W HN 0.201 nan 8.180 nan 0.000 0.608 136 A N 1.260 124.191 122.820 0.186 0.000 1.971 136 A HA -0.317 4.002 4.320 -0.002 0.000 0.222 136 A C 1.254 178.862 177.584 0.040 0.000 1.182 136 A CA 2.574 54.672 52.037 0.101 0.000 0.649 136 A CB -0.936 18.106 19.000 0.070 0.000 0.818 136 A HN 0.399 nan 8.150 nan 0.000 0.458 137 D N -2.273 118.140 120.400 0.021 0.000 2.463 137 D HA 0.191 4.830 4.640 -0.002 0.000 0.224 137 D C 0.508 176.806 176.300 -0.004 0.000 1.174 137 D CA 0.049 54.050 54.000 0.003 0.000 0.829 137 D CB 0.023 40.823 40.800 -0.001 0.000 0.993 137 D HN 0.439 nan 8.370 nan 0.000 0.497 138 K N 0.298 120.680 120.400 -0.030 0.000 2.592 138 K HA 0.326 4.645 4.320 -0.002 0.000 0.203 138 K C -0.131 176.181 176.600 -0.480 0.000 1.070 138 K CA -0.300 55.880 56.287 -0.178 0.000 1.062 138 K CB 1.170 33.644 32.500 -0.043 0.000 0.814 138 K HN 0.126 nan 8.250 nan 0.000 0.502 139 I N 2.329 122.676 120.570 -0.372 0.000 2.282 139 I HA 0.130 4.299 4.170 -0.002 0.000 0.290 139 I C -0.368 175.503 176.117 -0.411 0.000 1.090 139 I CA -0.483 60.590 61.300 -0.378 0.000 1.231 139 I CB 0.182 38.077 38.000 -0.175 0.000 1.434 139 I HN 0.173 nan 8.210 nan 0.000 0.487 140 H N 3.243 122.228 119.070 -0.143 0.000 2.502 140 H HA 0.675 5.230 4.556 -0.002 0.000 0.338 140 H C 0.604 175.836 175.328 -0.160 0.000 1.155 140 H CA -0.725 55.260 56.048 -0.105 0.000 1.237 140 H CB 1.336 31.074 29.762 -0.040 0.000 1.534 140 H HN 0.573 nan 8.280 nan 0.000 0.523 141 G N 0.311 109.222 108.800 0.186 0.000 2.671 141 G HA2 0.594 4.553 3.960 -0.002 0.000 0.275 141 G HA3 0.594 4.553 3.960 -0.002 0.000 0.275 141 G C -0.664 174.344 174.900 0.180 0.000 1.368 141 G CA -1.023 44.239 45.100 0.271 0.000 1.044 141 G HN 0.658 nan 8.290 nan 0.000 0.543 142 M N -1.172 118.529 119.600 0.169 0.000 2.664 142 M HA 0.603 5.082 4.480 -0.002 0.000 0.279 142 M C -0.862 175.516 176.300 0.130 0.000 1.275 142 M CA -0.949 54.425 55.300 0.122 0.000 0.829 142 M CB 2.055 34.712 32.600 0.095 0.000 1.727 142 M HN 0.509 nan 8.290 nan 0.000 0.459 143 T N 0.241 114.869 114.554 0.123 0.000 2.771 143 T HA 0.727 5.076 4.350 -0.002 0.000 0.281 143 T C -0.409 174.356 174.700 0.109 0.000 0.982 143 T CA -0.693 61.498 62.100 0.150 0.000 0.978 143 T CB 0.728 69.751 68.868 0.260 0.000 0.930 143 T HN 0.572 nan 8.240 nan 0.000 0.447 144 I N 4.651 125.261 120.570 0.067 0.000 2.378 144 I HA 0.383 4.551 4.170 -0.002 0.000 0.291 144 I C -2.265 173.901 176.117 0.081 0.000 0.992 144 I CA -2.909 58.423 61.300 0.054 0.000 1.154 144 I CB 1.605 39.610 38.000 0.009 0.000 1.315 144 I HN 0.489 nan 8.210 nan 0.000 0.448 145 P HA 0.242 nan 4.420 nan 0.000 0.281 145 P C -0.558 176.792 177.300 0.082 0.000 1.286 145 P CA -0.061 63.098 63.100 0.099 0.000 0.772 145 P CB 1.454 33.201 31.700 0.078 0.000 0.862 146 V N 3.838 123.816 119.914 0.106 0.000 2.667 146 V HA 0.200 4.319 4.120 -0.002 0.000 0.308 146 V C 0.504 176.676 176.094 0.130 0.000 1.048 146 V CA -0.625 61.736 62.300 0.102 0.000 0.928 146 V CB 1.777 33.660 31.823 0.102 0.000 1.004 146 V HN 0.469 nan 8.190 nan 0.000 0.444 147 D N 2.379 122.846 120.400 0.112 0.000 2.400 147 D HA 0.440 5.079 4.640 -0.002 0.000 0.238 147 D C 0.628 177.039 176.300 0.185 0.000 1.157 147 D CA 1.756 55.823 54.000 0.112 0.000 0.889 147 D CB 0.959 41.811 40.800 0.086 0.000 1.199 147 D HN 1.064 nan 8.370 nan 0.000 0.436 148 G N 1.655 110.514 108.800 0.097 0.000 2.795 148 G HA2 -0.197 3.762 3.960 -0.002 0.000 0.664 148 G HA3 -0.197 3.762 3.960 -0.002 0.000 0.664 148 G C -0.593 174.211 174.900 -0.160 0.000 1.381 148 G CA -0.744 44.353 45.100 -0.006 0.000 0.853 148 G HN 0.522 nan 8.290 nan 0.000 0.545 149 D N 1.099 121.232 120.400 -0.445 0.000 2.671 149 D HA 0.387 5.026 4.640 -0.002 0.000 0.228 149 D C -0.094 175.884 176.300 -0.537 0.000 1.102 149 D CA 1.126 54.892 54.000 -0.390 0.000 1.044 149 D CB -0.308 40.299 40.800 -0.321 0.000 1.113 149 D HN 0.310 nan 8.370 nan 0.000 0.480 150 Y N -0.137 120.211 120.300 0.081 0.000 2.638 150 Y HA 0.512 5.061 4.550 -0.001 0.000 0.339 150 Y C -0.609 175.415 175.900 0.206 0.000 1.084 150 Y CA -1.590 56.575 58.100 0.110 0.000 1.068 150 Y CB 1.495 39.989 38.460 0.056 0.000 1.294 150 Y HN -0.048 nan 8.280 nan 0.000 0.480 151 F N 1.844 121.934 119.950 0.233 0.000 2.671 151 F HA 0.566 5.092 4.527 -0.001 0.000 0.332 151 F C -0.882 175.008 175.800 0.149 0.000 1.189 151 F CA -0.825 57.279 58.000 0.173 0.000 0.988 151 F CB 1.022 40.124 39.000 0.171 0.000 1.258 151 F HN 0.449 nan 8.300 nan 0.000 0.471 152 T N 4.263 118.608 114.554 -0.348 0.000 2.856 152 T HA 0.836 5.185 4.350 -0.002 0.000 0.283 152 T C -0.950 173.444 174.700 -0.510 0.000 1.008 152 T CA -0.430 61.377 62.100 -0.488 0.000 0.997 152 T CB 1.533 70.242 68.868 -0.265 0.000 0.992 152 T HN 0.635 nan 8.240 nan 0.000 0.454 153 F N -0.336 119.319 119.950 -0.491 0.000 2.643 153 F HA 0.865 5.391 4.527 -0.001 0.000 0.314 153 F C -0.434 175.271 175.800 -0.159 0.000 1.096 153 F CA -1.011 56.801 58.000 -0.314 0.000 0.953 153 F CB 1.337 40.131 39.000 -0.343 0.000 1.345 153 F HN 0.828 nan 8.300 nan 0.000 0.468 154 T N -0.776 113.885 114.554 0.178 0.000 2.916 154 T HA 0.773 5.122 4.350 -0.002 0.000 0.292 154 T C -1.021 173.823 174.700 0.241 0.000 1.055 154 T CA -1.043 61.117 62.100 0.101 0.000 1.009 154 T CB 2.163 71.060 68.868 0.047 0.000 1.118 154 T HN 0.902 nan 8.240 nan 0.000 0.497 155 R N 0.597 121.196 120.500 0.166 0.000 2.575 155 R HA 0.377 4.716 4.340 -0.002 0.000 0.293 155 R C -1.347 175.038 176.300 0.142 0.000 0.983 155 R CA -0.856 55.361 56.100 0.194 0.000 0.887 155 R CB 1.401 31.802 30.300 0.168 0.000 1.184 155 R HN 0.695 nan 8.270 nan 0.000 0.445 156 H N 1.745 120.845 119.070 0.049 0.000 2.820 156 H HA 0.161 4.716 4.556 -0.001 0.000 0.278 156 H C -0.341 175.008 175.328 0.035 0.000 1.142 156 H CA 0.071 56.135 56.048 0.027 0.000 1.346 156 H CB 0.506 30.270 29.762 0.003 0.000 1.438 156 H HN 0.332 nan 8.280 nan 0.000 0.473 157 E N 4.593 124.848 120.200 0.092 0.000 2.232 157 E HA 0.266 4.615 4.350 -0.002 0.000 0.265 157 E C -2.379 174.297 176.600 0.126 0.000 1.001 157 E CA -2.240 54.222 56.400 0.103 0.000 0.870 157 E CB 1.157 30.910 29.700 0.088 0.000 1.175 157 E HN 0.401 nan 8.360 nan 0.000 0.407 158 P HA 0.095 nan 4.420 nan 0.000 0.279 158 P C 0.464 177.880 177.300 0.194 0.000 1.239 158 P CA 0.074 63.296 63.100 0.205 0.000 0.789 158 P CB 1.010 32.894 31.700 0.307 0.000 0.933 159 I N 1.075 121.683 120.570 0.063 0.000 2.127 159 I HA -0.140 4.029 4.170 -0.002 0.000 0.241 159 I C 1.766 177.796 176.117 -0.145 0.000 1.075 159 I CA 2.455 63.751 61.300 -0.006 0.000 1.334 159 I CB -0.709 37.266 38.000 -0.041 0.000 1.040 159 I HN 0.684 nan 8.210 nan 0.000 0.405 160 G N -0.553 107.916 108.800 -0.552 0.000 1.930 160 G HA2 -0.104 3.855 3.960 -0.002 0.000 0.054 160 G HA3 -0.104 3.855 3.960 -0.002 0.000 0.054 160 G C -0.801 173.606 174.900 -0.822 0.000 0.902 160 G CA -0.315 43.955 45.100 -1.383 0.000 1.168 160 G HN -0.071 nan 8.290 nan 0.000 0.383 161 V N 1.502 121.171 119.914 -0.409 0.000 2.385 161 V HA 0.492 4.611 4.120 -0.002 0.000 0.269 161 V C 0.107 176.123 176.094 -0.130 0.000 1.043 161 V CA -0.367 61.798 62.300 -0.224 0.000 0.906 161 V CB 0.496 32.235 31.823 -0.139 0.000 0.995 161 V HN 0.751 nan 8.190 nan 0.000 0.467 162 C N 4.335 123.580 119.300 -0.092 0.000 2.355 162 C HA 0.802 5.261 4.460 -0.002 0.000 0.332 162 C C 0.898 175.875 174.990 -0.021 0.000 1.255 162 C CA -0.804 58.206 59.018 -0.013 0.000 1.792 162 C CB 0.777 28.576 27.740 0.099 0.000 2.300 162 C HN 0.992 nan 8.230 nan 0.000 0.515 163 G N 2.419 111.221 108.800 0.002 0.000 2.372 163 G HA2 0.610 4.569 3.960 -0.002 0.000 0.323 163 G HA3 0.610 4.569 3.960 -0.002 0.000 0.323 163 G C -1.175 173.745 174.900 0.034 0.000 1.152 163 G CA -0.171 44.932 45.100 0.004 0.000 0.906 163 G HN 0.781 nan 8.290 nan 0.000 0.460 164 Q N 0.769 120.579 119.800 0.017 0.000 2.375 164 Q HA 0.597 4.936 4.340 -0.002 0.000 0.271 164 Q C -0.988 175.030 176.000 0.029 0.000 1.074 164 Q CA -0.592 55.224 55.803 0.022 0.000 0.808 164 Q CB 3.111 31.830 28.738 -0.031 0.000 1.327 164 Q HN 0.502 nan 8.270 nan 0.000 0.441 165 I N 4.235 124.822 120.570 0.028 0.000 2.500 165 I HA 0.407 4.576 4.170 -0.002 0.000 0.286 165 I C -0.632 175.389 176.117 -0.160 0.000 1.063 165 I CA -0.821 60.484 61.300 0.008 0.000 1.062 165 I CB 1.346 39.443 38.000 0.162 0.000 1.223 165 I HN 0.525 nan 8.210 nan 0.000 0.435 166 I N 5.436 125.939 120.570 -0.112 0.000 2.957 166 I HA 0.761 4.930 4.170 -0.002 0.000 0.310 166 I C -2.791 173.237 176.117 -0.148 0.000 1.063 166 I CA -2.337 58.867 61.300 -0.161 0.000 1.033 166 I CB 1.740 39.723 38.000 -0.029 0.000 1.230 166 I HN 0.210 nan 8.210 nan 0.000 0.447 167 P HA 0.227 nan 4.420 nan 0.000 0.323 167 P C 0.131 177.338 177.300 -0.155 0.000 1.309 167 P CA 0.061 62.993 63.100 -0.279 0.000 0.739 167 P CB 0.695 32.104 31.700 -0.484 0.000 1.454 168 W N -1.798 119.484 121.300 -0.029 0.000 3.127 168 W HA 0.255 4.914 4.660 -0.002 0.000 0.344 168 W C 0.848 177.307 176.519 -0.100 0.000 1.151 168 W CA -0.296 57.019 57.345 -0.050 0.000 1.765 168 W CB -1.378 28.040 29.460 -0.071 0.000 1.085 168 W HN 0.100 nan 8.180 nan 0.000 0.596 169 N N 1.657 120.139 118.700 -0.363 0.000 2.104 169 N HA -0.154 4.585 4.740 -0.002 0.000 0.190 169 N C -0.520 174.665 175.510 -0.542 0.000 1.024 169 N CA 1.479 54.298 53.050 -0.386 0.000 0.853 169 N CB -0.360 37.899 38.487 -0.380 0.000 1.008 169 N HN 0.107 nan 8.380 nan 0.000 0.424 170 F N -1.012 118.956 119.950 0.030 0.000 2.971 170 F HA 0.323 4.849 4.527 -0.002 0.000 0.373 170 F C -1.975 173.817 175.800 -0.013 0.000 1.288 170 F CA -1.570 56.438 58.000 0.013 0.000 1.204 170 F CB 2.007 41.013 39.000 0.010 0.000 1.852 170 F HN -0.187 nan 8.300 nan 0.000 0.624 171 P HA -0.266 nan 4.420 nan 0.000 0.214 171 P C 1.995 179.332 177.300 0.062 0.000 1.172 171 P CA 1.357 64.511 63.100 0.089 0.000 0.925 171 P CB 0.441 32.178 31.700 0.062 0.000 0.793 172 L N -1.460 119.761 121.223 -0.003 0.000 2.005 172 L HA -0.107 4.232 4.340 -0.002 0.000 0.207 172 L C 2.422 179.246 176.870 -0.076 0.000 1.072 172 L CA 1.619 56.422 54.840 -0.062 0.000 0.744 172 L CB -1.409 40.586 42.059 -0.107 0.000 0.895 172 L HN -0.107 nan 8.230 nan 0.000 0.433 173 L N -1.488 119.607 121.223 -0.214 0.000 1.971 173 L HA -0.327 4.012 4.340 -0.002 0.000 0.215 173 L C 2.613 179.153 176.870 -0.550 0.000 1.072 173 L CA 1.693 56.142 54.840 -0.652 0.000 0.758 173 L CB -0.394 41.079 42.059 -0.977 0.000 0.889 173 L HN 0.342 nan 8.230 nan 0.000 0.433 174 M N -1.041 118.480 119.600 -0.131 0.000 2.088 174 M HA -0.307 4.172 4.480 -0.002 0.000 0.256 174 M C 2.303 178.707 176.300 0.172 0.000 1.071 174 M CA 1.886 57.299 55.300 0.189 0.000 1.097 174 M CB -1.584 31.131 32.600 0.191 0.000 1.315 174 M HN 0.243 nan 8.290 nan 0.000 0.406 175 F N 1.272 121.205 119.950 -0.028 0.000 2.095 175 F HA -0.218 4.309 4.527 -0.002 0.000 0.298 175 F C 2.221 177.988 175.800 -0.055 0.000 1.104 175 F CA 2.118 60.097 58.000 -0.036 0.000 1.232 175 F CB -0.700 38.273 39.000 -0.046 0.000 0.987 175 F HN 0.167 nan 8.300 nan 0.000 0.475 176 T N -0.227 114.467 114.554 0.233 0.000 2.701 176 T HA -0.221 4.128 4.350 -0.002 0.000 0.263 176 T C 1.664 176.383 174.700 0.031 0.000 1.040 176 T CA 1.535 63.687 62.100 0.087 0.000 1.147 176 T CB -0.728 68.136 68.868 -0.006 0.000 0.865 176 T HN 0.393 nan 8.240 nan 0.000 0.426 177 W N 2.031 123.327 121.300 -0.007 0.000 2.341 177 W HA 0.019 4.678 4.660 -0.002 0.000 0.283 177 W C 2.166 178.597 176.519 -0.146 0.000 1.215 177 W CA 0.669 57.985 57.345 -0.048 0.000 1.211 177 W CB -0.527 28.929 29.460 -0.006 0.000 1.131 177 W HN 0.352 nan 8.180 nan 0.000 0.552 178 K N -1.310 119.119 120.400 0.050 0.000 2.284 178 K HA -0.016 4.303 4.320 -0.002 0.000 0.198 178 K C 1.849 178.254 176.600 -0.324 0.000 1.048 178 K CA 0.181 56.410 56.287 -0.097 0.000 0.987 178 K CB -0.046 32.422 32.500 -0.053 0.000 0.800 178 K HN -0.074 nan 8.250 nan 0.000 0.486 179 I N 1.282 121.613 120.570 -0.398 0.000 2.406 179 I HA -0.109 4.060 4.170 -0.002 0.000 0.249 179 I C 2.254 178.145 176.117 -0.377 0.000 1.122 179 I CA 0.889 61.895 61.300 -0.489 0.000 1.431 179 I CB -0.787 36.784 38.000 -0.716 0.000 1.087 179 I HN 0.028 nan 8.210 nan 0.000 0.424 180 A N 1.890 124.532 122.820 -0.297 0.000 1.845 180 A HA -0.127 4.192 4.320 -0.002 0.000 0.215 180 A C 0.025 177.351 177.584 -0.430 0.000 1.195 180 A CA 1.740 53.625 52.037 -0.254 0.000 0.616 180 A CB -2.101 16.797 19.000 -0.171 0.000 0.832 180 A HN 0.256 nan 8.150 nan 0.000 0.443 181 P HA -0.139 nan 4.420 nan 0.000 0.215 181 P C 1.752 178.748 177.300 -0.507 0.000 1.153 181 P CA 2.076 64.796 63.100 -0.632 0.000 0.853 181 P CB -0.140 31.264 31.700 -0.493 0.000 0.788 182 A N -0.723 121.539 122.820 -0.931 0.000 1.877 182 A HA -0.168 4.151 4.320 -0.002 0.000 0.216 182 A C 2.244 179.687 177.584 -0.236 0.000 1.186 182 A CA 1.505 52.998 52.037 -0.906 0.000 0.620 182 A CB -1.655 16.725 19.000 -1.034 0.000 0.822 182 A HN 0.106 nan 8.150 nan 0.000 0.443 183 L N -0.942 120.201 121.223 -0.134 0.000 2.056 183 L HA -0.199 4.140 4.340 -0.002 0.000 0.207 183 L C 2.827 179.866 176.870 0.282 0.000 1.078 183 L CA 1.248 56.203 54.840 0.192 0.000 0.749 183 L CB -0.647 41.493 42.059 0.135 0.000 0.901 183 L HN 0.683 nan 8.230 nan 0.000 0.433 184 C N -0.235 119.148 119.300 0.138 0.000 2.413 184 C HA -0.222 4.237 4.460 -0.002 0.000 0.277 184 C C 2.851 177.907 174.990 0.111 0.000 1.265 184 C CA 0.871 59.987 59.018 0.164 0.000 1.752 184 C CB -1.010 26.859 27.740 0.214 0.000 1.998 184 C HN 0.697 nan 8.230 nan 0.000 0.489 185 C N 0.645 119.998 119.300 0.088 0.000 2.626 185 C HA 0.387 4.846 4.460 -0.002 0.000 0.266 185 C C 2.069 177.116 174.990 0.095 0.000 1.317 185 C CA 0.813 59.885 59.018 0.089 0.000 1.716 185 C CB -1.484 26.332 27.740 0.127 0.000 1.819 185 C HN 0.962 nan 8.230 nan 0.000 0.578 186 G N 1.227 110.101 108.800 0.123 0.000 2.159 186 G HA2 -0.194 3.765 3.960 -0.002 0.000 0.227 186 G HA3 -0.194 3.765 3.960 -0.002 0.000 0.227 186 G C -0.141 175.037 174.900 0.463 0.000 0.986 186 G CA -0.230 44.935 45.100 0.109 0.000 0.651 186 G HN 0.496 nan 8.290 nan 0.000 0.523 187 N N 0.955 119.857 118.700 0.336 0.000 2.381 187 N HA 0.486 5.225 4.740 -0.002 0.000 0.254 187 N C 0.498 176.140 175.510 0.220 0.000 1.264 187 N CA 1.002 54.149 53.050 0.161 0.000 0.942 187 N CB 0.747 39.260 38.487 0.044 0.000 1.190 187 N HN 0.521 nan 8.380 nan 0.000 0.495 188 T N -2.484 112.058 114.554 -0.021 0.000 2.888 188 T HA 0.642 4.991 4.350 -0.002 0.000 0.284 188 T C -0.013 174.604 174.700 -0.139 0.000 1.017 188 T CA -0.776 61.267 62.100 -0.096 0.000 1.022 188 T CB 1.265 70.090 68.868 -0.073 0.000 1.013 188 T HN 0.115 nan 8.240 nan 0.000 0.465 189 V N 1.397 121.207 119.914 -0.173 0.000 2.864 189 V HA 0.693 4.812 4.120 -0.002 0.000 0.314 189 V C -0.575 175.440 176.094 -0.133 0.000 1.073 189 V CA -0.891 61.313 62.300 -0.159 0.000 0.956 189 V CB 2.211 33.904 31.823 -0.217 0.000 1.023 189 V HN 0.859 nan 8.190 nan 0.000 0.435 190 V N 4.539 124.392 119.914 -0.102 0.000 2.454 190 V HA 0.435 4.554 4.120 -0.002 0.000 0.267 190 V C -0.462 175.605 176.094 -0.044 0.000 0.993 190 V CA -0.088 62.169 62.300 -0.071 0.000 0.836 190 V CB 1.253 33.028 31.823 -0.080 0.000 1.055 190 V HN 0.741 nan 8.190 nan 0.000 0.452 191 I N 3.612 124.160 120.570 -0.036 0.000 2.392 191 I HA 0.593 4.762 4.170 -0.002 0.000 0.295 191 I C -0.277 175.873 176.117 0.056 0.000 0.985 191 I CA -0.442 60.849 61.300 -0.016 0.000 1.221 191 I CB 1.252 39.192 38.000 -0.099 0.000 1.366 191 I HN 0.326 nan 8.210 nan 0.000 0.467 192 K N 9.423 129.859 120.400 0.060 0.000 2.464 192 K HA 0.505 4.824 4.320 -0.002 0.000 0.252 192 K C -2.662 173.989 176.600 0.085 0.000 1.000 192 K CA -2.096 54.237 56.287 0.078 0.000 0.951 192 K CB 1.439 33.977 32.500 0.064 0.000 1.183 192 K HN 0.359 nan 8.250 nan 0.000 0.445 193 P HA 0.061 nan 4.420 nan 0.000 0.273 193 P C -0.298 177.052 177.300 0.082 0.000 1.250 193 P CA -0.376 62.797 63.100 0.121 0.000 0.793 193 P CB 0.578 32.368 31.700 0.151 0.000 1.011 194 A N 1.472 124.345 122.820 0.089 0.000 2.492 194 A HA 0.008 4.327 4.320 -0.002 0.000 0.236 194 A C 1.619 179.238 177.584 0.059 0.000 1.078 194 A CA -0.053 52.041 52.037 0.095 0.000 0.773 194 A CB -0.266 18.848 19.000 0.189 0.000 1.023 194 A HN 0.693 nan 8.150 nan 0.000 0.504 195 E N 0.782 120.967 120.200 -0.024 0.000 2.208 195 E HA -0.211 4.138 4.350 -0.002 0.000 0.193 195 E C 1.139 177.778 176.600 0.065 0.000 0.988 195 E CA 1.273 57.559 56.400 -0.190 0.000 0.828 195 E CB -0.227 29.120 29.700 -0.588 0.000 0.763 195 E HN 0.850 nan 8.360 nan 0.000 0.478 196 Q N 1.474 121.320 119.800 0.078 0.000 2.403 196 Q HA 0.012 4.351 4.340 -0.002 0.000 0.203 196 Q C 0.387 176.429 176.000 0.070 0.000 0.932 196 Q CA 0.997 56.837 55.803 0.061 0.000 0.945 196 Q CB 0.172 28.875 28.738 -0.059 0.000 1.045 196 Q HN 0.250 nan 8.270 nan 0.000 0.511 197 T N -1.909 112.712 114.554 0.112 0.000 3.686 197 T HA 0.299 4.648 4.350 -0.002 0.000 0.248 197 T C -2.511 172.245 174.700 0.092 0.000 1.090 197 T CA -0.919 61.236 62.100 0.092 0.000 1.659 197 T CB 1.484 70.418 68.868 0.110 0.000 0.780 197 T HN -0.055 nan 8.240 nan 0.000 0.632 198 P HA 0.252 nan 4.420 nan 0.000 0.245 198 P C 1.663 178.994 177.300 0.052 0.000 1.199 198 P CA -0.214 62.946 63.100 0.099 0.000 0.807 198 P CB 0.446 32.246 31.700 0.167 0.000 1.002 199 L N 1.241 122.484 121.223 0.032 0.000 1.951 199 L HA -0.246 4.093 4.340 -0.002 0.000 0.222 199 L C 2.869 179.748 176.870 0.015 0.000 1.078 199 L CA 2.779 57.636 54.840 0.029 0.000 0.778 199 L CB -1.944 40.126 42.059 0.018 0.000 0.893 199 L HN 0.099 nan 8.230 nan 0.000 0.436 200 S N 0.075 115.755 115.700 -0.035 0.000 2.387 200 S HA -0.251 4.218 4.470 -0.002 0.000 0.230 200 S C 2.073 176.542 174.600 -0.217 0.000 1.035 200 S CA 1.127 59.268 58.200 -0.100 0.000 1.014 200 S CB -0.661 62.467 63.200 -0.120 0.000 0.836 200 S HN 0.425 nan 8.310 nan 0.000 0.466 201 A N 2.372 125.037 122.820 -0.259 0.000 1.841 201 A HA 0.145 4.464 4.320 -0.002 0.000 0.214 201 A C 2.379 179.766 177.584 -0.328 0.000 1.195 201 A CA 1.477 53.201 52.037 -0.523 0.000 0.611 201 A CB -1.061 17.831 19.000 -0.179 0.000 0.835 201 A HN 0.517 nan 8.150 nan 0.000 0.443 202 L N -2.016 119.176 121.223 -0.053 0.000 2.081 202 L HA -0.264 4.075 4.340 -0.002 0.000 0.212 202 L C 2.602 179.479 176.870 0.011 0.000 1.080 202 L CA 2.052 56.950 54.840 0.097 0.000 0.754 202 L CB -0.655 41.533 42.059 0.214 0.000 0.893 202 L HN 0.618 nan 8.230 nan 0.000 0.433 203 Y N 0.021 120.226 120.300 -0.158 0.000 2.114 203 Y HA -0.308 4.241 4.550 -0.002 0.000 0.284 203 Y C 2.709 178.410 175.900 -0.332 0.000 1.143 203 Y CA 1.644 59.597 58.100 -0.246 0.000 1.135 203 Y CB -0.062 38.311 38.460 -0.146 0.000 0.980 203 Y HN 0.034 nan 8.280 nan 0.000 0.499 204 M N -0.126 119.361 119.600 -0.188 0.000 2.260 204 M HA -0.199 4.280 4.480 -0.002 0.000 0.261 204 M C 2.325 178.407 176.300 -0.364 0.000 1.066 204 M CA 1.462 56.603 55.300 -0.265 0.000 1.082 204 M CB -1.902 30.402 32.600 -0.492 0.000 1.388 204 M HN 0.511 nan 8.290 nan 0.000 0.419 205 G N -0.054 108.432 108.800 -0.522 0.000 2.418 205 G HA2 -0.095 3.864 3.960 -0.002 0.000 0.217 205 G HA3 -0.095 3.864 3.960 -0.002 0.000 0.217 205 G C 1.672 175.969 174.900 -1.006 0.000 1.158 205 G CA 1.178 45.624 45.100 -1.090 0.000 0.771 205 G HN 0.552 nan 8.290 nan 0.000 0.545 206 A N 0.579 123.016 122.820 -0.638 0.000 1.898 206 A HA 0.117 4.436 4.320 -0.002 0.000 0.216 206 A C 2.441 179.838 177.584 -0.312 0.000 1.181 206 A CA 1.225 52.984 52.037 -0.462 0.000 0.620 206 A CB -0.373 18.023 19.000 -1.007 0.000 0.819 206 A HN 0.349 nan 8.150 nan 0.000 0.442 207 L N -0.605 120.421 121.223 -0.329 0.000 2.046 207 L HA -0.181 4.158 4.340 -0.002 0.000 0.208 207 L C 2.498 179.368 176.870 0.000 0.000 1.077 207 L CA 1.317 56.084 54.840 -0.121 0.000 0.747 207 L CB -0.693 41.333 42.059 -0.055 0.000 0.896 207 L HN 0.365 nan 8.230 nan 0.000 0.432 208 I N 0.174 120.721 120.570 -0.039 0.000 2.208 208 I HA -0.345 3.824 4.170 -0.002 0.000 0.245 208 I C 2.766 179.030 176.117 0.245 0.000 1.097 208 I CA 1.540 62.900 61.300 0.100 0.000 1.363 208 I CB -0.333 37.584 38.000 -0.138 0.000 1.051 208 I HN 0.276 nan 8.210 nan 0.000 0.413 209 K N 1.100 121.577 120.400 0.129 0.000 2.057 209 K HA -0.244 4.075 4.320 -0.002 0.000 0.206 209 K C 2.135 178.812 176.600 0.128 0.000 1.050 209 K CA 1.653 58.048 56.287 0.180 0.000 0.935 209 K CB -0.089 32.539 32.500 0.213 0.000 0.715 209 K HN 0.281 nan 8.250 nan 0.000 0.439 210 E N 0.075 120.325 120.200 0.084 0.000 2.077 210 E HA -0.199 4.150 4.350 -0.002 0.000 0.193 210 E C 1.725 178.368 176.600 0.073 0.000 0.989 210 E CA 1.133 57.574 56.400 0.067 0.000 0.800 210 E CB -0.167 29.555 29.700 0.038 0.000 0.746 210 E HN 0.432 nan 8.360 nan 0.000 0.452 211 A N -0.057 122.825 122.820 0.104 0.000 2.019 211 A HA -0.009 4.310 4.320 -0.002 0.000 0.219 211 A C 1.922 179.502 177.584 -0.007 0.000 1.164 211 A CA 1.689 53.772 52.037 0.076 0.000 0.644 211 A CB -0.530 18.566 19.000 0.160 0.000 0.805 211 A HN 0.592 nan 8.150 nan 0.000 0.449 212 G N -3.332 105.485 108.800 0.028 0.000 2.183 212 G HA2 -0.132 3.827 3.960 -0.002 0.000 0.168 212 G HA3 -0.132 3.827 3.960 -0.002 0.000 0.168 212 G C -0.026 174.842 174.900 -0.053 0.000 1.008 212 G CA -0.253 44.831 45.100 -0.027 0.000 0.677 212 G HN 0.253 nan 8.290 nan 0.000 0.498 213 F N 2.194 122.157 119.950 0.022 0.000 2.578 213 F HA 0.387 4.913 4.527 -0.002 0.000 0.376 213 F C -1.165 174.596 175.800 -0.065 0.000 1.085 213 F CA -1.138 56.838 58.000 -0.040 0.000 1.260 213 F CB 0.454 39.387 39.000 -0.111 0.000 1.095 213 F HN -0.077 nan 8.300 nan 0.000 0.573 214 P HA 0.035 nan 4.420 nan 0.000 0.269 214 P C -2.471 174.805 177.300 -0.040 0.000 1.209 214 P CA -1.022 62.099 63.100 0.035 0.000 0.776 214 P CB -0.167 31.586 31.700 0.087 0.000 0.876 215 P HA -0.030 nan 4.420 nan 0.000 0.263 215 P C 0.799 178.014 177.300 -0.142 0.000 1.195 215 P CA 1.042 64.073 63.100 -0.115 0.000 0.762 215 P CB 0.118 31.761 31.700 -0.096 0.000 0.799 216 G N 2.073 110.749 108.800 -0.207 0.000 2.194 216 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.236 216 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.236 216 G C 0.754 175.525 174.900 -0.215 0.000 0.987 216 G CA 0.102 45.087 45.100 -0.192 0.000 0.635 216 G HN 0.378 nan 8.290 nan 0.000 0.520 217 V N -0.267 119.470 119.914 -0.295 0.000 2.548 217 V HA 0.184 4.303 4.120 -0.002 0.000 0.249 217 V C 1.294 177.172 176.094 -0.361 0.000 1.055 217 V CA 1.829 63.851 62.300 -0.464 0.000 1.065 217 V CB 0.301 31.638 31.823 -0.811 0.000 0.681 217 V HN 0.413 nan 8.190 nan 0.000 0.462 218 V N 0.957 120.713 119.914 -0.262 0.000 2.760 218 V HA 0.497 4.616 4.120 -0.002 0.000 0.309 218 V C -1.047 175.019 176.094 -0.046 0.000 1.077 218 V CA -0.821 61.373 62.300 -0.177 0.000 0.910 218 V CB 2.138 33.835 31.823 -0.210 0.000 1.008 218 V HN 0.397 nan 8.190 nan 0.000 0.424 219 N N 4.693 123.376 118.700 -0.028 0.000 2.480 219 N HA 0.554 5.293 4.740 -0.002 0.000 0.289 219 N C -1.284 174.282 175.510 0.095 0.000 1.073 219 N CA -0.383 52.673 53.050 0.009 0.000 0.885 219 N CB 2.811 41.243 38.487 -0.092 0.000 1.421 219 N HN 0.544 nan 8.380 nan 0.000 0.503 220 I N 2.565 123.268 120.570 0.221 0.000 2.328 220 I HA 0.313 4.482 4.170 -0.002 0.000 0.287 220 I C -0.663 175.563 176.117 0.181 0.000 1.012 220 I CA -0.701 60.724 61.300 0.208 0.000 1.195 220 I CB 0.735 38.879 38.000 0.241 0.000 1.350 220 I HN 0.184 nan 8.210 nan 0.000 0.464 221 L N 9.160 130.465 121.223 0.137 0.000 2.337 221 L HA 0.441 4.780 4.340 -0.002 0.000 0.269 221 L C -2.157 174.796 176.870 0.138 0.000 1.018 221 L CA -1.436 53.482 54.840 0.130 0.000 0.876 221 L CB 0.751 42.860 42.059 0.084 0.000 1.236 221 L HN 0.356 nan 8.230 nan 0.000 0.436 222 P HA 0.536 nan 4.420 nan 0.000 0.274 222 P C 0.087 177.469 177.300 0.137 0.000 1.231 222 P CA 0.109 63.337 63.100 0.214 0.000 0.790 222 P CB 2.116 34.016 31.700 0.332 0.000 0.951 223 G N 0.359 109.065 108.800 -0.156 0.000 2.351 223 G HA2 0.193 4.152 3.960 -0.002 0.000 0.279 223 G HA3 0.193 4.152 3.960 -0.002 0.000 0.279 223 G C -1.896 172.578 174.900 -0.710 0.000 1.297 223 G CA -0.744 44.004 45.100 -0.586 0.000 0.886 223 G HN 0.321 nan 8.290 nan 0.000 0.493 224 Y N 0.420 120.543 120.300 -0.295 0.000 2.354 224 Y HA 0.507 5.056 4.550 -0.002 0.000 0.322 224 Y C 1.740 177.602 175.900 -0.064 0.000 1.253 224 Y CA 0.880 58.872 58.100 -0.180 0.000 1.272 224 Y CB 1.605 39.965 38.460 -0.167 0.000 1.255 224 Y HN 0.714 nan 8.280 nan 0.000 0.500 225 G N 0.917 109.805 108.800 0.147 0.000 2.404 225 G HA2 -0.125 3.834 3.960 -0.002 0.000 0.214 225 G HA3 -0.125 3.834 3.960 -0.002 0.000 0.214 225 G C -0.942 174.015 174.900 0.096 0.000 1.189 225 G CA 0.435 45.605 45.100 0.117 0.000 0.789 225 G HN 0.527 nan 8.290 nan 0.000 0.533 226 P HA 0.004 nan 4.420 nan 0.000 0.229 226 P C 1.445 178.772 177.300 0.044 0.000 1.150 226 P CA 1.858 64.985 63.100 0.046 0.000 0.765 226 P CB 0.108 31.821 31.700 0.021 0.000 0.783 227 T N -4.263 110.332 114.554 0.069 0.000 3.499 227 T HA 0.328 4.677 4.350 -0.002 0.000 0.227 227 T C 1.893 176.632 174.700 0.065 0.000 0.946 227 T CA 0.497 62.635 62.100 0.063 0.000 1.368 227 T CB -0.989 67.928 68.868 0.081 0.000 1.227 227 T HN -0.127 nan 8.240 nan 0.000 0.398 228 A N 1.847 124.708 122.820 0.068 0.000 1.858 228 A HA 0.271 4.590 4.320 -0.002 0.000 0.216 228 A C 2.609 180.233 177.584 0.066 0.000 1.190 228 A CA 1.982 54.056 52.037 0.061 0.000 0.617 228 A CB -1.757 17.270 19.000 0.044 0.000 0.827 228 A HN 0.659 nan 8.150 nan 0.000 0.443 229 G N -0.472 108.372 108.800 0.073 0.000 2.446 229 G HA2 -0.053 3.906 3.960 -0.002 0.000 0.217 229 G HA3 -0.053 3.906 3.960 -0.002 0.000 0.217 229 G C 1.736 176.681 174.900 0.075 0.000 1.168 229 G CA 1.670 46.825 45.100 0.091 0.000 0.771 229 G HN 0.852 nan 8.290 nan 0.000 0.551 230 A N 0.951 123.806 122.820 0.058 0.000 1.929 230 A HA 0.391 4.710 4.320 -0.002 0.000 0.216 230 A C 2.791 180.403 177.584 0.046 0.000 1.176 230 A CA 1.927 53.987 52.037 0.037 0.000 0.628 230 A CB -0.665 18.349 19.000 0.023 0.000 0.816 230 A HN 0.804 nan 8.150 nan 0.000 0.444 231 A N 0.044 122.900 122.820 0.059 0.000 1.978 231 A HA -0.097 4.222 4.320 -0.002 0.000 0.220 231 A C 2.084 179.735 177.584 0.112 0.000 1.170 231 A CA 1.568 53.651 52.037 0.078 0.000 0.636 231 A CB -0.539 18.512 19.000 0.085 0.000 0.810 231 A HN 0.522 nan 8.150 nan 0.000 0.448 232 I N -0.617 120.007 120.570 0.090 0.000 2.162 232 I HA -0.198 3.971 4.170 -0.002 0.000 0.238 232 I C 2.991 179.159 176.117 0.085 0.000 1.076 232 I CA 0.925 62.276 61.300 0.086 0.000 1.353 232 I CB -0.546 37.492 38.000 0.062 0.000 1.063 232 I HN 0.322 nan 8.210 nan 0.000 0.408 233 A N 0.084 122.941 122.820 0.062 0.000 1.997 233 A HA -0.237 4.082 4.320 -0.002 0.000 0.221 233 A C 2.341 179.945 177.584 0.034 0.000 1.172 233 A CA 2.566 54.625 52.037 0.038 0.000 0.645 233 A CB -0.626 18.380 19.000 0.010 0.000 0.813 233 A HN 0.461 nan 8.150 nan 0.000 0.454 234 S N -1.820 113.906 115.700 0.043 0.000 2.511 234 S HA 0.086 4.555 4.470 -0.002 0.000 0.214 234 S C 0.673 175.295 174.600 0.037 0.000 0.997 234 S CA -0.564 57.650 58.200 0.024 0.000 0.908 234 S CB -0.189 63.011 63.200 0.001 0.000 0.803 234 S HN 0.701 nan 8.310 nan 0.000 0.504 235 H N 1.550 120.620 119.070 -0.000 0.000 3.094 235 H HA 0.032 4.588 4.556 -0.000 0.000 0.320 235 H C 0.959 176.286 175.328 -0.002 0.000 1.000 235 H CA 0.414 56.463 56.048 0.001 0.000 1.413 235 H CB 0.313 30.077 29.762 0.003 0.000 1.405 235 H HN 0.107 nan 8.280 nan 0.000 0.586 236 I N 4.082 124.625 120.570 -0.045 0.000 3.111 236 I HA -0.027 4.141 4.170 -0.002 0.000 0.272 236 I C 2.072 178.278 176.117 0.149 0.000 1.268 236 I CA 1.205 62.523 61.300 0.031 0.000 1.467 236 I CB 0.034 38.002 38.000 -0.053 0.000 1.087 236 I HN 0.732 nan 8.210 nan 0.000 0.467 237 G N -0.104 108.938 108.800 0.403 0.000 3.393 237 G HA2 0.269 4.228 3.960 -0.002 0.000 0.255 237 G HA3 0.269 4.228 3.960 -0.002 0.000 0.255 237 G C 0.532 175.487 174.900 0.092 0.000 1.097 237 G CA -0.179 45.065 45.100 0.240 0.000 0.780 237 G HN 0.209 nan 8.290 nan 0.000 0.540 238 I N 1.197 121.821 120.570 0.090 0.000 2.321 238 I HA 0.212 4.381 4.170 -0.002 0.000 0.291 238 I C 0.147 176.268 176.117 0.006 0.000 0.998 238 I CA -0.729 60.572 61.300 0.001 0.000 1.227 238 I CB 1.860 39.861 38.000 0.001 0.000 1.368 238 I HN -0.038 nan 8.210 nan 0.000 0.466 239 D N 4.546 124.930 120.400 -0.026 0.000 2.162 239 D HA -0.015 4.624 4.640 -0.002 0.000 0.203 239 D C 0.749 177.030 176.300 -0.032 0.000 0.967 239 D CA 1.290 55.274 54.000 -0.027 0.000 0.840 239 D CB 0.409 41.178 40.800 -0.052 0.000 0.972 239 D HN 0.289 nan 8.370 nan 0.000 0.482 240 K N 0.449 120.827 120.400 -0.038 0.000 2.508 240 K HA 0.450 4.769 4.320 -0.002 0.000 0.260 240 K C -1.803 174.786 176.600 -0.019 0.000 0.949 240 K CA -0.675 55.586 56.287 -0.043 0.000 0.834 240 K CB 2.642 35.096 32.500 -0.076 0.000 1.365 240 K HN 0.010 nan 8.250 nan 0.000 0.437 241 I N 1.786 122.347 120.570 -0.015 0.000 2.533 241 I HA 0.523 4.692 4.170 -0.002 0.000 0.290 241 I C -1.313 174.826 176.117 0.037 0.000 1.056 241 I CA -0.580 60.733 61.300 0.023 0.000 1.057 241 I CB 1.832 39.854 38.000 0.036 0.000 1.240 241 I HN 0.733 nan 8.210 nan 0.000 0.423 242 A N 7.341 130.205 122.820 0.074 0.000 2.287 242 A HA 0.687 5.006 4.320 -0.002 0.000 0.317 242 A C -1.517 176.153 177.584 0.143 0.000 1.220 242 A CA -0.376 51.715 52.037 0.090 0.000 0.835 242 A CB 0.696 19.766 19.000 0.117 0.000 1.180 242 A HN 0.653 nan 8.150 nan 0.000 0.500 243 F N 2.105 122.059 119.950 0.006 0.000 2.551 243 F HA 0.745 5.272 4.527 -0.001 0.000 0.316 243 F C -0.169 175.637 175.800 0.011 0.000 1.089 243 F CA -0.099 57.907 58.000 0.010 0.000 0.915 243 F CB 2.426 41.427 39.000 0.001 0.000 1.186 243 F HN 0.525 nan 8.300 nan 0.000 0.456 244 T N 3.817 117.823 114.554 -0.914 0.000 2.991 244 T HA 0.755 5.104 4.350 -0.002 0.000 0.303 244 T C -0.555 173.553 174.700 -0.987 0.000 1.015 244 T CA 0.332 62.088 62.100 -0.573 0.000 1.007 244 T CB 0.774 69.499 68.868 -0.237 0.000 1.034 244 T HN 1.420 nan 8.240 nan 0.000 0.446 245 G N 2.703 111.245 108.800 -0.430 0.000 2.566 245 G HA2 0.399 4.358 3.960 -0.002 0.000 0.138 245 G HA3 0.399 4.358 3.960 -0.002 0.000 0.138 245 G C -0.534 174.482 174.900 0.193 0.000 1.133 245 G CA -0.009 44.988 45.100 -0.170 0.000 1.037 245 G HN 1.484 nan 8.290 nan 0.000 0.491 246 S N 0.038 115.910 115.700 0.286 0.000 2.565 246 S HA 0.455 4.924 4.470 -0.002 0.000 0.274 246 S C 1.699 176.407 174.600 0.179 0.000 1.309 246 S CA 1.018 59.334 58.200 0.193 0.000 1.043 246 S CB 1.345 64.625 63.200 0.134 0.000 0.939 246 S HN 1.817 nan 8.310 nan 0.000 0.504 247 T N 0.069 114.687 114.554 0.108 0.000 2.720 247 T HA -0.215 4.134 4.350 -0.002 0.000 0.268 247 T C 1.532 176.219 174.700 -0.020 0.000 1.037 247 T CA 1.416 63.541 62.100 0.041 0.000 1.144 247 T CB -0.813 68.073 68.868 0.031 0.000 0.864 247 T HN 0.786 nan 8.240 nan 0.000 0.444 248 E N 1.376 121.576 120.200 0.000 0.000 2.130 248 E HA -0.099 4.250 4.350 -0.002 0.000 0.196 248 E C 2.362 178.920 176.600 -0.071 0.000 0.998 248 E CA 1.113 57.498 56.400 -0.025 0.000 0.806 248 E CB -1.075 28.629 29.700 0.006 0.000 0.738 248 E HN 0.532 nan 8.360 nan 0.000 0.459 249 V N 1.418 121.281 119.914 -0.084 0.000 2.788 249 V HA -0.028 4.091 4.120 -0.002 0.000 0.251 249 V C 2.446 178.272 176.094 -0.447 0.000 1.068 249 V CA 1.421 63.603 62.300 -0.196 0.000 1.090 249 V CB -0.683 31.073 31.823 -0.113 0.000 0.710 249 V HN 0.402 nan 8.190 nan 0.000 0.467 250 G N 0.109 108.628 108.800 -0.467 0.000 2.446 250 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.217 250 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.217 250 G C 1.634 176.353 174.900 -0.302 0.000 1.168 250 G CA 0.834 45.625 45.100 -0.515 0.000 0.771 250 G HN 0.446 nan 8.290 nan 0.000 0.551 251 K N -0.155 120.126 120.400 -0.198 0.000 2.103 251 K HA 0.003 4.322 4.320 -0.002 0.000 0.207 251 K C 2.472 178.986 176.600 -0.143 0.000 1.048 251 K CA 0.856 57.055 56.287 -0.146 0.000 0.930 251 K CB -0.255 32.177 32.500 -0.112 0.000 0.716 251 K HN 0.311 nan 8.250 nan 0.000 0.444 252 L N 0.550 121.675 121.223 -0.165 0.000 2.109 252 L HA -0.147 4.192 4.340 -0.002 0.000 0.207 252 L C 2.283 179.062 176.870 -0.152 0.000 1.086 252 L CA 0.409 55.167 54.840 -0.136 0.000 0.760 252 L CB -0.374 41.612 42.059 -0.122 0.000 0.910 252 L HN 0.140 nan 8.230 nan 0.000 0.437 253 I N 0.199 120.627 120.570 -0.238 0.000 2.113 253 I HA -0.335 3.834 4.170 -0.002 0.000 0.238 253 I C 2.616 178.654 176.117 -0.133 0.000 1.070 253 I CA 1.656 62.826 61.300 -0.218 0.000 1.332 253 I CB -0.971 36.804 38.000 -0.376 0.000 1.044 253 I HN 0.389 nan 8.210 nan 0.000 0.402 254 Q N 0.609 120.329 119.800 -0.133 0.000 2.061 254 Q HA -0.269 4.070 4.340 -0.002 0.000 0.204 254 Q C 2.233 178.190 176.000 -0.072 0.000 0.984 254 Q CA 2.172 57.922 55.803 -0.087 0.000 0.846 254 Q CB -0.112 28.575 28.738 -0.084 0.000 0.902 254 Q HN 0.458 nan 8.270 nan 0.000 0.421 255 E N -0.645 119.507 120.200 -0.079 0.000 2.058 255 E HA -0.262 4.087 4.350 -0.002 0.000 0.194 255 E C 1.807 178.376 176.600 -0.051 0.000 0.997 255 E CA 1.170 57.532 56.400 -0.062 0.000 0.801 255 E CB -0.214 29.448 29.700 -0.065 0.000 0.746 255 E HN 0.487 nan 8.360 nan 0.000 0.450 256 A N 1.148 123.935 122.820 -0.055 0.000 1.877 256 A HA -0.118 4.201 4.320 -0.002 0.000 0.216 256 A C 2.401 179.967 177.584 -0.030 0.000 1.186 256 A CA 1.926 53.939 52.037 -0.040 0.000 0.620 256 A CB -0.845 18.131 19.000 -0.040 0.000 0.822 256 A HN 0.419 nan 8.150 nan 0.000 0.443 257 A N -0.790 122.010 122.820 -0.032 0.000 2.070 257 A HA 0.161 4.480 4.320 -0.002 0.000 0.220 257 A C 2.231 179.802 177.584 -0.023 0.000 1.159 257 A CA 1.810 53.834 52.037 -0.021 0.000 0.656 257 A CB -1.010 17.976 19.000 -0.023 0.000 0.800 257 A HN 0.689 nan 8.150 nan 0.000 0.453 258 G N -0.803 107.979 108.800 -0.029 0.000 2.411 258 G HA2 -0.093 3.866 3.960 -0.002 0.000 0.213 258 G HA3 -0.093 3.866 3.960 -0.002 0.000 0.213 258 G C 1.625 176.511 174.900 -0.024 0.000 1.166 258 G CA 0.278 45.362 45.100 -0.027 0.000 0.802 258 G HN 0.472 nan 8.290 nan 0.000 0.533 259 R N 1.070 121.555 120.500 -0.026 0.000 2.235 259 R HA 0.014 4.353 4.340 -0.002 0.000 0.213 259 R C 2.498 178.785 176.300 -0.021 0.000 1.059 259 R CA 1.238 57.324 56.100 -0.024 0.000 0.997 259 R CB -0.130 30.155 30.300 -0.026 0.000 0.884 259 R HN 0.546 nan 8.270 nan 0.000 0.462 260 S N 1.980 117.669 115.700 -0.019 0.000 2.400 260 S HA -0.036 4.433 4.470 -0.002 0.000 0.170 260 S C 1.184 175.777 174.600 -0.012 0.000 0.917 260 S CA 0.378 58.568 58.200 -0.017 0.000 1.028 260 S CB -0.261 62.933 63.200 -0.011 0.000 0.810 260 S HN 0.334 nan 8.310 nan 0.000 0.504 261 N N 1.044 119.741 118.700 -0.005 0.000 2.241 261 N HA 0.243 4.982 4.740 -0.002 0.000 0.238 261 N C -0.085 175.422 175.510 -0.004 0.000 1.244 261 N CA -0.149 52.900 53.050 -0.002 0.000 0.880 261 N CB -0.271 38.221 38.487 0.010 0.000 1.179 261 N HN 0.553 nan 8.380 nan 0.000 0.513 262 L N 0.329 121.546 121.223 -0.010 0.000 3.597 262 L HA -0.288 4.051 4.340 -0.002 0.000 0.440 262 L C 0.088 176.950 176.870 -0.014 0.000 1.277 262 L CA 0.608 55.440 54.840 -0.014 0.000 0.852 262 L CB -1.501 40.549 42.059 -0.014 0.000 1.708 262 L HN 0.467 nan 8.230 nan 0.000 0.885 263 K N -0.480 119.913 120.400 -0.011 0.000 2.138 263 K HA 0.579 4.898 4.320 -0.002 0.000 0.251 263 K C 0.335 176.920 176.600 -0.025 0.000 1.015 263 K CA -0.920 55.358 56.287 -0.014 0.000 0.917 263 K CB 0.666 33.163 32.500 -0.005 0.000 1.021 263 K HN -0.020 nan 8.250 nan 0.000 0.485 264 R N 0.521 121.000 120.500 -0.036 0.000 2.590 264 R HA 0.217 4.556 4.340 -0.002 0.000 0.274 264 R C -0.720 175.552 176.300 -0.047 0.000 1.061 264 R CA -0.232 55.839 56.100 -0.050 0.000 1.081 264 R CB 0.867 31.122 30.300 -0.074 0.000 0.984 264 R HN 0.421 nan 8.270 nan 0.000 0.448 265 V N 2.088 121.975 119.914 -0.044 0.000 2.638 265 V HA 0.449 4.568 4.120 -0.002 0.000 0.306 265 V C -0.388 175.688 176.094 -0.029 0.000 1.052 265 V CA -0.650 61.632 62.300 -0.030 0.000 0.885 265 V CB 2.379 34.185 31.823 -0.028 0.000 0.999 265 V HN 0.796 nan 8.190 nan 0.000 0.424 266 T N 5.916 120.465 114.554 -0.009 0.000 2.876 266 T HA 0.752 5.101 4.350 -0.002 0.000 0.289 266 T C -0.856 173.887 174.700 0.072 0.000 1.014 266 T CA -0.437 61.663 62.100 0.001 0.000 0.986 266 T CB 1.368 70.212 68.868 -0.040 0.000 1.021 266 T HN 0.404 nan 8.240 nan 0.000 0.458 267 L N 2.377 123.648 121.223 0.080 0.000 2.446 267 L HA 0.453 4.792 4.340 -0.002 0.000 0.268 267 L C -0.064 176.885 176.870 0.130 0.000 0.975 267 L CA -0.588 54.348 54.840 0.161 0.000 0.848 267 L CB 2.067 44.195 42.059 0.116 0.000 1.225 267 L HN 0.571 nan 8.230 nan 0.000 0.410 268 E N 4.514 124.795 120.200 0.135 0.000 1.993 268 E HA 0.455 4.804 4.350 -0.002 0.000 0.271 268 E C -0.889 175.768 176.600 0.096 0.000 1.008 268 E CA -0.259 56.178 56.400 0.062 0.000 0.814 268 E CB 0.843 30.541 29.700 -0.003 0.000 1.098 268 E HN 0.457 nan 8.360 nan 0.000 0.407 269 L N 1.486 122.773 121.223 0.108 0.000 2.335 269 L HA 0.517 4.856 4.340 -0.002 0.000 0.268 269 L C 1.475 178.402 176.870 0.094 0.000 1.016 269 L CA -0.963 53.951 54.840 0.124 0.000 0.805 269 L CB 0.740 42.874 42.059 0.125 0.000 1.311 269 L HN 0.540 nan 8.230 nan 0.000 0.456 270 G N -0.329 108.532 108.800 0.101 0.000 2.190 270 G HA2 0.358 4.317 3.960 -0.002 0.000 0.295 270 G HA3 0.358 4.317 3.960 -0.002 0.000 0.295 270 G C 0.144 175.106 174.900 0.104 0.000 1.507 270 G CA 0.447 45.608 45.100 0.101 0.000 1.034 270 G HN 1.118 nan 8.290 nan 0.000 0.483 271 G N -2.298 106.569 108.800 0.112 0.000 2.528 271 G HA2 0.322 4.281 3.960 -0.002 0.000 0.681 271 G HA3 0.322 4.281 3.960 -0.002 0.000 0.681 271 G C -0.520 174.448 174.900 0.113 0.000 1.340 271 G CA -0.097 45.068 45.100 0.108 0.000 0.855 271 G HN 0.834 nan 8.290 nan 0.000 0.649 272 K N -0.431 120.032 120.400 0.105 0.000 2.126 272 K HA 0.699 5.018 4.320 -0.002 0.000 0.257 272 K C 0.338 177.017 176.600 0.131 0.000 1.007 272 K CA -0.313 56.041 56.287 0.111 0.000 0.928 272 K CB 1.659 34.217 32.500 0.096 0.000 1.013 272 K HN 0.634 nan 8.250 nan 0.000 0.473 273 S N 2.168 117.961 115.700 0.156 0.000 2.139 273 S HA 0.234 4.703 4.470 -0.002 0.000 0.183 273 S C -2.320 172.384 174.600 0.173 0.000 1.473 273 S CA -1.670 56.656 58.200 0.211 0.000 1.263 273 S CB -0.036 63.348 63.200 0.306 0.000 1.170 273 S HN 0.505 nan 8.310 nan 0.000 0.430 274 P HA 0.104 nan 4.420 nan 0.000 0.269 274 P C -0.879 176.469 177.300 0.078 0.000 1.211 274 P CA 0.009 63.184 63.100 0.126 0.000 0.781 274 P CB 0.342 32.060 31.700 0.030 0.000 0.877 275 N N 0.944 119.702 118.700 0.095 0.000 2.410 275 N HA 0.438 5.177 4.740 -0.002 0.000 0.287 275 N C -0.812 174.756 175.510 0.096 0.000 1.044 275 N CA -0.438 52.642 53.050 0.050 0.000 0.881 275 N CB 1.068 39.504 38.487 -0.085 0.000 1.405 275 N HN 0.294 nan 8.380 nan 0.000 0.490 276 I N 2.982 123.605 120.570 0.089 0.000 2.354 276 I HA 0.478 4.647 4.170 -0.002 0.000 0.292 276 I C -0.486 175.737 176.117 0.177 0.000 0.989 276 I CA -0.596 60.704 61.300 0.000 0.000 1.188 276 I CB 1.235 39.157 38.000 -0.130 0.000 1.342 276 I HN 0.316 nan 8.210 nan 0.000 0.457 277 I N 6.018 126.642 120.570 0.090 0.000 2.447 277 I HA 0.377 4.546 4.170 -0.002 0.000 0.287 277 I C -0.730 175.471 176.117 0.140 0.000 1.023 277 I CA -0.435 60.959 61.300 0.156 0.000 1.083 277 I CB 1.626 39.546 38.000 -0.133 0.000 1.245 277 I HN 0.327 nan 8.210 nan 0.000 0.434 278 F N 2.920 123.027 119.950 0.261 0.000 2.408 278 F HA 0.459 4.985 4.527 -0.002 0.000 0.325 278 F C 1.410 177.283 175.800 0.121 0.000 1.082 278 F CA -0.279 57.848 58.000 0.212 0.000 1.032 278 F CB 1.406 40.528 39.000 0.203 0.000 1.259 278 F HN 0.501 nan 8.300 nan 0.000 0.503 279 A N 0.306 123.276 122.820 0.249 0.000 2.067 279 A HA -0.148 4.171 4.320 -0.002 0.000 0.219 279 A C 1.610 179.298 177.584 0.172 0.000 1.158 279 A CA 1.692 53.821 52.037 0.152 0.000 0.661 279 A CB -1.101 17.952 19.000 0.088 0.000 0.801 279 A HN 0.846 nan 8.150 nan 0.000 0.452 280 D N 0.193 120.719 120.400 0.209 0.000 2.312 280 D HA 0.272 4.911 4.640 -0.002 0.000 0.211 280 D C 0.938 177.337 176.300 0.164 0.000 0.964 280 D CA 0.632 54.723 54.000 0.152 0.000 0.877 280 D CB -0.337 40.529 40.800 0.110 0.000 0.924 280 D HN 0.411 nan 8.370 nan 0.000 0.515 281 A N 0.803 123.762 122.820 0.233 0.000 2.346 281 A HA 0.330 4.649 4.320 -0.002 0.000 0.252 281 A C -0.252 177.468 177.584 0.227 0.000 1.089 281 A CA -0.343 51.851 52.037 0.262 0.000 0.797 281 A CB 0.129 19.367 19.000 0.396 0.000 1.047 281 A HN 0.306 nan 8.150 nan 0.000 0.494 282 D N 1.184 121.725 120.400 0.235 0.000 2.346 282 D HA 0.200 4.839 4.640 -0.002 0.000 0.260 282 D C 0.638 177.075 176.300 0.228 0.000 1.252 282 D CA -0.573 53.547 54.000 0.201 0.000 0.895 282 D CB 0.471 41.382 40.800 0.184 0.000 1.097 282 D HN 0.266 nan 8.370 nan 0.000 0.489 283 L N 2.150 123.479 121.223 0.176 0.000 2.089 283 L HA -0.240 4.099 4.340 -0.002 0.000 0.213 283 L C 1.271 178.215 176.870 0.124 0.000 1.079 283 L CA 2.003 56.943 54.840 0.165 0.000 0.758 283 L CB -0.402 41.731 42.059 0.123 0.000 0.891 283 L HN 0.419 nan 8.230 nan 0.000 0.433 284 D N -1.566 118.903 120.400 0.114 0.000 2.088 284 D HA -0.279 4.360 4.640 -0.002 0.000 0.196 284 D C 1.986 178.353 176.300 0.112 0.000 0.983 284 D CA 1.897 55.945 54.000 0.081 0.000 0.846 284 D CB -0.665 40.188 40.800 0.088 0.000 0.992 284 D HN 0.427 nan 8.370 nan 0.000 0.448 285 Y N 1.965 122.311 120.300 0.076 0.000 2.062 285 Y HA -0.339 4.210 4.550 -0.002 0.000 0.276 285 Y C 2.310 178.274 175.900 0.106 0.000 1.189 285 Y CA 2.307 60.475 58.100 0.113 0.000 1.130 285 Y CB -0.614 37.945 38.460 0.165 0.000 0.959 285 Y HN -0.003 nan 8.280 nan 0.000 0.499 286 A N -0.667 122.248 122.820 0.159 0.000 1.917 286 A HA -0.219 4.100 4.320 -0.002 0.000 0.219 286 A C 2.368 179.877 177.584 -0.126 0.000 1.182 286 A CA 2.430 54.414 52.037 -0.087 0.000 0.633 286 A CB -1.396 17.662 19.000 0.097 0.000 0.819 286 A HN 0.387 nan 8.150 nan 0.000 0.448 287 V N -0.190 119.689 119.914 -0.059 0.000 2.379 287 V HA -0.181 3.938 4.120 -0.002 0.000 0.245 287 V C 2.589 178.582 176.094 -0.168 0.000 1.044 287 V CA 2.290 64.448 62.300 -0.236 0.000 1.036 287 V CB -0.589 30.998 31.823 -0.394 0.000 0.664 287 V HN 0.730 nan 8.190 nan 0.000 0.453 288 E N -0.054 120.062 120.200 -0.141 0.000 2.107 288 E HA -0.184 4.165 4.350 -0.002 0.000 0.191 288 E C 2.239 178.816 176.600 -0.038 0.000 0.982 288 E CA 1.235 57.585 56.400 -0.084 0.000 0.809 288 E CB -0.224 29.426 29.700 -0.083 0.000 0.756 288 E HN 0.470 nan 8.360 nan 0.000 0.459 289 Q N -0.004 119.682 119.800 -0.191 0.000 2.046 289 Q HA -0.038 4.301 4.340 -0.002 0.000 0.200 289 Q C 2.203 178.196 176.000 -0.013 0.000 0.975 289 Q CA 1.630 57.346 55.803 -0.144 0.000 0.836 289 Q CB -0.667 27.896 28.738 -0.292 0.000 0.896 289 Q HN 0.402 nan 8.270 nan 0.000 0.428 290 A N 0.783 123.530 122.820 -0.122 0.000 1.972 290 A HA -0.227 4.092 4.320 -0.002 0.000 0.219 290 A C 2.019 179.646 177.584 0.071 0.000 1.169 290 A CA 1.692 53.683 52.037 -0.076 0.000 0.635 290 A CB -0.816 18.181 19.000 -0.005 0.000 0.810 290 A HN 0.475 nan 8.150 nan 0.000 0.446 291 H N -0.675 118.422 119.070 0.045 0.000 2.276 291 H HA -0.100 4.455 4.556 -0.002 0.000 0.301 291 H C 1.955 177.465 175.328 0.304 0.000 1.073 291 H CA 1.847 58.009 56.048 0.191 0.000 1.311 291 H CB -0.086 29.738 29.762 0.104 0.000 1.379 291 H HN 0.403 nan 8.280 nan 0.000 0.494 292 Q N 0.009 119.971 119.800 0.271 0.000 2.170 292 Q HA -0.074 4.265 4.340 -0.002 0.000 0.203 292 Q C 2.412 178.565 176.000 0.254 0.000 0.976 292 Q CA 1.115 57.068 55.803 0.249 0.000 0.858 292 Q CB -0.590 28.267 28.738 0.199 0.000 0.907 292 Q HN 0.616 nan 8.270 nan 0.000 0.433 293 G N -0.470 108.495 108.800 0.275 0.000 2.534 293 G HA2 -0.030 3.929 3.960 -0.002 0.000 0.217 293 G HA3 -0.030 3.929 3.960 -0.002 0.000 0.217 293 G C 1.350 176.500 174.900 0.416 0.000 1.128 293 G CA 0.497 45.896 45.100 0.499 0.000 0.784 293 G HN 0.266 nan 8.290 nan 0.000 0.542 294 V N -0.815 119.160 119.914 0.102 0.000 3.565 294 V HA 0.292 4.411 4.120 -0.002 0.000 0.260 294 V C 1.357 177.253 176.094 -0.329 0.000 1.231 294 V CA 0.379 62.591 62.300 -0.147 0.000 1.100 294 V CB -0.222 31.361 31.823 -0.400 0.000 0.807 294 V HN 0.257 nan 8.190 nan 0.000 0.454 295 F N -1.273 118.692 119.950 0.026 0.000 2.682 295 F HA 0.402 4.928 4.527 -0.002 0.000 0.308 295 F C 0.741 176.600 175.800 0.098 0.000 1.093 295 F CA -1.097 56.901 58.000 -0.003 0.000 1.244 295 F CB 0.146 39.034 39.000 -0.186 0.000 1.052 295 F HN 0.060 nan 8.300 nan 0.000 0.573 296 F N 1.819 121.877 119.950 0.180 0.000 2.518 296 F HA 0.165 4.691 4.527 -0.002 0.000 0.359 296 F C 1.330 177.230 175.800 0.166 0.000 1.118 296 F CA -0.347 57.755 58.000 0.171 0.000 1.287 296 F CB 0.223 39.317 39.000 0.156 0.000 1.132 296 F HN 0.172 nan 8.300 nan 0.000 0.587 297 N N 2.777 121.002 118.700 -0.791 0.000 2.741 297 N HA -0.295 4.444 4.740 -0.002 0.000 0.250 297 N C -0.064 175.332 175.510 -0.190 0.000 1.115 297 N CA 1.349 54.060 53.050 -0.566 0.000 0.724 297 N CB -1.048 37.149 38.487 -0.483 0.000 1.090 297 N HN 0.735 nan 8.380 nan 0.000 0.558 298 Q N -2.979 116.780 119.800 -0.068 0.000 2.503 298 Q HA -0.150 4.189 4.340 -0.002 0.000 0.267 298 Q C 1.348 177.413 176.000 0.109 0.000 1.030 298 Q CA 2.113 57.946 55.803 0.051 0.000 1.041 298 Q CB -1.916 26.823 28.738 0.002 0.000 1.406 298 Q HN 1.150 nan 8.270 nan 0.000 0.524 299 G N -0.485 108.383 108.800 0.113 0.000 2.412 299 G HA2 -0.443 3.516 3.960 -0.002 0.000 0.252 299 G HA3 -0.443 3.516 3.960 -0.002 0.000 0.252 299 G C 0.279 175.278 174.900 0.165 0.000 1.038 299 G CA 0.662 45.826 45.100 0.107 0.000 0.628 299 G HN 0.722 nan 8.290 nan 0.000 0.531 300 Q N 0.109 120.017 119.800 0.181 0.000 3.004 300 Q HA 0.465 4.804 4.340 -0.002 0.000 0.256 300 Q C 0.257 176.364 176.000 0.179 0.000 1.387 300 Q CA 0.014 55.983 55.803 0.277 0.000 0.962 300 Q CB -0.449 28.487 28.738 0.329 0.000 1.676 300 Q HN 1.241 nan 8.270 nan 0.000 0.568 301 C N -0.726 118.677 119.300 0.172 0.000 2.989 301 C HA 0.383 4.842 4.460 -0.002 0.000 0.397 301 C C 1.708 176.830 174.990 0.220 0.000 1.022 301 C CA -0.721 58.396 59.018 0.165 0.000 1.232 301 C CB 0.441 28.351 27.740 0.283 0.000 1.638 301 C HN 0.876 nan 8.230 nan 0.000 0.534 302 C N 1.754 121.159 119.300 0.176 0.000 2.396 302 C HA -0.110 4.349 4.460 -0.002 0.000 0.277 302 C C 2.400 177.498 174.990 0.180 0.000 1.231 302 C CA 2.169 61.282 59.018 0.159 0.000 1.775 302 C CB -2.341 25.463 27.740 0.108 0.000 2.036 302 C HN 1.223 nan 8.230 nan 0.000 0.484 303 T N -1.326 113.351 114.554 0.204 0.000 3.439 303 T HA 0.480 4.829 4.350 -0.002 0.000 0.251 303 T C 0.227 175.015 174.700 0.148 0.000 1.108 303 T CA 0.571 62.752 62.100 0.135 0.000 0.982 303 T CB -0.655 68.249 68.868 0.059 0.000 1.024 303 T HN 0.961 nan 8.240 nan 0.000 0.573 304 A N 0.095 123.055 122.820 0.234 0.000 2.356 304 A HA 0.794 5.113 4.320 -0.002 0.000 0.310 304 A C 0.183 177.916 177.584 0.247 0.000 1.075 304 A CA -0.687 51.519 52.037 0.281 0.000 0.746 304 A CB 1.433 20.573 19.000 0.233 0.000 1.221 304 A HN 0.539 nan 8.150 nan 0.000 0.443 305 G N 0.827 109.788 108.800 0.268 0.000 2.487 305 G HA2 0.470 4.429 3.960 -0.002 0.000 0.314 305 G HA3 0.470 4.429 3.960 -0.002 0.000 0.314 305 G C 0.491 175.411 174.900 0.034 0.000 1.267 305 G CA 0.109 45.295 45.100 0.144 0.000 0.937 305 G HN 0.640 nan 8.290 nan 0.000 0.481 306 S N 1.796 117.500 115.700 0.007 0.000 2.343 306 S HA -0.080 4.389 4.470 -0.002 0.000 0.219 306 S C 1.595 176.176 174.600 -0.031 0.000 1.033 306 S CA 0.634 58.806 58.200 -0.047 0.000 1.014 306 S CB -0.161 63.011 63.200 -0.046 0.000 0.915 306 S HN 0.792 nan 8.310 nan 0.000 0.435 307 R N 1.639 122.138 120.500 -0.001 0.000 2.583 307 R HA 0.116 4.455 4.340 -0.002 0.000 0.274 307 R C -0.759 175.555 176.300 0.023 0.000 0.998 307 R CA 0.754 56.845 56.100 -0.015 0.000 1.081 307 R CB -0.332 30.017 30.300 0.081 0.000 0.940 307 R HN 0.330 nan 8.270 nan 0.000 0.413 308 I N 3.465 124.004 120.570 -0.051 0.000 2.649 308 I HA 0.149 4.318 4.170 -0.002 0.000 0.275 308 I C -0.847 175.251 176.117 -0.032 0.000 1.180 308 I CA -0.738 60.569 61.300 0.011 0.000 1.049 308 I CB 0.663 38.672 38.000 0.016 0.000 1.234 308 I HN 0.413 nan 8.210 nan 0.000 0.506 309 F N 4.748 124.644 119.950 -0.089 0.000 2.541 309 F HA 0.224 4.750 4.527 -0.002 0.000 0.378 309 F C 0.537 176.386 175.800 0.081 0.000 1.068 309 F CA -0.164 57.814 58.000 -0.037 0.000 1.199 309 F CB 0.391 39.213 39.000 -0.297 0.000 1.091 309 F HN -0.019 nan 8.300 nan 0.000 0.555 310 V N 3.217 123.330 119.914 0.331 0.000 2.555 310 V HA 0.243 4.362 4.120 -0.002 0.000 0.302 310 V C 0.010 176.041 176.094 -0.104 0.000 1.038 310 V CA -1.319 61.036 62.300 0.090 0.000 0.887 310 V CB 1.776 33.438 31.823 -0.268 0.000 0.991 310 V HN 0.665 nan 8.190 nan 0.000 0.434 311 E N 2.283 122.158 120.200 -0.542 0.000 2.344 311 E HA 0.076 4.425 4.350 -0.002 0.000 0.270 311 E C 0.810 177.145 176.600 -0.441 0.000 1.021 311 E CA 0.014 55.754 56.400 -1.101 0.000 0.887 311 E CB 0.826 30.084 29.700 -0.738 0.000 0.997 311 E HN 0.726 nan 8.360 nan 0.000 0.429 312 E N 1.764 121.707 120.200 -0.427 0.000 2.095 312 E HA -0.306 4.043 4.350 -0.002 0.000 0.212 312 E C 1.758 178.324 176.600 -0.056 0.000 1.044 312 E CA 2.358 58.657 56.400 -0.169 0.000 0.857 312 E CB -0.033 29.562 29.700 -0.176 0.000 0.764 312 E HN 0.543 nan 8.360 nan 0.000 0.462 313 S N 0.104 115.755 115.700 -0.082 0.000 2.421 313 S HA -0.230 4.239 4.470 -0.002 0.000 0.239 313 S C 1.837 176.447 174.600 0.016 0.000 1.054 313 S CA 1.720 59.907 58.200 -0.021 0.000 1.035 313 S CB -0.464 62.726 63.200 -0.015 0.000 0.840 313 S HN 0.509 nan 8.310 nan 0.000 0.475 314 I N -3.394 117.187 120.570 0.019 0.000 4.102 314 I HA 0.377 4.546 4.170 -0.002 0.000 0.325 314 I C 1.291 177.459 176.117 0.084 0.000 1.471 314 I CA -0.472 60.862 61.300 0.057 0.000 1.133 314 I CB -0.077 37.965 38.000 0.070 0.000 1.184 314 I HN -0.018 nan 8.210 nan 0.000 0.451 315 Y N 2.374 122.656 120.300 -0.031 0.000 2.256 315 Y HA -0.240 4.309 4.550 -0.002 0.000 0.288 315 Y C 2.282 178.224 175.900 0.070 0.000 1.155 315 Y CA 2.267 60.364 58.100 -0.004 0.000 1.203 315 Y CB 0.083 38.512 38.460 -0.051 0.000 0.980 315 Y HN 0.456 nan 8.280 nan 0.000 0.530 316 E N 0.477 120.728 120.200 0.085 0.000 1.995 316 E HA -0.226 4.123 4.350 -0.002 0.000 0.207 316 E C 2.146 178.728 176.600 -0.030 0.000 1.016 316 E CA 2.008 58.428 56.400 0.033 0.000 0.865 316 E CB -0.359 29.377 29.700 0.059 0.000 0.797 316 E HN 0.353 nan 8.360 nan 0.000 0.491 317 E N -0.091 120.113 120.200 0.006 0.000 2.086 317 E HA -0.226 4.123 4.350 -0.002 0.000 0.200 317 E C 2.084 178.663 176.600 -0.034 0.000 1.012 317 E CA 1.190 57.585 56.400 -0.008 0.000 0.812 317 E CB -0.716 28.994 29.700 0.016 0.000 0.743 317 E HN 0.369 nan 8.360 nan 0.000 0.453 318 F N 1.369 121.240 119.950 -0.132 0.000 2.091 318 F HA -0.267 4.259 4.527 -0.002 0.000 0.299 318 F C 2.282 177.972 175.800 -0.183 0.000 1.103 318 F CA 1.402 59.313 58.000 -0.148 0.000 1.228 318 F CB -0.181 38.725 39.000 -0.156 0.000 0.984 318 F HN -0.163 nan 8.300 nan 0.000 0.477 319 V N 0.439 120.294 119.914 -0.099 0.000 2.427 319 V HA -0.277 3.842 4.120 -0.002 0.000 0.248 319 V C 2.280 178.277 176.094 -0.162 0.000 1.051 319 V CA 2.098 64.305 62.300 -0.155 0.000 1.048 319 V CB -0.743 30.930 31.823 -0.250 0.000 0.666 319 V HN 0.289 nan 8.190 nan 0.000 0.456 320 K N 0.028 120.342 120.400 -0.143 0.000 1.985 320 K HA -0.117 4.202 4.320 -0.002 0.000 0.210 320 K C 2.410 178.916 176.600 -0.156 0.000 1.047 320 K CA 1.204 57.421 56.287 -0.116 0.000 0.932 320 K CB -0.322 32.129 32.500 -0.082 0.000 0.716 320 K HN 0.268 nan 8.250 nan 0.000 0.439 321 R N 0.939 121.320 120.500 -0.199 0.000 2.117 321 R HA -0.089 4.250 4.340 -0.002 0.000 0.243 321 R C 2.346 178.473 176.300 -0.288 0.000 1.143 321 R CA 1.340 57.301 56.100 -0.232 0.000 0.968 321 R CB -0.819 29.324 30.300 -0.261 0.000 0.863 321 R HN 0.167 nan 8.270 nan 0.000 0.444 322 S N 0.900 116.385 115.700 -0.358 0.000 2.355 322 S HA -0.097 4.372 4.470 -0.002 0.000 0.222 322 S C 2.264 176.782 174.600 -0.136 0.000 1.031 322 S CA 1.397 59.426 58.200 -0.285 0.000 0.993 322 S CB -0.462 62.548 63.200 -0.316 0.000 0.859 322 S HN 0.352 nan 8.310 nan 0.000 0.453 323 V N 1.101 120.946 119.914 -0.115 0.000 2.392 323 V HA -0.184 3.935 4.120 -0.002 0.000 0.249 323 V C 1.903 177.937 176.094 -0.099 0.000 1.059 323 V CA 1.779 64.034 62.300 -0.076 0.000 1.051 323 V CB -1.002 30.782 31.823 -0.065 0.000 0.658 323 V HN 0.394 nan 8.190 nan 0.000 0.455 324 E N 0.090 120.215 120.200 -0.126 0.000 2.077 324 E HA -0.186 4.163 4.350 -0.002 0.000 0.193 324 E C 2.495 178.996 176.600 -0.166 0.000 0.989 324 E CA 1.377 57.700 56.400 -0.128 0.000 0.800 324 E CB -0.213 29.410 29.700 -0.129 0.000 0.746 324 E HN 0.494 nan 8.360 nan 0.000 0.452 325 R N 0.496 120.852 120.500 -0.241 0.000 2.082 325 R HA -0.117 4.221 4.340 -0.002 0.000 0.234 325 R C 2.336 178.473 176.300 -0.272 0.000 1.136 325 R CA 1.389 57.252 56.100 -0.395 0.000 0.935 325 R CB -1.013 28.814 30.300 -0.788 0.000 0.842 325 R HN 0.177 nan 8.270 nan 0.000 0.430 326 A N 1.299 124.037 122.820 -0.137 0.000 1.940 326 A HA -0.193 4.126 4.320 -0.002 0.000 0.219 326 A C 2.161 179.667 177.584 -0.132 0.000 1.176 326 A CA 1.687 53.647 52.037 -0.128 0.000 0.631 326 A CB -0.416 18.538 19.000 -0.077 0.000 0.814 326 A HN 0.274 nan 8.150 nan 0.000 0.446 327 K N -0.821 119.513 120.400 -0.109 0.000 2.280 327 K HA -0.078 4.241 4.320 -0.002 0.000 0.202 327 K C 1.368 177.916 176.600 -0.087 0.000 1.047 327 K CA 1.179 57.413 56.287 -0.089 0.000 0.942 327 K CB -0.042 32.409 32.500 -0.080 0.000 0.739 327 K HN 0.473 nan 8.250 nan 0.000 0.457 328 R N -0.265 120.172 120.500 -0.104 0.000 2.509 328 R HA 0.129 4.468 4.340 -0.002 0.000 0.300 328 R C -0.047 176.207 176.300 -0.076 0.000 0.985 328 R CA -0.303 55.746 56.100 -0.086 0.000 1.092 328 R CB 0.538 30.783 30.300 -0.091 0.000 1.237 328 R HN -0.089 nan 8.270 nan 0.000 0.546 329 R N 1.622 122.069 120.500 -0.088 0.000 2.316 329 R HA 0.138 4.477 4.340 -0.002 0.000 0.314 329 R C -0.560 175.714 176.300 -0.043 0.000 1.069 329 R CA -0.259 55.800 56.100 -0.068 0.000 0.959 329 R CB 0.365 30.585 30.300 -0.133 0.000 0.987 329 R HN -0.083 nan 8.270 nan 0.000 0.446 330 I N 5.531 126.093 120.570 -0.015 0.000 2.363 330 I HA 0.052 4.221 4.170 -0.002 0.000 0.292 330 I C -0.383 175.745 176.117 0.018 0.000 1.075 330 I CA 0.231 61.528 61.300 -0.004 0.000 1.333 330 I CB 1.209 39.213 38.000 0.006 0.000 1.415 330 I HN 0.265 nan 8.210 nan 0.000 0.502 331 V N 6.759 126.681 119.914 0.013 0.000 2.370 331 V HA 0.888 5.007 4.120 -0.002 0.000 0.279 331 V C 0.644 176.735 176.094 -0.006 0.000 1.029 331 V CA -0.089 62.248 62.300 0.062 0.000 0.870 331 V CB 0.678 32.554 31.823 0.089 0.000 0.984 331 V HN 0.939 nan 8.190 nan 0.000 0.451 332 G N 2.796 111.624 108.800 0.046 0.000 2.772 332 G HA2 0.450 4.409 3.960 -0.002 0.000 0.284 332 G HA3 0.450 4.409 3.960 -0.002 0.000 0.284 332 G C -0.773 174.162 174.900 0.058 0.000 1.217 332 G CA -0.294 44.765 45.100 -0.069 0.000 0.831 332 G HN 0.581 nan 8.290 nan 0.000 0.523 333 S N 1.264 116.971 115.700 0.012 0.000 2.565 333 S HA 0.412 4.881 4.470 -0.002 0.000 0.276 333 S C -0.633 174.004 174.600 0.061 0.000 1.326 333 S CA -0.992 57.250 58.200 0.070 0.000 1.045 333 S CB 1.402 64.615 63.200 0.021 0.000 0.918 333 S HN 0.331 nan 8.310 nan 0.000 0.505 334 P HA -0.108 nan 4.420 nan 0.000 0.218 334 P C 0.690 177.985 177.300 -0.009 0.000 1.148 334 P CA 1.317 64.355 63.100 -0.103 0.000 0.822 334 P CB -0.061 31.443 31.700 -0.328 0.000 0.784 335 F N -0.144 119.844 119.950 0.063 0.000 2.797 335 F HA 0.154 4.680 4.527 -0.002 0.000 0.302 335 F C 0.896 176.685 175.800 -0.020 0.000 1.130 335 F CA -0.826 57.165 58.000 -0.014 0.000 1.387 335 F CB -0.964 37.981 39.000 -0.092 0.000 1.107 335 F HN -0.072 nan 8.300 nan 0.000 0.577 336 D N 2.306 122.812 120.400 0.177 0.000 2.359 336 D HA 0.149 4.788 4.640 -0.002 0.000 0.230 336 D C -1.677 174.694 176.300 0.119 0.000 1.118 336 D CA -2.736 51.329 54.000 0.109 0.000 0.844 336 D CB 1.321 42.160 40.800 0.065 0.000 1.059 336 D HN -0.086 nan 8.370 nan 0.000 0.493 337 P HA -0.165 nan 4.420 nan 0.000 0.229 337 P C 0.647 178.008 177.300 0.101 0.000 1.147 337 P CA 1.062 64.238 63.100 0.126 0.000 0.766 337 P CB -0.076 31.681 31.700 0.095 0.000 0.775 338 T N -5.305 109.296 114.554 0.078 0.000 3.044 338 T HA 0.069 4.418 4.350 -0.002 0.000 0.260 338 T C 0.791 175.528 174.700 0.061 0.000 1.019 338 T CA -0.068 62.067 62.100 0.059 0.000 0.921 338 T CB -0.790 68.098 68.868 0.034 0.000 1.053 338 T HN 0.179 nan 8.240 nan 0.000 0.533 339 T N 0.651 115.252 114.554 0.078 0.000 2.869 339 T HA 0.395 4.744 4.350 -0.002 0.000 0.295 339 T C 0.469 175.227 174.700 0.096 0.000 0.987 339 T CA -0.611 61.537 62.100 0.080 0.000 1.109 339 T CB 1.500 70.424 68.868 0.092 0.000 0.932 339 T HN 0.360 nan 8.240 nan 0.000 0.518 340 E N 1.384 121.635 120.200 0.085 0.000 2.473 340 E HA 0.105 4.454 4.350 -0.002 0.000 0.204 340 E C 0.544 177.198 176.600 0.090 0.000 0.994 340 E CA -0.150 56.308 56.400 0.096 0.000 0.945 340 E CB 0.628 30.380 29.700 0.088 0.000 0.990 340 E HN 0.749 nan 8.360 nan 0.000 0.493 341 Q N 0.777 120.631 119.800 0.090 0.000 2.295 341 Q HA 0.394 4.733 4.340 -0.002 0.000 0.259 341 Q C -0.515 175.568 176.000 0.139 0.000 0.966 341 Q CA -0.560 55.298 55.803 0.093 0.000 0.763 341 Q CB 1.510 30.305 28.738 0.096 0.000 1.283 341 Q HN 0.153 nan 8.270 nan 0.000 0.445 342 G N 3.425 112.263 108.800 0.063 0.000 2.494 342 G HA2 0.529 4.488 3.960 -0.002 0.000 0.270 342 G HA3 0.529 4.488 3.960 -0.002 0.000 0.270 342 G C -2.434 172.329 174.900 -0.228 0.000 1.423 342 G CA -0.814 44.297 45.100 0.017 0.000 1.055 342 G HN 0.548 nan 8.290 nan 0.000 0.536 343 P HA 0.215 nan 4.420 nan 0.000 0.293 343 P C -0.948 176.162 177.300 -0.316 0.000 1.304 343 P CA -0.379 62.201 63.100 -0.868 0.000 0.767 343 P CB 0.890 31.861 31.700 -1.214 0.000 1.247 344 Q N -0.130 119.576 119.800 -0.158 0.000 2.230 344 Q HA 0.177 4.516 4.340 -0.002 0.000 0.248 344 Q C 1.058 176.903 176.000 -0.258 0.000 0.915 344 Q CA -0.720 55.010 55.803 -0.122 0.000 0.900 344 Q CB 1.146 29.892 28.738 0.013 0.000 1.229 344 Q HN 0.371 nan 8.270 nan 0.000 0.439 345 I N 0.706 121.007 120.570 -0.449 0.000 2.248 345 I HA -0.247 3.922 4.170 -0.002 0.000 0.248 345 I C -0.015 175.695 176.117 -0.679 0.000 1.107 345 I CA 1.907 62.829 61.300 -0.630 0.000 1.373 345 I CB 0.235 37.491 38.000 -1.240 0.000 1.055 345 I HN 0.487 nan 8.210 nan 0.000 0.418 346 D N -2.046 117.881 120.400 -0.788 0.000 2.570 346 D HA 0.191 4.830 4.640 -0.002 0.000 0.244 346 D C 0.397 176.033 176.300 -1.107 0.000 1.178 346 D CA -0.441 52.986 54.000 -0.955 0.000 0.881 346 D CB 1.914 42.339 40.800 -0.626 0.000 1.453 346 D HN -0.053 nan 8.370 nan 0.000 0.447 347 K N 0.852 120.566 120.400 -1.143 0.000 2.062 347 K HA -0.058 4.261 4.320 -0.002 0.000 0.205 347 K C 1.577 178.102 176.600 -0.124 0.000 1.051 347 K CA 1.100 57.082 56.287 -0.508 0.000 0.941 347 K CB 0.195 32.621 32.500 -0.124 0.000 0.719 347 K HN 0.181 nan 8.250 nan 0.000 0.440 348 K N 0.491 120.781 120.400 -0.182 0.000 2.032 348 K HA -0.261 4.058 4.320 -0.002 0.000 0.209 348 K C 2.321 178.882 176.600 -0.064 0.000 1.048 348 K CA 1.992 58.228 56.287 -0.085 0.000 0.927 348 K CB -0.041 32.397 32.500 -0.104 0.000 0.712 348 K HN 0.141 nan 8.250 nan 0.000 0.441 349 Q N -0.547 119.157 119.800 -0.160 0.000 2.172 349 Q HA -0.173 4.166 4.340 -0.002 0.000 0.200 349 Q C 1.785 177.805 176.000 0.032 0.000 0.964 349 Q CA 1.327 57.055 55.803 -0.124 0.000 0.855 349 Q CB -0.329 28.229 28.738 -0.300 0.000 0.918 349 Q HN 0.442 nan 8.270 nan 0.000 0.444 350 Y N 0.851 121.073 120.300 -0.128 0.000 2.049 350 Y HA -0.287 4.261 4.550 -0.002 0.000 0.277 350 Y C 1.779 177.716 175.900 0.061 0.000 1.143 350 Y CA 2.327 60.419 58.100 -0.014 0.000 1.115 350 Y CB -0.533 37.929 38.460 0.003 0.000 0.975 350 Y HN 0.231 nan 8.280 nan 0.000 0.487 351 N N 0.786 119.530 118.700 0.072 0.000 2.036 351 N HA -0.255 4.484 4.740 -0.002 0.000 0.195 351 N C 1.918 177.423 175.510 -0.009 0.000 1.037 351 N CA 1.872 54.922 53.050 0.000 0.000 0.855 351 N CB -0.650 37.895 38.487 0.096 0.000 1.033 351 N HN 0.389 nan 8.380 nan 0.000 0.423 352 K N 0.883 121.328 120.400 0.075 0.000 2.052 352 K HA -0.129 4.190 4.320 -0.002 0.000 0.215 352 K C 2.151 178.822 176.600 0.118 0.000 1.053 352 K CA 1.346 57.723 56.287 0.150 0.000 0.934 352 K CB -0.224 32.460 32.500 0.305 0.000 0.717 352 K HN 0.138 nan 8.250 nan 0.000 0.450 353 I N 0.817 121.464 120.570 0.130 0.000 2.208 353 I HA -0.335 3.834 4.170 -0.002 0.000 0.245 353 I C 2.213 178.310 176.117 -0.033 0.000 1.097 353 I CA 1.230 62.558 61.300 0.046 0.000 1.363 353 I CB -0.328 37.712 38.000 0.067 0.000 1.051 353 I HN 0.202 nan 8.210 nan 0.000 0.413 354 L N 0.113 121.268 121.223 -0.113 0.000 1.988 354 L HA -0.189 4.150 4.340 -0.002 0.000 0.207 354 L C 2.571 179.426 176.870 -0.025 0.000 1.071 354 L CA 1.287 56.066 54.840 -0.101 0.000 0.744 354 L CB -0.625 41.316 42.059 -0.198 0.000 0.893 354 L HN 0.096 nan 8.230 nan 0.000 0.433 355 E N 0.090 120.280 120.200 -0.017 0.000 2.219 355 E HA -0.249 4.100 4.350 -0.002 0.000 0.198 355 E C 1.845 178.447 176.600 0.005 0.000 0.998 355 E CA 1.033 57.436 56.400 0.005 0.000 0.818 355 E CB -0.277 29.432 29.700 0.016 0.000 0.741 355 E HN 0.185 nan 8.360 nan 0.000 0.477 356 L N -0.225 120.996 121.223 -0.002 0.000 2.240 356 L HA 0.063 4.402 4.340 -0.002 0.000 0.211 356 L C 1.711 178.586 176.870 0.008 0.000 1.106 356 L CA 1.135 55.962 54.840 -0.023 0.000 0.793 356 L CB -0.063 41.956 42.059 -0.066 0.000 0.927 356 L HN 0.147 nan 8.230 nan 0.000 0.446 357 I N -1.183 119.429 120.570 0.070 0.000 2.286 357 I HA -0.261 3.908 4.170 -0.002 0.000 0.245 357 I C 2.313 178.548 176.117 0.197 0.000 1.104 357 I CA 0.889 62.318 61.300 0.215 0.000 1.397 357 I CB -0.186 37.915 38.000 0.169 0.000 1.072 357 I HN 0.317 nan 8.210 nan 0.000 0.417 358 Q N 0.046 119.903 119.800 0.095 0.000 2.084 358 Q HA -0.207 4.132 4.340 -0.002 0.000 0.202 358 Q C 2.377 178.394 176.000 0.028 0.000 0.978 358 Q CA 1.877 57.722 55.803 0.069 0.000 0.844 358 Q CB -0.246 28.515 28.738 0.039 0.000 0.898 358 Q HN 0.357 nan 8.270 nan 0.000 0.426 359 S N 0.075 115.771 115.700 -0.007 0.000 2.359 359 S HA -0.203 4.266 4.470 -0.002 0.000 0.223 359 S C 1.961 176.492 174.600 -0.114 0.000 1.039 359 S CA 1.588 59.757 58.200 -0.051 0.000 1.042 359 S CB -0.747 62.418 63.200 -0.059 0.000 0.915 359 S HN 0.595 nan 8.310 nan 0.000 0.439 360 G N 0.665 109.335 108.800 -0.217 0.000 2.446 360 G HA2 -0.159 3.800 3.960 -0.002 0.000 0.217 360 G HA3 -0.159 3.800 3.960 -0.002 0.000 0.217 360 G C 1.509 176.223 174.900 -0.309 0.000 1.168 360 G CA 1.146 45.969 45.100 -0.462 0.000 0.771 360 G HN 0.486 nan 8.290 nan 0.000 0.551 361 V N 1.448 121.307 119.914 -0.091 0.000 2.392 361 V HA -0.080 4.039 4.120 -0.002 0.000 0.249 361 V C 2.865 178.965 176.094 0.010 0.000 1.059 361 V CA 1.726 64.069 62.300 0.071 0.000 1.051 361 V CB -0.637 31.287 31.823 0.167 0.000 0.658 361 V HN 0.455 nan 8.190 nan 0.000 0.455 362 A N -1.077 121.734 122.820 -0.015 0.000 2.412 362 A HA 0.190 4.509 4.320 -0.002 0.000 0.253 362 A C 1.429 178.990 177.584 -0.038 0.000 1.334 362 A CA 0.517 52.544 52.037 -0.016 0.000 0.929 362 A CB -0.348 18.646 19.000 -0.009 0.000 0.983 362 A HN 0.594 nan 8.150 nan 0.000 0.508 363 E N -2.509 117.654 120.200 -0.061 0.000 2.703 363 E HA 0.295 4.644 4.350 -0.002 0.000 0.214 363 E C 0.908 177.468 176.600 -0.067 0.000 0.944 363 E CA 0.618 56.977 56.400 -0.069 0.000 1.299 363 E CB 0.581 30.223 29.700 -0.097 0.000 1.189 363 E HN 0.637 nan 8.360 nan 0.000 0.597 364 G N 0.814 109.582 108.800 -0.054 0.000 2.428 364 G HA2 -0.196 3.763 3.960 -0.002 0.000 0.199 364 G HA3 -0.196 3.763 3.960 -0.002 0.000 0.199 364 G C 0.490 175.374 174.900 -0.027 0.000 1.005 364 G CA -0.248 44.830 45.100 -0.036 0.000 0.671 364 G HN 0.460 nan 8.290 nan 0.000 0.485 365 A N 0.678 123.449 122.820 -0.082 0.000 2.587 365 A HA 0.440 4.759 4.320 -0.002 0.000 0.233 365 A C 0.691 178.355 177.584 0.133 0.000 1.049 365 A CA 1.470 53.475 52.037 -0.053 0.000 0.754 365 A CB 0.156 18.909 19.000 -0.411 0.000 0.977 365 A HN 0.669 nan 8.150 nan 0.000 0.509 366 K N 3.049 123.576 120.400 0.211 0.000 2.319 366 K HA 0.255 4.574 4.320 -0.002 0.000 0.237 366 K C -0.342 176.409 176.600 0.253 0.000 1.113 366 K CA -0.648 55.759 56.287 0.199 0.000 1.072 366 K CB -0.120 32.462 32.500 0.137 0.000 1.734 366 K HN 0.605 nan 8.250 nan 0.000 0.429 367 L N 4.488 125.897 121.223 0.310 0.000 2.921 367 L HA -0.076 4.263 4.340 -0.002 0.000 0.299 367 L C 0.922 177.769 176.870 -0.038 0.000 1.120 367 L CA 0.863 55.724 54.840 0.035 0.000 1.158 367 L CB -0.108 41.973 42.059 0.036 0.000 1.518 367 L HN 0.565 nan 8.230 nan 0.000 0.433 368 E N 2.975 123.147 120.200 -0.047 0.000 2.153 368 E HA -0.079 4.270 4.350 -0.002 0.000 0.194 368 E C 0.687 177.250 176.600 -0.062 0.000 0.988 368 E CA 1.138 57.519 56.400 -0.032 0.000 0.811 368 E CB -0.212 29.478 29.700 -0.017 0.000 0.746 368 E HN 0.823 nan 8.360 nan 0.000 0.466 369 C N -3.965 115.268 119.300 -0.112 0.000 3.292 369 C HA 0.719 5.178 4.460 -0.002 0.000 0.338 369 C C 0.864 175.780 174.990 -0.123 0.000 1.323 369 C CA -0.511 58.451 59.018 -0.094 0.000 1.232 369 C CB 1.120 28.818 27.740 -0.069 0.000 1.517 369 C HN 0.563 nan 8.230 nan 0.000 0.470 370 G N 0.596 109.347 108.800 -0.082 0.000 2.575 370 G HA2 0.373 4.332 3.960 -0.002 0.000 0.267 370 G HA3 0.373 4.332 3.960 -0.002 0.000 0.267 370 G C 1.069 175.918 174.900 -0.084 0.000 1.264 370 G CA 2.106 47.165 45.100 -0.068 0.000 0.935 370 G HN 3.280 nan 8.290 nan 0.000 0.568 371 G N -2.065 106.692 108.800 -0.071 0.000 2.545 371 G HA2 0.171 4.130 3.960 -0.002 0.000 0.195 371 G HA3 0.171 4.130 3.960 -0.002 0.000 0.195 371 G C 0.347 175.244 174.900 -0.005 0.000 1.009 371 G CA 1.213 46.279 45.100 -0.057 0.000 0.703 371 G HN 1.790 nan 8.290 nan 0.000 0.479 372 K N 0.423 120.830 120.400 0.011 0.000 2.261 372 K HA 0.773 5.092 4.320 -0.002 0.000 0.242 372 K C 0.847 177.490 176.600 0.071 0.000 1.083 372 K CA -0.317 55.989 56.287 0.032 0.000 0.880 372 K CB 1.132 33.656 32.500 0.041 0.000 1.353 372 K HN 0.481 nan 8.250 nan 0.000 0.486 373 G N 0.134 109.010 108.800 0.127 0.000 2.486 373 G HA2 0.232 4.191 3.960 -0.002 0.000 0.272 373 G HA3 0.232 4.191 3.960 -0.002 0.000 0.272 373 G C 0.375 175.382 174.900 0.178 0.000 1.426 373 G CA -0.539 44.711 45.100 0.251 0.000 1.058 373 G HN 0.442 nan 8.290 nan 0.000 0.531 374 L N -1.268 120.068 121.223 0.189 0.000 3.076 374 L HA 0.452 4.791 4.340 -0.002 0.000 0.173 374 L C 1.525 178.416 176.870 0.034 0.000 1.343 374 L CA 0.643 55.534 54.840 0.084 0.000 0.894 374 L CB -0.157 41.931 42.059 0.048 0.000 1.372 374 L HN 0.684 nan 8.230 nan 0.000 0.565 375 G N -0.966 107.836 108.800 0.004 0.000 3.243 375 G HA2 0.468 4.427 3.960 -0.002 0.000 0.248 375 G HA3 0.468 4.427 3.960 -0.002 0.000 0.248 375 G C -1.345 173.532 174.900 -0.038 0.000 1.267 375 G CA -0.572 44.510 45.100 -0.030 0.000 0.906 375 G HN -0.014 nan 8.290 nan 0.000 0.592 376 R N -0.019 120.445 120.500 -0.060 0.000 2.543 376 R HA 0.524 4.863 4.340 -0.002 0.000 0.268 376 R C -0.369 175.865 176.300 -0.109 0.000 1.067 376 R CA -0.265 55.788 56.100 -0.078 0.000 1.142 376 R CB 0.223 30.485 30.300 -0.064 0.000 1.110 376 R HN 0.538 nan 8.270 nan 0.000 0.549 377 K N 0.715 121.024 120.400 -0.151 0.000 7.323 377 K HA -0.183 4.136 4.320 -0.002 0.000 0.689 377 K C -0.397 176.081 176.600 -0.204 0.000 2.565 377 K CA 1.029 57.203 56.287 -0.189 0.000 1.883 377 K CB -0.877 31.551 32.500 -0.121 0.000 1.982 377 K HN 1.126 nan 8.250 nan 0.000 0.295 378 G N 1.965 110.503 108.800 -0.437 0.000 2.699 378 G HA2 -0.118 3.841 3.960 -0.002 0.000 0.686 378 G HA3 -0.118 3.841 3.960 -0.002 0.000 0.686 378 G C -0.692 173.766 174.900 -0.736 0.000 1.301 378 G CA -0.548 44.282 45.100 -0.451 0.000 0.816 378 G HN 0.441 nan 8.290 nan 0.000 0.595 379 F N 0.482 120.263 119.950 -0.283 0.000 2.893 379 F HA 0.503 5.029 4.527 -0.001 0.000 0.340 379 F C 0.666 176.362 175.800 -0.173 0.000 1.300 379 F CA -0.902 56.866 58.000 -0.386 0.000 1.227 379 F CB 0.046 38.846 39.000 -0.333 0.000 1.044 379 F HN 0.317 nan 8.300 nan 0.000 0.512 380 F N 1.176 121.175 119.950 0.083 0.000 2.406 380 F HA 0.508 5.034 4.527 -0.001 0.000 0.327 380 F C 0.424 176.389 175.800 0.276 0.000 1.153 380 F CA -0.747 57.339 58.000 0.145 0.000 1.218 380 F CB 0.654 39.682 39.000 0.048 0.000 1.215 380 F HN -0.140 nan 8.300 nan 0.000 0.570 381 I N 1.136 121.932 120.570 0.376 0.000 2.571 381 I HA 0.139 4.308 4.170 -0.002 0.000 0.286 381 I C -0.605 175.623 176.117 0.185 0.000 1.134 381 I CA -0.880 60.579 61.300 0.265 0.000 1.052 381 I CB 1.872 39.983 38.000 0.186 0.000 1.237 381 I HN 0.659 nan 8.210 nan 0.000 0.435 382 E N 6.952 127.232 120.200 0.133 0.000 2.467 382 E HA 0.090 4.439 4.350 -0.002 0.000 0.264 382 E C -2.426 174.211 176.600 0.062 0.000 1.020 382 E CA -1.412 55.033 56.400 0.076 0.000 0.945 382 E CB 0.001 29.724 29.700 0.037 0.000 0.942 382 E HN 0.183 nan 8.360 nan 0.000 0.449 383 P HA -0.006 nan 4.420 nan 0.000 0.260 383 P C -1.013 176.308 177.300 0.036 0.000 1.207 383 P CA 0.438 63.538 63.100 -0.000 0.000 0.780 383 P CB 0.559 32.124 31.700 -0.226 0.000 0.789 384 T N 2.586 117.213 114.554 0.121 0.000 2.928 384 T HA 0.528 4.877 4.350 -0.002 0.000 0.284 384 T C -0.182 174.530 174.700 0.020 0.000 1.008 384 T CA -0.372 61.711 62.100 -0.029 0.000 1.057 384 T CB 0.907 69.712 68.868 -0.105 0.000 1.018 384 T HN -0.009 nan 8.240 nan 0.000 0.493 385 V N 2.865 122.668 119.914 -0.186 0.000 2.671 385 V HA 0.349 4.468 4.120 -0.002 0.000 0.292 385 V C -1.213 174.758 176.094 -0.204 0.000 1.115 385 V CA -0.901 61.354 62.300 -0.076 0.000 0.918 385 V CB 0.959 32.810 31.823 0.047 0.000 1.036 385 V HN 0.753 nan 8.190 nan 0.000 0.445 386 F N 1.968 121.950 119.950 0.055 0.000 2.380 386 F HA 0.804 5.330 4.527 -0.002 0.000 0.321 386 F C 0.926 176.758 175.800 0.054 0.000 1.103 386 F CA 0.095 58.119 58.000 0.040 0.000 1.067 386 F CB 1.932 40.941 39.000 0.016 0.000 1.265 386 F HN 0.488 nan 8.300 nan 0.000 0.517 387 S N -0.334 115.556 115.700 0.316 0.000 2.806 387 S HA 0.365 4.834 4.470 -0.002 0.000 0.306 387 S C -0.948 173.779 174.600 0.211 0.000 1.167 387 S CA -0.812 57.534 58.200 0.244 0.000 0.847 387 S CB 0.856 64.174 63.200 0.196 0.000 1.216 387 S HN 0.639 nan 8.310 nan 0.000 0.532 388 N N 0.263 119.104 118.700 0.235 0.000 2.718 388 N HA -0.140 4.599 4.740 -0.002 0.000 0.268 388 N C -0.837 174.684 175.510 0.019 0.000 0.965 388 N CA 0.751 53.854 53.050 0.088 0.000 0.817 388 N CB -1.015 37.510 38.487 0.064 0.000 0.914 388 N HN 0.359 nan 8.380 nan 0.000 0.558 389 V N -0.283 119.631 119.914 -0.000 0.000 2.617 389 V HA 0.623 4.742 4.120 -0.002 0.000 0.298 389 V C 0.829 176.861 176.094 -0.104 0.000 1.048 389 V CA -0.395 61.864 62.300 -0.068 0.000 0.964 389 V CB 1.918 33.691 31.823 -0.082 0.000 1.004 389 V HN 0.461 nan 8.190 nan 0.000 0.466 390 T N -1.119 113.373 114.554 -0.103 0.000 2.907 390 T HA 0.373 4.722 4.350 -0.002 0.000 0.292 390 T C 0.385 175.036 174.700 -0.082 0.000 1.043 390 T CA -0.681 61.366 62.100 -0.090 0.000 1.003 390 T CB 1.705 70.534 68.868 -0.065 0.000 1.084 390 T HN 0.477 nan 8.240 nan 0.000 0.483 391 D N 1.041 121.408 120.400 -0.055 0.000 2.203 391 D HA -0.166 4.472 4.640 -0.002 0.000 0.199 391 D C 1.824 178.108 176.300 -0.027 0.000 0.997 391 D CA 1.865 55.850 54.000 -0.024 0.000 0.863 391 D CB -0.047 40.766 40.800 0.021 0.000 0.928 391 D HN 0.812 nan 8.370 nan 0.000 0.458 392 D N 0.086 120.467 120.400 -0.032 0.000 2.178 392 D HA -0.148 4.491 4.640 -0.002 0.000 0.202 392 D C 0.817 177.089 176.300 -0.048 0.000 0.974 392 D CA 0.240 54.221 54.000 -0.032 0.000 0.841 392 D CB -0.426 40.357 40.800 -0.029 0.000 0.953 392 D HN 0.251 nan 8.370 nan 0.000 0.478 393 M N 1.163 120.721 119.600 -0.069 0.000 2.260 393 M HA 0.036 4.515 4.480 -0.002 0.000 0.348 393 M C 1.778 178.021 176.300 -0.095 0.000 1.342 393 M CA -0.053 55.190 55.300 -0.095 0.000 1.040 393 M CB 1.331 33.850 32.600 -0.135 0.000 1.810 393 M HN -0.092 nan 8.290 nan 0.000 0.453 394 R N 3.911 124.356 120.500 -0.092 0.000 2.096 394 R HA -0.203 4.136 4.340 -0.002 0.000 0.240 394 R C 1.797 178.037 176.300 -0.100 0.000 1.139 394 R CA 2.409 58.461 56.100 -0.081 0.000 0.952 394 R CB -0.541 29.716 30.300 -0.072 0.000 0.854 394 R HN 0.906 nan 8.270 nan 0.000 0.436 395 I N -1.987 118.495 120.570 -0.147 0.000 2.657 395 I HA -0.081 4.088 4.170 -0.002 0.000 0.261 395 I C 2.021 178.063 176.117 -0.124 0.000 1.212 395 I CA 1.572 62.777 61.300 -0.159 0.000 1.453 395 I CB -0.330 37.517 38.000 -0.255 0.000 1.092 395 I HN 0.137 nan 8.210 nan 0.000 0.452 396 A N 1.578 124.330 122.820 -0.112 0.000 1.924 396 A HA 0.051 4.370 4.320 -0.002 0.000 0.211 396 A C 2.379 179.938 177.584 -0.042 0.000 1.198 396 A CA 0.549 52.536 52.037 -0.084 0.000 0.657 396 A CB -0.210 18.731 19.000 -0.098 0.000 0.852 396 A HN 0.342 nan 8.150 nan 0.000 0.454 397 K N 0.461 120.838 120.400 -0.038 0.000 2.007 397 K HA -0.015 4.304 4.320 -0.002 0.000 0.206 397 K C 0.325 176.920 176.600 -0.008 0.000 1.047 397 K CA 0.763 57.043 56.287 -0.011 0.000 0.937 397 K CB -0.106 32.388 32.500 -0.011 0.000 0.718 397 K HN 0.557 nan 8.250 nan 0.000 0.438 398 E N 1.164 121.346 120.200 -0.030 0.000 2.371 398 E HA 0.037 4.386 4.350 -0.002 0.000 0.257 398 E C -0.283 176.278 176.600 -0.065 0.000 1.134 398 E CA -0.222 56.158 56.400 -0.033 0.000 0.919 398 E CB 0.832 30.503 29.700 -0.048 0.000 1.025 398 E HN 0.080 nan 8.360 nan 0.000 0.438 399 E N 1.670 121.827 120.200 -0.073 0.000 2.249 399 E HA 0.177 4.526 4.350 -0.002 0.000 0.280 399 E C -1.100 175.276 176.600 -0.374 0.000 1.016 399 E CA -0.700 55.633 56.400 -0.112 0.000 0.830 399 E CB 0.717 30.425 29.700 0.012 0.000 1.081 399 E HN 0.237 nan 8.360 nan 0.000 0.395 400 I N 5.341 125.716 120.570 -0.325 0.000 2.306 400 I HA 0.114 4.283 4.170 -0.002 0.000 0.288 400 I C -0.266 175.659 176.117 -0.320 0.000 1.036 400 I CA -0.503 60.514 61.300 -0.471 0.000 1.221 400 I CB 0.223 38.098 38.000 -0.208 0.000 1.385 400 I HN 0.311 nan 8.210 nan 0.000 0.472 401 F N 3.954 123.947 119.950 0.071 0.000 2.759 401 F HA 0.855 5.381 4.527 -0.002 0.000 0.322 401 F C 0.698 176.551 175.800 0.090 0.000 1.199 401 F CA -1.273 56.783 58.000 0.093 0.000 1.272 401 F CB -0.594 38.487 39.000 0.136 0.000 1.467 401 F HN 0.423 nan 8.300 nan 0.000 0.561 402 G N 0.285 109.197 108.800 0.188 0.000 2.600 402 G HA2 0.446 4.405 3.960 -0.002 0.000 0.293 402 G HA3 0.446 4.405 3.960 -0.002 0.000 0.293 402 G C -3.150 171.809 174.900 0.097 0.000 1.408 402 G CA -1.398 43.803 45.100 0.168 0.000 0.782 402 G HN -0.135 nan 8.290 nan 0.000 0.482 403 P HA 0.193 nan 4.420 nan 0.000 0.238 403 P C -0.443 177.014 177.300 0.262 0.000 1.649 403 P CA 0.276 63.569 63.100 0.321 0.000 0.960 403 P CB -0.215 31.726 31.700 0.401 0.000 1.911 404 V N 1.889 121.783 119.914 -0.034 0.000 2.577 404 V HA 0.374 4.493 4.120 -0.002 0.000 0.303 404 V C 0.056 176.055 176.094 -0.158 0.000 1.042 404 V CA -0.697 61.593 62.300 -0.017 0.000 0.872 404 V CB 2.024 33.880 31.823 0.055 0.000 0.998 404 V HN 0.285 nan 8.190 nan 0.000 0.423 405 Q N 2.446 122.189 119.800 -0.095 0.000 2.321 405 Q HA 0.753 5.092 4.340 -0.002 0.000 0.270 405 Q C -1.124 174.921 176.000 0.075 0.000 1.032 405 Q CA -0.750 54.996 55.803 -0.094 0.000 0.784 405 Q CB 2.727 31.365 28.738 -0.166 0.000 1.264 405 Q HN 0.667 nan 8.270 nan 0.000 0.448 406 E N 2.602 122.843 120.200 0.067 0.000 2.280 406 E HA 0.543 4.892 4.350 -0.002 0.000 0.264 406 E C -0.707 175.936 176.600 0.071 0.000 1.064 406 E CA -0.531 55.930 56.400 0.102 0.000 0.900 406 E CB 1.512 31.220 29.700 0.013 0.000 1.123 406 E HN 0.621 nan 8.360 nan 0.000 0.418 407 I N 2.555 123.181 120.570 0.094 0.000 2.719 407 I HA 0.151 4.320 4.170 -0.002 0.000 0.275 407 I C -1.251 174.964 176.117 0.165 0.000 1.228 407 I CA -0.548 60.826 61.300 0.123 0.000 1.035 407 I CB 0.291 38.404 38.000 0.189 0.000 1.286 407 I HN 0.161 nan 8.210 nan 0.000 0.531 408 L N 4.089 125.260 121.223 -0.088 0.000 2.464 408 L HA 0.408 4.747 4.340 -0.002 0.000 0.264 408 L C 0.599 177.468 176.870 -0.002 0.000 1.199 408 L CA 0.295 55.026 54.840 -0.181 0.000 0.818 408 L CB 0.157 41.839 42.059 -0.628 0.000 1.102 408 L HN 0.533 nan 8.230 nan 0.000 0.473 409 R N 1.271 121.691 120.500 -0.133 0.000 2.787 409 R HA 0.754 5.093 4.340 -0.002 0.000 0.271 409 R C -1.382 174.965 176.300 0.078 0.000 0.993 409 R CA -0.486 55.501 56.100 -0.189 0.000 0.993 409 R CB 1.434 31.251 30.300 -0.805 0.000 1.155 409 R HN 0.581 nan 8.270 nan 0.000 0.486 410 F N -0.049 119.841 119.950 -0.099 0.000 2.745 410 F HA 0.470 4.997 4.527 -0.001 0.000 0.316 410 F C -0.390 175.376 175.800 -0.057 0.000 1.155 410 F CA -0.934 57.037 58.000 -0.048 0.000 0.937 410 F CB 1.408 40.419 39.000 0.017 0.000 1.361 410 F HN 0.583 nan 8.300 nan 0.000 0.472 411 K N -0.361 120.074 120.400 0.059 0.000 2.494 411 K HA 0.226 4.545 4.320 -0.002 0.000 0.201 411 K C 0.031 176.693 176.600 0.102 0.000 1.338 411 K CA 0.864 57.123 56.287 -0.047 0.000 0.935 411 K CB 0.569 33.061 32.500 -0.014 0.000 1.514 411 K HN 0.921 nan 8.250 nan 0.000 0.490 412 T N -1.420 113.257 114.554 0.205 0.000 2.943 412 T HA 0.201 4.550 4.350 -0.002 0.000 0.284 412 T C 1.139 176.006 174.700 0.278 0.000 1.015 412 T CA -0.784 61.438 62.100 0.203 0.000 1.042 412 T CB 1.528 70.470 68.868 0.124 0.000 1.055 412 T HN 0.192 nan 8.240 nan 0.000 0.500 413 M N 0.819 120.582 119.600 0.272 0.000 2.086 413 M HA -0.116 4.363 4.480 -0.002 0.000 0.261 413 M C 1.340 177.709 176.300 0.116 0.000 1.067 413 M CA 1.919 57.387 55.300 0.279 0.000 1.116 413 M CB -0.530 32.235 32.600 0.274 0.000 1.348 413 M HN 0.715 nan 8.290 nan 0.000 0.407 414 D N 0.215 120.667 120.400 0.086 0.000 2.228 414 D HA -0.240 4.399 4.640 -0.002 0.000 0.203 414 D C 1.689 177.994 176.300 0.009 0.000 0.988 414 D CA 1.575 55.596 54.000 0.034 0.000 0.864 414 D CB -0.332 40.489 40.800 0.034 0.000 0.928 414 D HN 0.657 nan 8.370 nan 0.000 0.469 415 E N 1.039 121.259 120.200 0.034 0.000 2.006 415 E HA -0.163 4.186 4.350 -0.002 0.000 0.192 415 E C 2.362 178.913 176.600 -0.081 0.000 0.993 415 E CA 1.640 58.051 56.400 0.019 0.000 0.808 415 E CB 0.111 29.869 29.700 0.097 0.000 0.764 415 E HN 0.119 nan 8.360 nan 0.000 0.449 416 V N 0.507 120.298 119.914 -0.205 0.000 2.324 416 V HA -0.276 3.843 4.120 -0.002 0.000 0.250 416 V C 2.526 178.378 176.094 -0.404 0.000 1.060 416 V CA 1.873 63.868 62.300 -0.508 0.000 1.042 416 V CB -0.963 30.284 31.823 -0.960 0.000 0.650 416 V HN 0.304 nan 8.190 nan 0.000 0.450 417 I N 0.046 120.480 120.570 -0.226 0.000 2.208 417 I HA -0.210 3.959 4.170 -0.002 0.000 0.245 417 I C 2.764 178.792 176.117 -0.148 0.000 1.097 417 I CA 1.893 63.096 61.300 -0.162 0.000 1.363 417 I CB -0.396 37.559 38.000 -0.075 0.000 1.051 417 I HN 0.325 nan 8.210 nan 0.000 0.413 418 E N 0.674 120.805 120.200 -0.114 0.000 2.046 418 E HA -0.093 4.256 4.350 -0.002 0.000 0.190 418 E C 2.271 178.815 176.600 -0.093 0.000 0.982 418 E CA 0.966 57.317 56.400 -0.081 0.000 0.800 418 E CB -0.072 29.601 29.700 -0.044 0.000 0.756 418 E HN 0.250 nan 8.360 nan 0.000 0.449 419 R N 0.006 120.439 120.500 -0.112 0.000 2.096 419 R HA -0.080 4.259 4.340 -0.002 0.000 0.229 419 R C 2.302 178.512 176.300 -0.151 0.000 1.134 419 R CA 1.403 57.459 56.100 -0.073 0.000 0.917 419 R CB -0.701 29.614 30.300 0.025 0.000 0.832 419 R HN 0.183 nan 8.270 nan 0.000 0.430 420 A N 1.540 124.099 122.820 -0.435 0.000 2.032 420 A HA -0.214 4.105 4.320 -0.002 0.000 0.221 420 A C 1.881 179.349 177.584 -0.193 0.000 1.165 420 A CA 1.604 53.376 52.037 -0.442 0.000 0.645 420 A CB -0.573 18.012 19.000 -0.692 0.000 0.807 420 A HN 0.302 nan 8.150 nan 0.000 0.453 421 N N 0.434 119.036 118.700 -0.163 0.000 2.331 421 N HA -0.097 4.642 4.740 -0.002 0.000 0.180 421 N C 0.455 175.926 175.510 -0.066 0.000 1.019 421 N CA 0.278 53.266 53.050 -0.103 0.000 0.881 421 N CB -0.482 37.947 38.487 -0.097 0.000 0.972 421 N HN 0.435 nan 8.380 nan 0.000 0.435 422 N N 1.380 120.051 118.700 -0.049 0.000 2.396 422 N HA -0.077 4.662 4.740 -0.002 0.000 0.287 422 N C -1.228 174.284 175.510 0.004 0.000 1.316 422 N CA 0.553 53.593 53.050 -0.017 0.000 0.972 422 N CB -0.105 38.383 38.487 0.001 0.000 1.341 422 N HN 0.032 nan 8.380 nan 0.000 0.487 423 S N 2.629 118.330 115.700 0.000 0.000 2.543 423 S HA 0.193 4.662 4.470 -0.002 0.000 0.273 423 S C -1.562 173.063 174.600 0.042 0.000 1.152 423 S CA -0.892 57.325 58.200 0.029 0.000 0.910 423 S CB 0.912 64.127 63.200 0.024 0.000 1.105 423 S HN 0.354 nan 8.310 nan 0.000 0.465 424 D N 3.797 124.266 120.400 0.116 0.000 2.522 424 D HA 0.349 4.988 4.640 -0.002 0.000 0.218 424 D C -0.788 175.779 176.300 0.444 0.000 1.149 424 D CA 0.277 54.433 54.000 0.259 0.000 0.981 424 D CB -0.473 40.468 40.800 0.236 0.000 1.041 424 D HN 0.502 nan 8.370 nan 0.000 0.518 425 F N 0.588 120.542 119.950 0.007 0.000 2.115 425 F HA -0.094 4.432 4.527 -0.001 0.000 0.478 425 F C 0.826 176.636 175.800 0.015 0.000 1.242 425 F CA 0.535 58.539 58.000 0.007 0.000 1.540 425 F CB -1.165 37.839 39.000 0.007 0.000 2.457 425 F HN 0.570 nan 8.300 nan 0.000 0.726 426 G N 2.013 110.881 108.800 0.114 0.000 3.421 426 G HA2 0.418 4.377 3.960 -0.002 0.000 0.686 426 G HA3 0.418 4.377 3.960 -0.002 0.000 0.686 426 G C -1.852 173.083 174.900 0.058 0.000 1.056 426 G CA -0.505 44.648 45.100 0.089 0.000 0.891 426 G HN 1.833 nan 8.290 nan 0.000 0.514 427 L N 2.288 123.535 121.223 0.038 0.000 2.666 427 L HA 0.786 5.125 4.340 -0.002 0.000 0.259 427 L C -0.976 175.923 176.870 0.048 0.000 0.919 427 L CA -0.684 54.180 54.840 0.039 0.000 0.927 427 L CB 2.230 44.291 42.059 0.003 0.000 1.423 427 L HN 0.979 nan 8.230 nan 0.000 0.426 428 V N 3.098 123.070 119.914 0.098 0.000 2.841 428 V HA 1.036 5.155 4.120 -0.002 0.000 0.310 428 V C -0.528 175.692 176.094 0.210 0.000 1.090 428 V CA 0.066 62.459 62.300 0.154 0.000 0.930 428 V CB 1.849 33.810 31.823 0.230 0.000 1.014 428 V HN 1.069 nan 8.190 nan 0.000 0.425 429 A N 2.869 125.837 122.820 0.247 0.000 2.572 429 A HA 1.006 5.325 4.320 -0.002 0.000 0.295 429 A C -0.899 176.909 177.584 0.374 0.000 1.072 429 A CA -0.182 52.005 52.037 0.251 0.000 0.691 429 A CB 1.997 21.055 19.000 0.096 0.000 1.291 429 A HN 1.646 nan 8.150 nan 0.000 0.404 430 A N 0.744 123.763 122.820 0.332 0.000 2.343 430 A HA 0.734 5.053 4.320 -0.002 0.000 0.316 430 A C -0.937 176.824 177.584 0.294 0.000 1.104 430 A CA -0.477 51.785 52.037 0.374 0.000 0.768 430 A CB 1.155 20.418 19.000 0.437 0.000 1.213 430 A HN 1.447 nan 8.150 nan 0.000 0.456 431 V N 1.739 121.760 119.914 0.179 0.000 2.680 431 V HA 0.629 4.748 4.120 -0.002 0.000 0.309 431 V C -1.286 174.873 176.094 0.109 0.000 1.052 431 V CA -0.431 62.019 62.300 0.250 0.000 0.908 431 V CB 1.574 33.503 31.823 0.178 0.000 1.001 431 V HN 0.722 nan 8.190 nan 0.000 0.431 432 F N 1.823 121.939 119.950 0.278 0.000 2.460 432 F HA 0.806 5.332 4.527 -0.002 0.000 0.341 432 F C 0.400 176.372 175.800 0.287 0.000 1.130 432 F CA -0.246 57.918 58.000 0.273 0.000 0.962 432 F CB 2.250 41.417 39.000 0.278 0.000 1.171 432 F HN 0.523 nan 8.300 nan 0.000 0.436 433 T N 1.381 116.089 114.554 0.257 0.000 2.718 433 T HA 0.278 4.627 4.350 -0.002 0.000 0.306 433 T C -0.278 174.461 174.700 0.065 0.000 1.485 433 T CA -0.924 61.255 62.100 0.132 0.000 0.997 433 T CB 1.843 70.660 68.868 -0.085 0.000 1.504 433 T HN 0.358 nan 8.240 nan 0.000 0.497 434 N N 0.837 119.554 118.700 0.028 0.000 2.194 434 N HA 0.114 4.853 4.740 -0.002 0.000 0.231 434 N C -1.123 174.373 175.510 -0.022 0.000 1.247 434 N CA -0.053 53.003 53.050 0.010 0.000 0.884 434 N CB 0.891 39.396 38.487 0.030 0.000 1.146 434 N HN 0.597 nan 8.380 nan 0.000 0.516 435 D N 1.443 121.807 120.400 -0.059 0.000 2.454 435 D HA 0.235 4.874 4.640 -0.002 0.000 0.225 435 D C 1.535 177.779 176.300 -0.093 0.000 1.081 435 D CA -0.419 53.532 54.000 -0.082 0.000 0.864 435 D CB 0.994 41.721 40.800 -0.122 0.000 1.040 435 D HN -0.002 nan 8.370 nan 0.000 0.517 436 I N 2.867 123.399 120.570 -0.064 0.000 2.113 436 I HA -0.390 3.779 4.170 -0.002 0.000 0.242 436 I C 2.160 178.234 176.117 -0.072 0.000 1.057 436 I CA 0.901 62.165 61.300 -0.060 0.000 1.314 436 I CB -0.387 37.587 38.000 -0.043 0.000 1.022 436 I HN 0.412 nan 8.210 nan 0.000 0.408 437 N N 1.405 120.062 118.700 -0.072 0.000 2.018 437 N HA -0.205 4.534 4.740 -0.002 0.000 0.196 437 N C 1.847 177.297 175.510 -0.100 0.000 1.043 437 N CA 1.672 54.678 53.050 -0.072 0.000 0.856 437 N CB -0.362 38.089 38.487 -0.060 0.000 1.042 437 N HN 0.464 nan 8.380 nan 0.000 0.423 438 K N 1.023 121.328 120.400 -0.159 0.000 2.063 438 K HA -0.061 4.258 4.320 -0.002 0.000 0.208 438 K C 2.199 178.688 176.600 -0.186 0.000 1.048 438 K CA 1.344 57.484 56.287 -0.245 0.000 0.928 438 K CB -0.202 31.978 32.500 -0.533 0.000 0.713 438 K HN 0.163 nan 8.250 nan 0.000 0.442 439 A N 1.195 123.922 122.820 -0.156 0.000 1.940 439 A HA -0.157 4.162 4.320 -0.002 0.000 0.219 439 A C 2.090 179.632 177.584 -0.070 0.000 1.176 439 A CA 1.397 53.377 52.037 -0.095 0.000 0.631 439 A CB -0.540 18.413 19.000 -0.078 0.000 0.814 439 A HN 0.156 nan 8.150 nan 0.000 0.446 440 L N -1.708 119.474 121.223 -0.069 0.000 2.034 440 L HA -0.087 4.252 4.340 -0.002 0.000 0.203 440 L C 2.876 179.716 176.870 -0.051 0.000 1.074 440 L CA 1.163 55.970 54.840 -0.056 0.000 0.748 440 L CB -0.537 41.492 42.059 -0.050 0.000 0.905 440 L HN 0.344 nan 8.230 nan 0.000 0.439 441 M N -0.474 119.096 119.600 -0.050 0.000 2.089 441 M HA -0.253 4.226 4.480 -0.002 0.000 0.257 441 M C 2.304 178.584 176.300 -0.034 0.000 1.071 441 M CA 1.786 57.063 55.300 -0.038 0.000 1.096 441 M CB -0.457 32.123 32.600 -0.033 0.000 1.330 441 M HN 0.112 nan 8.290 nan 0.000 0.403 442 V N 0.153 120.048 119.914 -0.031 0.000 2.237 442 V HA -0.266 3.853 4.120 -0.002 0.000 0.245 442 V C 2.488 178.564 176.094 -0.030 0.000 1.046 442 V CA 2.210 64.502 62.300 -0.014 0.000 1.007 442 V CB -1.139 30.699 31.823 0.026 0.000 0.638 442 V HN 0.650 nan 8.190 nan 0.000 0.445 443 S N 1.284 116.963 115.700 -0.036 0.000 2.402 443 S HA -0.228 4.241 4.470 -0.002 0.000 0.233 443 S C 1.977 176.541 174.600 -0.060 0.000 1.030 443 S CA 1.959 60.129 58.200 -0.049 0.000 1.003 443 S CB -0.677 62.487 63.200 -0.060 0.000 0.813 443 S HN 0.762 nan 8.310 nan 0.000 0.477 444 S N 1.069 116.736 115.700 -0.055 0.000 2.486 444 S HA 0.476 4.945 4.470 -0.002 0.000 0.220 444 S C 1.810 176.377 174.600 -0.055 0.000 1.011 444 S CA 0.215 58.381 58.200 -0.057 0.000 0.921 444 S CB -0.328 62.842 63.200 -0.051 0.000 0.785 444 S HN 0.744 nan 8.310 nan 0.000 0.517 445 A N 0.586 123.376 122.820 -0.051 0.000 2.178 445 A HA 0.501 4.820 4.320 -0.002 0.000 0.211 445 A C 0.838 178.385 177.584 -0.063 0.000 1.157 445 A CA 0.034 52.040 52.037 -0.052 0.000 0.780 445 A CB -0.408 18.566 19.000 -0.044 0.000 0.828 445 A HN 0.492 nan 8.150 nan 0.000 0.476 446 M N 0.949 120.510 119.600 -0.064 0.000 2.162 446 M HA 0.181 4.660 4.480 -0.002 0.000 0.356 446 M C 0.188 176.444 176.300 -0.073 0.000 1.303 446 M CA -0.130 55.128 55.300 -0.070 0.000 1.116 446 M CB 0.791 33.355 32.600 -0.060 0.000 1.632 446 M HN 0.272 nan 8.290 nan 0.000 0.469 447 Q N 3.132 122.886 119.800 -0.078 0.000 3.179 447 Q HA 0.422 4.761 4.340 -0.002 0.000 0.328 447 Q C -0.641 175.313 176.000 -0.077 0.000 1.336 447 Q CA -0.291 55.460 55.803 -0.086 0.000 0.939 447 Q CB -0.291 28.386 28.738 -0.102 0.000 1.658 447 Q HN 0.715 nan 8.270 nan 0.000 0.486 448 A N -0.770 122.008 122.820 -0.070 0.000 2.337 448 A HA 0.647 4.966 4.320 -0.002 0.000 0.331 448 A C 1.096 178.631 177.584 -0.082 0.000 1.137 448 A CA -0.394 51.609 52.037 -0.056 0.000 0.807 448 A CB 1.203 20.184 19.000 -0.032 0.000 1.250 448 A HN 0.476 nan 8.150 nan 0.000 0.468 449 G N -0.182 108.574 108.800 -0.075 0.000 2.484 449 G HA2 0.304 4.263 3.960 -0.002 0.000 0.218 449 G HA3 0.304 4.263 3.960 -0.002 0.000 0.218 449 G C 0.690 175.497 174.900 -0.155 0.000 1.130 449 G CA 1.541 46.578 45.100 -0.106 0.000 0.784 449 G HN 1.524 nan 8.290 nan 0.000 0.543 450 T N -2.620 111.843 114.554 -0.152 0.000 2.982 450 T HA 0.552 4.900 4.350 -0.002 0.000 0.321 450 T C -1.707 172.833 174.700 -0.266 0.000 1.229 450 T CA -0.665 61.271 62.100 -0.273 0.000 1.044 450 T CB 2.374 71.032 68.868 -0.349 0.000 1.184 450 T HN 0.153 nan 8.240 nan 0.000 0.477 451 V N 3.174 122.864 119.914 -0.374 0.000 2.525 451 V HA 0.562 4.681 4.120 -0.002 0.000 0.299 451 V C -1.137 174.768 176.094 -0.314 0.000 1.034 451 V CA -0.976 61.189 62.300 -0.226 0.000 0.863 451 V CB 1.500 33.251 31.823 -0.120 0.000 0.999 451 V HN 0.960 nan 8.190 nan 0.000 0.423 452 W N 4.980 126.296 121.300 0.025 0.000 2.417 452 W HA 0.744 5.403 4.660 -0.002 0.000 0.317 452 W C -0.176 176.303 176.519 -0.066 0.000 1.121 452 W CA -0.485 56.865 57.345 0.008 0.000 1.208 452 W CB 1.037 30.556 29.460 0.098 0.000 1.253 452 W HN 0.331 nan 8.180 nan 0.000 0.533 453 I N 4.840 125.468 120.570 0.097 0.000 2.411 453 I HA 0.145 4.314 4.170 -0.002 0.000 0.284 453 I C -0.333 175.689 176.117 -0.157 0.000 1.012 453 I CA -0.811 60.447 61.300 -0.070 0.000 1.119 453 I CB 1.141 39.112 38.000 -0.050 0.000 1.261 453 I HN 0.554 nan 8.210 nan 0.000 0.448 454 N N 3.849 122.241 118.700 -0.513 0.000 2.747 454 N HA -0.169 4.570 4.740 -0.002 0.000 0.249 454 N C -0.627 174.871 175.510 -0.020 0.000 1.107 454 N CA 1.118 53.908 53.050 -0.434 0.000 0.707 454 N CB -1.209 37.218 38.487 -0.100 0.000 1.054 454 N HN 0.841 nan 8.380 nan 0.000 0.555 455 C N -4.355 114.882 119.300 -0.107 0.000 3.249 455 C HA 0.847 5.306 4.460 -0.002 0.000 0.350 455 C C -0.900 174.223 174.990 0.222 0.000 1.431 455 C CA -1.221 57.921 59.018 0.205 0.000 1.209 455 C CB 1.761 29.640 27.740 0.232 0.000 1.546 455 C HN 0.382 nan 8.230 nan 0.000 0.450 479 E N 0.270 120.577 120.200 0.178 0.000 2.208 479 E HA -0.129 4.220 4.350 -0.002 0.000 0.202 479 E C 1.851 178.231 176.600 -0.366 0.000 1.014 479 E CA 2.126 58.361 56.400 -0.275 0.000 0.819 479 E CB -0.415 29.107 29.700 -0.297 0.000 0.735 479 E HN 0.380 nan 8.360 nan 0.000 0.469 480 F N -1.172 118.753 119.950 -0.042 0.000 2.710 480 F HA 0.252 4.777 4.527 -0.002 0.000 0.298 480 F C 2.174 177.962 175.800 -0.019 0.000 1.137 480 F CA 0.659 58.636 58.000 -0.039 0.000 1.444 480 F CB -0.330 38.656 39.000 -0.024 0.000 1.111 480 F HN 0.127 nan 8.300 nan 0.000 0.580 481 G N 0.825 109.734 108.800 0.181 0.000 2.408 481 G HA2 -0.085 3.874 3.960 -0.002 0.000 0.215 481 G HA3 -0.085 3.874 3.960 -0.002 0.000 0.215 481 G C 1.319 176.317 174.900 0.163 0.000 1.156 481 G CA 0.513 45.729 45.100 0.194 0.000 0.793 481 G HN 0.340 nan 8.290 nan 0.000 0.535 482 L N -0.872 120.390 121.223 0.066 0.000 2.660 482 L HA 0.459 4.798 4.340 -0.002 0.000 0.238 482 L C 1.938 178.813 176.870 0.008 0.000 1.161 482 L CA -0.039 54.824 54.840 0.039 0.000 0.937 482 L CB -0.268 41.707 42.059 -0.139 0.000 1.122 482 L HN 0.001 nan 8.230 nan 0.000 0.435 483 R N 0.983 121.487 120.500 0.006 0.000 2.112 483 R HA 0.001 4.340 4.340 -0.002 0.000 0.216 483 R C 1.766 178.056 176.300 -0.017 0.000 1.080 483 R CA 1.022 57.123 56.100 0.002 0.000 0.996 483 R CB -0.070 30.230 30.300 -0.001 0.000 0.902 483 R HN 0.706 nan 8.270 nan 0.000 0.449 484 E N 0.033 120.185 120.200 -0.079 0.000 2.482 484 E HA -0.137 4.212 4.350 -0.002 0.000 0.196 484 E C 0.273 176.611 176.600 -0.436 0.000 1.047 484 E CA 0.773 57.022 56.400 -0.251 0.000 0.869 484 E CB 0.089 29.586 29.700 -0.338 0.000 0.836 484 E HN 0.378 nan 8.360 nan 0.000 0.520 485 Y N 1.320 121.608 120.300 -0.019 0.000 2.607 485 Y HA 0.242 4.791 4.550 -0.002 0.000 0.266 485 Y C 0.023 175.921 175.900 -0.004 0.000 1.178 485 Y CA -0.199 57.888 58.100 -0.022 0.000 1.226 485 Y CB 0.719 39.161 38.460 -0.030 0.000 1.144 485 Y HN 0.080 nan 8.280 nan 0.000 0.528 486 S N -0.873 114.871 115.700 0.072 0.000 2.550 486 S HA 0.649 5.118 4.470 -0.002 0.000 0.270 486 S C -1.045 173.552 174.600 -0.006 0.000 1.145 486 S CA -1.173 57.069 58.200 0.069 0.000 0.852 486 S CB 2.457 65.734 63.200 0.128 0.000 1.119 486 S HN 0.266 nan 8.310 nan 0.000 0.465 487 E N 0.346 120.528 120.200 -0.030 0.000 2.299 487 E HA 0.743 5.092 4.350 -0.002 0.000 0.265 487 E C -1.196 175.300 176.600 -0.174 0.000 0.911 487 E CA -1.271 55.074 56.400 -0.092 0.000 0.789 487 E CB 1.642 31.313 29.700 -0.048 0.000 1.246 487 E HN 0.390 nan 8.360 nan 0.000 0.427 488 V N 1.095 120.874 119.914 -0.225 0.000 2.539 488 V HA 0.319 4.438 4.120 -0.002 0.000 0.292 488 V C -0.109 175.902 176.094 -0.137 0.000 1.045 488 V CA -0.625 61.516 62.300 -0.265 0.000 0.945 488 V CB 1.182 32.828 31.823 -0.294 0.000 0.993 488 V HN 0.684 nan 8.190 nan 0.000 0.464 489 K N 2.666 123.005 120.400 -0.101 0.000 2.575 489 K HA 0.394 4.713 4.320 -0.002 0.000 0.236 489 K C -0.335 176.197 176.600 -0.113 0.000 0.976 489 K CA -0.272 55.968 56.287 -0.079 0.000 0.985 489 K CB 1.316 33.798 32.500 -0.031 0.000 1.198 489 K HN 0.847 nan 8.250 nan 0.000 0.464 490 T N 1.415 115.873 114.554 -0.160 0.000 2.856 490 T HA 0.402 4.751 4.350 -0.002 0.000 0.292 490 T C -0.572 173.908 174.700 -0.366 0.000 0.980 490 T CA -0.403 61.546 62.100 -0.252 0.000 1.091 490 T CB 0.878 69.620 68.868 -0.210 0.000 0.936 490 T HN 0.189 nan 8.240 nan 0.000 0.503 491 V N 4.695 124.202 119.914 -0.679 0.000 2.588 491 V HA 0.698 4.817 4.120 -0.002 0.000 0.304 491 V C 0.254 175.863 176.094 -0.808 0.000 1.042 491 V CA -0.789 61.053 62.300 -0.765 0.000 0.877 491 V CB 2.018 33.230 31.823 -1.018 0.000 0.996 491 V HN 1.165 nan 8.190 nan 0.000 0.425 492 T N 2.586 116.880 114.554 -0.434 0.000 2.841 492 T HA 0.768 5.117 4.350 -0.002 0.000 0.285 492 T C -0.957 173.690 174.700 -0.087 0.000 0.991 492 T CA -0.519 61.406 62.100 -0.292 0.000 0.966 492 T CB 1.568 70.282 68.868 -0.256 0.000 0.962 492 T HN 0.337 nan 8.240 nan 0.000 0.438 493 V N 3.552 123.519 119.914 0.089 0.000 2.547 493 V HA 0.600 4.719 4.120 -0.002 0.000 0.299 493 V C 0.247 176.518 176.094 0.296 0.000 1.040 493 V CA -1.073 61.352 62.300 0.209 0.000 0.913 493 V CB 1.710 33.727 31.823 0.323 0.000 0.992 493 V HN 0.998 nan 8.190 nan 0.000 0.449 494 K N 4.712 125.263 120.400 0.253 0.000 2.249 494 K HA 0.593 4.912 4.320 -0.002 0.000 0.280 494 K C -0.622 176.059 176.600 0.134 0.000 1.033 494 K CA -0.160 56.275 56.287 0.248 0.000 0.946 494 K CB 0.580 33.197 32.500 0.195 0.000 1.005 494 K HN 0.701 nan 8.250 nan 0.000 0.469 495 I N 1.563 122.170 120.570 0.061 0.000 2.689 495 I HA 0.484 4.653 4.170 -0.002 0.000 0.299 495 I C -1.990 174.113 176.117 -0.023 0.000 1.059 495 I CA -2.747 58.571 61.300 0.030 0.000 1.055 495 I CB 2.114 40.137 38.000 0.039 0.000 1.243 495 I HN 0.446 nan 8.210 nan 0.000 0.425 496 P HA -0.194 nan 4.420 nan 0.000 0.217 496 P C -0.310 176.963 177.300 -0.045 0.000 1.158 496 P CA 1.556 64.640 63.100 -0.028 0.000 0.887 496 P CB 0.114 31.803 31.700 -0.019 0.000 0.792 497 Q N -2.064 117.709 119.800 -0.044 0.000 2.403 497 Q HA 0.237 4.576 4.340 -0.002 0.000 0.267 497 Q C -1.357 174.618 176.000 -0.042 0.000 0.991 497 Q CA -0.850 54.923 55.803 -0.050 0.000 0.906 497 Q CB 1.403 30.117 28.738 -0.039 0.000 1.422 497 Q HN -0.212 nan 8.270 nan 0.000 0.400 498 K N 2.863 123.237 120.400 -0.043 0.000 2.143 498 K HA 0.430 4.749 4.320 -0.002 0.000 0.272 498 K C -1.103 175.487 176.600 -0.016 0.000 1.001 498 K CA -0.327 55.947 56.287 -0.022 0.000 0.915 498 K CB 0.840 33.334 32.500 -0.009 0.000 1.047 498 K HN 0.614 nan 8.250 nan 0.000 0.458 499 N N 1.440 120.133 118.700 -0.012 0.000 2.287 499 N HA 0.104 4.843 4.740 -0.002 0.000 0.289 499 N C -0.944 174.564 175.510 -0.004 0.000 1.066 499 N CA -0.435 52.609 53.050 -0.011 0.000 0.841 499 N CB 2.117 40.593 38.487 -0.018 0.000 1.599 499 N HN 0.786 nan 8.380 nan 0.000 0.476 500 S N 0.000 115.702 115.700 0.003 0.000 2.498 500 S HA 0.000 4.469 4.470 -0.002 0.000 0.327 500 S CA 0.000 58.206 58.200 0.009 0.000 1.107 500 S CB 0.000 63.206 63.200 0.011 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517