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 1ipk_1_B DATA FIRST_RESID 9 DATA SEQUENCE NPFYFRSSNS FQTLFENQNG RIRLLQRFNK RSPQLENLRD YRIVQFQSKP DATA SEQUENCE NTILLPHHAD ADFLLFVLSG RAILTLVNND DRDSYNLHPG DAQRIPAGTT DATA SEQUENCE YYLVNPHDHQ NLKIIKLAIP VNKPGRYDDF FLSSTQAQQS YLQGFSHNIL DATA SEQUENCE ETSFHSEFEE INRVLFXXXX XXXXQEGVIV ELSKEQIRQL SRRAKSSSRK DATA SEQUENCE TISSEDEPFN LRSRNPIYSN NFGKFFEITP EKNPQLRDLD IFLSSVDINE DATA SEQUENCE GALLLPHFNS KAIVILVINE GDANIELVGI KEXXXXXXXX XXXLEVQRYR DATA SEQUENCE AELSEDDVFV IPAAYPFVVN ATSNLNFLAF GINAENNQRN FLAGEKDNVV DATA SEQUENCE RQIERQVQEL AFPGSAQDVE RLLKKQRESY FVDA 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 9 N HA 0.000 nan 4.740 nan 0.000 0.220 9 N C 0.000 175.445 175.510 -0.108 0.000 1.280 9 N CA 0.000 53.126 53.050 0.127 0.000 0.885 9 N CB 0.000 38.682 38.487 0.324 0.000 1.341 10 P HA -0.142 nan 4.420 nan 0.000 0.219 10 P C 0.179 176.955 177.300 -0.873 0.000 1.144 10 P CA 1.388 64.081 63.100 -0.679 0.000 0.806 10 P CB -0.150 31.018 31.700 -0.887 0.000 0.771 11 F N -3.012 116.661 119.950 -0.462 0.000 2.765 11 F HA 0.164 4.691 4.527 0.001 0.000 0.302 11 F C 1.216 176.650 175.800 -0.610 0.000 1.111 11 F CA -0.430 57.204 58.000 -0.610 0.000 1.359 11 F CB -0.550 37.978 39.000 -0.787 0.000 1.097 11 F HN -0.142 nan 8.300 nan 0.000 0.577 12 Y N 0.457 120.623 120.300 -0.222 0.000 2.331 12 Y HA 0.512 5.062 4.550 0.000 0.000 0.338 12 Y C -1.339 174.430 175.900 -0.218 0.000 0.976 12 Y CA -1.512 56.684 58.100 0.161 0.000 1.137 12 Y CB 0.447 39.143 38.460 0.394 0.000 1.172 12 Y HN -0.139 nan 8.280 nan 0.000 0.478 13 F N 6.191 125.927 119.950 -0.358 0.000 2.375 13 F HA 0.444 4.971 4.527 0.000 0.000 0.361 13 F C 0.188 175.620 175.800 -0.614 0.000 1.117 13 F CA -0.792 56.998 58.000 -0.351 0.000 1.037 13 F CB 1.159 40.135 39.000 -0.039 0.000 1.192 13 F HN 0.438 nan 8.300 nan 0.000 0.452 14 R N 1.574 121.770 120.500 -0.507 0.000 2.351 14 R HA 0.097 4.437 4.340 0.000 0.000 0.318 14 R C 1.115 177.302 176.300 -0.189 0.000 1.055 14 R CA 0.209 56.093 56.100 -0.360 0.000 0.968 14 R CB 0.620 30.832 30.300 -0.147 0.000 0.974 14 R HN 0.833 nan 8.270 nan 0.000 0.439 15 S N 1.410 116.961 115.700 -0.248 0.000 2.520 15 S HA -0.200 4.270 4.470 0.000 0.000 0.249 15 S C 1.434 175.798 174.600 -0.394 0.000 0.983 15 S CA 1.219 59.105 58.200 -0.522 0.000 0.958 15 S CB -0.125 62.788 63.200 -0.477 0.000 0.750 15 S HN 0.724 nan 8.310 nan 0.000 0.527 16 S N -0.339 115.264 115.700 -0.162 0.000 2.578 16 S HA 0.298 4.768 4.470 0.000 0.000 0.228 16 S C 1.106 175.700 174.600 -0.010 0.000 1.022 16 S CA -0.147 58.013 58.200 -0.067 0.000 0.967 16 S CB -0.126 63.054 63.200 -0.032 0.000 0.914 16 S HN 0.373 nan 8.310 nan 0.000 0.515 17 N N 1.333 120.028 118.700 -0.009 0.000 2.510 17 N HA 0.227 4.968 4.740 0.000 0.000 0.186 17 N C 0.192 175.752 175.510 0.084 0.000 1.051 17 N CA 0.786 53.855 53.050 0.031 0.000 0.877 17 N CB 0.716 39.210 38.487 0.012 0.000 1.183 17 N HN 0.340 nan 8.380 nan 0.000 0.443 18 S N -0.285 115.490 115.700 0.125 0.000 2.581 18 S HA 0.387 4.857 4.470 0.000 0.000 0.245 18 S C -0.879 173.942 174.600 0.369 0.000 1.115 18 S CA -0.508 57.825 58.200 0.221 0.000 1.093 18 S CB 0.021 63.419 63.200 0.329 0.000 0.853 18 S HN 0.030 nan 8.310 nan 0.000 0.479 19 F N 1.765 121.717 119.950 0.004 0.000 2.561 19 F HA 0.669 5.196 4.527 0.000 0.000 0.321 19 F C -0.083 175.718 175.800 0.002 0.000 1.065 19 F CA -1.396 56.602 58.000 -0.003 0.000 0.934 19 F CB 2.085 41.093 39.000 0.015 0.000 1.215 19 F HN 0.027 nan 8.300 nan 0.000 0.471 20 Q N 1.019 120.859 119.800 0.066 0.000 2.320 20 Q HA 0.353 4.693 4.340 0.000 0.000 0.268 20 Q C -0.922 175.096 176.000 0.031 0.000 1.023 20 Q CA -0.322 55.505 55.803 0.040 0.000 0.744 20 Q CB 1.638 30.375 28.738 -0.002 0.000 1.246 20 Q HN 0.607 nan 8.270 nan 0.000 0.462 21 T N 5.317 119.906 114.554 0.060 0.000 2.761 21 T HA 0.117 4.467 4.350 0.000 0.000 0.287 21 T C 1.055 175.788 174.700 0.056 0.000 0.931 21 T CA 0.327 62.463 62.100 0.059 0.000 1.164 21 T CB 0.128 69.024 68.868 0.045 0.000 0.876 21 T HN 0.580 nan 8.240 nan 0.000 0.534 22 L N 3.270 124.546 121.223 0.089 0.000 2.162 22 L HA 0.395 4.735 4.340 0.000 0.000 0.205 22 L C 0.449 177.493 176.870 0.290 0.000 1.086 22 L CA 0.726 55.652 54.840 0.143 0.000 0.778 22 L CB 0.048 42.186 42.059 0.132 0.000 0.928 22 L HN 0.481 nan 8.230 nan 0.000 0.446 23 F N -1.062 118.898 119.950 0.017 0.000 2.678 23 F HA 0.433 4.960 4.527 0.000 0.000 0.308 23 F C -1.110 174.697 175.800 0.013 0.000 1.118 23 F CA -0.790 57.213 58.000 0.005 0.000 0.959 23 F CB 1.988 40.987 39.000 -0.002 0.000 1.305 23 F HN -0.257 nan 8.300 nan 0.000 0.443 24 E N 3.482 123.511 120.200 -0.285 0.000 2.531 24 E HA 0.187 4.537 4.350 0.000 0.000 0.323 24 E C -2.160 174.312 176.600 -0.212 0.000 0.908 24 E CA -0.434 55.886 56.400 -0.135 0.000 0.792 24 E CB 1.261 30.905 29.700 -0.093 0.000 1.360 24 E HN 0.703 nan 8.360 nan 0.000 0.394 25 N N 1.421 120.074 118.700 -0.078 0.000 2.380 25 N HA 0.134 4.874 4.740 0.000 0.000 0.290 25 N C 0.295 175.791 175.510 -0.022 0.000 1.236 25 N CA -0.561 52.451 53.050 -0.064 0.000 0.780 25 N CB 0.874 39.366 38.487 0.009 0.000 1.438 25 N HN 0.222 nan 8.380 nan 0.000 0.491 26 Q N -0.424 119.364 119.800 -0.021 0.000 2.592 26 Q HA -0.075 4.266 4.340 0.000 0.000 0.219 26 Q C -0.281 175.719 176.000 -0.001 0.000 0.984 26 Q CA 1.545 57.340 55.803 -0.012 0.000 0.911 26 Q CB -0.820 27.912 28.738 -0.010 0.000 0.962 26 Q HN 0.624 nan 8.270 nan 0.000 0.532 27 N N -0.819 117.887 118.700 0.010 0.000 2.171 27 N HA 0.373 5.114 4.740 0.000 0.000 0.212 27 N C -0.094 175.416 175.510 0.000 0.000 1.184 27 N CA 0.521 53.580 53.050 0.015 0.000 0.888 27 N CB 1.744 40.253 38.487 0.036 0.000 1.038 27 N HN 0.337 nan 8.380 nan 0.000 0.517 28 G N -0.022 108.777 108.800 -0.001 0.000 2.345 28 G HA2 0.325 4.285 3.960 0.000 0.000 0.285 28 G HA3 0.325 4.285 3.960 0.000 0.000 0.285 28 G C -1.792 173.115 174.900 0.013 0.000 1.297 28 G CA -0.969 44.111 45.100 -0.033 0.000 0.875 28 G HN 0.221 nan 8.290 nan 0.000 0.506 29 R N -1.505 119.003 120.500 0.012 0.000 2.752 29 R HA 0.833 5.173 4.340 0.000 0.000 0.271 29 R C -1.545 174.842 176.300 0.145 0.000 1.026 29 R CA -1.116 55.033 56.100 0.082 0.000 0.901 29 R CB 1.583 31.914 30.300 0.053 0.000 1.243 29 R HN 0.622 nan 8.270 nan 0.000 0.463 30 I N 0.914 121.597 120.570 0.188 0.000 2.571 30 I HA 0.424 4.594 4.170 0.000 0.000 0.286 30 I C -0.872 175.318 176.117 0.122 0.000 1.134 30 I CA -0.661 60.761 61.300 0.204 0.000 1.052 30 I CB 2.315 40.475 38.000 0.267 0.000 1.237 30 I HN 0.501 nan 8.210 nan 0.000 0.435 31 R N 5.425 125.944 120.500 0.032 0.000 2.803 31 R HA 0.720 5.060 4.340 0.000 0.000 0.276 31 R C -1.318 174.800 176.300 -0.303 0.000 0.978 31 R CA -0.916 55.123 56.100 -0.101 0.000 0.939 31 R CB 2.894 33.163 30.300 -0.052 0.000 1.179 31 R HN 0.448 nan 8.270 nan 0.000 0.472 32 L N 3.971 125.026 121.223 -0.279 0.000 2.345 32 L HA 0.374 4.714 4.340 0.000 0.000 0.274 32 L C -0.549 176.109 176.870 -0.353 0.000 0.999 32 L CA -0.828 53.847 54.840 -0.275 0.000 0.849 32 L CB 1.611 43.633 42.059 -0.061 0.000 1.220 32 L HN 0.564 nan 8.230 nan 0.000 0.422 33 L N 4.753 125.659 121.223 -0.528 0.000 2.514 33 L HA 0.039 4.380 4.340 0.000 0.000 0.280 33 L C 0.783 177.472 176.870 -0.301 0.000 1.223 33 L CA 0.058 54.701 54.840 -0.329 0.000 0.864 33 L CB 0.756 42.643 42.059 -0.286 0.000 1.118 33 L HN 0.681 nan 8.230 nan 0.000 0.494 34 Q N 4.776 124.451 119.800 -0.208 0.000 2.839 34 Q HA 0.017 4.357 4.340 0.000 0.000 0.229 34 Q C -0.745 175.020 176.000 -0.392 0.000 1.140 34 Q CA -0.010 55.670 55.803 -0.205 0.000 1.077 34 Q CB 0.084 28.779 28.738 -0.073 0.000 1.335 34 Q HN 0.608 nan 8.270 nan 0.000 0.610 35 R N 0.620 120.964 120.500 -0.260 0.000 2.216 35 R HA 0.134 4.474 4.340 0.000 0.000 0.332 35 R C 0.513 176.694 176.300 -0.199 0.000 1.056 35 R CA -0.330 55.602 56.100 -0.280 0.000 0.901 35 R CB 0.226 30.460 30.300 -0.110 0.000 1.039 35 R HN 0.579 nan 8.270 nan 0.000 0.456 36 F N 2.331 122.190 119.950 -0.152 0.000 2.050 36 F HA -0.445 4.082 4.527 0.000 0.000 0.294 36 F C 2.508 178.331 175.800 0.039 0.000 1.113 36 F CA 2.170 60.120 58.000 -0.085 0.000 1.225 36 F CB -0.699 38.257 39.000 -0.074 0.000 0.953 36 F HN 0.632 nan 8.300 nan 0.000 0.501 37 N N 0.978 119.807 118.700 0.215 0.000 2.381 37 N HA -0.219 4.521 4.740 0.000 0.000 0.182 37 N C 1.727 177.279 175.510 0.071 0.000 1.025 37 N CA 1.497 54.615 53.050 0.114 0.000 0.888 37 N CB -0.424 38.115 38.487 0.086 0.000 0.965 37 N HN 0.467 nan 8.380 nan 0.000 0.438 38 K N 1.000 121.436 120.400 0.060 0.000 2.097 38 K HA -0.105 4.215 4.320 0.000 0.000 0.205 38 K C 2.395 179.026 176.600 0.051 0.000 1.050 38 K CA 0.825 57.134 56.287 0.036 0.000 0.938 38 K CB -0.038 32.468 32.500 0.010 0.000 0.718 38 K HN 0.142 nan 8.250 nan 0.000 0.442 39 R N 0.124 120.684 120.500 0.099 0.000 2.075 39 R HA -0.005 4.336 4.340 0.000 0.000 0.226 39 R C -0.459 175.861 176.300 0.033 0.000 1.114 39 R CA 1.299 57.464 56.100 0.108 0.000 0.972 39 R CB 0.242 30.704 30.300 0.269 0.000 0.869 39 R HN 0.212 nan 8.270 nan 0.000 0.437 40 S N -1.108 114.607 115.700 0.024 0.000 2.649 40 S HA 0.341 4.811 4.470 0.000 0.000 0.274 40 S C -2.426 172.144 174.600 -0.049 0.000 1.176 40 S CA -1.456 56.706 58.200 -0.063 0.000 0.988 40 S CB 2.293 65.374 63.200 -0.199 0.000 1.071 40 S HN -0.093 nan 8.310 nan 0.000 0.478 41 P HA -0.194 nan 4.420 nan 0.000 0.217 41 P C 1.485 178.766 177.300 -0.031 0.000 1.148 41 P CA 1.302 64.390 63.100 -0.019 0.000 0.834 41 P CB 0.022 31.715 31.700 -0.012 0.000 0.783 42 Q N -0.920 118.836 119.800 -0.073 0.000 2.268 42 Q HA -0.146 4.194 4.340 0.000 0.000 0.210 42 Q C 0.636 176.601 176.000 -0.058 0.000 0.988 42 Q CA 1.011 56.772 55.803 -0.069 0.000 0.883 42 Q CB -0.515 28.129 28.738 -0.157 0.000 0.911 42 Q HN 0.377 nan 8.270 nan 0.000 0.430 43 L N 0.222 121.406 121.223 -0.066 0.000 2.956 43 L HA 0.193 4.533 4.340 0.000 0.000 0.232 43 L C 1.179 178.059 176.870 0.017 0.000 1.291 43 L CA -0.086 54.734 54.840 -0.034 0.000 1.122 43 L CB 0.341 42.391 42.059 -0.016 0.000 1.461 43 L HN -0.069 nan 8.230 nan 0.000 0.470 44 E N 0.536 120.743 120.200 0.011 0.000 2.285 44 E HA -0.053 4.298 4.350 0.000 0.000 0.194 44 E C 0.625 177.250 176.600 0.041 0.000 0.997 44 E CA 0.408 56.826 56.400 0.030 0.000 0.845 44 E CB 0.331 30.043 29.700 0.020 0.000 0.782 44 E HN 0.567 nan 8.360 nan 0.000 0.491 45 N N 0.191 118.906 118.700 0.025 0.000 2.362 45 N HA 0.064 4.804 4.740 0.000 0.000 0.211 45 N C 0.495 176.055 175.510 0.083 0.000 1.170 45 N CA 0.281 53.354 53.050 0.039 0.000 0.828 45 N CB 0.370 38.860 38.487 0.006 0.000 1.034 45 N HN 0.146 nan 8.380 nan 0.000 0.475 46 L N -0.298 120.996 121.223 0.118 0.000 3.135 46 L HA 0.212 4.552 4.340 0.000 0.000 0.279 46 L C 1.629 178.718 176.870 0.364 0.000 1.200 46 L CA -0.002 54.987 54.840 0.248 0.000 1.016 46 L CB 0.379 42.451 42.059 0.021 0.000 1.391 46 L HN 0.148 nan 8.230 nan 0.000 0.588 47 R N -0.019 120.599 120.500 0.197 0.000 2.103 47 R HA -0.159 4.181 4.340 0.000 0.000 0.242 47 R C 0.355 176.687 176.300 0.054 0.000 1.142 47 R CA 1.757 57.926 56.100 0.114 0.000 0.960 47 R CB -0.612 29.720 30.300 0.053 0.000 0.858 47 R HN 0.258 nan 8.270 nan 0.000 0.439 48 D N -0.267 120.119 120.400 -0.022 0.000 2.344 48 D HA 0.028 4.668 4.640 0.000 0.000 0.242 48 D C -0.537 175.523 176.300 -0.399 0.000 1.159 48 D CA 0.511 54.373 54.000 -0.230 0.000 0.859 48 D CB -0.110 40.478 40.800 -0.353 0.000 0.925 48 D HN 0.244 nan 8.370 nan 0.000 0.510 49 Y N 0.161 120.467 120.300 0.010 0.000 2.462 49 Y HA 0.484 5.034 4.550 0.000 0.000 0.346 49 Y C 0.568 176.427 175.900 -0.069 0.000 0.976 49 Y CA -0.951 57.157 58.100 0.014 0.000 1.044 49 Y CB 1.797 40.341 38.460 0.141 0.000 1.230 49 Y HN -0.350 nan 8.280 nan 0.000 0.455 50 R N 2.783 123.300 120.500 0.028 0.000 2.668 50 R HA 0.530 4.870 4.340 0.000 0.000 0.272 50 R C -1.641 174.593 176.300 -0.110 0.000 1.019 50 R CA -0.790 55.205 56.100 -0.175 0.000 0.894 50 R CB 2.470 32.669 30.300 -0.169 0.000 1.228 50 R HN 0.627 nan 8.270 nan 0.000 0.460 51 I N 2.430 122.898 120.570 -0.170 0.000 2.412 51 I HA 0.432 4.602 4.170 0.000 0.000 0.296 51 I C -0.112 175.926 176.117 -0.131 0.000 0.987 51 I CA -0.894 60.376 61.300 -0.050 0.000 1.180 51 I CB 2.018 40.058 38.000 0.067 0.000 1.340 51 I HN 0.176 nan 8.210 nan 0.000 0.455 52 V N 5.884 125.757 119.914 -0.069 0.000 2.656 52 V HA 0.384 4.504 4.120 0.000 0.000 0.307 52 V C -0.266 175.821 176.094 -0.013 0.000 1.051 52 V CA -0.780 61.458 62.300 -0.103 0.000 0.893 52 V CB 2.169 33.935 31.823 -0.094 0.000 0.999 52 V HN 0.658 nan 8.190 nan 0.000 0.426 53 Q N 3.102 122.886 119.800 -0.027 0.000 2.348 53 Q HA 0.507 4.847 4.340 0.000 0.000 0.265 53 Q C -1.833 174.286 176.000 0.197 0.000 0.998 53 Q CA -0.461 55.420 55.803 0.131 0.000 0.831 53 Q CB 2.156 31.034 28.738 0.234 0.000 1.251 53 Q HN 0.719 nan 8.270 nan 0.000 0.456 54 F N 3.410 123.397 119.950 0.063 0.000 2.482 54 F HA 0.414 4.942 4.527 0.000 0.000 0.331 54 F C -1.176 174.667 175.800 0.072 0.000 1.115 54 F CA -0.347 57.691 58.000 0.064 0.000 0.955 54 F CB 1.378 40.409 39.000 0.051 0.000 1.136 54 F HN 0.385 nan 8.300 nan 0.000 0.452 55 Q N 4.162 123.451 119.800 -0.852 0.000 2.289 55 Q HA 0.535 4.875 4.340 0.000 0.000 0.270 55 Q C -1.505 173.992 176.000 -0.838 0.000 1.038 55 Q CA -1.115 54.248 55.803 -0.734 0.000 0.812 55 Q CB 2.234 30.816 28.738 -0.261 0.000 1.300 55 Q HN 0.704 nan 8.270 nan 0.000 0.427 56 S N 1.586 116.900 115.700 -0.643 0.000 2.677 56 S HA 0.437 4.907 4.470 0.000 0.000 0.283 56 S C -0.549 173.979 174.600 -0.119 0.000 1.159 56 S CA -0.919 57.099 58.200 -0.303 0.000 1.001 56 S CB 1.527 64.645 63.200 -0.137 0.000 1.032 56 S HN 0.493 nan 8.310 nan 0.000 0.487 57 K N 2.421 122.785 120.400 -0.061 0.000 2.274 57 K HA 0.178 4.498 4.320 0.000 0.000 0.255 57 K C -2.234 174.374 176.600 0.014 0.000 1.005 57 K CA -1.035 55.242 56.287 -0.018 0.000 0.864 57 K CB -0.053 32.446 32.500 -0.002 0.000 1.013 57 K HN 0.512 nan 8.250 nan 0.000 0.519 58 P HA -0.033 nan 4.420 nan 0.000 0.275 58 P C -1.172 176.149 177.300 0.036 0.000 1.227 58 P CA 0.180 63.314 63.100 0.056 0.000 0.781 58 P CB 0.268 32.013 31.700 0.075 0.000 0.906 59 N N -0.713 118.011 118.700 0.039 0.000 2.688 59 N HA -0.096 4.644 4.740 0.000 0.000 0.261 59 N C -0.158 175.376 175.510 0.039 0.000 1.116 59 N CA 0.630 53.697 53.050 0.027 0.000 0.689 59 N CB -1.204 37.285 38.487 0.003 0.000 0.882 59 N HN 0.775 nan 8.380 nan 0.000 0.554 60 T N -2.115 112.477 114.554 0.063 0.000 2.681 60 T HA 0.838 5.189 4.350 0.000 0.000 0.296 60 T C -0.693 174.069 174.700 0.104 0.000 1.157 60 T CA -0.797 61.347 62.100 0.073 0.000 1.025 60 T CB 2.990 71.906 68.868 0.080 0.000 1.441 60 T HN 0.172 nan 8.240 nan 0.000 0.504 61 I N 0.476 121.114 120.570 0.113 0.000 2.743 61 I HA 0.401 4.571 4.170 0.000 0.000 0.292 61 I C -1.461 174.738 176.117 0.136 0.000 1.343 61 I CA -1.192 60.188 61.300 0.133 0.000 1.038 61 I CB 2.076 40.120 38.000 0.074 0.000 1.311 61 I HN 0.727 nan 8.210 nan 0.000 0.426 62 L N 6.626 127.952 121.223 0.172 0.000 2.371 62 L HA 0.425 4.765 4.340 0.000 0.000 0.272 62 L C -0.578 176.361 176.870 0.114 0.000 1.124 62 L CA -0.568 54.342 54.840 0.115 0.000 0.816 62 L CB 1.267 43.352 42.059 0.044 0.000 1.129 62 L HN 0.509 nan 8.230 nan 0.000 0.448 63 L N 5.186 126.452 121.223 0.072 0.000 2.350 63 L HA 0.304 4.644 4.340 0.000 0.000 0.275 63 L C -2.001 175.051 176.870 0.303 0.000 1.099 63 L CA -1.926 52.985 54.840 0.117 0.000 0.808 63 L CB 0.893 42.955 42.059 0.005 0.000 1.149 63 L HN 0.408 nan 8.230 nan 0.000 0.442 64 P HA -0.061 nan 4.420 nan 0.000 0.257 64 P C -1.110 176.419 177.300 0.382 0.000 1.162 64 P CA 0.841 64.147 63.100 0.343 0.000 0.762 64 P CB 0.078 31.948 31.700 0.284 0.000 0.753 65 H N 1.202 120.233 119.070 -0.065 0.000 2.967 65 H HA 0.520 5.077 4.556 0.000 0.000 0.318 65 H C -1.412 173.832 175.328 -0.140 0.000 1.375 65 H CA -0.752 55.147 56.048 -0.249 0.000 1.132 65 H CB 1.401 30.513 29.762 -1.082 0.000 1.848 65 H HN 0.589 nan 8.280 nan 0.000 0.524 66 H N 0.427 119.302 119.070 -0.326 0.000 3.046 66 H HA 0.810 5.366 4.556 0.000 0.000 0.361 66 H C -1.940 173.375 175.328 -0.022 0.000 1.235 66 H CA -0.520 55.413 56.048 -0.191 0.000 1.146 66 H CB 1.870 31.566 29.762 -0.110 0.000 1.859 66 H HN 0.950 nan 8.280 nan 0.000 0.548 67 A N 2.003 124.866 122.820 0.073 0.000 2.498 67 A HA 0.283 4.604 4.320 0.000 0.000 0.298 67 A C -0.441 177.201 177.584 0.097 0.000 1.075 67 A CA -0.449 51.661 52.037 0.121 0.000 0.714 67 A CB 1.308 20.483 19.000 0.290 0.000 1.299 67 A HN 0.795 nan 8.150 nan 0.000 0.407 68 D N 0.712 121.195 120.400 0.138 0.000 2.982 68 D HA 0.417 5.057 4.640 0.000 0.000 0.238 68 D C 0.006 176.280 176.300 -0.044 0.000 1.168 68 D CA 0.720 54.746 54.000 0.044 0.000 0.947 68 D CB -0.233 40.612 40.800 0.074 0.000 1.147 68 D HN 0.901 nan 8.370 nan 0.000 0.450 69 A N 0.604 123.293 122.820 -0.217 0.000 2.532 69 A HA 0.377 4.697 4.320 0.000 0.000 0.296 69 A C -1.128 176.016 177.584 -0.734 0.000 1.058 69 A CA -1.001 50.769 52.037 -0.444 0.000 0.729 69 A CB 1.048 19.714 19.000 -0.557 0.000 1.285 69 A HN 0.076 nan 8.150 nan 0.000 0.396 70 D N 0.290 120.378 120.400 -0.519 0.000 2.382 70 D HA 0.513 5.153 4.640 0.000 0.000 0.240 70 D C -0.774 175.211 176.300 -0.525 0.000 1.146 70 D CA 1.623 55.368 54.000 -0.425 0.000 0.897 70 D CB 0.322 40.978 40.800 -0.240 0.000 1.197 70 D HN 0.368 nan 8.370 nan 0.000 0.432 71 F N 1.140 120.999 119.950 -0.153 0.000 2.547 71 F HA 0.352 4.879 4.527 0.000 0.000 0.316 71 F C -0.690 175.037 175.800 -0.122 0.000 1.121 71 F CA -1.267 56.637 58.000 -0.160 0.000 0.911 71 F CB 1.468 40.357 39.000 -0.185 0.000 1.179 71 F HN 0.072 nan 8.300 nan 0.000 0.443 72 L N 6.570 127.865 121.223 0.120 0.000 2.356 72 L HA 0.502 4.842 4.340 0.000 0.000 0.264 72 L C -1.024 175.916 176.870 0.116 0.000 1.029 72 L CA -0.700 54.189 54.840 0.083 0.000 0.897 72 L CB 0.632 42.701 42.059 0.017 0.000 1.256 72 L HN 0.500 nan 8.230 nan 0.000 0.444 73 L N 2.423 123.707 121.223 0.102 0.000 2.350 73 L HA 0.655 4.995 4.340 0.000 0.000 0.275 73 L C -1.160 175.846 176.870 0.226 0.000 1.099 73 L CA 0.108 55.016 54.840 0.113 0.000 0.808 73 L CB 1.068 43.121 42.059 -0.010 0.000 1.149 73 L HN 0.504 nan 8.230 nan 0.000 0.442 74 F N 3.801 123.796 119.950 0.075 0.000 2.540 74 F HA 0.664 5.191 4.527 0.000 0.000 0.317 74 F C -0.527 175.292 175.800 0.032 0.000 1.104 74 F CA -1.123 56.901 58.000 0.039 0.000 0.913 74 F CB 2.073 41.129 39.000 0.093 0.000 1.170 74 F HN 0.516 nan 8.300 nan 0.000 0.450 75 V N 6.720 126.296 119.914 -0.563 0.000 2.304 75 V HA 0.245 4.365 4.120 0.000 0.000 0.262 75 V C 0.749 176.499 176.094 -0.574 0.000 1.061 75 V CA -0.382 61.681 62.300 -0.397 0.000 0.872 75 V CB 0.306 31.972 31.823 -0.262 0.000 1.077 75 V HN 0.986 nan 8.190 nan 0.000 0.480 76 L N 2.817 123.846 121.223 -0.323 0.000 2.027 76 L HA 0.019 4.359 4.340 0.000 0.000 0.206 76 L C 1.437 178.220 176.870 -0.144 0.000 1.074 76 L CA 1.746 56.468 54.840 -0.197 0.000 0.745 76 L CB -0.198 41.867 42.059 0.010 0.000 0.898 76 L HN 0.939 nan 8.230 nan 0.000 0.433 77 S N -2.131 113.508 115.700 -0.102 0.000 2.806 77 S HA 0.706 5.176 4.470 0.000 0.000 0.306 77 S C 0.177 174.726 174.600 -0.085 0.000 1.167 77 S CA -0.308 57.841 58.200 -0.085 0.000 0.847 77 S CB 1.445 64.610 63.200 -0.058 0.000 1.216 77 S HN 0.411 nan 8.310 nan 0.000 0.532 78 G N 0.820 109.559 108.800 -0.101 0.000 2.649 78 G HA2 -0.151 3.809 3.960 0.000 0.000 0.281 78 G HA3 -0.151 3.809 3.960 0.000 0.000 0.281 78 G C -0.386 174.467 174.900 -0.078 0.000 1.325 78 G CA 0.501 45.524 45.100 -0.129 0.000 0.916 78 G HN 0.928 nan 8.290 nan 0.000 0.562 79 R N -1.088 119.386 120.500 -0.044 0.000 3.029 79 R HA 0.847 5.188 4.340 0.000 0.000 0.239 79 R C 0.115 176.434 176.300 0.032 0.000 1.351 79 R CA 0.030 56.130 56.100 0.001 0.000 1.052 79 R CB 1.822 32.154 30.300 0.054 0.000 1.354 79 R HN 1.945 nan 8.270 nan 0.000 0.499 80 A N 0.334 123.168 122.820 0.023 0.000 2.522 80 A HA 0.429 4.749 4.320 0.000 0.000 0.294 80 A C -1.814 175.792 177.584 0.037 0.000 1.001 80 A CA -0.712 51.364 52.037 0.066 0.000 0.642 80 A CB 0.905 19.969 19.000 0.108 0.000 1.326 80 A HN 0.495 nan 8.150 nan 0.000 0.435 81 I N 1.313 121.929 120.570 0.076 0.000 2.439 81 I HA 0.412 4.582 4.170 0.000 0.000 0.283 81 I C -0.935 175.235 176.117 0.087 0.000 1.023 81 I CA -0.576 60.764 61.300 0.067 0.000 1.100 81 I CB 1.507 39.554 38.000 0.079 0.000 1.238 81 I HN 0.568 nan 8.210 nan 0.000 0.445 82 L N 6.859 128.128 121.223 0.077 0.000 2.264 82 L HA 0.522 4.862 4.340 0.000 0.000 0.289 82 L C -0.253 176.627 176.870 0.017 0.000 1.044 82 L CA 0.573 55.459 54.840 0.076 0.000 0.807 82 L CB 1.315 43.425 42.059 0.085 0.000 1.192 82 L HN 0.541 nan 8.230 nan 0.000 0.425 83 T N 6.345 120.816 114.554 -0.139 0.000 2.809 83 T HA 0.576 4.926 4.350 0.000 0.000 0.284 83 T C -0.484 174.024 174.700 -0.320 0.000 0.992 83 T CA -0.328 61.567 62.100 -0.341 0.000 0.957 83 T CB 0.821 69.255 68.868 -0.724 0.000 0.942 83 T HN 0.390 nan 8.240 nan 0.000 0.439 84 L N 3.475 124.616 121.223 -0.137 0.000 2.280 84 L HA 0.652 4.992 4.340 0.000 0.000 0.287 84 L C 0.295 177.142 176.870 -0.039 0.000 1.023 84 L CA -1.248 53.573 54.840 -0.032 0.000 0.819 84 L CB 1.248 43.332 42.059 0.041 0.000 1.212 84 L HN 0.510 nan 8.230 nan 0.000 0.420 85 V N 0.607 120.521 119.914 -0.000 0.000 2.407 85 V HA 0.522 4.642 4.120 0.000 0.000 0.278 85 V C -0.077 176.037 176.094 0.034 0.000 1.037 85 V CA -0.367 61.953 62.300 0.035 0.000 0.900 85 V CB 0.896 32.781 31.823 0.103 0.000 0.983 85 V HN 0.809 nan 8.190 nan 0.000 0.459 86 N N 3.701 122.414 118.700 0.022 0.000 2.502 86 N HA 0.270 5.010 4.740 0.000 0.000 0.280 86 N C 0.428 175.946 175.510 0.014 0.000 1.223 86 N CA -0.172 52.884 53.050 0.010 0.000 0.966 86 N CB 1.069 39.559 38.487 0.005 0.000 1.203 86 N HN 0.906 nan 8.380 nan 0.000 0.565 87 N N -0.139 118.562 118.700 0.002 0.000 2.571 87 N HA -0.128 4.613 4.740 0.000 0.000 0.189 87 N C 0.009 175.524 175.510 0.008 0.000 1.154 87 N CA 1.008 54.061 53.050 0.004 0.000 0.907 87 N CB -0.022 38.459 38.487 -0.010 0.000 0.977 87 N HN 0.536 nan 8.380 nan 0.000 0.449 88 D N -3.575 116.830 120.400 0.008 0.000 2.453 88 D HA 0.165 4.805 4.640 0.000 0.000 0.256 88 D C -0.260 176.046 176.300 0.011 0.000 1.152 88 D CA -0.143 53.862 54.000 0.009 0.000 0.818 88 D CB 0.281 41.083 40.800 0.003 0.000 1.259 88 D HN 0.055 nan 8.370 nan 0.000 0.531 89 D N 0.063 120.470 120.400 0.011 0.000 3.966 89 D HA 0.483 5.123 4.640 0.000 0.000 0.310 89 D C -1.295 175.010 176.300 0.009 0.000 1.536 89 D CA -0.177 53.828 54.000 0.009 0.000 0.980 89 D CB 1.441 42.241 40.800 0.000 0.000 1.397 89 D HN 0.075 nan 8.370 nan 0.000 0.643 90 R N 0.144 120.638 120.500 -0.010 0.000 3.329 90 R HA 0.436 4.776 4.340 0.000 0.000 0.251 90 R C -2.393 173.855 176.300 -0.087 0.000 1.023 90 R CA -0.735 55.349 56.100 -0.028 0.000 1.009 90 R CB 0.765 31.066 30.300 0.002 0.000 1.250 90 R HN 0.183 nan 8.270 nan 0.000 0.518 91 D N 1.848 122.159 120.400 -0.148 0.000 2.629 91 D HA 0.314 4.954 4.640 0.000 0.000 0.250 91 D C -1.040 174.998 176.300 -0.435 0.000 1.126 91 D CA -0.442 53.355 54.000 -0.338 0.000 0.852 91 D CB 2.299 42.851 40.800 -0.413 0.000 1.335 91 D HN 0.423 nan 8.370 nan 0.000 0.518 92 S N 1.647 117.087 115.700 -0.433 0.000 2.422 92 S HA 0.380 4.850 4.470 0.000 0.000 0.308 92 S C -0.873 173.511 174.600 -0.360 0.000 1.097 92 S CA -0.540 57.488 58.200 -0.287 0.000 1.099 92 S CB 0.152 63.277 63.200 -0.124 0.000 0.976 92 S HN 0.202 nan 8.310 nan 0.000 0.471 93 Y N 2.211 122.495 120.300 -0.026 0.000 2.387 93 Y HA 0.346 4.896 4.550 0.000 0.000 0.336 93 Y C 0.613 176.485 175.900 -0.047 0.000 1.067 93 Y CA -1.142 56.944 58.100 -0.024 0.000 1.114 93 Y CB 0.967 39.414 38.460 -0.022 0.000 1.208 93 Y HN 0.534 nan 8.280 nan 0.000 0.458 94 N N 3.052 121.817 118.700 0.109 0.000 2.437 94 N HA 0.342 5.083 4.740 0.000 0.000 0.243 94 N C -1.572 173.815 175.510 -0.205 0.000 1.041 94 N CA -0.215 52.793 53.050 -0.070 0.000 0.940 94 N CB 0.370 38.804 38.487 -0.089 0.000 1.133 94 N HN 0.418 nan 8.380 nan 0.000 0.506 95 L N 4.553 125.650 121.223 -0.209 0.000 2.262 95 L HA 0.355 4.695 4.340 0.000 0.000 0.288 95 L C 0.168 176.869 176.870 -0.282 0.000 1.035 95 L CA -0.679 54.036 54.840 -0.208 0.000 0.820 95 L CB 0.446 42.449 42.059 -0.094 0.000 1.204 95 L HN 0.510 nan 8.230 nan 0.000 0.424 96 H N 2.791 121.827 119.070 -0.058 0.000 2.495 96 H HA 0.331 4.888 4.556 0.000 0.000 0.350 96 H C -2.237 173.002 175.328 -0.147 0.000 1.202 96 H CA -2.278 53.725 56.048 -0.074 0.000 1.322 96 H CB 0.971 30.698 29.762 -0.058 0.000 1.544 96 H HN 0.282 nan 8.280 nan 0.000 0.565 97 P HA -0.001 nan 4.420 nan 0.000 0.264 97 P C 0.961 178.121 177.300 -0.234 0.000 1.193 97 P CA 1.284 64.285 63.100 -0.165 0.000 0.763 97 P CB 0.315 31.944 31.700 -0.119 0.000 0.810 98 G N 1.909 110.430 108.800 -0.466 0.000 2.213 98 G HA2 -0.192 3.768 3.960 0.000 0.000 0.236 98 G HA3 -0.192 3.768 3.960 0.000 0.000 0.236 98 G C 0.113 174.811 174.900 -0.337 0.000 0.991 98 G CA -0.295 44.548 45.100 -0.428 0.000 0.629 98 G HN 0.502 nan 8.290 nan 0.000 0.517 99 D N 1.328 121.534 120.400 -0.325 0.000 2.372 99 D HA 0.667 5.307 4.640 0.000 0.000 0.243 99 D C 0.591 176.715 176.300 -0.293 0.000 1.121 99 D CA 1.126 54.980 54.000 -0.243 0.000 0.898 99 D CB 1.399 42.119 40.800 -0.133 0.000 1.202 99 D HN 0.797 nan 8.370 nan 0.000 0.428 100 A N 1.899 124.466 122.820 -0.422 0.000 2.430 100 A HA 0.723 5.044 4.320 0.000 0.000 0.300 100 A C -0.835 176.573 177.584 -0.294 0.000 1.124 100 A CA -0.522 51.296 52.037 -0.364 0.000 0.766 100 A CB 2.036 20.633 19.000 -0.672 0.000 1.328 100 A HN 0.455 nan 8.150 nan 0.000 0.424 101 Q N 0.053 119.847 119.800 -0.010 0.000 2.545 101 Q HA 0.400 4.740 4.340 0.000 0.000 0.273 101 Q C -1.657 174.401 176.000 0.097 0.000 0.975 101 Q CA -0.511 55.333 55.803 0.069 0.000 0.876 101 Q CB 1.417 30.107 28.738 -0.080 0.000 1.472 101 Q HN 0.724 nan 8.270 nan 0.000 0.389 102 R N 3.494 124.043 120.500 0.083 0.000 2.294 102 R HA 0.521 4.861 4.340 0.000 0.000 0.319 102 R C -1.030 175.257 176.300 -0.022 0.000 0.984 102 R CA -0.395 55.730 56.100 0.042 0.000 0.861 102 R CB 0.576 30.900 30.300 0.039 0.000 1.104 102 R HN 0.772 nan 8.270 nan 0.000 0.451 103 I N 7.703 128.249 120.570 -0.040 0.000 2.371 103 I HA 0.253 4.423 4.170 0.000 0.000 0.282 103 I C -1.951 174.108 176.117 -0.096 0.000 1.031 103 I CA -2.251 58.989 61.300 -0.100 0.000 1.180 103 I CB 1.811 39.681 38.000 -0.216 0.000 1.336 103 I HN 0.320 nan 8.210 nan 0.000 0.467 104 P HA -0.064 nan 4.420 nan 0.000 0.271 104 P C -0.220 177.002 177.300 -0.130 0.000 1.228 104 P CA -0.046 62.997 63.100 -0.095 0.000 0.797 104 P CB 0.519 32.179 31.700 -0.067 0.000 0.914 105 A N 1.014 123.748 122.820 -0.143 0.000 2.327 105 A HA 0.473 4.793 4.320 0.000 0.000 0.255 105 A C 1.313 178.837 177.584 -0.099 0.000 1.099 105 A CA 0.166 52.109 52.037 -0.157 0.000 0.801 105 A CB -1.197 17.712 19.000 -0.153 0.000 1.062 105 A HN 0.828 nan 8.150 nan 0.000 0.496 106 G N 0.285 109.055 108.800 -0.049 0.000 2.422 106 G HA2 -0.160 3.800 3.960 0.000 0.000 0.301 106 G HA3 -0.160 3.800 3.960 0.000 0.000 0.301 106 G C 0.269 175.086 174.900 -0.139 0.000 0.981 106 G CA 0.908 45.965 45.100 -0.070 0.000 0.994 106 G HN 1.120 nan 8.290 nan 0.000 0.514 107 T N 0.619 115.164 114.554 -0.015 0.000 2.779 107 T HA 0.526 4.876 4.350 0.000 0.000 0.280 107 T C 0.469 175.258 174.700 0.149 0.000 0.987 107 T CA -0.222 61.885 62.100 0.012 0.000 0.966 107 T CB 1.639 70.509 68.868 0.003 0.000 0.933 107 T HN 0.177 nan 8.240 nan 0.000 0.442 108 T N 4.258 118.877 114.554 0.108 0.000 2.907 108 T HA 0.517 4.867 4.350 0.000 0.000 0.298 108 T C -0.744 174.084 174.700 0.213 0.000 1.017 108 T CA -0.036 62.157 62.100 0.154 0.000 1.118 108 T CB -0.067 68.888 68.868 0.145 0.000 0.948 108 T HN 0.656 nan 8.240 nan 0.000 0.531 109 Y N 0.515 120.811 120.300 -0.006 0.000 2.662 109 Y HA 0.599 5.149 4.550 0.000 0.000 0.334 109 Y C -1.918 174.054 175.900 0.120 0.000 1.185 109 Y CA -2.125 55.935 58.100 -0.066 0.000 1.074 109 Y CB 0.694 39.097 38.460 -0.095 0.000 1.330 109 Y HN 0.699 nan 8.280 nan 0.000 0.458 110 Y N 1.121 121.492 120.300 0.119 0.000 2.576 110 Y HA 0.853 5.403 4.550 0.000 0.000 0.346 110 Y C -1.985 174.009 175.900 0.157 0.000 1.018 110 Y CA -1.710 56.432 58.100 0.069 0.000 1.050 110 Y CB 1.572 40.077 38.460 0.075 0.000 1.280 110 Y HN 0.711 nan 8.280 nan 0.000 0.474 111 L N 2.650 124.045 121.223 0.287 0.000 2.333 111 L HA 0.740 5.081 4.340 0.000 0.000 0.280 111 L C -1.145 175.875 176.870 0.250 0.000 1.004 111 L CA -0.977 53.991 54.840 0.215 0.000 0.820 111 L CB 1.864 43.957 42.059 0.056 0.000 1.247 111 L HN 0.677 nan 8.230 nan 0.000 0.416 112 V N 3.878 123.928 119.914 0.227 0.000 2.495 112 V HA 0.476 4.596 4.120 0.000 0.000 0.298 112 V C -0.257 175.936 176.094 0.164 0.000 1.031 112 V CA -0.850 61.565 62.300 0.191 0.000 0.871 112 V CB 1.781 33.707 31.823 0.172 0.000 0.988 112 V HN 0.727 nan 8.190 nan 0.000 0.432 113 N N 6.584 125.376 118.700 0.153 0.000 2.678 113 N HA 0.323 5.063 4.740 0.000 0.000 0.231 113 N C -2.153 173.418 175.510 0.103 0.000 1.038 113 N CA -2.152 50.976 53.050 0.130 0.000 0.932 113 N CB 1.387 39.946 38.487 0.119 0.000 1.176 113 N HN 0.374 nan 8.380 nan 0.000 0.511 114 P HA 0.102 nan 4.420 nan 0.000 0.226 114 P C -0.859 176.468 177.300 0.047 0.000 1.758 114 P CA 0.084 63.218 63.100 0.056 0.000 0.896 114 P CB -0.354 31.374 31.700 0.047 0.000 1.784 115 H N -0.207 118.846 119.070 -0.028 0.000 2.771 115 H HA 0.343 4.899 4.556 0.000 0.000 0.367 115 H C 0.620 175.869 175.328 -0.132 0.000 1.172 115 H CA -0.471 55.534 56.048 -0.071 0.000 1.186 115 H CB 1.790 31.526 29.762 -0.045 0.000 1.790 115 H HN -0.252 nan 8.280 nan 0.000 0.556 116 D N 0.039 120.112 120.400 -0.545 0.000 2.422 116 D HA 0.024 4.664 4.640 0.000 0.000 0.218 116 D C 0.526 176.628 176.300 -0.330 0.000 1.047 116 D CA 0.754 54.468 54.000 -0.477 0.000 0.885 116 D CB 0.507 40.872 40.800 -0.726 0.000 1.035 116 D HN 0.679 nan 8.370 nan 0.000 0.502 117 H N -0.892 118.395 119.070 0.361 0.000 3.360 117 H HA 0.296 4.852 4.556 0.000 0.000 0.262 117 H C 0.207 175.643 175.328 0.180 0.000 1.149 117 H CA -0.267 55.928 56.048 0.244 0.000 1.181 117 H CB 1.050 30.919 29.762 0.178 0.000 1.564 117 H HN -0.109 nan 8.280 nan 0.000 0.565 118 Q N 1.881 121.813 119.800 0.220 0.000 2.348 118 Q HA 0.240 4.580 4.340 0.000 0.000 0.265 118 Q C -0.580 175.363 176.000 -0.095 0.000 0.998 118 Q CA -0.538 55.172 55.803 -0.156 0.000 0.831 118 Q CB 0.959 29.324 28.738 -0.622 0.000 1.251 118 Q HN 0.377 nan 8.270 nan 0.000 0.456 119 N N 1.964 120.634 118.700 -0.051 0.000 2.267 119 N HA 0.050 4.790 4.740 0.000 0.000 0.226 119 N C -0.958 174.507 175.510 -0.075 0.000 1.314 119 N CA 0.185 53.204 53.050 -0.051 0.000 0.887 119 N CB 0.491 38.949 38.487 -0.048 0.000 1.120 119 N HN 0.333 nan 8.380 nan 0.000 0.440 120 L N 1.239 122.408 121.223 -0.088 0.000 2.376 120 L HA 0.392 4.733 4.340 0.000 0.000 0.275 120 L C -0.898 175.903 176.870 -0.114 0.000 0.987 120 L CA -0.312 54.483 54.840 -0.075 0.000 0.828 120 L CB 1.271 43.322 42.059 -0.013 0.000 1.249 120 L HN 0.349 nan 8.230 nan 0.000 0.409 121 K N 5.451 125.820 120.400 -0.051 0.000 2.323 121 K HA 0.719 5.039 4.320 0.000 0.000 0.259 121 K C -1.500 175.134 176.600 0.057 0.000 0.947 121 K CA -0.467 55.810 56.287 -0.017 0.000 0.819 121 K CB 1.272 33.774 32.500 0.003 0.000 1.109 121 K HN 0.701 nan 8.250 nan 0.000 0.429 122 I N 4.580 125.239 120.570 0.149 0.000 2.656 122 I HA 0.363 4.533 4.170 0.000 0.000 0.292 122 I C -1.120 175.141 176.117 0.240 0.000 1.144 122 I CA -0.983 60.444 61.300 0.211 0.000 1.038 122 I CB 2.086 40.278 38.000 0.320 0.000 1.244 122 I HN 0.582 nan 8.210 nan 0.000 0.420 123 I N 6.316 127.038 120.570 0.253 0.000 2.493 123 I HA 0.451 4.621 4.170 0.000 0.000 0.298 123 I C -1.146 175.143 176.117 0.286 0.000 0.998 123 I CA -0.138 61.331 61.300 0.282 0.000 1.137 123 I CB 1.142 39.349 38.000 0.346 0.000 1.310 123 I HN 0.467 nan 8.210 nan 0.000 0.445 124 K N 7.170 127.676 120.400 0.176 0.000 2.482 124 K HA 0.456 4.776 4.320 0.000 0.000 0.251 124 K C -1.544 175.056 176.600 0.000 0.000 0.936 124 K CA -0.764 55.559 56.287 0.061 0.000 0.791 124 K CB 2.340 34.723 32.500 -0.195 0.000 1.213 124 K HN 0.434 nan 8.250 nan 0.000 0.428 125 L N 2.247 123.378 121.223 -0.155 0.000 2.292 125 L HA 0.583 4.924 4.340 0.000 0.000 0.284 125 L C -0.844 176.003 176.870 -0.038 0.000 1.065 125 L CA 0.119 54.783 54.840 -0.294 0.000 0.806 125 L CB 1.054 42.598 42.059 -0.858 0.000 1.175 125 L HN 0.797 nan 8.230 nan 0.000 0.431 126 A N 6.230 129.046 122.820 -0.007 0.000 2.304 126 A HA 0.748 5.068 4.320 0.000 0.000 0.323 126 A C -0.638 176.821 177.584 -0.207 0.000 1.195 126 A CA -0.461 51.544 52.037 -0.054 0.000 0.826 126 A CB 0.446 19.347 19.000 -0.166 0.000 1.184 126 A HN 0.711 nan 8.150 nan 0.000 0.496 127 I N 4.199 124.583 120.570 -0.310 0.000 2.460 127 I HA 0.278 4.448 4.170 0.000 0.000 0.277 127 I C -2.399 173.507 176.117 -0.351 0.000 1.057 127 I CA -1.841 59.240 61.300 -0.365 0.000 1.179 127 I CB 1.608 39.420 38.000 -0.314 0.000 1.329 127 I HN 0.363 nan 8.210 nan 0.000 0.478 128 P HA 0.066 nan 4.420 nan 0.000 0.269 128 P C 0.669 177.872 177.300 -0.162 0.000 1.215 128 P CA -0.067 62.915 63.100 -0.197 0.000 0.780 128 P CB 1.129 32.776 31.700 -0.089 0.000 0.898 129 V N 0.422 120.268 119.914 -0.113 0.000 3.621 129 V HA 0.071 4.191 4.120 0.000 0.000 0.263 129 V C 1.412 177.467 176.094 -0.065 0.000 1.272 129 V CA 0.902 63.142 62.300 -0.099 0.000 1.080 129 V CB -0.583 31.180 31.823 -0.100 0.000 0.816 129 V HN 0.466 nan 8.190 nan 0.000 0.451 130 N N 1.137 119.814 118.700 -0.039 0.000 2.517 130 N HA 0.113 4.853 4.740 0.000 0.000 0.202 130 N C 0.353 175.848 175.510 -0.025 0.000 1.042 130 N CA 0.601 53.636 53.050 -0.026 0.000 0.952 130 N CB 0.293 38.776 38.487 -0.005 0.000 1.211 130 N HN 0.417 nan 8.380 nan 0.000 0.458 131 K N 1.823 122.214 120.400 -0.016 0.000 2.164 131 K HA 0.426 4.746 4.320 0.000 0.000 0.258 131 K C -2.600 173.984 176.600 -0.027 0.000 0.951 131 K CA -1.885 54.391 56.287 -0.018 0.000 0.844 131 K CB 1.061 33.556 32.500 -0.008 0.000 1.099 131 K HN 0.034 nan 8.250 nan 0.000 0.435 132 P HA -0.003 nan 4.420 nan 0.000 0.268 132 P C 0.503 177.779 177.300 -0.040 0.000 1.204 132 P CA 0.449 63.518 63.100 -0.052 0.000 0.768 132 P CB 0.650 32.324 31.700 -0.042 0.000 0.842 133 G N 2.914 111.676 108.800 -0.064 0.000 2.200 133 G HA2 -0.285 3.676 3.960 0.000 0.000 0.267 133 G HA3 -0.285 3.676 3.960 0.000 0.000 0.267 133 G C 0.092 174.996 174.900 0.007 0.000 0.993 133 G CA 0.138 45.211 45.100 -0.045 0.000 0.701 133 G HN 0.696 nan 8.290 nan 0.000 0.524 134 R N -0.803 119.720 120.500 0.038 0.000 2.575 134 R HA 0.628 4.968 4.340 0.000 0.000 0.293 134 R C -0.644 175.759 176.300 0.170 0.000 0.983 134 R CA -0.802 55.355 56.100 0.095 0.000 0.887 134 R CB 1.843 32.159 30.300 0.027 0.000 1.184 134 R HN 0.523 nan 8.270 nan 0.000 0.445 135 Y N -1.110 119.159 120.300 -0.050 0.000 2.655 135 Y HA 0.602 5.152 4.550 0.000 0.000 0.336 135 Y C -1.590 174.285 175.900 -0.041 0.000 1.154 135 Y CA -1.401 56.673 58.100 -0.044 0.000 1.055 135 Y CB 1.626 40.050 38.460 -0.059 0.000 1.295 135 Y HN 0.372 nan 8.280 nan 0.000 0.465 136 D N 0.434 120.635 120.400 -0.331 0.000 2.477 136 D HA 0.324 4.964 4.640 0.000 0.000 0.234 136 D C -1.581 174.457 176.300 -0.436 0.000 1.048 136 D CA -0.396 53.302 54.000 -0.503 0.000 0.959 136 D CB 2.466 43.002 40.800 -0.439 0.000 1.408 136 D HN 0.652 nan 8.370 nan 0.000 0.496 137 D N 0.364 120.446 120.400 -0.530 0.000 2.362 137 D HA 0.335 4.975 4.640 0.000 0.000 0.247 137 D C -0.845 175.047 176.300 -0.680 0.000 1.050 137 D CA -0.315 53.443 54.000 -0.404 0.000 0.839 137 D CB 1.567 42.201 40.800 -0.276 0.000 1.283 137 D HN 0.110 nan 8.370 nan 0.000 0.477 138 F N 2.344 121.951 119.950 -0.572 0.000 2.366 138 F HA 0.338 4.865 4.527 0.000 0.000 0.366 138 F C -0.083 175.511 175.800 -0.343 0.000 1.096 138 F CA -0.734 56.916 58.000 -0.584 0.000 1.060 138 F CB 0.606 38.889 39.000 -1.194 0.000 1.282 138 F HN 0.175 nan 8.300 nan 0.000 0.450 139 F N 3.897 123.977 119.950 0.216 0.000 2.411 139 F HA 0.253 4.780 4.527 0.000 0.000 0.350 139 F C 1.266 177.346 175.800 0.467 0.000 1.114 139 F CA -0.276 57.894 58.000 0.284 0.000 1.135 139 F CB 1.111 40.137 39.000 0.043 0.000 1.120 139 F HN 0.472 nan 8.300 nan 0.000 0.495 140 L N 1.874 123.473 121.223 0.626 0.000 2.023 140 L HA -0.086 4.254 4.340 0.000 0.000 0.205 140 L C 1.564 178.524 176.870 0.150 0.000 1.073 140 L CA 0.684 55.692 54.840 0.281 0.000 0.745 140 L CB -0.275 41.958 42.059 0.290 0.000 0.900 140 L HN 0.723 nan 8.230 nan 0.000 0.435 141 S N -0.634 115.180 115.700 0.190 0.000 2.553 141 S HA -0.064 4.406 4.470 0.000 0.000 0.271 141 S C 0.166 174.814 174.600 0.080 0.000 1.362 141 S CA -0.159 58.100 58.200 0.098 0.000 1.010 141 S CB 0.905 64.139 63.200 0.057 0.000 0.865 141 S HN 0.280 nan 8.310 nan 0.000 0.543 142 S N 1.212 116.945 115.700 0.054 0.000 2.596 142 S HA 0.651 5.121 4.470 0.000 0.000 0.318 142 S C -0.385 174.224 174.600 0.014 0.000 1.097 142 S CA -0.174 58.062 58.200 0.061 0.000 1.080 142 S CB 0.207 63.493 63.200 0.143 0.000 0.991 142 S HN 1.208 nan 8.310 nan 0.000 0.471 143 T N 1.892 116.435 114.554 -0.018 0.000 2.838 143 T HA 0.423 4.773 4.350 0.000 0.000 0.292 143 T C 0.620 175.314 174.700 -0.010 0.000 1.113 143 T CA -0.772 61.312 62.100 -0.028 0.000 1.008 143 T CB 1.157 69.981 68.868 -0.074 0.000 1.259 143 T HN 0.433 nan 8.240 nan 0.000 0.520 144 Q N -0.455 119.348 119.800 0.004 0.000 2.508 144 Q HA 0.116 4.456 4.340 0.000 0.000 0.214 144 Q C 1.831 177.851 176.000 0.033 0.000 0.979 144 Q CA 1.164 56.977 55.803 0.016 0.000 0.911 144 Q CB -0.254 28.493 28.738 0.015 0.000 0.969 144 Q HN 0.782 nan 8.270 nan 0.000 0.504 145 A N -0.236 122.616 122.820 0.052 0.000 2.026 145 A HA 0.079 4.399 4.320 0.000 0.000 0.201 145 A C 0.257 177.865 177.584 0.040 0.000 1.318 145 A CA -0.028 52.080 52.037 0.118 0.000 0.857 145 A CB 0.518 19.755 19.000 0.396 0.000 0.939 145 A HN 0.293 nan 8.150 nan 0.000 0.476 146 Q N -0.351 119.421 119.800 -0.047 0.000 2.397 146 Q HA 0.665 5.006 4.340 0.000 0.000 0.275 146 Q C -1.231 174.750 176.000 -0.032 0.000 1.090 146 Q CA -0.618 55.147 55.803 -0.064 0.000 0.809 146 Q CB 1.104 29.746 28.738 -0.161 0.000 1.362 146 Q HN 0.308 nan 8.270 nan 0.000 0.431 147 Q N 0.946 120.738 119.800 -0.014 0.000 2.241 147 Q HA 0.452 4.792 4.340 0.000 0.000 0.254 147 Q C -0.340 175.672 176.000 0.020 0.000 0.917 147 Q CA -0.709 55.082 55.803 -0.020 0.000 0.919 147 Q CB 1.839 30.541 28.738 -0.060 0.000 1.237 147 Q HN 0.817 nan 8.270 nan 0.000 0.434 148 S N 1.396 117.111 115.700 0.024 0.000 2.572 148 S HA -0.074 4.396 4.470 0.000 0.000 0.267 148 S C 0.709 175.329 174.600 0.032 0.000 1.361 148 S CA 0.037 58.270 58.200 0.055 0.000 1.009 148 S CB 0.339 63.562 63.200 0.038 0.000 0.888 148 S HN 0.660 nan 8.310 nan 0.000 0.553 149 Y N 1.522 121.888 120.300 0.109 0.000 2.516 149 Y HA 0.246 4.796 4.550 0.000 0.000 0.291 149 Y C 1.797 177.704 175.900 0.012 0.000 1.131 149 Y CA 0.089 58.227 58.100 0.064 0.000 1.281 149 Y CB -0.516 38.065 38.460 0.202 0.000 1.013 149 Y HN 0.470 nan 8.280 nan 0.000 0.554 150 L N 0.405 121.498 121.223 -0.216 0.000 2.079 150 L HA -0.219 4.121 4.340 0.000 0.000 0.210 150 L C 2.162 179.051 176.870 0.032 0.000 1.081 150 L CA 1.352 56.235 54.840 0.071 0.000 0.752 150 L CB -0.443 41.771 42.059 0.259 0.000 0.896 150 L HN 0.351 nan 8.230 nan 0.000 0.433 151 Q N -0.168 119.472 119.800 -0.268 0.000 2.452 151 Q HA -0.039 4.302 4.340 0.000 0.000 0.214 151 Q C 1.576 177.396 176.000 -0.301 0.000 0.966 151 Q CA 0.602 56.107 55.803 -0.496 0.000 0.964 151 Q CB 0.205 28.473 28.738 -0.783 0.000 0.992 151 Q HN 0.533 nan 8.270 nan 0.000 0.517 152 G N -0.921 107.714 108.800 -0.274 0.000 2.796 152 G HA2 0.076 4.036 3.960 0.000 0.000 0.210 152 G HA3 0.076 4.036 3.960 0.000 0.000 0.210 152 G C 0.395 175.107 174.900 -0.314 0.000 1.146 152 G CA -0.232 44.683 45.100 -0.308 0.000 0.779 152 G HN 0.123 nan 8.290 nan 0.000 0.535 153 F N 1.449 121.382 119.950 -0.028 0.000 2.291 153 F HA 0.436 4.963 4.527 0.000 0.000 0.305 153 F C 1.057 176.796 175.800 -0.101 0.000 1.171 153 F CA -0.878 57.109 58.000 -0.021 0.000 1.090 153 F CB 0.905 39.929 39.000 0.041 0.000 1.436 153 F HN -0.106 nan 8.300 nan 0.000 0.509 154 S N -0.902 114.892 115.700 0.158 0.000 2.616 154 S HA 0.189 4.659 4.470 0.000 0.000 0.277 154 S C 0.697 175.283 174.600 -0.022 0.000 1.234 154 S CA -0.748 57.444 58.200 -0.013 0.000 1.028 154 S CB 0.805 64.031 63.200 0.045 0.000 0.988 154 S HN 0.538 nan 8.310 nan 0.000 0.522 155 H N 2.464 121.471 119.070 -0.105 0.000 2.390 155 H HA -0.175 4.382 4.556 0.000 0.000 0.298 155 H C 1.766 177.127 175.328 0.054 0.000 1.106 155 H CA 2.203 58.154 56.048 -0.161 0.000 1.297 155 H CB -0.414 29.052 29.762 -0.494 0.000 1.375 155 H HN 0.817 nan 8.280 nan 0.000 0.509 156 N N 0.933 119.731 118.700 0.164 0.000 2.080 156 N HA -0.100 4.640 4.740 0.000 0.000 0.189 156 N C 1.910 177.486 175.510 0.111 0.000 1.036 156 N CA 1.066 54.193 53.050 0.129 0.000 0.846 156 N CB -0.404 38.132 38.487 0.082 0.000 1.015 156 N HN 0.143 nan 8.380 nan 0.000 0.423 157 I N 0.183 120.801 120.570 0.081 0.000 2.394 157 I HA -0.147 4.023 4.170 0.000 0.000 0.251 157 I C 1.965 178.113 176.117 0.052 0.000 1.136 157 I CA 0.848 62.157 61.300 0.014 0.000 1.425 157 I CB -0.023 37.942 38.000 -0.058 0.000 1.079 157 I HN 0.159 nan 8.210 nan 0.000 0.425 158 L N -0.181 121.165 121.223 0.204 0.000 2.072 158 L HA -0.207 4.134 4.340 0.000 0.000 0.205 158 L C 2.443 179.594 176.870 0.468 0.000 1.079 158 L CA 1.410 56.508 54.840 0.431 0.000 0.752 158 L CB -0.496 41.914 42.059 0.586 0.000 0.906 158 L HN 0.196 nan 8.230 nan 0.000 0.436 159 E N -0.629 119.783 120.200 0.354 0.000 2.070 159 E HA -0.245 4.105 4.350 0.000 0.000 0.197 159 E C 1.961 178.702 176.600 0.235 0.000 1.004 159 E CA 2.086 58.670 56.400 0.306 0.000 0.805 159 E CB 0.055 29.907 29.700 0.253 0.000 0.744 159 E HN 0.500 nan 8.360 nan 0.000 0.451 160 T N 0.045 114.684 114.554 0.142 0.000 2.668 160 T HA -0.142 4.208 4.350 0.000 0.000 0.262 160 T C 2.111 176.812 174.700 0.001 0.000 1.045 160 T CA 1.565 63.699 62.100 0.057 0.000 1.152 160 T CB -0.394 68.472 68.868 -0.004 0.000 0.864 160 T HN 0.161 nan 8.240 nan 0.000 0.419 161 S N 1.671 117.327 115.700 -0.074 0.000 2.382 161 S HA -0.028 4.442 4.470 0.000 0.000 0.228 161 S C 1.656 176.130 174.600 -0.210 0.000 1.027 161 S CA 0.973 59.037 58.200 -0.227 0.000 0.991 161 S CB -0.674 62.264 63.200 -0.436 0.000 0.823 161 S HN 0.405 nan 8.310 nan 0.000 0.469 162 F N 0.836 120.826 119.950 0.066 0.000 2.743 162 F HA 0.257 4.784 4.527 0.000 0.000 0.297 162 F C 0.962 176.851 175.800 0.150 0.000 1.131 162 F CA 0.039 58.091 58.000 0.086 0.000 1.426 162 F CB -0.834 38.213 39.000 0.079 0.000 1.116 162 F HN 0.304 nan 8.300 nan 0.000 0.583 163 H N 0.477 119.646 119.070 0.165 0.000 2.861 163 H HA -0.134 4.422 4.556 0.000 0.000 0.319 163 H C -0.380 175.015 175.328 0.112 0.000 0.994 163 H CA 0.304 56.414 56.048 0.104 0.000 1.032 163 H CB -0.874 28.927 29.762 0.064 0.000 1.615 163 H HN 0.246 nan 8.280 nan 0.000 0.357 164 S N 1.821 117.646 115.700 0.208 0.000 2.712 164 S HA 0.099 4.569 4.470 0.000 0.000 0.279 164 S C -1.473 173.205 174.600 0.131 0.000 1.025 164 S CA -0.529 57.725 58.200 0.090 0.000 0.861 164 S CB 1.054 64.287 63.200 0.055 0.000 1.091 164 S HN 0.566 nan 8.310 nan 0.000 0.457 165 E N 2.457 122.706 120.200 0.082 0.000 2.313 165 E HA 0.316 4.666 4.350 0.000 0.000 0.276 165 E C 0.834 177.522 176.600 0.146 0.000 1.031 165 E CA -0.550 55.923 56.400 0.120 0.000 0.857 165 E CB 0.508 30.250 29.700 0.069 0.000 1.040 165 E HN 0.555 nan 8.360 nan 0.000 0.408 166 F N 3.764 123.776 119.950 0.103 0.000 2.053 166 F HA -0.394 4.133 4.527 0.001 0.000 0.295 166 F C 1.913 177.760 175.800 0.080 0.000 1.102 166 F CA 2.387 60.474 58.000 0.145 0.000 1.225 166 F CB -0.010 39.124 39.000 0.224 0.000 0.961 166 F HN 0.585 nan 8.300 nan 0.000 0.495 167 E N -0.324 119.727 120.200 -0.248 0.000 2.136 167 E HA -0.345 4.005 4.350 0.000 0.000 0.208 167 E C 2.009 178.406 176.600 -0.338 0.000 1.035 167 E CA 1.651 57.836 56.400 -0.358 0.000 0.838 167 E CB -0.897 28.732 29.700 -0.118 0.000 0.748 167 E HN 0.589 nan 8.360 nan 0.000 0.459 168 E N 1.025 121.094 120.200 -0.219 0.000 2.204 168 E HA -0.141 4.210 4.350 0.000 0.000 0.194 168 E C 2.251 178.678 176.600 -0.287 0.000 0.989 168 E CA 0.905 57.184 56.400 -0.202 0.000 0.824 168 E CB 0.012 29.636 29.700 -0.128 0.000 0.756 168 E HN 0.565 nan 8.360 nan 0.000 0.477 169 I N -2.033 118.319 120.570 -0.363 0.000 2.429 169 I HA -0.027 4.143 4.170 0.000 0.000 0.247 169 I C 2.151 177.815 176.117 -0.754 0.000 1.099 169 I CA 0.739 61.724 61.300 -0.527 0.000 1.422 169 I CB -0.650 37.066 38.000 -0.474 0.000 1.112 169 I HN -0.141 nan 8.210 nan 0.000 0.430 170 N N 2.023 120.284 118.700 -0.733 0.000 2.588 170 N HA -0.226 4.514 4.740 0.000 0.000 0.190 170 N C 1.991 177.298 175.510 -0.339 0.000 1.094 170 N CA 1.124 53.876 53.050 -0.496 0.000 0.921 170 N CB 0.045 38.069 38.487 -0.770 0.000 0.959 170 N HN 0.566 nan 8.380 nan 0.000 0.448 171 R N -0.667 119.609 120.500 -0.373 0.000 2.250 171 R HA 0.106 4.446 4.340 0.000 0.000 0.194 171 R C 1.377 177.537 176.300 -0.233 0.000 0.927 171 R CA 0.345 56.303 56.100 -0.237 0.000 1.052 171 R CB 0.133 30.311 30.300 -0.202 0.000 1.055 171 R HN -0.039 nan 8.270 nan 0.000 0.537 172 V N 0.660 120.384 119.914 -0.317 0.000 3.125 172 V HA 0.104 4.224 4.120 0.000 0.000 0.249 172 V C 1.815 177.714 176.094 -0.324 0.000 1.113 172 V CA 0.702 62.836 62.300 -0.276 0.000 1.106 172 V CB 0.311 31.975 31.823 -0.266 0.000 0.768 172 V HN 0.259 nan 8.190 nan 0.000 0.468 173 L N -2.018 118.878 121.223 -0.546 0.000 2.577 173 L HA 0.354 4.695 4.340 0.000 0.000 0.225 173 L C 0.650 177.331 176.870 -0.314 0.000 1.053 173 L CA 0.498 54.996 54.840 -0.570 0.000 0.866 173 L CB 0.238 41.742 42.059 -0.926 0.000 1.132 173 L HN 0.242 nan 8.230 nan 0.000 0.486 184 E N 2.368 122.570 120.200 0.003 0.000 2.608 184 E HA 0.081 4.432 4.350 0.000 0.000 0.259 184 E C 1.078 177.698 176.600 0.033 0.000 0.951 184 E CA 0.814 57.226 56.400 0.020 0.000 0.945 184 E CB 0.269 29.982 29.700 0.022 0.000 0.916 184 E HN 0.868 nan 8.360 nan 0.000 0.477 185 G N 2.321 111.171 108.800 0.084 0.000 3.107 185 G HA2 -0.382 3.579 3.960 0.000 0.000 0.960 185 G HA3 -0.382 3.579 3.960 0.000 0.000 0.960 185 G C 1.059 175.888 174.900 -0.119 0.000 1.029 185 G CA 1.312 46.482 45.100 0.117 0.000 0.787 185 G HN 0.782 nan 8.290 nan 0.000 1.039 186 V N -1.713 118.012 119.914 -0.314 0.000 3.660 186 V HA 0.481 4.601 4.120 0.000 0.000 0.276 186 V C 0.929 176.890 176.094 -0.221 0.000 1.317 186 V CA 0.551 62.530 62.300 -0.535 0.000 1.097 186 V CB -0.118 30.953 31.823 -1.252 0.000 0.863 186 V HN 0.510 nan 8.190 nan 0.000 0.438 187 I N 3.321 123.878 120.570 -0.022 0.000 2.390 187 I HA 0.634 4.804 4.170 0.000 0.000 0.283 187 I C -0.558 175.592 176.117 0.056 0.000 1.016 187 I CA -0.769 60.570 61.300 0.066 0.000 1.151 187 I CB 1.418 39.508 38.000 0.150 0.000 1.293 187 I HN 0.121 nan 8.210 nan 0.000 0.458 188 V N 2.448 122.385 119.914 0.037 0.000 2.823 188 V HA 0.545 4.665 4.120 0.000 0.000 0.312 188 V C -0.335 175.777 176.094 0.029 0.000 1.072 188 V CA -0.693 61.622 62.300 0.025 0.000 0.937 188 V CB 2.197 34.021 31.823 0.002 0.000 1.013 188 V HN 0.878 nan 8.190 nan 0.000 0.430 189 E N 2.811 123.025 120.200 0.023 0.000 2.338 189 E HA 0.353 4.703 4.350 0.000 0.000 0.272 189 E C -0.703 175.905 176.600 0.012 0.000 1.029 189 E CA -0.573 55.840 56.400 0.022 0.000 0.872 189 E CB 1.382 31.092 29.700 0.016 0.000 1.015 189 E HN 0.699 nan 8.360 nan 0.000 0.417 190 L N 2.834 124.065 121.223 0.014 0.000 2.822 190 L HA 0.411 4.751 4.340 0.000 0.000 0.153 190 L C 0.062 176.932 176.870 0.001 0.000 1.695 190 L CA -0.031 54.812 54.840 0.004 0.000 2.336 190 L CB 0.451 42.516 42.059 0.010 0.000 2.854 190 L HN 0.582 nan 8.230 nan 0.000 0.610 191 S N -1.883 113.816 115.700 -0.002 0.000 2.543 191 S HA 0.283 4.753 4.470 0.000 0.000 0.271 191 S C 0.402 174.998 174.600 -0.007 0.000 1.148 191 S CA -0.721 57.475 58.200 -0.005 0.000 0.914 191 S CB 1.100 64.296 63.200 -0.007 0.000 1.096 191 S HN 0.427 nan 8.310 nan 0.000 0.471 192 K N 1.897 122.289 120.400 -0.013 0.000 2.137 192 K HA -0.227 4.093 4.320 0.000 0.000 0.216 192 K C 1.408 178.002 176.600 -0.011 0.000 1.052 192 K CA 1.912 58.188 56.287 -0.018 0.000 0.939 192 K CB -0.267 32.218 32.500 -0.025 0.000 0.724 192 K HN 0.600 nan 8.250 nan 0.000 0.465 193 E N 1.077 121.272 120.200 -0.009 0.000 2.028 193 E HA -0.149 4.201 4.350 0.000 0.000 0.191 193 E C 2.191 178.790 176.600 -0.003 0.000 0.988 193 E CA 1.151 57.548 56.400 -0.006 0.000 0.799 193 E CB -0.100 29.596 29.700 -0.006 0.000 0.755 193 E HN 0.391 nan 8.360 nan 0.000 0.447 194 Q N 0.301 120.099 119.800 -0.004 0.000 2.014 194 Q HA -0.174 4.166 4.340 0.000 0.000 0.207 194 Q C 2.459 178.462 176.000 0.005 0.000 0.993 194 Q CA 1.493 57.294 55.803 -0.004 0.000 0.850 194 Q CB -0.262 28.471 28.738 -0.009 0.000 0.916 194 Q HN 0.303 nan 8.270 nan 0.000 0.417 195 I N 0.552 121.126 120.570 0.007 0.000 2.044 195 I HA -0.407 3.763 4.170 0.000 0.000 0.234 195 I C 2.720 178.848 176.117 0.019 0.000 1.031 195 I CA 1.910 63.221 61.300 0.018 0.000 1.305 195 I CB -0.617 37.389 38.000 0.010 0.000 1.026 195 I HN 0.304 nan 8.210 nan 0.000 0.392 196 R N 0.630 121.135 120.500 0.008 0.000 2.165 196 R HA -0.324 4.016 4.340 0.000 0.000 0.254 196 R C 2.284 178.594 176.300 0.015 0.000 1.153 196 R CA 2.307 58.413 56.100 0.009 0.000 0.971 196 R CB -0.285 30.015 30.300 0.002 0.000 0.878 196 R HN 0.344 nan 8.270 nan 0.000 0.449 197 Q N 0.617 120.426 119.800 0.014 0.000 1.956 197 Q HA -0.111 4.230 4.340 0.000 0.000 0.208 197 Q C 1.817 177.834 176.000 0.029 0.000 0.998 197 Q CA 2.120 57.933 55.803 0.017 0.000 0.855 197 Q CB -0.296 28.448 28.738 0.010 0.000 0.928 197 Q HN 0.533 nan 8.270 nan 0.000 0.418 198 L N 0.385 121.632 121.223 0.040 0.000 2.821 198 L HA 0.059 4.399 4.340 0.000 0.000 0.254 198 L C 1.560 178.476 176.870 0.076 0.000 1.151 198 L CA 0.676 55.559 54.840 0.072 0.000 0.937 198 L CB -0.856 41.261 42.059 0.096 0.000 1.141 198 L HN 0.173 nan 8.230 nan 0.000 0.425 199 S N -0.056 115.673 115.700 0.048 0.000 2.748 199 S HA -0.018 4.452 4.470 0.000 0.000 0.241 199 S C 1.983 176.599 174.600 0.026 0.000 1.064 199 S CA -0.136 58.088 58.200 0.040 0.000 0.892 199 S CB -0.008 63.212 63.200 0.034 0.000 0.810 199 S HN 0.320 nan 8.310 nan 0.000 0.555 200 R N 1.578 122.091 120.500 0.022 0.000 2.153 200 R HA -0.066 4.274 4.340 0.000 0.000 0.252 200 R C 2.581 178.887 176.300 0.010 0.000 1.158 200 R CA 1.951 58.061 56.100 0.017 0.000 0.975 200 R CB -0.296 30.014 30.300 0.016 0.000 0.871 200 R HN 0.461 nan 8.270 nan 0.000 0.450 201 R N 0.289 120.792 120.500 0.005 0.000 2.117 201 R HA -0.088 4.252 4.340 0.000 0.000 0.243 201 R C 0.877 177.155 176.300 -0.037 0.000 1.143 201 R CA 0.946 57.037 56.100 -0.014 0.000 0.968 201 R CB -0.909 29.382 30.300 -0.015 0.000 0.863 201 R HN 0.202 nan 8.270 nan 0.000 0.444 202 A N 2.602 125.403 122.820 -0.031 0.000 2.580 202 A HA -0.055 4.265 4.320 0.000 0.000 0.244 202 A C 0.680 178.257 177.584 -0.012 0.000 1.045 202 A CA 0.395 52.407 52.037 -0.042 0.000 0.761 202 A CB -0.007 18.990 19.000 -0.005 0.000 0.962 202 A HN 0.290 nan 8.150 nan 0.000 0.512 203 K N 1.347 121.735 120.400 -0.020 0.000 2.976 203 K HA 0.527 4.847 4.320 0.000 0.000 0.335 203 K C 0.120 176.809 176.600 0.149 0.000 0.990 203 K CA 0.500 56.834 56.287 0.079 0.000 1.231 203 K CB 0.267 32.850 32.500 0.138 0.000 1.331 203 K HN 1.270 nan 8.250 nan 0.000 0.556 204 S N -0.637 115.187 115.700 0.208 0.000 2.658 204 S HA 0.151 4.621 4.470 0.000 0.000 0.312 204 S C -0.867 173.843 174.600 0.183 0.000 1.006 204 S CA -0.630 57.684 58.200 0.190 0.000 0.855 204 S CB 0.170 63.492 63.200 0.203 0.000 1.053 204 S HN 0.757 nan 8.310 nan 0.000 0.455 205 S N 2.860 118.658 115.700 0.163 0.000 2.549 205 S HA 0.626 5.097 4.470 0.000 0.000 0.278 205 S C 0.384 175.063 174.600 0.133 0.000 1.344 205 S CA 0.532 58.811 58.200 0.132 0.000 1.025 205 S CB -0.058 63.208 63.200 0.110 0.000 0.851 205 S HN 1.771 nan 8.310 nan 0.000 0.530 206 S N 1.150 116.913 115.700 0.105 0.000 2.757 206 S HA 0.468 4.938 4.470 0.000 0.000 0.285 206 S C 0.262 174.904 174.600 0.070 0.000 1.196 206 S CA -1.263 56.984 58.200 0.078 0.000 0.856 206 S CB 0.875 64.122 63.200 0.078 0.000 1.212 206 S HN 0.716 nan 8.310 nan 0.000 0.516 207 R N 0.701 121.234 120.500 0.054 0.000 2.323 207 R HA 0.156 4.497 4.340 0.000 0.000 0.198 207 R C 0.094 176.429 176.300 0.058 0.000 0.988 207 R CA 0.591 56.723 56.100 0.053 0.000 1.041 207 R CB -0.237 30.087 30.300 0.041 0.000 0.926 207 R HN 0.380 nan 8.270 nan 0.000 0.476 208 K N 0.217 120.655 120.400 0.062 0.000 2.826 208 K HA 0.071 4.391 4.320 0.000 0.000 0.206 208 K C 0.511 177.149 176.600 0.064 0.000 1.116 208 K CA 0.137 56.459 56.287 0.058 0.000 1.045 208 K CB 1.481 34.011 32.500 0.050 0.000 0.758 208 K HN 0.041 nan 8.250 nan 0.000 0.465 209 T N -2.747 111.856 114.554 0.082 0.000 3.091 209 T HA 0.163 4.513 4.350 0.000 0.000 0.277 209 T C 1.556 176.313 174.700 0.096 0.000 0.996 209 T CA -0.285 61.869 62.100 0.090 0.000 0.897 209 T CB 0.028 68.964 68.868 0.113 0.000 1.109 209 T HN -0.101 nan 8.240 nan 0.000 0.534 210 I N 2.897 123.519 120.570 0.087 0.000 2.127 210 I HA -0.129 4.041 4.170 0.000 0.000 0.241 210 I C 2.834 178.923 176.117 -0.048 0.000 1.075 210 I CA 2.001 63.335 61.300 0.056 0.000 1.334 210 I CB -1.273 36.764 38.000 0.062 0.000 1.040 210 I HN 0.549 nan 8.210 nan 0.000 0.405 211 S N -0.355 115.332 115.700 -0.022 0.000 2.406 211 S HA -0.020 4.450 4.470 0.000 0.000 0.224 211 S C 1.393 175.968 174.600 -0.042 0.000 1.030 211 S CA 0.321 58.496 58.200 -0.042 0.000 0.958 211 S CB -0.388 62.803 63.200 -0.016 0.000 0.811 211 S HN 0.357 nan 8.310 nan 0.000 0.489 212 S N 2.358 118.050 115.700 -0.013 0.000 2.702 212 S HA -0.083 4.387 4.470 0.000 0.000 0.314 212 S C 0.770 175.351 174.600 -0.032 0.000 1.244 212 S CA 0.421 58.619 58.200 -0.004 0.000 1.058 212 S CB 0.088 63.302 63.200 0.024 0.000 0.783 212 S HN 0.737 nan 8.310 nan 0.000 0.503 213 E N 2.602 122.785 120.200 -0.028 0.000 2.359 213 E HA 0.101 4.451 4.350 0.000 0.000 0.187 213 E C 0.356 176.939 176.600 -0.028 0.000 1.081 213 E CA 0.650 57.025 56.400 -0.042 0.000 0.929 213 E CB 0.089 29.768 29.700 -0.034 0.000 1.086 213 E HN 0.799 nan 8.360 nan 0.000 0.462 214 D N -1.562 118.828 120.400 -0.018 0.000 2.119 214 D HA 0.011 4.652 4.640 0.000 0.000 0.311 214 D C 0.139 176.385 176.300 -0.089 0.000 1.155 214 D CA -0.330 53.660 54.000 -0.016 0.000 1.036 214 D CB -0.411 40.416 40.800 0.044 0.000 1.855 214 D HN 0.047 nan 8.370 nan 0.000 0.523 215 E N 1.778 121.951 120.200 -0.045 0.000 2.458 215 E HA 0.202 4.552 4.350 0.000 0.000 0.264 215 E C -2.203 174.335 176.600 -0.104 0.000 1.097 215 E CA -0.898 55.446 56.400 -0.092 0.000 0.973 215 E CB 0.457 30.183 29.700 0.042 0.000 0.963 215 E HN 0.215 nan 8.360 nan 0.000 0.451 216 P HA 0.141 nan 4.420 nan 0.000 0.284 216 P C -1.184 176.208 177.300 0.153 0.000 1.253 216 P CA -0.221 62.856 63.100 -0.037 0.000 0.800 216 P CB 0.394 32.003 31.700 -0.151 0.000 0.961 217 F N -0.137 119.809 119.950 -0.007 0.000 2.546 217 F HA 0.623 5.151 4.527 0.000 0.000 0.320 217 F C -0.643 175.196 175.800 0.066 0.000 1.076 217 F CA -1.468 56.552 58.000 0.034 0.000 0.928 217 F CB 1.185 40.209 39.000 0.040 0.000 1.189 217 F HN 0.120 nan 8.300 nan 0.000 0.465 218 N N 3.008 121.717 118.700 0.016 0.000 2.372 218 N HA 0.228 4.968 4.740 0.000 0.000 0.291 218 N C 0.351 175.882 175.510 0.035 0.000 1.024 218 N CA -0.473 52.540 53.050 -0.063 0.000 0.873 218 N CB 1.987 40.451 38.487 -0.039 0.000 1.206 218 N HN 0.979 nan 8.380 nan 0.000 0.486 219 L N 4.986 126.225 121.223 0.027 0.000 2.095 219 L HA 0.165 4.505 4.340 0.000 0.000 0.204 219 L C 1.118 177.957 176.870 -0.053 0.000 1.080 219 L CA 1.475 56.376 54.840 0.102 0.000 0.759 219 L CB -0.166 41.975 42.059 0.137 0.000 0.914 219 L HN 0.463 nan 8.230 nan 0.000 0.439 220 R N 0.210 120.532 120.500 -0.297 0.000 4.160 220 R HA 0.045 4.385 4.340 0.000 0.000 0.216 220 R C 1.268 177.348 176.300 -0.366 0.000 2.009 220 R CA 0.605 56.226 56.100 -0.798 0.000 1.664 220 R CB -0.565 29.291 30.300 -0.740 0.000 1.216 220 R HN 0.638 nan 8.270 nan 0.000 0.648 221 S N 0.552 116.202 115.700 -0.084 0.000 2.931 221 S HA -0.002 4.468 4.470 0.000 0.000 0.251 221 S C 0.735 175.416 174.600 0.135 0.000 1.078 221 S CA -0.578 57.637 58.200 0.025 0.000 0.835 221 S CB 0.304 63.525 63.200 0.035 0.000 0.798 221 S HN 0.433 nan 8.310 nan 0.000 0.495 222 R N 2.379 122.990 120.500 0.184 0.000 2.539 222 R HA 0.404 4.744 4.340 0.000 0.000 0.275 222 R C -0.577 175.888 176.300 0.276 0.000 1.077 222 R CA -0.444 55.772 56.100 0.194 0.000 1.097 222 R CB -0.303 30.096 30.300 0.164 0.000 1.018 222 R HN 0.170 nan 8.270 nan 0.000 0.483 223 N N 3.462 122.267 118.700 0.175 0.000 2.225 223 N HA -0.006 4.734 4.740 0.000 0.000 0.257 223 N C -2.107 173.431 175.510 0.046 0.000 1.252 223 N CA -0.485 52.635 53.050 0.117 0.000 0.833 223 N CB -0.123 38.402 38.487 0.063 0.000 1.068 223 N HN 0.589 nan 8.380 nan 0.000 0.468 224 P HA 0.107 nan 4.420 nan 0.000 0.280 224 P C 1.256 178.435 177.300 -0.201 0.000 1.244 224 P CA -0.439 62.388 63.100 -0.455 0.000 0.784 224 P CB 0.717 31.651 31.700 -1.276 0.000 0.913 225 I N 0.871 121.338 120.570 -0.172 0.000 2.069 225 I HA -0.202 3.969 4.170 0.000 0.000 0.237 225 I C 0.291 176.396 176.117 -0.020 0.000 1.053 225 I CA 1.525 62.742 61.300 -0.137 0.000 1.311 225 I CB -1.272 36.530 38.000 -0.331 0.000 1.030 225 I HN 0.094 nan 8.210 nan 0.000 0.398 226 Y N 3.169 123.306 120.300 -0.271 0.000 2.594 226 Y HA 0.541 5.091 4.550 0.000 0.000 0.342 226 Y C 0.321 176.280 175.900 0.098 0.000 1.010 226 Y CA -2.239 55.656 58.100 -0.342 0.000 1.270 226 Y CB -0.069 37.878 38.460 -0.856 0.000 1.125 226 Y HN 0.200 nan 8.280 nan 0.000 0.513 227 S N 4.089 119.930 115.700 0.235 0.000 2.478 227 S HA 0.702 5.172 4.470 0.000 0.000 0.312 227 S C -0.755 173.977 174.600 0.221 0.000 1.094 227 S CA -0.727 57.574 58.200 0.169 0.000 1.081 227 S CB 1.481 64.686 63.200 0.010 0.000 1.007 227 S HN 0.808 nan 8.310 nan 0.000 0.475 228 N N 2.483 121.319 118.700 0.227 0.000 2.431 228 N HA 0.136 4.876 4.740 0.000 0.000 0.275 228 N C -0.042 175.546 175.510 0.131 0.000 1.091 228 N CA -0.595 52.587 53.050 0.221 0.000 0.922 228 N CB 1.055 39.753 38.487 0.351 0.000 1.666 228 N HN 0.649 nan 8.380 nan 0.000 0.484 229 N N 0.889 119.605 118.700 0.026 0.000 2.403 229 N HA -0.219 4.521 4.740 0.000 0.000 0.203 229 N C 0.009 175.288 175.510 -0.385 0.000 0.983 229 N CA 2.180 55.103 53.050 -0.211 0.000 0.931 229 N CB -0.268 38.000 38.487 -0.365 0.000 0.975 229 N HN 0.498 nan 8.380 nan 0.000 0.470 230 F N -1.379 118.538 119.950 -0.055 0.000 2.653 230 F HA 0.431 4.958 4.527 0.000 0.000 0.304 230 F C 1.109 176.745 175.800 -0.273 0.000 1.092 230 F CA 0.087 58.034 58.000 -0.087 0.000 1.279 230 F CB 1.009 40.010 39.000 0.001 0.000 1.044 230 F HN -0.005 nan 8.300 nan 0.000 0.564 231 G N 0.150 108.756 108.800 -0.322 0.000 2.321 231 G HA2 0.412 4.372 3.960 0.000 0.000 0.298 231 G HA3 0.412 4.372 3.960 0.000 0.000 0.298 231 G C -1.969 172.399 174.900 -0.887 0.000 1.385 231 G CA -1.105 43.487 45.100 -0.846 0.000 0.856 231 G HN -0.058 nan 8.290 nan 0.000 0.584 232 K N -0.911 119.052 120.400 -0.727 0.000 2.502 232 K HA 0.671 4.991 4.320 0.000 0.000 0.257 232 K C -1.931 174.698 176.600 0.049 0.000 0.938 232 K CA -0.727 55.433 56.287 -0.212 0.000 0.819 232 K CB 2.589 34.959 32.500 -0.216 0.000 1.333 232 K HN 0.358 nan 8.250 nan 0.000 0.434 233 F N 3.327 123.292 119.950 0.026 0.000 2.434 233 F HA 0.462 4.989 4.527 0.000 0.000 0.355 233 F C -1.415 174.210 175.800 -0.293 0.000 1.115 233 F CA -0.842 57.136 58.000 -0.038 0.000 1.010 233 F CB 0.443 39.376 39.000 -0.111 0.000 1.234 233 F HN 0.359 nan 8.300 nan 0.000 0.439 234 F N 4.305 124.278 119.950 0.039 0.000 2.404 234 F HA 0.474 5.001 4.527 0.000 0.000 0.339 234 F C 0.096 175.966 175.800 0.117 0.000 1.105 234 F CA -0.221 57.819 58.000 0.067 0.000 1.087 234 F CB 1.308 40.314 39.000 0.009 0.000 1.143 234 F HN 0.435 nan 8.300 nan 0.000 0.491 235 E N 4.297 124.700 120.200 0.338 0.000 2.378 235 E HA 0.391 4.741 4.350 0.000 0.000 0.283 235 E C -2.173 174.554 176.600 0.211 0.000 0.979 235 E CA -0.612 55.950 56.400 0.269 0.000 0.795 235 E CB 2.295 32.118 29.700 0.206 0.000 1.221 235 E HN 0.538 nan 8.360 nan 0.000 0.428 236 I N 2.849 123.564 120.570 0.242 0.000 2.730 236 I HA 0.447 4.617 4.170 0.000 0.000 0.298 236 I C -0.588 175.654 176.117 0.209 0.000 1.089 236 I CA -0.278 61.148 61.300 0.210 0.000 1.041 236 I CB 2.246 40.412 38.000 0.277 0.000 1.235 236 I HN 0.823 nan 8.210 nan 0.000 0.423 237 T N 2.555 117.188 114.554 0.132 0.000 2.930 237 T HA 0.494 4.844 4.350 0.000 0.000 0.290 237 T C -2.314 172.437 174.700 0.085 0.000 1.052 237 T CA -1.816 60.364 62.100 0.134 0.000 1.017 237 T CB 1.810 70.718 68.868 0.067 0.000 1.137 237 T HN 0.249 nan 8.240 nan 0.000 0.511 238 P HA -0.202 nan 4.420 nan 0.000 0.218 238 P C 1.423 178.733 177.300 0.016 0.000 1.152 238 P CA 1.313 64.443 63.100 0.049 0.000 0.857 238 P CB 0.046 31.787 31.700 0.069 0.000 0.787 239 E N -0.427 119.787 120.200 0.023 0.000 2.347 239 E HA -0.116 4.235 4.350 0.000 0.000 0.196 239 E C 1.695 178.295 176.600 0.000 0.000 1.008 239 E CA 0.901 57.307 56.400 0.010 0.000 0.852 239 E CB -0.422 29.287 29.700 0.015 0.000 0.783 239 E HN 0.324 nan 8.360 nan 0.000 0.505 240 K N 0.566 120.966 120.400 0.001 0.000 2.067 240 K HA 0.017 4.337 4.320 0.000 0.000 0.203 240 K C 0.946 177.516 176.600 -0.050 0.000 1.048 240 K CA 0.553 56.837 56.287 -0.007 0.000 0.954 240 K CB 0.241 32.753 32.500 0.021 0.000 0.737 240 K HN -0.014 nan 8.250 nan 0.000 0.444 241 N N -0.176 118.461 118.700 -0.104 0.000 2.346 241 N HA 0.124 4.864 4.740 0.000 0.000 0.289 241 N C -2.443 172.957 175.510 -0.183 0.000 1.027 241 N CA -1.907 51.016 53.050 -0.212 0.000 0.864 241 N CB 2.005 40.204 38.487 -0.480 0.000 1.370 241 N HN -0.210 nan 8.380 nan 0.000 0.481 242 P HA -0.175 nan 4.420 nan 0.000 0.218 242 P C 0.959 178.197 177.300 -0.104 0.000 1.148 242 P CA 1.345 64.386 63.100 -0.099 0.000 0.822 242 P CB 0.622 32.277 31.700 -0.076 0.000 0.784 243 Q N -0.927 118.779 119.800 -0.157 0.000 2.084 243 Q HA -0.125 4.216 4.340 0.000 0.000 0.202 243 Q C 2.120 178.076 176.000 -0.074 0.000 0.978 243 Q CA 1.062 56.799 55.803 -0.109 0.000 0.844 243 Q CB -0.502 28.166 28.738 -0.118 0.000 0.898 243 Q HN 0.148 nan 8.270 nan 0.000 0.426 244 L N 0.203 121.359 121.223 -0.110 0.000 2.201 244 L HA -0.122 4.218 4.340 0.000 0.000 0.212 244 L C 2.219 179.086 176.870 -0.005 0.000 1.105 244 L CA 1.472 56.297 54.840 -0.025 0.000 0.775 244 L CB -0.716 41.337 42.059 -0.011 0.000 0.913 244 L HN 0.095 nan 8.230 nan 0.000 0.440 245 R N 0.101 120.584 120.500 -0.028 0.000 2.070 245 R HA -0.136 4.204 4.340 0.000 0.000 0.233 245 R C 1.920 178.216 176.300 -0.007 0.000 1.137 245 R CA 1.517 57.610 56.100 -0.011 0.000 0.945 245 R CB -0.255 30.031 30.300 -0.024 0.000 0.845 245 R HN 0.292 nan 8.270 nan 0.000 0.430 246 D N -0.109 120.280 120.400 -0.018 0.000 2.221 246 D HA -0.148 4.492 4.640 0.000 0.000 0.204 246 D C 1.618 177.913 176.300 -0.010 0.000 0.982 246 D CA 1.290 55.279 54.000 -0.018 0.000 0.857 246 D CB 0.112 40.895 40.800 -0.028 0.000 0.934 246 D HN 0.302 nan 8.370 nan 0.000 0.475 247 L N -0.307 120.916 121.223 0.001 0.000 2.463 247 L HA 0.074 4.414 4.340 0.000 0.000 0.219 247 L C 0.118 177.011 176.870 0.037 0.000 1.088 247 L CA -0.072 54.778 54.840 0.017 0.000 0.849 247 L CB 0.081 42.152 42.059 0.021 0.000 1.012 247 L HN -0.181 nan 8.230 nan 0.000 0.468 248 D N 1.011 121.431 120.400 0.034 0.000 3.187 248 D HA -0.186 4.454 4.640 0.000 0.000 0.244 248 D C -0.716 175.615 176.300 0.052 0.000 1.114 248 D CA 0.568 54.598 54.000 0.049 0.000 0.920 248 D CB -0.727 40.101 40.800 0.047 0.000 0.970 248 D HN 0.178 nan 8.370 nan 0.000 0.418 249 I N 1.526 122.133 120.570 0.062 0.000 2.841 249 I HA 0.495 4.665 4.170 0.000 0.000 0.298 249 I C -0.097 176.093 176.117 0.121 0.000 1.304 249 I CA -1.240 60.076 61.300 0.026 0.000 1.019 249 I CB 1.685 39.679 38.000 -0.011 0.000 1.282 249 I HN 0.109 nan 8.210 nan 0.000 0.432 250 F N 4.573 124.584 119.950 0.102 0.000 2.556 250 F HA 0.902 5.429 4.527 0.000 0.000 0.327 250 F C -1.729 174.158 175.800 0.145 0.000 1.059 250 F CA -0.905 57.164 58.000 0.116 0.000 0.953 250 F CB 1.288 40.348 39.000 0.100 0.000 1.227 250 F HN 0.127 nan 8.300 nan 0.000 0.478 251 L N 2.186 123.678 121.223 0.448 0.000 2.370 251 L HA 0.724 5.064 4.340 0.000 0.000 0.266 251 L C -0.928 176.134 176.870 0.321 0.000 1.002 251 L CA -0.743 54.218 54.840 0.202 0.000 0.818 251 L CB 2.526 44.626 42.059 0.068 0.000 1.325 251 L HN 0.878 nan 8.230 nan 0.000 0.418 252 S N -0.164 115.625 115.700 0.149 0.000 2.575 252 S HA 0.560 5.030 4.470 0.000 0.000 0.278 252 S C -0.878 173.679 174.600 -0.073 0.000 1.139 252 S CA -0.732 57.553 58.200 0.141 0.000 0.954 252 S CB 1.790 65.171 63.200 0.302 0.000 1.054 252 S HN 0.430 nan 8.310 nan 0.000 0.483 253 S N 2.112 117.793 115.700 -0.033 0.000 2.438 253 S HA 0.608 5.079 4.470 0.000 0.000 0.316 253 S C -0.316 174.208 174.600 -0.127 0.000 1.084 253 S CA -0.589 57.578 58.200 -0.056 0.000 1.107 253 S CB 0.167 63.389 63.200 0.036 0.000 0.981 253 S HN 1.372 nan 8.310 nan 0.000 0.466 254 V N 2.543 122.207 119.914 -0.417 0.000 2.384 254 V HA 0.670 4.790 4.120 0.000 0.000 0.287 254 V C -0.937 174.940 176.094 -0.361 0.000 1.020 254 V CA -0.789 61.200 62.300 -0.518 0.000 0.850 254 V CB 1.601 32.850 31.823 -0.957 0.000 0.987 254 V HN 0.655 nan 8.190 nan 0.000 0.436 255 D N 5.911 126.194 120.400 -0.196 0.000 2.233 255 D HA 0.598 5.238 4.640 0.000 0.000 0.240 255 D C -0.402 175.733 176.300 -0.275 0.000 1.074 255 D CA 0.135 54.037 54.000 -0.164 0.000 0.838 255 D CB 2.226 42.986 40.800 -0.067 0.000 1.124 255 D HN 0.625 nan 8.370 nan 0.000 0.475 256 I N 2.182 122.640 120.570 -0.187 0.000 2.468 256 I HA 0.139 4.309 4.170 0.000 0.000 0.284 256 I C 0.046 176.121 176.117 -0.069 0.000 1.038 256 I CA -0.675 60.520 61.300 -0.175 0.000 1.083 256 I CB 1.504 39.489 38.000 -0.026 0.000 1.223 256 I HN 0.046 nan 8.210 nan 0.000 0.443 257 N N 5.700 124.357 118.700 -0.072 0.000 2.454 257 N HA 0.005 4.745 4.740 0.000 0.000 0.254 257 N C 0.127 175.656 175.510 0.031 0.000 1.228 257 N CA -0.234 52.804 53.050 -0.020 0.000 0.900 257 N CB 0.869 39.339 38.487 -0.029 0.000 1.089 257 N HN 0.594 nan 8.380 nan 0.000 0.449 258 E N 1.106 121.324 120.200 0.029 0.000 2.529 258 E HA -0.106 4.244 4.350 0.000 0.000 0.259 258 E C 0.950 177.588 176.600 0.063 0.000 0.966 258 E CA 0.752 57.178 56.400 0.043 0.000 0.937 258 E CB 0.085 29.803 29.700 0.031 0.000 0.923 258 E HN 0.801 nan 8.360 nan 0.000 0.468 259 G N 3.092 111.933 108.800 0.069 0.000 2.490 259 G HA2 -0.316 3.644 3.960 0.000 0.000 0.214 259 G HA3 -0.316 3.644 3.960 0.000 0.000 0.214 259 G C 0.501 175.455 174.900 0.091 0.000 1.151 259 G CA 0.188 45.335 45.100 0.077 0.000 0.684 259 G HN 1.029 nan 8.290 nan 0.000 0.518 260 A N 0.269 123.168 122.820 0.132 0.000 2.407 260 A HA 0.682 5.002 4.320 0.000 0.000 0.257 260 A C 0.284 177.937 177.584 0.116 0.000 1.131 260 A CA 1.428 53.550 52.037 0.141 0.000 0.803 260 A CB 0.285 19.413 19.000 0.212 0.000 1.083 260 A HN 2.180 nan 8.150 nan 0.000 0.512 261 L N -0.942 120.363 121.223 0.137 0.000 2.545 261 L HA 0.613 4.953 4.340 0.000 0.000 0.258 261 L C -1.538 175.456 176.870 0.206 0.000 0.942 261 L CA -0.962 53.967 54.840 0.148 0.000 0.855 261 L CB 1.636 43.731 42.059 0.059 0.000 1.374 261 L HN 0.665 nan 8.230 nan 0.000 0.411 262 L N 4.454 125.809 121.223 0.219 0.000 2.325 262 L HA 0.416 4.756 4.340 0.000 0.000 0.284 262 L C -0.333 176.501 176.870 -0.061 0.000 1.089 262 L CA 0.153 55.062 54.840 0.114 0.000 0.836 262 L CB 0.509 42.694 42.059 0.210 0.000 1.184 262 L HN 0.613 nan 8.230 nan 0.000 0.444 263 L N 7.493 128.619 121.223 -0.161 0.000 2.543 263 L HA 0.074 4.414 4.340 0.000 0.000 0.285 263 L C -1.736 175.100 176.870 -0.057 0.000 1.236 263 L CA -1.411 53.349 54.840 -0.132 0.000 0.871 263 L CB 0.089 41.990 42.059 -0.264 0.000 1.121 263 L HN 0.523 nan 8.230 nan 0.000 0.501 264 P HA 0.015 nan 4.420 nan 0.000 0.262 264 P C -0.998 176.338 177.300 0.061 0.000 1.182 264 P CA 0.606 63.704 63.100 -0.002 0.000 0.761 264 P CB 0.424 32.138 31.700 0.023 0.000 0.795 265 H N 1.095 120.009 119.070 -0.260 0.000 2.902 265 H HA 0.670 5.227 4.556 0.000 0.000 0.297 265 H C -1.365 173.786 175.328 -0.296 0.000 1.406 265 H CA -1.363 54.388 56.048 -0.494 0.000 1.134 265 H CB 0.223 29.362 29.762 -1.038 0.000 1.833 265 H HN 0.383 nan 8.280 nan 0.000 0.527 266 F N -0.851 118.892 119.950 -0.347 0.000 2.668 266 F HA 0.570 5.097 4.527 0.000 0.000 0.309 266 F C -1.274 174.399 175.800 -0.213 0.000 1.117 266 F CA -1.216 56.666 58.000 -0.197 0.000 0.951 266 F CB 1.647 40.653 39.000 0.010 0.000 1.323 266 F HN 0.351 nan 8.300 nan 0.000 0.451 267 N N 1.396 120.267 118.700 0.285 0.000 2.455 267 N HA 0.113 4.853 4.740 0.000 0.000 0.280 267 N C 0.829 176.491 175.510 0.253 0.000 1.055 267 N CA 0.341 53.507 53.050 0.192 0.000 0.961 267 N CB 1.948 40.544 38.487 0.181 0.000 1.121 267 N HN 0.911 nan 8.380 nan 0.000 0.476 268 S N 3.324 119.150 115.700 0.209 0.000 2.359 268 S HA -0.207 4.263 4.470 0.000 0.000 0.223 268 S C 1.100 175.754 174.600 0.090 0.000 1.039 268 S CA 1.654 59.952 58.200 0.164 0.000 1.042 268 S CB 0.062 63.335 63.200 0.121 0.000 0.915 268 S HN 0.812 nan 8.310 nan 0.000 0.439 269 K N -0.799 119.654 120.400 0.088 0.000 2.588 269 K HA 0.537 4.858 4.320 0.000 0.000 0.216 269 K C 0.164 176.805 176.600 0.068 0.000 1.382 269 K CA 0.212 56.538 56.287 0.064 0.000 1.008 269 K CB 0.345 32.877 32.500 0.054 0.000 1.138 269 K HN 0.322 nan 8.250 nan 0.000 0.619 270 A N 2.258 125.147 122.820 0.116 0.000 2.362 270 A HA 0.491 4.811 4.320 0.000 0.000 0.276 270 A C -0.163 177.459 177.584 0.064 0.000 1.153 270 A CA -0.598 51.521 52.037 0.136 0.000 0.813 270 A CB -0.152 19.055 19.000 0.345 0.000 1.081 270 A HN 0.329 nan 8.150 nan 0.000 0.507 271 I N 3.051 123.596 120.570 -0.041 0.000 2.396 271 I HA 0.177 4.347 4.170 0.000 0.000 0.289 271 I C -0.138 175.874 176.117 -0.176 0.000 1.056 271 I CA -0.063 61.157 61.300 -0.134 0.000 1.365 271 I CB 1.149 39.034 38.000 -0.193 0.000 1.407 271 I HN 0.286 nan 8.210 nan 0.000 0.509 272 V N 8.198 128.010 119.914 -0.170 0.000 2.472 272 V HA 0.424 4.544 4.120 0.000 0.000 0.290 272 V C 0.068 176.031 176.094 -0.219 0.000 1.037 272 V CA -0.467 61.733 62.300 -0.167 0.000 0.908 272 V CB 1.827 33.625 31.823 -0.042 0.000 0.985 272 V HN 0.445 nan 8.190 nan 0.000 0.454 273 I N 6.516 126.988 120.570 -0.165 0.000 2.389 273 I HA 0.481 4.651 4.170 0.000 0.000 0.288 273 I C -0.527 175.566 176.117 -0.040 0.000 0.999 273 I CA -0.534 60.705 61.300 -0.102 0.000 1.129 273 I CB 1.552 39.553 38.000 0.001 0.000 1.288 273 I HN 0.499 nan 8.210 nan 0.000 0.444 274 L N 6.941 128.141 121.223 -0.039 0.000 2.346 274 L HA 0.932 5.272 4.340 0.000 0.000 0.274 274 L C -0.727 176.144 176.870 0.002 0.000 1.007 274 L CA -0.701 54.087 54.840 -0.087 0.000 0.818 274 L CB 2.035 43.875 42.059 -0.366 0.000 1.284 274 L HN 0.366 nan 8.230 nan 0.000 0.424 275 V N 1.536 121.473 119.914 0.039 0.000 2.419 275 V HA 0.469 4.589 4.120 0.000 0.000 0.287 275 V C 0.107 176.306 176.094 0.175 0.000 1.017 275 V CA -0.698 61.676 62.300 0.122 0.000 0.844 275 V CB 1.031 32.941 31.823 0.144 0.000 1.011 275 V HN 0.721 nan 8.190 nan 0.000 0.429 276 I N 4.106 124.776 120.570 0.167 0.000 2.769 276 I HA -0.033 4.137 4.170 0.000 0.000 0.285 276 I C 1.710 177.938 176.117 0.184 0.000 1.173 276 I CA 0.808 62.239 61.300 0.218 0.000 1.389 276 I CB -0.594 37.506 38.000 0.165 0.000 1.404 276 I HN 1.005 nan 8.210 nan 0.000 0.544 277 N N 4.934 123.751 118.700 0.194 0.000 2.250 277 N HA -0.091 4.650 4.740 0.000 0.000 0.181 277 N C 0.406 175.979 175.510 0.105 0.000 1.017 277 N CA 0.611 53.747 53.050 0.143 0.000 0.866 277 N CB 0.711 39.281 38.487 0.139 0.000 0.985 277 N HN 0.742 nan 8.380 nan 0.000 0.429 278 E N -1.041 119.222 120.200 0.106 0.000 2.380 278 E HA 0.483 4.833 4.350 0.000 0.000 0.281 278 E C -0.623 176.026 176.600 0.082 0.000 0.999 278 E CA 0.077 56.522 56.400 0.075 0.000 0.800 278 E CB 1.442 31.172 29.700 0.050 0.000 1.228 278 E HN 0.329 nan 8.360 nan 0.000 0.436 279 G N 2.150 110.989 108.800 0.066 0.000 2.660 279 G HA2 0.040 4.000 3.960 0.000 0.000 0.247 279 G HA3 0.040 4.000 3.960 0.000 0.000 0.247 279 G C -1.243 173.702 174.900 0.074 0.000 1.328 279 G CA -0.218 44.920 45.100 0.065 0.000 0.884 279 G HN 0.684 nan 8.290 nan 0.000 0.531 280 D N -0.312 120.130 120.400 0.070 0.000 2.547 280 D HA 0.923 5.563 4.640 0.000 0.000 0.231 280 D C 0.454 176.798 176.300 0.074 0.000 1.099 280 D CA 0.897 54.935 54.000 0.064 0.000 0.901 280 D CB 1.827 42.653 40.800 0.042 0.000 1.478 280 D HN 1.410 nan 8.370 nan 0.000 0.471 281 A N 1.098 123.953 122.820 0.059 0.000 2.536 281 A HA 0.731 5.051 4.320 0.000 0.000 0.293 281 A C -1.512 176.076 177.584 0.006 0.000 1.119 281 A CA -0.713 51.362 52.037 0.064 0.000 0.654 281 A CB 1.159 20.239 19.000 0.133 0.000 1.291 281 A HN 0.477 nan 8.150 nan 0.000 0.439 282 N N -1.108 117.599 118.700 0.012 0.000 2.240 282 N HA 0.802 5.543 4.740 0.000 0.000 0.302 282 N C -1.534 173.954 175.510 -0.037 0.000 1.106 282 N CA -0.225 52.801 53.050 -0.040 0.000 0.778 282 N CB 1.984 40.462 38.487 -0.015 0.000 1.431 282 N HN 0.615 nan 8.380 nan 0.000 0.479 283 I N 0.520 121.019 120.570 -0.118 0.000 2.656 283 I HA 0.295 4.466 4.170 0.000 0.000 0.292 283 I C -1.166 174.942 176.117 -0.015 0.000 1.144 283 I CA -0.369 60.881 61.300 -0.083 0.000 1.038 283 I CB 1.734 39.515 38.000 -0.365 0.000 1.244 283 I HN 0.390 nan 8.210 nan 0.000 0.420 284 E N 6.663 126.938 120.200 0.125 0.000 2.210 284 E HA 0.517 4.867 4.350 0.000 0.000 0.266 284 E C -1.534 175.228 176.600 0.271 0.000 0.883 284 E CA -0.749 55.741 56.400 0.151 0.000 0.761 284 E CB 2.711 32.473 29.700 0.103 0.000 1.156 284 E HN 0.332 nan 8.360 nan 0.000 0.412 285 L N 3.738 125.126 121.223 0.274 0.000 2.385 285 L HA 0.477 4.817 4.340 0.000 0.000 0.273 285 L C -1.141 175.824 176.870 0.159 0.000 0.990 285 L CA -0.802 54.231 54.840 0.322 0.000 0.821 285 L CB 2.009 44.326 42.059 0.430 0.000 1.279 285 L HN 0.366 nan 8.230 nan 0.000 0.412 286 V N 4.747 124.734 119.914 0.123 0.000 2.325 286 V HA 0.826 4.947 4.120 0.000 0.000 0.280 286 V C -0.134 175.905 176.094 -0.090 0.000 1.016 286 V CA -0.006 62.283 62.300 -0.018 0.000 0.818 286 V CB 1.233 33.056 31.823 0.001 0.000 1.019 286 V HN 0.841 nan 8.190 nan 0.000 0.434 287 G N 6.248 114.974 108.800 -0.123 0.000 2.453 287 G HA2 0.635 4.595 3.960 0.000 0.000 0.323 287 G HA3 0.635 4.595 3.960 0.000 0.000 0.323 287 G C -0.747 174.066 174.900 -0.144 0.000 1.198 287 G CA -0.958 44.006 45.100 -0.227 0.000 0.959 287 G HN 0.564 nan 8.290 nan 0.000 0.482 288 I N 1.068 121.537 120.570 -0.168 0.000 2.754 288 I HA 0.150 4.320 4.170 0.000 0.000 0.285 288 I C 0.852 176.975 176.117 0.010 0.000 1.166 288 I CA -0.913 60.341 61.300 -0.076 0.000 1.417 288 I CB 0.958 38.911 38.000 -0.078 0.000 1.382 288 I HN 0.213 nan 8.210 nan 0.000 0.588 289 K N 5.553 125.958 120.400 0.008 0.000 2.382 289 K HA 0.058 4.378 4.320 0.000 0.000 0.275 289 K C 0.296 176.930 176.600 0.057 0.000 1.009 289 K CA -0.109 56.204 56.287 0.043 0.000 0.970 289 K CB 0.556 33.068 32.500 0.021 0.000 0.934 289 K HN 0.492 nan 8.250 nan 0.000 0.479 303 E N 2.251 122.447 120.200 -0.007 0.000 2.256 303 E HA 0.695 5.045 4.350 0.000 0.000 0.267 303 E C -1.227 175.360 176.600 -0.023 0.000 0.892 303 E CA -0.864 55.529 56.400 -0.011 0.000 0.775 303 E CB 3.090 32.787 29.700 -0.005 0.000 1.207 303 E HN 0.248 nan 8.360 nan 0.000 0.420 304 V N 1.682 121.577 119.914 -0.032 0.000 2.997 304 V HA 0.343 4.463 4.120 0.000 0.000 0.311 304 V C -0.433 175.615 176.094 -0.077 0.000 1.066 304 V CA -0.248 62.019 62.300 -0.055 0.000 1.039 304 V CB 1.779 33.571 31.823 -0.051 0.000 1.081 304 V HN 0.665 nan 8.190 nan 0.000 0.467 305 Q N 1.938 121.658 119.800 -0.134 0.000 2.340 305 Q HA 0.507 4.847 4.340 0.000 0.000 0.276 305 Q C -0.980 174.780 176.000 -0.399 0.000 1.048 305 Q CA -0.581 55.085 55.803 -0.227 0.000 0.832 305 Q CB 1.902 30.509 28.738 -0.219 0.000 1.373 305 Q HN 0.700 nan 8.270 nan 0.000 0.409 306 R N 1.982 122.250 120.500 -0.386 0.000 2.758 306 R HA 0.615 4.955 4.340 0.000 0.000 0.265 306 R C -1.391 174.609 176.300 -0.499 0.000 1.016 306 R CA -0.488 55.397 56.100 -0.360 0.000 1.040 306 R CB 1.028 31.260 30.300 -0.114 0.000 1.152 306 R HN 0.720 nan 8.270 nan 0.000 0.503 307 Y N 0.896 121.286 120.300 0.150 0.000 2.330 307 Y HA 0.413 4.964 4.550 0.000 0.000 0.324 307 Y C -0.136 175.868 175.900 0.174 0.000 1.093 307 Y CA -0.762 57.462 58.100 0.207 0.000 1.103 307 Y CB 1.563 40.218 38.460 0.325 0.000 1.183 307 Y HN 0.543 nan 8.280 nan 0.000 0.433 308 R N 1.871 122.506 120.500 0.224 0.000 2.888 308 R HA 1.009 5.349 4.340 0.000 0.000 0.264 308 R C -1.642 174.611 176.300 -0.080 0.000 1.045 308 R CA -0.912 55.215 56.100 0.045 0.000 0.962 308 R CB 2.140 32.447 30.300 0.010 0.000 1.210 308 R HN 0.817 nan 8.270 nan 0.000 0.479 309 A N 1.604 124.270 122.820 -0.257 0.000 2.581 309 A HA 0.328 4.648 4.320 0.000 0.000 0.294 309 A C -1.769 175.572 177.584 -0.405 0.000 1.035 309 A CA -0.783 50.990 52.037 -0.439 0.000 0.684 309 A CB 1.414 19.903 19.000 -0.852 0.000 1.282 309 A HN 0.721 nan 8.150 nan 0.000 0.417 310 E N 0.334 120.328 120.200 -0.344 0.000 2.331 310 E HA 0.585 4.935 4.350 0.000 0.000 0.272 310 E C -0.907 175.565 176.600 -0.213 0.000 1.036 310 E CA -0.060 56.219 56.400 -0.201 0.000 0.864 310 E CB 1.093 30.726 29.700 -0.112 0.000 1.035 310 E HN 0.469 nan 8.360 nan 0.000 0.408 311 L N 2.662 123.828 121.223 -0.095 0.000 2.319 311 L HA 0.374 4.715 4.340 0.000 0.000 0.281 311 L C -0.141 176.765 176.870 0.060 0.000 1.005 311 L CA -0.493 54.352 54.840 0.008 0.000 0.828 311 L CB 1.564 43.619 42.059 -0.005 0.000 1.227 311 L HN 0.575 nan 8.230 nan 0.000 0.415 312 S N 1.330 117.089 115.700 0.098 0.000 2.414 312 S HA 0.255 4.725 4.470 0.000 0.000 0.267 312 S C -0.181 174.467 174.600 0.081 0.000 1.165 312 S CA -0.629 57.617 58.200 0.076 0.000 1.028 312 S CB 0.867 64.107 63.200 0.067 0.000 1.154 312 S HN 0.605 nan 8.310 nan 0.000 0.472 313 E N 0.229 120.463 120.200 0.058 0.000 2.249 313 E HA 0.212 4.562 4.350 0.000 0.000 0.280 313 E C -0.940 175.676 176.600 0.027 0.000 1.016 313 E CA -0.085 56.348 56.400 0.054 0.000 0.830 313 E CB 0.355 30.079 29.700 0.041 0.000 1.081 313 E HN 0.500 nan 8.360 nan 0.000 0.395 314 D N 1.688 122.114 120.400 0.044 0.000 2.911 314 D HA -0.161 4.479 4.640 0.000 0.000 0.199 314 D C -0.854 175.421 176.300 -0.042 0.000 1.041 314 D CA 1.163 55.162 54.000 -0.002 0.000 1.013 314 D CB -0.701 40.034 40.800 -0.108 0.000 1.093 314 D HN 0.573 nan 8.370 nan 0.000 0.431 315 D N 0.145 120.565 120.400 0.033 0.000 2.362 315 D HA 0.280 4.920 4.640 0.000 0.000 0.242 315 D C 0.460 176.862 176.300 0.170 0.000 1.132 315 D CA 0.124 54.169 54.000 0.075 0.000 0.907 315 D CB 1.619 42.555 40.800 0.227 0.000 1.195 315 D HN -0.121 nan 8.370 nan 0.000 0.429 316 V N 2.562 122.613 119.914 0.229 0.000 2.407 316 V HA 0.284 4.404 4.120 0.000 0.000 0.291 316 V C -0.543 175.823 176.094 0.454 0.000 1.018 316 V CA -0.780 61.713 62.300 0.321 0.000 0.842 316 V CB 1.112 33.146 31.823 0.350 0.000 0.996 316 V HN 0.379 nan 8.190 nan 0.000 0.426 317 F N 4.641 124.702 119.950 0.185 0.000 2.480 317 F HA 0.771 5.299 4.527 0.000 0.000 0.329 317 F C -0.211 175.639 175.800 0.084 0.000 1.091 317 F CA -0.745 57.364 58.000 0.182 0.000 0.972 317 F CB 2.003 41.060 39.000 0.095 0.000 1.150 317 F HN 0.368 nan 8.300 nan 0.000 0.467 318 V N 7.654 127.310 119.914 -0.429 0.000 2.444 318 V HA 0.563 4.683 4.120 0.000 0.000 0.294 318 V C -0.953 174.814 176.094 -0.546 0.000 1.022 318 V CA -0.476 61.606 62.300 -0.364 0.000 0.850 318 V CB 1.319 32.975 31.823 -0.280 0.000 0.992 318 V HN 0.647 nan 8.190 nan 0.000 0.426 319 I N 9.170 129.455 120.570 -0.476 0.000 2.312 319 I HA 0.481 4.651 4.170 0.000 0.000 0.290 319 I C -1.919 173.938 176.117 -0.434 0.000 1.008 319 I CA -1.968 59.016 61.300 -0.527 0.000 1.226 319 I CB 1.356 38.933 38.000 -0.704 0.000 1.371 319 I HN 0.469 nan 8.210 nan 0.000 0.468 320 P HA 0.012 nan 4.420 nan 0.000 0.287 320 P C -0.657 176.460 177.300 -0.304 0.000 1.282 320 P CA -0.258 62.498 63.100 -0.572 0.000 0.804 320 P CB 0.426 31.331 31.700 -1.325 0.000 1.323 321 A N -0.845 121.846 122.820 -0.215 0.000 2.303 321 A HA 0.581 4.901 4.320 0.000 0.000 0.320 321 A C 0.377 178.039 177.584 0.129 0.000 1.192 321 A CA 0.069 52.100 52.037 -0.009 0.000 0.821 321 A CB -0.105 18.888 19.000 -0.012 0.000 1.188 321 A HN 0.673 nan 8.150 nan 0.000 0.492 322 A N 0.859 123.731 122.820 0.088 0.000 2.887 322 A HA -0.179 4.141 4.320 0.000 0.000 0.257 322 A C -0.421 177.137 177.584 -0.042 0.000 1.372 322 A CA 1.223 53.171 52.037 -0.148 0.000 0.879 322 A CB -2.627 16.237 19.000 -0.226 0.000 1.082 322 A HN 1.212 nan 8.150 nan 0.000 0.703 323 Y N -0.253 120.012 120.300 -0.059 0.000 2.342 323 Y HA 0.499 5.049 4.550 0.000 0.000 0.338 323 Y C -2.207 173.812 175.900 0.199 0.000 0.965 323 Y CA -2.636 55.468 58.100 0.008 0.000 1.159 323 Y CB 0.997 39.425 38.460 -0.054 0.000 1.157 323 Y HN 0.156 nan 8.280 nan 0.000 0.486 324 P HA 0.167 nan 4.420 nan 0.000 0.271 324 P C -0.916 176.655 177.300 0.450 0.000 1.216 324 P CA 0.140 63.486 63.100 0.410 0.000 0.771 324 P CB 0.347 32.232 31.700 0.309 0.000 0.864 325 F N 1.600 121.712 119.950 0.270 0.000 2.643 325 F HA 0.818 5.346 4.527 0.000 0.000 0.314 325 F C -1.852 174.123 175.800 0.293 0.000 1.096 325 F CA -1.547 56.610 58.000 0.261 0.000 0.953 325 F CB 0.981 40.147 39.000 0.276 0.000 1.345 325 F HN 0.213 nan 8.300 nan 0.000 0.468 326 V N 1.690 121.740 119.914 0.227 0.000 2.925 326 V HA 0.799 4.919 4.120 0.000 0.000 0.311 326 V C -1.777 174.454 176.094 0.228 0.000 1.104 326 V CA -0.761 61.593 62.300 0.091 0.000 0.954 326 V CB 2.353 34.216 31.823 0.066 0.000 1.022 326 V HN 0.851 nan 8.190 nan 0.000 0.427 327 V N 6.253 126.301 119.914 0.223 0.000 2.380 327 V HA 0.449 4.569 4.120 0.000 0.000 0.286 327 V C -0.107 176.115 176.094 0.214 0.000 1.015 327 V CA -0.582 61.883 62.300 0.275 0.000 0.834 327 V CB 1.461 33.569 31.823 0.474 0.000 1.009 327 V HN 0.884 nan 8.190 nan 0.000 0.428 328 N N 3.756 122.541 118.700 0.142 0.000 2.437 328 N HA 0.529 5.270 4.740 0.000 0.000 0.259 328 N C -0.081 175.493 175.510 0.106 0.000 0.983 328 N CA -0.463 52.653 53.050 0.109 0.000 0.937 328 N CB 1.464 39.990 38.487 0.064 0.000 1.122 328 N HN 0.773 nan 8.380 nan 0.000 0.499 329 A N 3.157 126.048 122.820 0.118 0.000 2.437 329 A HA 0.130 4.450 4.320 0.000 0.000 0.303 329 A C 1.281 178.907 177.584 0.071 0.000 1.324 329 A CA -0.480 51.619 52.037 0.103 0.000 0.983 329 A CB -0.236 18.827 19.000 0.106 0.000 1.142 329 A HN 0.797 nan 8.150 nan 0.000 0.541 330 T N -0.575 114.013 114.554 0.057 0.000 3.215 330 T HA 0.278 4.628 4.350 0.000 0.000 0.254 330 T C 0.372 175.095 174.700 0.038 0.000 1.149 330 T CA 0.500 62.624 62.100 0.040 0.000 1.042 330 T CB -0.979 67.906 68.868 0.028 0.000 0.966 330 T HN 1.630 nan 8.240 nan 0.000 0.534 331 S N -0.203 115.524 115.700 0.044 0.000 2.709 331 S HA 0.196 4.666 4.470 0.000 0.000 0.305 331 S C -1.021 173.603 174.600 0.040 0.000 0.974 331 S CA -1.140 57.082 58.200 0.037 0.000 0.837 331 S CB -0.245 62.974 63.200 0.032 0.000 1.032 331 S HN 0.281 nan 8.310 nan 0.000 0.461 332 N N 1.099 119.816 118.700 0.029 0.000 1.792 332 N HA -0.089 4.651 4.740 0.000 0.000 0.321 332 N C -0.591 174.939 175.510 0.033 0.000 1.314 332 N CA 1.117 54.180 53.050 0.021 0.000 0.814 332 N CB -0.123 38.369 38.487 0.008 0.000 1.073 332 N HN 0.720 nan 8.380 nan 0.000 0.503 333 L N 3.087 124.332 121.223 0.037 0.000 2.371 333 L HA 0.601 4.941 4.340 0.000 0.000 0.262 333 L C -1.025 175.863 176.870 0.029 0.000 1.006 333 L CA -0.840 54.039 54.840 0.064 0.000 0.818 333 L CB 2.295 44.428 42.059 0.123 0.000 1.354 333 L HN 0.557 nan 8.230 nan 0.000 0.415 334 N N 2.314 121.044 118.700 0.051 0.000 2.406 334 N HA 0.619 5.359 4.740 0.000 0.000 0.283 334 N C -1.737 173.826 175.510 0.088 0.000 1.074 334 N CA -0.572 52.464 53.050 -0.024 0.000 0.916 334 N CB 1.455 39.932 38.487 -0.017 0.000 1.639 334 N HN 0.628 nan 8.380 nan 0.000 0.485 335 F N 1.513 121.490 119.950 0.044 0.000 2.599 335 F HA 0.724 5.251 4.527 0.000 0.000 0.311 335 F C -1.615 174.179 175.800 -0.010 0.000 1.076 335 F CA -1.337 56.687 58.000 0.040 0.000 0.937 335 F CB 1.147 40.188 39.000 0.068 0.000 1.282 335 F HN 0.410 nan 8.300 nan 0.000 0.460 336 L N 2.803 124.193 121.223 0.279 0.000 2.344 336 L HA 0.985 5.325 4.340 0.000 0.000 0.272 336 L C -1.011 175.867 176.870 0.012 0.000 1.035 336 L CA -0.504 54.338 54.840 0.002 0.000 0.807 336 L CB 1.701 43.635 42.059 -0.209 0.000 1.237 336 L HN 1.034 nan 8.230 nan 0.000 0.442 337 A N 3.666 126.400 122.820 -0.144 0.000 2.398 337 A HA 0.666 4.986 4.320 0.000 0.000 0.301 337 A C -1.428 175.944 177.584 -0.352 0.000 1.041 337 A CA -0.382 51.581 52.037 -0.124 0.000 0.711 337 A CB 0.673 19.810 19.000 0.228 0.000 1.240 337 A HN 0.653 nan 8.150 nan 0.000 0.420 338 F N 1.686 121.508 119.950 -0.213 0.000 2.391 338 F HA 0.490 5.017 4.527 0.000 0.000 0.359 338 F C 1.224 176.658 175.800 -0.610 0.000 1.122 338 F CA -0.282 57.493 58.000 -0.376 0.000 1.120 338 F CB 2.051 40.897 39.000 -0.257 0.000 1.142 338 F HN 0.692 nan 8.300 nan 0.000 0.483 339 G N 6.358 114.577 108.800 -0.968 0.000 2.571 339 G HA2 0.408 4.368 3.960 0.000 0.000 0.327 339 G HA3 0.408 4.368 3.960 0.000 0.000 0.327 339 G C -0.159 174.439 174.900 -0.503 0.000 1.008 339 G CA -0.484 43.892 45.100 -1.207 0.000 1.136 339 G HN 0.429 nan 8.290 nan 0.000 0.444 340 I N 1.951 122.324 120.570 -0.328 0.000 2.575 340 I HA 0.110 4.280 4.170 0.000 0.000 0.285 340 I C 0.936 176.998 176.117 -0.091 0.000 1.085 340 I CA -0.142 61.011 61.300 -0.245 0.000 1.403 340 I CB 0.730 38.489 38.000 -0.401 0.000 1.409 340 I HN 0.611 nan 8.210 nan 0.000 0.557 341 N N 3.865 122.555 118.700 -0.017 0.000 2.771 341 N HA -0.177 4.563 4.740 0.000 0.000 0.249 341 N C 0.454 176.018 175.510 0.090 0.000 1.069 341 N CA 0.730 53.801 53.050 0.034 0.000 0.688 341 N CB -0.236 38.260 38.487 0.015 0.000 0.928 341 N HN 0.832 nan 8.380 nan 0.000 0.551 342 A N 0.121 123.023 122.820 0.137 0.000 2.267 342 A HA 0.079 4.399 4.320 0.000 0.000 0.213 342 A C 0.839 178.525 177.584 0.170 0.000 1.192 342 A CA 0.130 52.322 52.037 0.257 0.000 0.851 342 A CB 0.181 19.481 19.000 0.500 0.000 0.881 342 A HN 0.485 nan 8.150 nan 0.000 0.494 343 E N 0.709 120.974 120.200 0.108 0.000 2.452 343 E HA -0.025 4.326 4.350 0.000 0.000 0.261 343 E C -0.266 176.370 176.600 0.060 0.000 0.987 343 E CA 0.257 56.702 56.400 0.074 0.000 0.926 343 E CB -0.034 29.698 29.700 0.052 0.000 0.934 343 E HN 0.553 nan 8.360 nan 0.000 0.452 344 N N 1.635 120.361 118.700 0.043 0.000 2.681 344 N HA -0.268 4.473 4.740 0.000 0.000 0.250 344 N C -0.005 175.524 175.510 0.031 0.000 1.133 344 N CA 0.441 53.509 53.050 0.031 0.000 0.732 344 N CB -0.860 37.645 38.487 0.029 0.000 1.107 344 N HN 0.529 nan 8.380 nan 0.000 0.559 345 N N 1.069 119.791 118.700 0.036 0.000 2.479 345 N HA 0.081 4.822 4.740 0.000 0.000 0.257 345 N C -0.520 174.985 175.510 -0.008 0.000 1.232 345 N CA 0.606 53.676 53.050 0.034 0.000 0.920 345 N CB 0.613 39.135 38.487 0.059 0.000 1.105 345 N HN 0.183 nan 8.380 nan 0.000 0.444 346 Q N 1.565 121.370 119.800 0.009 0.000 2.304 346 Q HA 0.276 4.616 4.340 0.000 0.000 0.270 346 Q C -1.150 174.830 176.000 -0.034 0.000 1.035 346 Q CA -0.558 55.237 55.803 -0.012 0.000 0.781 346 Q CB 1.862 30.611 28.738 0.017 0.000 1.261 346 Q HN 0.491 nan 8.270 nan 0.000 0.444 347 R N 2.816 123.252 120.500 -0.107 0.000 2.202 347 R HA 0.354 4.694 4.340 0.000 0.000 0.334 347 R C -1.019 175.073 176.300 -0.347 0.000 1.036 347 R CA -0.321 55.639 56.100 -0.234 0.000 0.878 347 R CB 0.432 30.591 30.300 -0.235 0.000 1.067 347 R HN 0.534 nan 8.270 nan 0.000 0.457 348 N N 4.489 122.866 118.700 -0.537 0.000 2.437 348 N HA 0.180 4.921 4.740 0.000 0.000 0.259 348 N C -1.303 173.763 175.510 -0.740 0.000 0.983 348 N CA -0.174 52.496 53.050 -0.634 0.000 0.937 348 N CB 0.849 38.838 38.487 -0.830 0.000 1.122 348 N HN 0.340 nan 8.380 nan 0.000 0.499 349 F N 1.797 121.580 119.950 -0.278 0.000 2.411 349 F HA 0.264 4.792 4.527 0.000 0.000 0.355 349 F C 1.719 177.381 175.800 -0.229 0.000 1.117 349 F CA -0.573 57.292 58.000 -0.225 0.000 1.139 349 F CB 0.984 39.848 39.000 -0.227 0.000 1.120 349 F HN 0.370 nan 8.300 nan 0.000 0.493 350 L N 2.574 123.787 121.223 -0.018 0.000 2.240 350 L HA 0.149 4.489 4.340 0.000 0.000 0.211 350 L C 1.003 177.860 176.870 -0.021 0.000 1.106 350 L CA 0.445 55.271 54.840 -0.024 0.000 0.793 350 L CB -0.258 41.802 42.059 0.003 0.000 0.927 350 L HN 0.635 nan 8.230 nan 0.000 0.446 351 A N -0.987 121.818 122.820 -0.025 0.000 2.384 351 A HA 0.720 5.040 4.320 0.000 0.000 0.312 351 A C 0.108 177.593 177.584 -0.165 0.000 1.113 351 A CA 0.151 52.135 52.037 -0.089 0.000 0.779 351 A CB 1.429 20.374 19.000 -0.092 0.000 1.307 351 A HN 0.258 nan 8.150 nan 0.000 0.436 352 G N -0.130 108.555 108.800 -0.191 0.000 2.500 352 G HA2 -0.035 3.925 3.960 0.000 0.000 0.209 352 G HA3 -0.035 3.925 3.960 0.000 0.000 0.209 352 G C 0.360 175.112 174.900 -0.247 0.000 1.283 352 G CA 0.539 45.478 45.100 -0.268 0.000 0.960 352 G HN 1.082 nan 8.290 nan 0.000 0.528 353 E N -0.097 119.918 120.200 -0.309 0.000 2.134 353 E HA 0.197 4.547 4.350 0.000 0.000 0.194 353 E C 0.902 177.336 176.600 -0.277 0.000 0.937 353 E CA 0.172 56.422 56.400 -0.251 0.000 0.874 353 E CB 0.175 29.740 29.700 -0.224 0.000 0.853 353 E HN 0.428 nan 8.360 nan 0.000 0.471 354 K N 1.472 121.616 120.400 -0.426 0.000 2.298 354 K HA 0.046 4.366 4.320 0.000 0.000 0.280 354 K C -0.859 175.544 176.600 -0.329 0.000 1.032 354 K CA 0.510 56.560 56.287 -0.396 0.000 0.958 354 K CB 0.766 32.935 32.500 -0.551 0.000 0.978 354 K HN 0.123 nan 8.250 nan 0.000 0.472 355 D N 0.597 120.922 120.400 -0.126 0.000 3.012 355 D HA -0.211 4.429 4.640 0.000 0.000 0.222 355 D C -0.589 175.706 176.300 -0.008 0.000 1.167 355 D CA 0.783 54.778 54.000 -0.009 0.000 0.854 355 D CB -1.207 39.687 40.800 0.158 0.000 1.107 355 D HN 0.522 nan 8.370 nan 0.000 0.421 356 N N 0.654 119.315 118.700 -0.065 0.000 2.430 356 N HA 0.165 4.906 4.740 0.000 0.000 0.265 356 N C 0.991 176.480 175.510 -0.034 0.000 1.100 356 N CA -0.010 53.008 53.050 -0.053 0.000 0.961 356 N CB 1.677 40.114 38.487 -0.083 0.000 1.075 356 N HN 0.018 nan 8.380 nan 0.000 0.478 357 V N 4.810 124.704 119.914 -0.033 0.000 2.273 357 V HA -0.138 3.982 4.120 0.000 0.000 0.242 357 V C 2.199 178.311 176.094 0.030 0.000 1.035 357 V CA 1.564 63.859 62.300 -0.009 0.000 1.013 357 V CB -0.324 31.485 31.823 -0.023 0.000 0.652 357 V HN 0.605 nan 8.190 nan 0.000 0.452 358 V N 1.339 121.286 119.914 0.055 0.000 2.453 358 V HA -0.289 3.831 4.120 0.000 0.000 0.252 358 V C 2.551 178.696 176.094 0.084 0.000 1.068 358 V CA 2.801 65.168 62.300 0.113 0.000 1.070 358 V CB -0.857 31.065 31.823 0.164 0.000 0.664 358 V HN 0.687 nan 8.190 nan 0.000 0.461 359 R N -0.868 119.652 120.500 0.034 0.000 2.328 359 R HA -0.061 4.279 4.340 0.000 0.000 0.207 359 R C 1.786 178.092 176.300 0.011 0.000 1.056 359 R CA 1.188 57.296 56.100 0.014 0.000 1.016 359 R CB -0.054 30.232 30.300 -0.023 0.000 0.872 359 R HN 0.591 nan 8.270 nan 0.000 0.471 360 Q N 0.152 119.961 119.800 0.016 0.000 2.319 360 Q HA 0.168 4.508 4.340 0.000 0.000 0.209 360 Q C 0.185 176.194 176.000 0.015 0.000 0.884 360 Q CA 0.097 55.906 55.803 0.010 0.000 0.938 360 Q CB 0.806 29.548 28.738 0.007 0.000 1.098 360 Q HN 0.373 nan 8.270 nan 0.000 0.517 361 I N 2.887 123.473 120.570 0.026 0.000 2.436 361 I HA 0.007 4.178 4.170 0.000 0.000 0.289 361 I C 0.425 176.547 176.117 0.009 0.000 1.083 361 I CA -0.082 61.227 61.300 0.015 0.000 1.372 361 I CB 0.135 38.144 38.000 0.014 0.000 1.408 361 I HN -0.078 nan 8.210 nan 0.000 0.516 362 E N 5.573 125.771 120.200 -0.002 0.000 2.760 362 E HA -0.169 4.181 4.350 0.000 0.000 0.268 362 E C 0.927 177.525 176.600 -0.003 0.000 0.935 362 E CA 0.298 56.695 56.400 -0.004 0.000 0.960 362 E CB 0.560 30.254 29.700 -0.010 0.000 0.931 362 E HN 0.496 nan 8.360 nan 0.000 0.483 363 R N 2.222 122.725 120.500 0.004 0.000 2.096 363 R HA -0.242 4.098 4.340 0.000 0.000 0.240 363 R C 2.112 178.413 176.300 0.002 0.000 1.139 363 R CA 1.565 57.672 56.100 0.011 0.000 0.952 363 R CB -0.154 30.152 30.300 0.010 0.000 0.854 363 R HN 0.415 nan 8.270 nan 0.000 0.436 364 Q N -0.254 119.541 119.800 -0.007 0.000 2.297 364 Q HA -0.087 4.253 4.340 0.000 0.000 0.208 364 Q C 1.688 177.670 176.000 -0.029 0.000 0.981 364 Q CA 1.084 56.878 55.803 -0.014 0.000 0.876 364 Q CB 0.230 28.960 28.738 -0.014 0.000 0.921 364 Q HN 0.167 nan 8.270 nan 0.000 0.446 365 V N -0.695 119.194 119.914 -0.041 0.000 2.685 365 V HA -0.125 3.995 4.120 0.000 0.000 0.244 365 V C 1.819 177.835 176.094 -0.130 0.000 1.054 365 V CA 1.021 63.273 62.300 -0.078 0.000 1.076 365 V CB -0.189 31.589 31.823 -0.075 0.000 0.725 365 V HN 0.340 nan 8.190 nan 0.000 0.467 366 Q N 0.077 119.828 119.800 -0.082 0.000 2.181 366 Q HA -0.305 4.035 4.340 0.000 0.000 0.205 366 Q C 2.131 178.108 176.000 -0.038 0.000 0.980 366 Q CA 2.057 57.819 55.803 -0.069 0.000 0.862 366 Q CB -0.114 28.700 28.738 0.127 0.000 0.905 366 Q HN 0.750 nan 8.270 nan 0.000 0.429 367 E N 0.360 120.552 120.200 -0.014 0.000 2.023 367 E HA -0.219 4.131 4.350 0.000 0.000 0.196 367 E C 1.788 178.371 176.600 -0.029 0.000 1.003 367 E CA 1.000 57.404 56.400 0.005 0.000 0.809 367 E CB 0.082 29.781 29.700 -0.003 0.000 0.755 367 E HN 0.160 nan 8.360 nan 0.000 0.449 368 L N 0.693 121.872 121.223 -0.074 0.000 2.005 368 L HA -0.051 4.289 4.340 0.000 0.000 0.207 368 L C 2.627 179.407 176.870 -0.150 0.000 1.072 368 L CA 1.820 56.608 54.840 -0.087 0.000 0.744 368 L CB -1.835 40.173 42.059 -0.084 0.000 0.895 368 L HN 0.315 nan 8.230 nan 0.000 0.433 369 A N -0.186 122.458 122.820 -0.294 0.000 1.881 369 A HA -0.220 4.100 4.320 0.000 0.000 0.219 369 A C 0.960 178.254 177.584 -0.483 0.000 1.215 369 A CA 1.462 53.183 52.037 -0.527 0.000 0.648 369 A CB -0.880 17.537 19.000 -0.972 0.000 0.832 369 A HN 0.288 nan 8.150 nan 0.000 0.455 370 F N -1.118 118.830 119.950 -0.004 0.000 2.523 370 F HA 0.508 5.035 4.527 0.000 0.000 0.329 370 F C -2.272 173.524 175.800 -0.006 0.000 1.061 370 F CA -2.766 55.231 58.000 -0.005 0.000 0.967 370 F CB 1.128 40.124 39.000 -0.006 0.000 1.218 370 F HN -0.081 nan 8.300 nan 0.000 0.480 371 P HA 0.337 nan 4.420 nan 0.000 0.251 371 P C -0.599 176.757 177.300 0.093 0.000 1.718 371 P CA -0.005 63.156 63.100 0.101 0.000 1.119 371 P CB 0.687 32.428 31.700 0.069 0.000 1.762 372 G N 0.958 109.815 108.800 0.096 0.000 2.633 372 G HA2 0.333 4.293 3.960 0.000 0.000 0.299 372 G HA3 0.333 4.293 3.960 0.000 0.000 0.299 372 G C -0.668 174.271 174.900 0.065 0.000 1.501 372 G CA -0.523 44.618 45.100 0.068 0.000 0.887 372 G HN 0.378 nan 8.290 nan 0.000 0.561 373 S N 0.722 116.445 115.700 0.038 0.000 2.554 373 S HA 0.349 4.819 4.470 0.000 0.000 0.290 373 S C 2.038 176.663 174.600 0.042 0.000 1.309 373 S CA 1.095 59.314 58.200 0.031 0.000 1.047 373 S CB 0.979 64.189 63.200 0.017 0.000 0.828 373 S HN 2.138 nan 8.310 nan 0.000 0.509 374 A N 3.596 126.437 122.820 0.035 0.000 1.903 374 A HA -0.230 4.090 4.320 0.000 0.000 0.219 374 A C 2.295 179.901 177.584 0.037 0.000 1.191 374 A CA 2.210 54.270 52.037 0.039 0.000 0.638 374 A CB -1.219 17.794 19.000 0.022 0.000 0.823 374 A HN 1.031 nan 8.150 nan 0.000 0.451 375 Q N -0.743 119.070 119.800 0.021 0.000 2.046 375 Q HA -0.157 4.183 4.340 0.000 0.000 0.200 375 Q C 1.490 177.496 176.000 0.010 0.000 0.975 375 Q CA 1.089 56.900 55.803 0.012 0.000 0.836 375 Q CB -0.539 28.201 28.738 0.004 0.000 0.896 375 Q HN 0.496 nan 8.270 nan 0.000 0.428 376 D N 0.910 121.315 120.400 0.010 0.000 2.347 376 D HA -0.223 4.417 4.640 0.000 0.000 0.189 376 D C 2.025 178.319 176.300 -0.009 0.000 1.020 376 D CA 1.883 55.883 54.000 0.000 0.000 0.875 376 D CB -0.329 40.476 40.800 0.009 0.000 0.928 376 D HN 0.140 nan 8.370 nan 0.000 0.454 377 V N 0.835 120.758 119.914 0.014 0.000 2.270 377 V HA -0.201 3.919 4.120 0.000 0.000 0.245 377 V C 2.387 178.474 176.094 -0.012 0.000 1.043 377 V CA 1.658 63.957 62.300 -0.001 0.000 1.014 377 V CB -0.450 31.439 31.823 0.109 0.000 0.645 377 V HN 0.112 nan 8.190 nan 0.000 0.447 378 E N 1.376 121.582 120.200 0.011 0.000 2.019 378 E HA -0.286 4.064 4.350 0.000 0.000 0.208 378 E C 2.406 178.993 176.600 -0.022 0.000 1.030 378 E CA 2.405 58.804 56.400 -0.001 0.000 0.856 378 E CB -0.653 29.049 29.700 0.004 0.000 0.781 378 E HN 0.605 nan 8.360 nan 0.000 0.471 379 R N 0.823 121.310 120.500 -0.022 0.000 2.140 379 R HA -0.196 4.144 4.340 0.000 0.000 0.250 379 R C 2.729 179.003 176.300 -0.043 0.000 1.150 379 R CA 2.074 58.156 56.100 -0.030 0.000 0.966 379 R CB -1.044 29.241 30.300 -0.025 0.000 0.869 379 R HN 0.378 nan 8.270 nan 0.000 0.445 380 L N 0.891 122.085 121.223 -0.049 0.000 1.990 380 L HA -0.198 4.142 4.340 0.000 0.000 0.213 380 L C 2.583 179.407 176.870 -0.076 0.000 1.072 380 L CA 1.735 56.535 54.840 -0.068 0.000 0.755 380 L CB -0.357 41.650 42.059 -0.087 0.000 0.889 380 L HN 0.383 nan 8.230 nan 0.000 0.432 381 L N -0.354 120.825 121.223 -0.074 0.000 2.189 381 L HA -0.242 4.098 4.340 0.000 0.000 0.214 381 L C 1.540 178.364 176.870 -0.077 0.000 1.097 381 L CA 1.214 56.008 54.840 -0.077 0.000 0.764 381 L CB -0.320 41.706 42.059 -0.056 0.000 0.900 381 L HN 0.201 nan 8.230 nan 0.000 0.436 382 K N -0.300 120.060 120.400 -0.066 0.000 3.129 382 K HA 0.104 4.424 4.320 0.000 0.000 0.224 382 K C 0.737 177.296 176.600 -0.067 0.000 1.249 382 K CA -0.093 56.153 56.287 -0.068 0.000 1.177 382 K CB 0.418 32.884 32.500 -0.056 0.000 1.393 382 K HN 0.046 nan 8.250 nan 0.000 0.459 383 K N -0.241 120.114 120.400 -0.075 0.000 2.274 383 K HA 0.051 4.371 4.320 0.000 0.000 0.219 383 K C 0.101 176.651 176.600 -0.084 0.000 1.058 383 K CA -0.003 56.241 56.287 -0.071 0.000 0.920 383 K CB 0.266 32.724 32.500 -0.070 0.000 1.124 383 K HN -0.023 nan 8.250 nan 0.000 0.464 384 Q N 2.190 121.930 119.800 -0.100 0.000 2.275 384 Q HA -0.073 4.268 4.340 0.000 0.000 0.293 384 Q C -0.158 175.765 176.000 -0.128 0.000 1.129 384 Q CA 0.917 56.647 55.803 -0.121 0.000 0.971 384 Q CB 0.434 29.088 28.738 -0.140 0.000 1.098 384 Q HN 0.118 nan 8.270 nan 0.000 0.386 385 R N 2.718 123.148 120.500 -0.118 0.000 2.334 385 R HA 0.162 4.502 4.340 0.000 0.000 0.216 385 R C -0.226 175.995 176.300 -0.132 0.000 0.905 385 R CA -0.120 55.913 56.100 -0.112 0.000 1.064 385 R CB 0.712 30.965 30.300 -0.078 0.000 1.046 385 R HN 0.521 nan 8.270 nan 0.000 0.508 386 E N 0.719 120.822 120.200 -0.163 0.000 2.222 386 E HA 0.285 4.635 4.350 0.000 0.000 0.272 386 E C -0.789 175.637 176.600 -0.290 0.000 0.982 386 E CA -0.344 55.949 56.400 -0.178 0.000 0.842 386 E CB 2.027 31.628 29.700 -0.164 0.000 1.144 386 E HN -0.187 nan 8.360 nan 0.000 0.397 387 S N 1.723 117.215 115.700 -0.347 0.000 2.489 387 S HA 0.379 4.850 4.470 0.000 0.000 0.291 387 S C -0.210 173.959 174.600 -0.718 0.000 1.151 387 S CA -0.312 57.465 58.200 -0.705 0.000 1.082 387 S CB 0.386 63.076 63.200 -0.850 0.000 1.019 387 S HN 0.679 nan 8.310 nan 0.000 0.492 388 Y N 0.314 120.112 120.300 -0.836 0.000 2.728 388 Y HA -0.367 4.184 4.550 0.000 0.000 0.481 388 Y C 0.016 175.380 175.900 -0.894 0.000 1.108 388 Y CA 1.363 58.734 58.100 -1.215 0.000 2.921 388 Y CB -1.040 36.784 38.460 -1.060 0.000 1.016 388 Y HN 0.602 nan 8.280 nan 0.000 0.580 389 F N 1.014 120.926 119.950 -0.064 0.000 2.449 389 F HA 0.573 5.100 4.527 0.000 0.000 0.342 389 F C 0.212 175.908 175.800 -0.173 0.000 1.127 389 F CA -0.768 57.207 58.000 -0.042 0.000 0.975 389 F CB 1.568 40.630 39.000 0.103 0.000 1.146 389 F HN 0.011 nan 8.300 nan 0.000 0.444 390 V N -0.586 119.262 119.914 -0.110 0.000 2.994 390 V HA 0.632 4.752 4.120 0.000 0.000 0.318 390 V C -0.758 175.032 176.094 -0.507 0.000 1.085 390 V CA -0.726 61.340 62.300 -0.391 0.000 0.998 390 V CB 2.014 33.666 31.823 -0.285 0.000 1.063 390 V HN 0.629 nan 8.190 nan 0.000 0.447 391 D N 1.568 121.487 120.400 -0.801 0.000 2.256 391 D HA 0.675 5.315 4.640 0.000 0.000 0.250 391 D C 0.027 176.209 176.300 -0.197 0.000 1.093 391 D CA 0.475 54.183 54.000 -0.486 0.000 0.882 391 D CB 1.616 42.159 40.800 -0.429 0.000 1.185 391 D HN 1.119 nan 8.370 nan 0.000 0.437 392 A N 0.000 122.776 122.820 -0.073 0.000 2.254 392 A HA 0.000 4.320 4.320 0.000 0.000 0.244 392 A CA 0.000 52.013 52.037 -0.040 0.000 0.836 392 A CB 0.000 18.991 19.000 -0.016 0.000 0.831 392 A HN 0.000 nan 8.150 nan 0.000 0.486