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 3fef_1_D DATA FIRST_RESID 7 DATA SEQUENCE LDQIKIAYIG GGSQGWARSL XSDLSIDERX SGTVALYDLD FEAAQKNEVI DATA SEQUENCE GNHSGNGRWR YEAVSTLKKA LSAADIVIIS ILPGSLDDXE VDVHLPERCG DATA SEQUENCE IYQSVGDTVG PGGIIRGLRA VPIFAEIARA IRDYAPESWV INYTNPXSVC DATA SEQUENCE TRVLYKVFPG IKAIGCCHEV FGTQKLLAEX VTERLGIEVP RREDIRVNVL DATA SEQUENCE GINHFTWITK ASYRHIDLLP IFREFSAHYG ESGYELEGEC WRDSVFCSAH DATA SEQUENCE RVAFDLFETY GAIPAAGDRH LAEFLPGPYL KQPEVWKFHL TPISFRKQDR DATA SEQUENCE AEKRQETERL IVQQRGVAEK ASGEEGVNII AALLGLGELV TNVNXPNQGQ DATA SEQUENCE VLNLPIQAIV ETNAFITRNR VQPILSGALP KGVEXLAARH ISNQEAVADA DATA SEQUENCE GLTKDTGLAF QAFLNDPLVQ IDRSDAEQLF NDXL 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 7 L HA 0.000 nan 4.340 nan 0.000 0.249 7 L C 0.000 176.821 176.870 -0.081 0.000 1.165 7 L CA 0.000 54.822 54.840 -0.031 0.000 0.813 7 L CB 0.000 42.059 42.059 -0.000 0.000 0.961 8 D N 2.750 123.094 120.400 -0.093 0.000 2.506 8 D HA 0.473 5.113 4.640 -0.000 0.000 0.254 8 D C -0.234 175.988 176.300 -0.131 0.000 1.089 8 D CA 0.005 53.913 54.000 -0.154 0.000 1.050 8 D CB 1.181 41.901 40.800 -0.133 0.000 1.221 8 D HN 0.619 nan 8.370 nan 0.000 0.589 9 Q N -0.621 119.081 119.800 -0.163 0.000 2.461 9 Q HA -0.171 4.169 4.340 -0.000 0.000 0.264 9 Q C -0.272 175.689 176.000 -0.066 0.000 1.085 9 Q CA 0.364 56.101 55.803 -0.109 0.000 1.006 9 Q CB -0.765 27.937 28.738 -0.061 0.000 1.437 9 Q HN 0.342 nan 8.270 nan 0.000 0.514 10 I N 0.958 121.476 120.570 -0.087 0.000 2.692 10 I HA 0.059 4.229 4.170 -0.000 0.000 0.284 10 I C 0.679 176.869 176.117 0.122 0.000 1.159 10 I CA 0.680 62.009 61.300 0.049 0.000 1.423 10 I CB 0.897 38.993 38.000 0.160 0.000 1.380 10 I HN 0.082 nan 8.210 nan 0.000 0.580 11 K N 6.841 127.329 120.400 0.146 0.000 2.323 11 K HA 0.614 4.934 4.320 -0.000 0.000 0.259 11 K C -1.265 175.439 176.600 0.174 0.000 0.947 11 K CA -0.502 55.881 56.287 0.159 0.000 0.819 11 K CB 1.188 33.744 32.500 0.094 0.000 1.109 11 K HN 0.490 nan 8.250 nan 0.000 0.429 12 I N 3.631 124.313 120.570 0.187 0.000 2.362 12 I HA 0.345 4.515 4.170 -0.000 0.000 0.289 12 I C -0.291 175.901 176.117 0.126 0.000 0.994 12 I CA -0.863 60.518 61.300 0.134 0.000 1.158 12 I CB 1.943 39.989 38.000 0.077 0.000 1.315 12 I HN 0.706 nan 8.210 nan 0.000 0.451 13 A N 6.452 129.337 122.820 0.109 0.000 2.289 13 A HA 0.403 4.723 4.320 -0.000 0.000 0.298 13 A C -1.259 176.413 177.584 0.146 0.000 1.208 13 A CA -0.131 51.977 52.037 0.118 0.000 0.845 13 A CB 0.162 19.202 19.000 0.067 0.000 1.125 13 A HN 0.676 nan 8.150 nan 0.000 0.517 14 Y N 3.338 123.699 120.300 0.102 0.000 2.402 14 Y HA 0.509 5.059 4.550 -0.000 0.000 0.332 14 Y C -0.335 175.659 175.900 0.157 0.000 0.960 14 Y CA -0.490 57.682 58.100 0.120 0.000 1.228 14 Y CB 0.891 39.424 38.460 0.122 0.000 1.120 14 Y HN 0.569 nan 8.280 nan 0.000 0.491 15 I N 5.813 126.430 120.570 0.078 0.000 2.312 15 I HA 0.327 4.497 4.170 -0.000 0.000 0.291 15 I C 0.844 177.086 176.117 0.207 0.000 1.031 15 I CA 0.165 61.583 61.300 0.196 0.000 1.293 15 I CB 0.773 38.809 38.000 0.060 0.000 1.403 15 I HN 0.974 nan 8.210 nan 0.000 0.484 16 G N 4.175 113.160 108.800 0.308 0.000 2.141 16 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.195 16 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.195 16 G C 0.796 175.942 174.900 0.411 0.000 1.012 16 G CA -0.149 45.126 45.100 0.293 0.000 0.696 16 G HN 0.923 nan 8.290 nan 0.000 0.508 17 G N 0.028 109.055 108.800 0.378 0.000 2.776 17 G HA2 0.352 4.312 3.960 -0.000 0.000 0.209 17 G HA3 0.352 4.312 3.960 -0.000 0.000 0.209 17 G C 1.388 176.263 174.900 -0.041 0.000 1.145 17 G CA 1.157 46.334 45.100 0.127 0.000 0.791 17 G HN 1.333 nan 8.290 nan 0.000 0.530 18 G N 0.042 108.838 108.800 -0.008 0.000 2.880 18 G HA2 0.152 4.112 3.960 -0.000 0.000 0.209 18 G HA3 0.152 4.112 3.960 -0.000 0.000 0.209 18 G C 0.957 175.834 174.900 -0.037 0.000 1.157 18 G CA 0.561 45.628 45.100 -0.055 0.000 0.779 18 G HN 0.497 nan 8.290 nan 0.000 0.539 19 S N -0.329 115.376 115.700 0.007 0.000 2.554 19 S HA 0.002 4.472 4.470 -0.000 0.000 0.290 19 S C 0.793 175.375 174.600 -0.030 0.000 1.309 19 S CA 0.380 58.603 58.200 0.038 0.000 1.047 19 S CB 0.625 63.907 63.200 0.136 0.000 0.828 19 S HN 0.452 nan 8.310 nan 0.000 0.509 20 Q N 2.566 122.357 119.800 -0.015 0.000 2.182 20 Q HA 0.320 4.660 4.340 -0.000 0.000 0.270 20 Q C 0.808 176.771 176.000 -0.062 0.000 0.861 20 Q CA -0.054 55.719 55.803 -0.049 0.000 1.098 20 Q CB 0.867 29.579 28.738 -0.043 0.000 1.188 20 Q HN 0.869 nan 8.270 nan 0.000 0.464 21 G N -0.656 108.109 108.800 -0.058 0.000 2.607 21 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.162 21 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.162 21 G C 0.082 174.869 174.900 -0.189 0.000 1.583 21 G CA -0.276 44.732 45.100 -0.153 0.000 0.779 21 G HN 0.344 nan 8.290 nan 0.000 0.747 22 W N 1.848 123.129 121.300 -0.032 0.000 2.350 22 W HA 0.146 4.806 4.660 -0.000 0.000 0.289 22 W C 2.924 179.413 176.519 -0.051 0.000 1.215 22 W CA 1.323 58.616 57.345 -0.085 0.000 1.236 22 W CB 0.028 29.402 29.460 -0.143 0.000 1.130 22 W HN 0.383 nan 8.180 nan 0.000 0.541 23 A N 0.784 123.656 122.820 0.087 0.000 1.851 23 A HA -0.226 4.094 4.320 -0.000 0.000 0.216 23 A C 2.127 179.619 177.584 -0.152 0.000 1.195 23 A CA 1.757 53.645 52.037 -0.248 0.000 0.622 23 A CB -0.696 18.107 19.000 -0.327 0.000 0.831 23 A HN 0.113 nan 8.150 nan 0.000 0.444 24 R N -0.088 120.342 120.500 -0.118 0.000 2.081 24 R HA -0.097 4.242 4.340 -0.000 0.000 0.235 24 R C 2.641 178.895 176.300 -0.078 0.000 1.131 24 R CA 1.573 57.606 56.100 -0.112 0.000 0.960 24 R CB -1.425 28.809 30.300 -0.110 0.000 0.856 24 R HN 0.657 nan 8.270 nan 0.000 0.436 25 S N 0.716 116.377 115.700 -0.065 0.000 2.382 25 S HA -0.099 4.371 4.470 -0.000 0.000 0.228 25 S C 1.171 175.784 174.600 0.022 0.000 1.027 25 S CA 0.247 58.425 58.200 -0.036 0.000 0.991 25 S CB -0.210 62.950 63.200 -0.068 0.000 0.823 25 S HN 0.117 nan 8.310 nan 0.000 0.469 29 D N 2.296 122.702 120.400 0.011 0.000 2.144 29 D HA 0.043 4.683 4.640 -0.000 0.000 0.199 29 D C 1.834 178.141 176.300 0.012 0.000 0.984 29 D CA 0.882 54.894 54.000 0.019 0.000 0.834 29 D CB -0.234 40.584 40.800 0.030 0.000 0.955 29 D HN 0.322 nan 8.370 nan 0.000 0.465 30 L N 1.054 122.250 121.223 -0.046 0.000 2.046 30 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 30 L C 2.502 179.437 176.870 0.109 0.000 1.077 30 L CA 1.368 56.132 54.840 -0.127 0.000 0.747 30 L CB -0.495 41.252 42.059 -0.519 0.000 0.896 30 L HN 0.081 nan 8.230 nan 0.000 0.432 31 S N 0.151 115.924 115.700 0.120 0.000 2.481 31 S HA -0.104 4.366 4.470 -0.000 0.000 0.231 31 S C 1.715 176.402 174.600 0.145 0.000 0.996 31 S CA 0.859 59.168 58.200 0.182 0.000 0.942 31 S CB -0.514 62.767 63.200 0.135 0.000 0.768 31 S HN 0.622 nan 8.310 nan 0.000 0.520 32 I N -2.271 118.363 120.570 0.107 0.000 3.941 32 I HA 0.339 4.509 4.170 -0.000 0.000 0.321 32 I C -0.011 176.162 176.117 0.094 0.000 1.284 32 I CA -0.130 61.221 61.300 0.085 0.000 1.226 32 I CB -0.039 37.994 38.000 0.054 0.000 1.045 32 I HN -0.022 nan 8.210 nan 0.000 0.420 33 D N 3.527 124.002 120.400 0.126 0.000 2.365 33 D HA 0.081 4.721 4.640 -0.000 0.000 0.237 33 D C 0.513 176.903 176.300 0.149 0.000 1.190 33 D CA 0.086 54.163 54.000 0.128 0.000 0.867 33 D CB 0.965 41.850 40.800 0.141 0.000 1.050 33 D HN 0.378 nan 8.370 nan 0.000 0.491 34 E N 2.501 122.759 120.200 0.097 0.000 2.502 34 E HA -0.002 4.348 4.350 -0.000 0.000 0.194 34 E C 0.637 177.274 176.600 0.061 0.000 1.062 34 E CA 0.108 56.553 56.400 0.075 0.000 0.867 34 E CB 0.719 30.448 29.700 0.049 0.000 0.888 34 E HN 0.292 nan 8.360 nan 0.000 0.510 38 G N 1.434 109.343 108.800 -1.485 0.000 2.452 38 G HA2 0.545 4.505 3.960 -0.000 0.000 0.224 38 G HA3 0.545 4.505 3.960 -0.000 0.000 0.224 38 G C -0.578 174.128 174.900 -0.323 0.000 1.208 38 G CA 0.450 45.100 45.100 -0.749 0.000 0.946 38 G HN 1.935 nan 8.290 nan 0.000 0.481 39 T N -2.346 112.236 114.554 0.046 0.000 2.907 39 T HA 0.715 5.065 4.350 -0.000 0.000 0.292 39 T C -1.095 173.720 174.700 0.192 0.000 1.043 39 T CA -0.689 61.485 62.100 0.122 0.000 1.003 39 T CB 1.994 70.886 68.868 0.040 0.000 1.084 39 T HN 1.134 nan 8.240 nan 0.000 0.483 40 V N 1.813 121.716 119.914 -0.019 0.000 2.407 40 V HA 0.710 4.830 4.120 -0.000 0.000 0.291 40 V C 0.443 176.567 176.094 0.049 0.000 1.018 40 V CA -1.039 61.234 62.300 -0.045 0.000 0.842 40 V CB 1.021 32.654 31.823 -0.318 0.000 0.996 40 V HN 1.280 nan 8.190 nan 0.000 0.426 41 A N 6.666 129.553 122.820 0.112 0.000 2.310 41 A HA 0.711 5.031 4.320 -0.000 0.000 0.300 41 A C -0.329 177.377 177.584 0.203 0.000 1.269 41 A CA -0.254 51.869 52.037 0.143 0.000 0.909 41 A CB -0.082 18.991 19.000 0.122 0.000 1.144 41 A HN 0.841 nan 8.150 nan 0.000 0.540 42 L N 3.452 124.794 121.223 0.199 0.000 2.261 42 L HA 0.339 4.679 4.340 -0.000 0.000 0.289 42 L C -0.444 176.568 176.870 0.237 0.000 1.059 42 L CA -0.337 54.624 54.840 0.202 0.000 0.816 42 L CB 0.320 42.440 42.059 0.100 0.000 1.191 42 L HN 0.753 nan 8.230 nan 0.000 0.431 43 Y N 3.754 124.148 120.300 0.157 0.000 2.409 43 Y HA 0.576 5.126 4.550 -0.000 0.000 0.339 43 Y C -0.724 175.258 175.900 0.137 0.000 1.033 43 Y CA -0.571 57.614 58.100 0.141 0.000 1.094 43 Y CB 1.499 40.027 38.460 0.114 0.000 1.210 43 Y HN 0.545 nan 8.280 nan 0.000 0.456 44 D N 5.127 125.125 120.400 -0.670 0.000 2.769 44 D HA 0.119 4.758 4.640 -0.000 0.000 0.219 44 D C 0.215 176.172 176.300 -0.571 0.000 1.245 44 D CA -0.393 53.328 54.000 -0.466 0.000 0.801 44 D CB 1.894 42.598 40.800 -0.160 0.000 1.598 44 D HN 0.797 nan 8.370 nan 0.000 0.485 45 L N 0.883 121.892 121.223 -0.356 0.000 2.129 45 L HA -0.150 4.190 4.340 -0.000 0.000 0.212 45 L C 0.989 177.805 176.870 -0.089 0.000 1.087 45 L CA 1.247 55.977 54.840 -0.183 0.000 0.757 45 L CB -0.092 41.941 42.059 -0.044 0.000 0.896 45 L HN 0.362 nan 8.230 nan 0.000 0.434 46 D N -0.462 119.895 120.400 -0.071 0.000 2.468 46 D HA -0.027 4.613 4.640 -0.000 0.000 0.218 46 D C 0.804 177.100 176.300 -0.007 0.000 1.155 46 D CA -0.255 53.736 54.000 -0.015 0.000 0.924 46 D CB 0.549 41.338 40.800 -0.018 0.000 1.029 46 D HN 0.076 nan 8.370 nan 0.000 0.515 47 F N 3.150 123.045 119.950 -0.091 0.000 2.161 47 F HA -0.145 4.382 4.527 -0.000 0.000 0.300 47 F C 1.976 177.749 175.800 -0.045 0.000 1.089 47 F CA 1.458 59.414 58.000 -0.072 0.000 1.282 47 F CB 0.294 39.268 39.000 -0.043 0.000 1.010 47 F HN 0.429 nan 8.300 nan 0.000 0.485 48 E N 0.186 120.364 120.200 -0.036 0.000 2.110 48 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 48 E C 2.252 178.747 176.600 -0.175 0.000 0.988 48 E CA 0.972 57.303 56.400 -0.116 0.000 0.804 48 E CB -0.256 29.440 29.700 -0.006 0.000 0.745 48 E HN 0.496 nan 8.360 nan 0.000 0.458 49 A N 1.168 123.909 122.820 -0.133 0.000 1.898 49 A HA -0.056 4.263 4.320 -0.000 0.000 0.216 49 A C 2.386 179.865 177.584 -0.176 0.000 1.181 49 A CA 1.619 53.581 52.037 -0.124 0.000 0.620 49 A CB -0.666 18.288 19.000 -0.076 0.000 0.819 49 A HN 0.394 nan 8.150 nan 0.000 0.442 50 A N -0.813 121.869 122.820 -0.230 0.000 1.933 50 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 50 A C 2.163 179.558 177.584 -0.316 0.000 1.175 50 A CA 1.891 53.779 52.037 -0.249 0.000 0.628 50 A CB -0.550 18.302 19.000 -0.246 0.000 0.814 50 A HN 0.654 nan 8.150 nan 0.000 0.444 51 Q N -0.263 119.257 119.800 -0.466 0.000 2.079 51 Q HA -0.170 4.170 4.340 -0.000 0.000 0.200 51 Q C 1.953 177.815 176.000 -0.230 0.000 0.974 51 Q CA 1.782 57.342 55.803 -0.404 0.000 0.840 51 Q CB -0.098 28.362 28.738 -0.464 0.000 0.898 51 Q HN 0.691 nan 8.270 nan 0.000 0.430 52 K N 0.019 120.300 120.400 -0.197 0.000 2.057 52 K HA -0.112 4.208 4.320 -0.000 0.000 0.207 52 K C 1.806 178.305 176.600 -0.168 0.000 1.049 52 K CA 1.234 57.432 56.287 -0.149 0.000 0.931 52 K CB -0.065 32.364 32.500 -0.118 0.000 0.714 52 K HN 0.200 nan 8.250 nan 0.000 0.440 53 N N 1.201 119.790 118.700 -0.185 0.000 2.309 53 N HA -0.162 4.578 4.740 -0.000 0.000 0.182 53 N C 1.619 176.968 175.510 -0.269 0.000 1.018 53 N CA 0.847 53.763 53.050 -0.222 0.000 0.876 53 N CB 0.006 38.367 38.487 -0.210 0.000 0.972 53 N HN 0.325 nan 8.380 nan 0.000 0.434 54 E N 0.642 120.729 120.200 -0.190 0.000 2.031 54 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 54 E C 1.694 178.176 176.600 -0.197 0.000 0.994 54 E CA 1.116 57.438 56.400 -0.129 0.000 0.800 54 E CB 0.139 29.790 29.700 -0.082 0.000 0.752 54 E HN 0.005 nan 8.360 nan 0.000 0.447 55 V N 1.534 121.322 119.914 -0.211 0.000 2.295 55 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 55 V C 2.472 178.303 176.094 -0.437 0.000 1.049 55 V CA 1.780 63.905 62.300 -0.291 0.000 1.024 55 V CB -0.436 31.283 31.823 -0.173 0.000 0.648 55 V HN 0.346 nan 8.190 nan 0.000 0.447 56 I N 0.714 121.121 120.570 -0.271 0.000 2.286 56 I HA -0.160 4.010 4.170 -0.000 0.000 0.248 56 I C 2.532 178.474 176.117 -0.292 0.000 1.115 56 I CA 1.644 62.825 61.300 -0.198 0.000 1.392 56 I CB -0.873 37.033 38.000 -0.157 0.000 1.065 56 I HN 0.427 nan 8.210 nan 0.000 0.418 57 G N 0.731 109.248 108.800 -0.472 0.000 2.408 57 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.217 57 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.217 57 G C 1.236 175.926 174.900 -0.351 0.000 1.150 57 G CA 0.365 44.983 45.100 -0.804 0.000 0.776 57 G HN 0.291 nan 8.290 nan 0.000 0.542 58 N N 0.214 118.778 118.700 -0.228 0.000 2.362 58 N HA 0.078 4.818 4.740 -0.000 0.000 0.204 58 N C 0.586 176.036 175.510 -0.099 0.000 1.166 58 N CA 0.200 53.210 53.050 -0.066 0.000 0.831 58 N CB -0.052 38.402 38.487 -0.056 0.000 1.008 58 N HN 0.564 nan 8.380 nan 0.000 0.472 59 H N -2.074 116.989 119.070 -0.012 0.000 2.755 59 H HA 0.310 4.866 4.556 -0.000 0.000 0.273 59 H C -0.016 175.315 175.328 0.004 0.000 1.055 59 H CA -0.249 55.796 56.048 -0.005 0.000 1.191 59 H CB 0.830 30.576 29.762 -0.027 0.000 1.536 59 H HN -0.072 nan 8.280 nan 0.000 0.529 60 S N 0.331 116.090 115.700 0.099 0.000 2.617 60 S HA 0.500 4.970 4.470 -0.000 0.000 0.283 60 S C 0.713 175.396 174.600 0.138 0.000 1.189 60 S CA -0.075 58.176 58.200 0.085 0.000 1.036 60 S CB 1.640 64.851 63.200 0.018 0.000 1.014 60 S HN 0.724 nan 8.310 nan 0.000 0.522 61 G N 2.822 111.696 108.800 0.123 0.000 2.641 61 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.254 61 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.254 61 G C -0.041 174.929 174.900 0.116 0.000 1.315 61 G CA 0.050 45.234 45.100 0.141 0.000 0.907 61 G HN 0.709 nan 8.290 nan 0.000 0.572 62 N N 1.730 120.497 118.700 0.111 0.000 2.383 62 N HA 0.334 5.074 4.740 -0.000 0.000 0.192 62 N C 1.643 177.196 175.510 0.071 0.000 1.141 62 N CA 1.675 54.770 53.050 0.075 0.000 0.851 62 N CB 0.238 38.757 38.487 0.053 0.000 0.976 62 N HN 2.190 nan 8.380 nan 0.000 0.465 63 G N 1.333 110.195 108.800 0.103 0.000 2.149 63 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.235 63 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.235 63 G C 0.891 175.818 174.900 0.046 0.000 1.018 63 G CA 0.413 45.566 45.100 0.089 0.000 0.728 63 G HN 0.460 nan 8.290 nan 0.000 0.508 64 R N -1.271 119.272 120.500 0.072 0.000 2.081 64 R HA 0.020 4.360 4.340 -0.000 0.000 0.235 64 R C 0.346 176.498 176.300 -0.246 0.000 1.131 64 R CA 1.210 57.280 56.100 -0.051 0.000 0.960 64 R CB 0.031 30.383 30.300 0.088 0.000 0.856 64 R HN 0.438 nan 8.270 nan 0.000 0.436 65 W N 0.728 122.042 121.300 0.023 0.000 2.600 65 W HA 0.417 5.077 4.660 -0.000 0.000 0.325 65 W C -0.420 176.048 176.519 -0.084 0.000 1.034 65 W CA -0.888 56.409 57.345 -0.079 0.000 1.226 65 W CB 1.186 30.557 29.460 -0.147 0.000 1.379 65 W HN -0.088 nan 8.180 nan 0.000 0.466 66 R N 3.156 123.688 120.500 0.053 0.000 2.297 66 R HA 0.397 4.737 4.340 -0.000 0.000 0.308 66 R C -1.361 174.913 176.300 -0.043 0.000 1.029 66 R CA -0.477 55.665 56.100 0.070 0.000 0.929 66 R CB 0.701 31.025 30.300 0.040 0.000 1.046 66 R HN 0.529 nan 8.270 nan 0.000 0.461 67 Y N 1.658 122.011 120.300 0.089 0.000 2.387 67 Y HA 0.321 4.870 4.550 -0.000 0.000 0.336 67 Y C -0.005 175.917 175.900 0.037 0.000 1.067 67 Y CA -0.505 57.632 58.100 0.062 0.000 1.114 67 Y CB 1.816 40.283 38.460 0.011 0.000 1.208 67 Y HN 0.545 nan 8.280 nan 0.000 0.458 68 E N 1.581 121.888 120.200 0.179 0.000 2.287 68 E HA 0.653 5.003 4.350 -0.000 0.000 0.274 68 E C -1.610 175.066 176.600 0.126 0.000 0.896 68 E CA -0.869 55.607 56.400 0.127 0.000 0.788 68 E CB 1.192 30.955 29.700 0.105 0.000 1.244 68 E HN 0.777 nan 8.360 nan 0.000 0.408 69 A N 3.547 126.419 122.820 0.086 0.000 2.354 69 A HA 0.487 4.807 4.320 -0.000 0.000 0.281 69 A C -0.014 177.739 177.584 0.283 0.000 1.174 69 A CA -0.381 51.693 52.037 0.063 0.000 0.828 69 A CB 0.230 19.073 19.000 -0.263 0.000 1.099 69 A HN 0.442 nan 8.150 nan 0.000 0.516 70 V N 1.204 121.319 119.914 0.334 0.000 2.769 70 V HA 0.731 4.851 4.120 -0.000 0.000 0.312 70 V C 0.669 177.040 176.094 0.462 0.000 1.061 70 V CA 0.151 62.664 62.300 0.355 0.000 0.931 70 V CB 1.532 33.484 31.823 0.215 0.000 1.010 70 V HN 1.146 nan 8.190 nan 0.000 0.433 71 S N 1.160 117.036 115.700 0.293 0.000 2.517 71 S HA 0.171 4.641 4.470 -0.000 0.000 0.214 71 S C 0.815 175.613 174.600 0.330 0.000 0.991 71 S CA 0.465 58.799 58.200 0.223 0.000 0.906 71 S CB -0.380 62.706 63.200 -0.190 0.000 0.789 71 S HN 1.458 nan 8.310 nan 0.000 0.513 72 T N -1.448 113.232 114.554 0.210 0.000 2.924 72 T HA 0.633 4.983 4.350 -0.000 0.000 0.291 72 T C 0.824 175.345 174.700 -0.300 0.000 1.045 72 T CA -0.915 61.206 62.100 0.035 0.000 1.015 72 T CB 1.270 70.106 68.868 -0.054 0.000 1.103 72 T HN 0.024 nan 8.240 nan 0.000 0.496 73 L N 0.784 121.662 121.223 -0.576 0.000 2.017 73 L HA -0.047 4.293 4.340 -0.000 0.000 0.208 73 L C 2.957 179.615 176.870 -0.352 0.000 1.073 73 L CA 1.682 56.161 54.840 -0.601 0.000 0.745 73 L CB -0.449 41.357 42.059 -0.422 0.000 0.894 73 L HN 0.878 nan 8.230 nan 0.000 0.432 74 K N 0.574 120.729 120.400 -0.407 0.000 2.034 74 K HA -0.307 4.013 4.320 -0.000 0.000 0.214 74 K C 2.201 178.541 176.600 -0.433 0.000 1.051 74 K CA 2.109 57.952 56.287 -0.740 0.000 0.931 74 K CB -0.079 31.958 32.500 -0.772 0.000 0.715 74 K HN 0.039 nan 8.250 nan 0.000 0.446 75 K N -0.470 119.776 120.400 -0.256 0.000 2.148 75 K HA -0.052 4.268 4.320 -0.000 0.000 0.204 75 K C 1.902 178.457 176.600 -0.075 0.000 1.050 75 K CA 1.055 57.261 56.287 -0.135 0.000 0.942 75 K CB -0.091 32.372 32.500 -0.060 0.000 0.724 75 K HN 0.315 nan 8.250 nan 0.000 0.446 76 A N 0.643 123.419 122.820 -0.075 0.000 1.898 76 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 76 A C 1.986 179.561 177.584 -0.016 0.000 1.181 76 A CA 1.211 53.243 52.037 -0.009 0.000 0.620 76 A CB -0.458 18.541 19.000 -0.002 0.000 0.819 76 A HN 0.264 nan 8.150 nan 0.000 0.442 77 L N 0.378 121.565 121.223 -0.061 0.000 2.209 77 L HA 0.002 4.342 4.340 -0.000 0.000 0.207 77 L C 1.539 178.418 176.870 0.015 0.000 1.094 77 L CA 0.533 55.370 54.840 -0.006 0.000 0.790 77 L CB -0.345 41.736 42.059 0.037 0.000 0.932 77 L HN 0.482 nan 8.230 nan 0.000 0.447 78 S N 0.653 116.335 115.700 -0.030 0.000 2.537 78 S HA 0.299 4.769 4.470 -0.000 0.000 0.286 78 S C 1.131 175.740 174.600 0.015 0.000 1.299 78 S CA -0.190 58.008 58.200 -0.003 0.000 1.067 78 S CB 1.114 64.277 63.200 -0.061 0.000 0.864 78 S HN 0.453 nan 8.310 nan 0.000 0.494 79 A N 1.227 124.066 122.820 0.031 0.000 2.945 79 A HA -0.032 4.288 4.320 -0.000 0.000 0.263 79 A C 0.805 178.416 177.584 0.045 0.000 1.293 79 A CA 0.710 52.767 52.037 0.034 0.000 0.944 79 A CB -2.480 16.535 19.000 0.024 0.000 1.093 79 A HN 2.296 nan 8.150 nan 0.000 0.786 80 A N -0.147 122.703 122.820 0.050 0.000 2.440 80 A HA 0.488 4.808 4.320 -0.000 0.000 0.251 80 A C 0.966 178.595 177.584 0.075 0.000 1.089 80 A CA 0.416 52.492 52.037 0.065 0.000 0.779 80 A CB 0.181 19.218 19.000 0.062 0.000 1.022 80 A HN 0.407 nan 8.150 nan 0.000 0.492 81 D N 0.703 121.160 120.400 0.096 0.000 2.240 81 D HA 0.090 4.730 4.640 -0.000 0.000 0.206 81 D C 0.218 176.602 176.300 0.140 0.000 0.963 81 D CA 1.143 55.212 54.000 0.116 0.000 0.863 81 D CB 0.296 41.172 40.800 0.127 0.000 0.973 81 D HN 0.374 nan 8.370 nan 0.000 0.501 82 I N 1.430 122.075 120.570 0.126 0.000 2.569 82 I HA 0.225 4.395 4.170 -0.000 0.000 0.290 82 I C -0.617 175.549 176.117 0.081 0.000 1.088 82 I CA -0.719 60.655 61.300 0.125 0.000 1.047 82 I CB 2.555 40.625 38.000 0.117 0.000 1.237 82 I HN -0.373 nan 8.210 nan 0.000 0.421 83 V N 6.776 126.723 119.914 0.055 0.000 2.409 83 V HA 0.515 4.635 4.120 -0.000 0.000 0.291 83 V C 0.035 176.099 176.094 -0.049 0.000 1.020 83 V CA -0.494 61.809 62.300 0.006 0.000 0.848 83 V CB 2.181 34.000 31.823 -0.007 0.000 0.990 83 V HN 0.445 nan 8.190 nan 0.000 0.430 84 I N 5.769 126.265 120.570 -0.125 0.000 2.412 84 I HA 0.538 4.708 4.170 -0.000 0.000 0.296 84 I C -0.572 175.308 176.117 -0.396 0.000 0.987 84 I CA -0.424 60.717 61.300 -0.264 0.000 1.180 84 I CB 1.801 39.592 38.000 -0.348 0.000 1.340 84 I HN 0.428 nan 8.210 nan 0.000 0.455 85 I N 4.758 125.174 120.570 -0.256 0.000 2.410 85 I HA 0.297 4.467 4.170 -0.000 0.000 0.286 85 I C -0.158 175.939 176.117 -0.034 0.000 1.009 85 I CA -0.189 61.017 61.300 -0.156 0.000 1.111 85 I CB 1.830 39.796 38.000 -0.058 0.000 1.262 85 I HN 0.470 nan 8.210 nan 0.000 0.443 86 S N 8.170 123.882 115.700 0.020 0.000 2.386 86 S HA 0.522 4.992 4.470 -0.000 0.000 0.152 86 S C -0.616 174.141 174.600 0.262 0.000 1.511 86 S CA -0.545 57.771 58.200 0.193 0.000 1.246 86 S CB -0.034 63.355 63.200 0.315 0.000 1.338 86 S HN 0.547 nan 8.310 nan 0.000 0.409 87 I N 0.154 120.868 120.570 0.239 0.000 2.910 87 I HA 0.761 4.931 4.170 -0.000 0.000 0.310 87 I C -1.076 175.180 176.117 0.232 0.000 1.043 87 I CA -1.468 59.961 61.300 0.215 0.000 1.053 87 I CB 1.466 39.558 38.000 0.154 0.000 1.242 87 I HN 0.333 nan 8.210 nan 0.000 0.452 88 L N 4.659 125.996 121.223 0.190 0.000 2.265 88 L HA 0.591 4.931 4.340 -0.000 0.000 0.289 88 L C -2.424 174.544 176.870 0.162 0.000 1.033 88 L CA -1.917 53.029 54.840 0.176 0.000 0.814 88 L CB 0.528 42.675 42.059 0.147 0.000 1.203 88 L HN 0.411 nan 8.230 nan 0.000 0.423 89 P HA 0.374 nan 4.420 nan 0.000 0.268 89 P C 0.296 177.669 177.300 0.121 0.000 1.485 89 P CA 0.411 63.611 63.100 0.166 0.000 1.102 89 P CB 0.127 31.933 31.700 0.176 0.000 1.501 90 G N 2.512 111.374 108.800 0.103 0.000 2.545 90 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.216 90 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.216 90 G C -0.295 174.652 174.900 0.079 0.000 1.314 90 G CA -0.137 45.012 45.100 0.081 0.000 0.906 90 G HN 0.722 nan 8.290 nan 0.000 0.563 91 S N -1.599 114.142 115.700 0.069 0.000 2.806 91 S HA 0.761 5.231 4.470 -0.000 0.000 0.315 91 S C 1.345 175.987 174.600 0.071 0.000 1.127 91 S CA -0.088 58.151 58.200 0.066 0.000 0.918 91 S CB 1.642 64.874 63.200 0.052 0.000 1.240 91 S HN 1.040 nan 8.310 nan 0.000 0.552 92 L N 0.655 121.920 121.223 0.069 0.000 2.217 92 L HA -0.046 4.294 4.340 -0.000 0.000 0.211 92 L C 1.725 178.641 176.870 0.076 0.000 1.107 92 L CA 1.172 56.059 54.840 0.078 0.000 0.783 92 L CB -0.582 41.521 42.059 0.074 0.000 0.919 92 L HN 0.704 nan 8.230 nan 0.000 0.442 93 D N -0.146 120.291 120.400 0.062 0.000 2.117 93 D HA -0.102 4.538 4.640 -0.000 0.000 0.198 93 D C 0.719 177.054 176.300 0.058 0.000 0.982 93 D CA 0.796 54.831 54.000 0.058 0.000 0.828 93 D CB -0.234 40.592 40.800 0.043 0.000 0.967 93 D HN 0.284 nan 8.370 nan 0.000 0.464 97 V N 2.415 122.382 119.914 0.088 0.000 2.261 97 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 97 V C 1.728 177.852 176.094 0.049 0.000 1.047 97 V CA 2.417 64.755 62.300 0.064 0.000 1.015 97 V CB -0.627 31.218 31.823 0.037 0.000 0.642 97 V HN 0.305 nan 8.190 nan 0.000 0.446 98 D N 0.354 120.777 120.400 0.039 0.000 2.127 98 D HA -0.178 4.462 4.640 -0.000 0.000 0.190 98 D C 2.061 178.360 176.300 -0.002 0.000 1.000 98 D CA 1.853 55.874 54.000 0.035 0.000 0.839 98 D CB -0.510 40.313 40.800 0.038 0.000 0.955 98 D HN 0.374 nan 8.370 nan 0.000 0.446 99 V N 0.094 119.959 119.914 -0.082 0.000 2.649 99 V HA -0.097 4.023 4.120 -0.000 0.000 0.248 99 V C 1.877 177.795 176.094 -0.293 0.000 1.054 99 V CA 1.283 63.441 62.300 -0.237 0.000 1.073 99 V CB -0.210 31.353 31.823 -0.434 0.000 0.699 99 V HN 0.289 nan 8.190 nan 0.000 0.463 100 H N -1.834 117.258 119.070 0.036 0.000 2.594 100 H HA 0.221 4.777 4.556 -0.000 0.000 0.274 100 H C 1.949 177.272 175.328 -0.008 0.000 0.982 100 H CA 0.399 56.456 56.048 0.016 0.000 1.228 100 H CB 0.170 29.951 29.762 0.032 0.000 1.447 100 H HN 0.246 nan 8.280 nan 0.000 0.485 101 L N 2.512 123.804 121.223 0.115 0.000 2.021 101 L HA -0.097 4.243 4.340 -0.000 0.000 0.215 101 L C -0.884 176.007 176.870 0.036 0.000 1.074 101 L CA 1.914 56.794 54.840 0.067 0.000 0.760 101 L CB -1.228 40.867 42.059 0.058 0.000 0.889 101 L HN 0.088 nan 8.230 nan 0.000 0.433 102 P HA -0.155 nan 4.420 nan 0.000 0.223 102 P C 1.195 178.440 177.300 -0.091 0.000 1.144 102 P CA 1.170 64.276 63.100 0.010 0.000 0.783 102 P CB -0.103 31.607 31.700 0.017 0.000 0.771 103 E N 0.081 120.187 120.200 -0.158 0.000 2.160 103 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 103 E C 2.083 178.576 176.600 -0.179 0.000 0.991 103 E CA 0.837 57.033 56.400 -0.341 0.000 0.810 103 E CB -0.424 29.107 29.700 -0.282 0.000 0.742 103 E HN 0.413 nan 8.360 nan 0.000 0.466 104 R N 0.482 120.942 120.500 -0.066 0.000 2.249 104 R HA -0.090 4.250 4.340 -0.000 0.000 0.230 104 R C 1.318 177.613 176.300 -0.009 0.000 1.121 104 R CA 1.469 57.558 56.100 -0.019 0.000 0.997 104 R CB -0.384 29.920 30.300 0.007 0.000 0.867 104 R HN 0.121 nan 8.270 nan 0.000 0.465 105 C N 0.560 119.848 119.300 -0.020 0.000 2.884 105 C HA 0.444 4.904 4.460 -0.000 0.000 0.287 105 C C 1.296 176.280 174.990 -0.009 0.000 1.310 105 C CA 0.031 59.053 59.018 0.006 0.000 1.725 105 C CB -0.213 27.549 27.740 0.036 0.000 2.060 105 C HN 0.843 nan 8.230 nan 0.000 0.618 106 G N 1.451 110.215 108.800 -0.060 0.000 2.141 106 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.242 106 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.242 106 G C -0.109 174.760 174.900 -0.052 0.000 0.982 106 G CA -0.138 44.951 45.100 -0.018 0.000 0.662 106 G HN 0.565 nan 8.290 nan 0.000 0.527 107 I N 0.877 121.345 120.570 -0.171 0.000 2.304 107 I HA 0.487 4.657 4.170 -0.000 0.000 0.291 107 I C 0.109 176.055 176.117 -0.286 0.000 1.018 107 I CA -1.044 60.185 61.300 -0.118 0.000 1.260 107 I CB 0.640 38.602 38.000 -0.063 0.000 1.390 107 I HN 0.045 nan 8.210 nan 0.000 0.475 108 Y N 4.722 125.050 120.300 0.047 0.000 2.457 108 Y HA 0.548 5.098 4.550 -0.000 0.000 0.333 108 Y C 0.037 175.964 175.900 0.046 0.000 1.119 108 Y CA -0.584 57.549 58.100 0.055 0.000 1.143 108 Y CB 1.481 39.980 38.460 0.064 0.000 1.230 108 Y HN 0.452 nan 8.280 nan 0.000 0.469 109 Q N 0.126 120.032 119.800 0.176 0.000 2.331 109 Q HA 0.282 4.622 4.340 -0.000 0.000 0.272 109 Q C 0.029 176.096 176.000 0.112 0.000 1.062 109 Q CA -0.511 55.354 55.803 0.104 0.000 0.806 109 Q CB 2.242 30.995 28.738 0.024 0.000 1.312 109 Q HN 0.851 nan 8.270 nan 0.000 0.431 110 S N -0.128 115.646 115.700 0.124 0.000 2.425 110 S HA -0.016 4.453 4.470 -0.000 0.000 0.225 110 S C 1.252 175.876 174.600 0.040 0.000 1.024 110 S CA 0.713 58.983 58.200 0.117 0.000 0.951 110 S CB 0.223 63.562 63.200 0.231 0.000 0.796 110 S HN 0.398 nan 8.310 nan 0.000 0.498 111 V N 0.074 120.010 119.914 0.038 0.000 3.029 111 V HA 0.531 4.651 4.120 -0.000 0.000 0.230 111 V C 1.748 177.873 176.094 0.051 0.000 1.254 111 V CA 0.286 62.615 62.300 0.047 0.000 1.276 111 V CB -0.968 30.912 31.823 0.095 0.000 1.080 111 V HN 0.616 nan 8.190 nan 0.000 0.495 112 G N 2.297 111.125 108.800 0.048 0.000 2.147 112 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.244 112 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.244 112 G C 0.286 175.224 174.900 0.062 0.000 1.005 112 G CA 0.704 45.822 45.100 0.030 0.000 0.713 112 G HN 0.697 nan 8.290 nan 0.000 0.515 113 D N -1.850 118.613 120.400 0.105 0.000 2.469 113 D HA 0.203 4.843 4.640 -0.000 0.000 0.213 113 D C 1.377 177.749 176.300 0.120 0.000 1.135 113 D CA 1.255 55.332 54.000 0.128 0.000 0.834 113 D CB -0.026 40.884 40.800 0.183 0.000 1.009 113 D HN 0.264 nan 8.370 nan 0.000 0.507 114 T N -0.515 114.098 114.554 0.098 0.000 3.393 114 T HA 0.282 4.632 4.350 -0.000 0.000 0.231 114 T C 0.950 175.614 174.700 -0.060 0.000 0.983 114 T CA 1.185 63.327 62.100 0.071 0.000 1.272 114 T CB 0.329 69.333 68.868 0.227 0.000 1.214 114 T HN 0.115 nan 8.240 nan 0.000 0.368 115 V N -1.244 118.543 119.914 -0.210 0.000 3.344 115 V HA 0.955 5.075 4.120 -0.000 0.000 0.301 115 V C 0.778 176.773 176.094 -0.165 0.000 1.286 115 V CA -0.328 61.819 62.300 -0.255 0.000 1.028 115 V CB 0.331 31.809 31.823 -0.576 0.000 1.223 115 V HN 0.911 nan 8.190 nan 0.000 0.478 116 G N -0.031 108.673 108.800 -0.160 0.000 2.749 116 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.242 116 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.242 116 G C -1.570 173.270 174.900 -0.100 0.000 1.364 116 G CA 0.229 45.244 45.100 -0.142 0.000 0.888 116 G HN 0.821 nan 8.290 nan 0.000 0.566 117 P HA -0.068 nan 4.420 nan 0.000 0.215 117 P C 2.071 179.489 177.300 0.197 0.000 1.157 117 P CA 2.518 65.661 63.100 0.072 0.000 0.863 117 P CB -0.467 31.296 31.700 0.106 0.000 0.787 118 G N 0.034 108.891 108.800 0.094 0.000 2.421 118 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 118 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 118 G C 1.892 176.840 174.900 0.081 0.000 1.171 118 G CA 1.029 46.177 45.100 0.081 0.000 0.775 118 G HN 0.372 nan 8.290 nan 0.000 0.543 119 G N 1.107 109.938 108.800 0.051 0.000 2.418 119 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.217 119 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.217 119 G C 1.702 176.648 174.900 0.077 0.000 1.158 119 G CA 0.873 46.000 45.100 0.045 0.000 0.771 119 G HN 0.365 nan 8.290 nan 0.000 0.545 120 I N 1.107 121.748 120.570 0.119 0.000 2.226 120 I HA -0.122 4.048 4.170 -0.000 0.000 0.245 120 I C 2.671 178.907 176.117 0.199 0.000 1.100 120 I CA 1.003 62.418 61.300 0.192 0.000 1.374 120 I CB -0.625 37.576 38.000 0.335 0.000 1.057 120 I HN 0.110 nan 8.210 nan 0.000 0.413 121 I N 0.548 121.235 120.570 0.194 0.000 2.286 121 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 121 I C 2.685 178.850 176.117 0.079 0.000 1.104 121 I CA 1.155 62.523 61.300 0.114 0.000 1.397 121 I CB -1.145 36.900 38.000 0.075 0.000 1.072 121 I HN 0.299 nan 8.210 nan 0.000 0.417 122 R N 1.149 121.699 120.500 0.083 0.000 2.075 122 R HA -0.125 4.215 4.340 -0.000 0.000 0.232 122 R C 2.399 178.742 176.300 0.070 0.000 1.126 122 R CA 1.581 57.726 56.100 0.075 0.000 0.963 122 R CB -0.495 29.852 30.300 0.078 0.000 0.858 122 R HN 0.359 nan 8.270 nan 0.000 0.435 123 G N 1.683 110.522 108.800 0.065 0.000 2.476 123 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 123 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 123 G C 1.291 176.228 174.900 0.063 0.000 1.164 123 G CA 0.567 45.696 45.100 0.048 0.000 0.768 123 G HN 0.171 nan 8.290 nan 0.000 0.560 124 L N 0.461 121.733 121.223 0.081 0.000 2.042 124 L HA -0.006 4.334 4.340 -0.000 0.000 0.210 124 L C 2.765 179.677 176.870 0.070 0.000 1.076 124 L CA 1.651 56.538 54.840 0.079 0.000 0.749 124 L CB -1.203 40.902 42.059 0.076 0.000 0.893 124 L HN 0.273 nan 8.230 nan 0.000 0.432 125 R N -0.587 119.954 120.500 0.068 0.000 2.073 125 R HA -0.123 4.217 4.340 -0.000 0.000 0.234 125 R C 2.218 178.585 176.300 0.111 0.000 1.134 125 R CA 1.486 57.631 56.100 0.075 0.000 0.952 125 R CB -0.164 30.179 30.300 0.071 0.000 0.850 125 R HN 0.334 nan 8.270 nan 0.000 0.433 126 A N -0.065 122.828 122.820 0.122 0.000 2.015 126 A HA -0.060 4.260 4.320 -0.000 0.000 0.219 126 A C 2.199 179.919 177.584 0.227 0.000 1.163 126 A CA 1.181 53.337 52.037 0.197 0.000 0.646 126 A CB -0.397 18.666 19.000 0.104 0.000 0.806 126 A HN 0.211 nan 8.150 nan 0.000 0.448 127 V N 1.252 121.244 119.914 0.131 0.000 2.231 127 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 127 V C -0.071 176.120 176.094 0.161 0.000 1.054 127 V CA 2.714 65.090 62.300 0.127 0.000 1.015 127 V CB -1.464 30.409 31.823 0.084 0.000 0.638 127 V HN 0.466 nan 8.190 nan 0.000 0.444 128 P HA -0.111 nan 4.420 nan 0.000 0.220 128 P C 1.763 179.132 177.300 0.115 0.000 1.148 128 P CA 1.530 64.693 63.100 0.105 0.000 0.803 128 P CB -0.062 31.684 31.700 0.077 0.000 0.782 129 I N -1.964 118.699 120.570 0.156 0.000 2.252 129 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 129 I C 2.294 178.435 176.117 0.040 0.000 1.102 129 I CA 1.429 62.791 61.300 0.103 0.000 1.385 129 I CB -0.644 37.437 38.000 0.135 0.000 1.064 129 I HN -0.186 nan 8.210 nan 0.000 0.414 130 F N 0.821 120.794 119.950 0.038 0.000 2.259 130 F HA -0.071 4.456 4.527 -0.000 0.000 0.298 130 F C 2.604 178.417 175.800 0.020 0.000 1.088 130 F CA 0.958 58.975 58.000 0.027 0.000 1.358 130 F CB -0.413 38.602 39.000 0.025 0.000 1.040 130 F HN -0.026 nan 8.300 nan 0.000 0.505 131 A N 0.012 122.938 122.820 0.177 0.000 1.883 131 A HA -0.285 4.035 4.320 -0.000 0.000 0.217 131 A C 2.137 179.745 177.584 0.040 0.000 1.186 131 A CA 2.086 54.182 52.037 0.097 0.000 0.624 131 A CB -0.895 18.153 19.000 0.081 0.000 0.822 131 A HN 0.452 nan 8.150 nan 0.000 0.444 132 E N -0.394 119.820 120.200 0.023 0.000 2.106 132 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 132 E C 1.856 178.428 176.600 -0.047 0.000 0.984 132 E CA 1.137 57.529 56.400 -0.012 0.000 0.806 132 E CB -0.206 29.492 29.700 -0.004 0.000 0.750 132 E HN 0.674 nan 8.360 nan 0.000 0.458 133 I N 0.836 121.357 120.570 -0.082 0.000 2.252 133 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 133 I C 2.535 178.612 176.117 -0.067 0.000 1.102 133 I CA 0.925 62.152 61.300 -0.122 0.000 1.385 133 I CB -0.241 37.596 38.000 -0.272 0.000 1.064 133 I HN 0.179 nan 8.210 nan 0.000 0.414 134 A N 0.800 123.610 122.820 -0.017 0.000 1.902 134 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 134 A C 2.388 179.943 177.584 -0.049 0.000 1.181 134 A CA 1.353 53.409 52.037 0.031 0.000 0.623 134 A CB -0.513 18.542 19.000 0.091 0.000 0.818 134 A HN 0.293 nan 8.150 nan 0.000 0.443 135 R N -0.560 119.888 120.500 -0.087 0.000 2.081 135 R HA -0.102 4.238 4.340 -0.000 0.000 0.235 135 R C 2.499 178.647 176.300 -0.253 0.000 1.131 135 R CA 1.247 57.239 56.100 -0.179 0.000 0.960 135 R CB -0.479 29.746 30.300 -0.126 0.000 0.856 135 R HN 0.517 nan 8.270 nan 0.000 0.436 136 A N 1.271 123.994 122.820 -0.162 0.000 1.902 136 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 136 A C 2.152 179.644 177.584 -0.154 0.000 1.181 136 A CA 1.199 53.156 52.037 -0.134 0.000 0.623 136 A CB -0.468 18.548 19.000 0.026 0.000 0.818 136 A HN 0.183 nan 8.150 nan 0.000 0.443 137 I N -1.091 119.417 120.570 -0.104 0.000 2.286 137 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 137 I C 2.709 178.713 176.117 -0.188 0.000 1.115 137 I CA 1.536 62.800 61.300 -0.059 0.000 1.392 137 I CB -0.334 37.681 38.000 0.025 0.000 1.065 137 I HN 0.388 nan 8.210 nan 0.000 0.418 138 R N 1.061 121.287 120.500 -0.457 0.000 2.073 138 R HA -0.196 4.144 4.340 -0.000 0.000 0.234 138 R C 1.773 177.716 176.300 -0.594 0.000 1.134 138 R CA 2.055 57.583 56.100 -0.954 0.000 0.952 138 R CB -0.111 29.459 30.300 -1.217 0.000 0.850 138 R HN 0.274 nan 8.270 nan 0.000 0.433 139 D N -0.952 119.089 120.400 -0.597 0.000 2.149 139 D HA -0.128 4.512 4.640 -0.000 0.000 0.201 139 D C 0.952 176.870 176.300 -0.636 0.000 0.972 139 D CA 1.310 54.874 54.000 -0.726 0.000 0.835 139 D CB 0.058 40.190 40.800 -1.113 0.000 0.966 139 D HN 0.383 nan 8.370 nan 0.000 0.476 140 Y N -1.096 119.130 120.300 -0.124 0.000 2.426 140 Y HA 0.563 5.113 4.550 -0.000 0.000 0.249 140 Y C 0.763 176.625 175.900 -0.063 0.000 1.103 140 Y CA -0.449 57.600 58.100 -0.085 0.000 1.256 140 Y CB 0.756 39.168 38.460 -0.081 0.000 1.208 140 Y HN -0.099 nan 8.280 nan 0.000 0.519 141 A N 0.267 123.114 122.820 0.045 0.000 3.214 141 A HA 0.340 4.660 4.320 -0.000 0.000 0.203 141 A C -1.981 175.617 177.584 0.023 0.000 0.960 141 A CA -0.579 51.480 52.037 0.038 0.000 1.113 141 A CB -0.072 18.959 19.000 0.052 0.000 1.280 141 A HN -0.042 nan 8.150 nan 0.000 0.573 142 P HA -0.182 nan 4.420 nan 0.000 0.218 142 P C 0.616 177.953 177.300 0.062 0.000 1.146 142 P CA 1.354 64.516 63.100 0.103 0.000 0.813 142 P CB 0.363 32.087 31.700 0.040 0.000 0.778 143 E N 0.027 120.224 120.200 -0.005 0.000 2.474 143 E HA 0.037 4.387 4.350 -0.000 0.000 0.194 143 E C 0.958 177.488 176.600 -0.117 0.000 1.041 143 E CA 0.138 56.498 56.400 -0.067 0.000 0.874 143 E CB -0.191 29.495 29.700 -0.023 0.000 0.914 143 E HN 0.348 nan 8.360 nan 0.000 0.498 144 S N -0.056 115.603 115.700 -0.068 0.000 2.579 144 S HA 0.114 4.584 4.470 -0.000 0.000 0.275 144 S C -0.116 174.392 174.600 -0.154 0.000 1.345 144 S CA -0.590 57.590 58.200 -0.032 0.000 1.031 144 S CB 0.541 63.752 63.200 0.019 0.000 0.892 144 S HN 0.101 nan 8.310 nan 0.000 0.529 145 W N 1.160 122.452 121.300 -0.013 0.000 2.315 145 W HA 0.524 5.183 4.660 -0.000 0.000 0.316 145 W C -0.691 175.799 176.519 -0.048 0.000 1.211 145 W CA -0.641 56.682 57.345 -0.036 0.000 1.201 145 W CB 1.095 30.535 29.460 -0.033 0.000 1.184 145 W HN 0.479 nan 8.180 nan 0.000 0.544 146 V N 5.990 125.993 119.914 0.148 0.000 2.417 146 V HA 0.410 4.530 4.120 -0.000 0.000 0.291 146 V C -0.157 175.954 176.094 0.028 0.000 1.024 146 V CA -0.995 61.327 62.300 0.036 0.000 0.861 146 V CB 1.129 32.923 31.823 -0.047 0.000 0.985 146 V HN 0.296 nan 8.190 nan 0.000 0.436 147 I N 4.226 124.760 120.570 -0.060 0.000 2.354 147 I HA 0.383 4.552 4.170 -0.000 0.000 0.286 147 I C -0.201 175.717 176.117 -0.333 0.000 1.007 147 I CA -0.392 60.785 61.300 -0.205 0.000 1.167 147 I CB 1.499 39.347 38.000 -0.254 0.000 1.320 147 I HN 0.569 nan 8.210 nan 0.000 0.458 148 N N 4.748 123.257 118.700 -0.318 0.000 2.426 148 N HA 0.254 4.994 4.740 -0.000 0.000 0.275 148 N C -0.294 174.918 175.510 -0.497 0.000 1.019 148 N CA -0.027 52.868 53.050 -0.258 0.000 0.941 148 N CB 0.760 39.218 38.487 -0.048 0.000 1.123 148 N HN 0.355 nan 8.380 nan 0.000 0.486 149 Y N 0.475 120.609 120.300 -0.276 0.000 2.442 149 Y HA 0.241 4.791 4.550 -0.000 0.000 0.250 149 Y C 0.639 176.416 175.900 -0.205 0.000 1.113 149 Y CA -0.127 57.687 58.100 -0.478 0.000 1.273 149 Y CB 0.182 37.968 38.460 -1.123 0.000 1.138 149 Y HN 0.360 nan 8.280 nan 0.000 0.522 150 T N 2.510 117.118 114.554 0.091 0.000 2.930 150 T HA 0.073 4.423 4.350 -0.000 0.000 0.306 150 T C 0.021 174.745 174.700 0.040 0.000 1.045 150 T CA -0.270 61.927 62.100 0.162 0.000 1.134 150 T CB 0.307 69.385 68.868 0.349 0.000 0.961 150 T HN 0.101 nan 8.240 nan 0.000 0.545 151 N N 3.496 122.249 118.700 0.088 0.000 2.456 151 N HA 0.439 5.179 4.740 -0.000 0.000 0.296 151 N C -2.460 173.067 175.510 0.029 0.000 1.102 151 N CA -1.771 51.301 53.050 0.037 0.000 0.924 151 N CB 1.469 40.029 38.487 0.123 0.000 1.186 151 N HN 0.319 nan 8.380 nan 0.000 0.492 155 V N 2.180 122.046 119.914 -0.081 0.000 2.343 155 V HA -0.218 3.902 4.120 -0.000 0.000 0.247 155 V C 2.391 178.386 176.094 -0.165 0.000 1.051 155 V CA 2.293 64.543 62.300 -0.083 0.000 1.036 155 V CB -0.770 31.018 31.823 -0.058 0.000 0.654 155 V HN 0.726 nan 8.190 nan 0.000 0.451 156 C N -0.191 118.918 119.300 -0.319 0.000 2.432 156 C HA -0.168 4.292 4.460 -0.000 0.000 0.277 156 C C 2.999 177.746 174.990 -0.405 0.000 1.249 156 C CA 1.816 60.422 59.018 -0.685 0.000 1.725 156 C CB -1.278 25.802 27.740 -1.100 0.000 2.028 156 C HN 0.639 nan 8.230 nan 0.000 0.477 157 T N 0.366 114.796 114.554 -0.206 0.000 2.777 157 T HA -0.182 4.168 4.350 -0.000 0.000 0.266 157 T C 1.938 176.697 174.700 0.099 0.000 1.040 157 T CA 1.588 63.676 62.100 -0.020 0.000 1.141 157 T CB -0.321 68.548 68.868 0.002 0.000 0.868 157 T HN 0.416 nan 8.240 nan 0.000 0.444 158 R N 1.235 121.764 120.500 0.049 0.000 2.096 158 R HA -0.074 4.266 4.340 -0.000 0.000 0.240 158 R C 2.212 178.579 176.300 0.112 0.000 1.139 158 R CA 1.345 57.499 56.100 0.090 0.000 0.952 158 R CB -1.201 29.114 30.300 0.024 0.000 0.854 158 R HN 0.272 nan 8.270 nan 0.000 0.436 159 V N 0.920 120.869 119.914 0.058 0.000 2.392 159 V HA -0.269 3.851 4.120 -0.000 0.000 0.249 159 V C 2.344 178.507 176.094 0.115 0.000 1.059 159 V CA 1.973 64.323 62.300 0.084 0.000 1.051 159 V CB -0.518 31.354 31.823 0.082 0.000 0.658 159 V HN 0.321 nan 8.190 nan 0.000 0.455 160 L N -1.560 119.730 121.223 0.112 0.000 2.012 160 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 160 L C 2.493 179.329 176.870 -0.058 0.000 1.073 160 L CA 2.082 56.946 54.840 0.040 0.000 0.748 160 L CB -0.677 41.362 42.059 -0.033 0.000 0.891 160 L HN 0.312 nan 8.230 nan 0.000 0.431 161 Y N -0.027 120.271 120.300 -0.003 0.000 2.263 161 Y HA -0.165 4.385 4.550 -0.000 0.000 0.292 161 Y C 2.614 178.512 175.900 -0.003 0.000 1.130 161 Y CA 1.111 59.186 58.100 -0.042 0.000 1.179 161 Y CB -0.116 38.309 38.460 -0.059 0.000 0.998 161 Y HN 0.036 nan 8.280 nan 0.000 0.532 162 K N -0.509 119.988 120.400 0.162 0.000 2.057 162 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 162 K C 1.868 178.527 176.600 0.098 0.000 1.049 162 K CA 1.667 58.019 56.287 0.108 0.000 0.931 162 K CB -0.326 32.224 32.500 0.083 0.000 0.714 162 K HN 0.120 nan 8.250 nan 0.000 0.440 163 V N 0.175 120.152 119.914 0.104 0.000 2.649 163 V HA -0.068 4.052 4.120 -0.000 0.000 0.248 163 V C 0.502 176.690 176.094 0.157 0.000 1.054 163 V CA 0.824 63.184 62.300 0.100 0.000 1.073 163 V CB -0.131 31.744 31.823 0.086 0.000 0.699 163 V HN 0.197 nan 8.190 nan 0.000 0.463 164 F N 1.631 121.552 119.950 -0.049 0.000 2.691 164 F HA 0.543 5.070 4.527 0.000 0.000 0.371 164 F C -2.522 173.227 175.800 -0.085 0.000 1.159 164 F CA -3.551 54.398 58.000 -0.085 0.000 1.174 164 F CB 1.510 40.431 39.000 -0.132 0.000 1.419 164 F HN 0.020 nan 8.300 nan 0.000 0.514 165 P HA -0.045 nan 4.420 nan 0.000 0.218 165 P C 1.527 178.721 177.300 -0.177 0.000 1.148 165 P CA 1.652 64.757 63.100 0.008 0.000 0.822 165 P CB 0.267 32.007 31.700 0.067 0.000 0.784 166 G N -1.265 107.297 108.800 -0.398 0.000 3.088 166 G HA2 0.018 3.978 3.960 -0.000 0.000 0.212 166 G HA3 0.018 3.978 3.960 -0.000 0.000 0.212 166 G C 0.513 174.808 174.900 -1.008 0.000 1.173 166 G CA -0.316 44.490 45.100 -0.491 0.000 0.779 166 G HN 0.266 nan 8.290 nan 0.000 0.540 167 I N 0.299 119.882 120.570 -1.646 0.000 2.872 167 I HA 0.098 4.268 4.170 -0.000 0.000 0.291 167 I C -0.170 175.432 176.117 -0.858 0.000 1.216 167 I CA 0.157 60.591 61.300 -1.443 0.000 1.424 167 I CB 0.621 37.923 38.000 -1.162 0.000 1.351 167 I HN -0.041 nan 8.210 nan 0.000 0.592 168 K N 7.044 126.994 120.400 -0.749 0.000 2.357 168 K HA 0.596 4.916 4.320 -0.000 0.000 0.251 168 K C -1.021 175.280 176.600 -0.498 0.000 1.069 168 K CA -0.303 55.472 56.287 -0.854 0.000 0.994 168 K CB 1.324 32.881 32.500 -1.571 0.000 1.411 168 K HN 0.581 nan 8.250 nan 0.000 0.450 169 A N 3.400 126.120 122.820 -0.168 0.000 2.422 169 A HA 0.766 5.086 4.320 -0.000 0.000 0.302 169 A C -0.739 176.978 177.584 0.221 0.000 1.041 169 A CA -0.891 51.146 52.037 -0.001 0.000 0.708 169 A CB 0.848 19.712 19.000 -0.228 0.000 1.257 169 A HN 0.754 nan 8.150 nan 0.000 0.414 170 I N -0.614 120.048 120.570 0.154 0.000 2.892 170 I HA 0.943 5.113 4.170 -0.000 0.000 0.306 170 I C 0.097 176.183 176.117 -0.051 0.000 1.078 170 I CA -1.105 60.244 61.300 0.081 0.000 1.032 170 I CB 2.427 40.459 38.000 0.052 0.000 1.229 170 I HN 0.672 nan 8.210 nan 0.000 0.435 171 G N 2.649 111.396 108.800 -0.088 0.000 2.379 171 G HA2 0.599 4.559 3.960 -0.000 0.000 0.327 171 G HA3 0.599 4.559 3.960 -0.000 0.000 0.327 171 G C -1.220 173.538 174.900 -0.237 0.000 1.145 171 G CA -0.435 44.552 45.100 -0.189 0.000 0.905 171 G HN 0.772 nan 8.290 nan 0.000 0.466 172 C N 0.835 119.905 119.300 -0.384 0.000 2.455 172 C HA 0.783 5.243 4.460 -0.000 0.000 0.320 172 C C 0.104 174.962 174.990 -0.220 0.000 1.226 172 C CA -0.788 58.045 59.018 -0.309 0.000 1.569 172 C CB 0.493 28.005 27.740 -0.381 0.000 2.200 172 C HN 0.922 nan 8.230 nan 0.000 0.491 173 C N 3.673 122.899 119.300 -0.123 0.000 2.994 173 C HA 0.594 5.054 4.460 -0.000 0.000 0.305 173 C C 1.007 175.910 174.990 -0.145 0.000 1.251 173 C CA -0.472 58.486 59.018 -0.100 0.000 1.478 173 C CB 0.789 28.422 27.740 -0.179 0.000 1.922 173 C HN 1.101 nan 8.230 nan 0.000 0.472 174 H N 1.385 120.477 119.070 0.037 0.000 2.586 174 H HA 0.205 4.761 4.556 -0.000 0.000 0.273 174 H C 0.886 176.034 175.328 -0.301 0.000 0.997 174 H CA 0.151 56.070 56.048 -0.216 0.000 1.177 174 H CB 0.217 30.161 29.762 0.304 0.000 1.471 174 H HN 0.666 nan 8.280 nan 0.000 0.538 175 E N 1.701 121.915 120.200 0.024 0.000 2.085 175 E HA -0.102 4.248 4.350 -0.000 0.000 0.194 175 E C 2.402 178.977 176.600 -0.040 0.000 0.994 175 E CA 0.962 57.414 56.400 0.087 0.000 0.801 175 E CB -0.041 29.699 29.700 0.066 0.000 0.743 175 E HN 0.357 nan 8.360 nan 0.000 0.453 176 V N 1.260 121.051 119.914 -0.206 0.000 2.490 176 V HA -0.232 3.888 4.120 -0.000 0.000 0.250 176 V C 2.076 178.174 176.094 0.007 0.000 1.061 176 V CA 1.375 63.590 62.300 -0.142 0.000 1.064 176 V CB -0.716 31.010 31.823 -0.161 0.000 0.670 176 V HN 0.088 nan 8.190 nan 0.000 0.461 177 F N 1.748 121.750 119.950 0.086 0.000 2.126 177 F HA -0.064 4.463 4.527 -0.000 0.000 0.299 177 F C 2.485 178.311 175.800 0.043 0.000 1.096 177 F CA 1.048 59.086 58.000 0.064 0.000 1.255 177 F CB -1.795 37.254 39.000 0.082 0.000 0.997 177 F HN 0.219 nan 8.300 nan 0.000 0.479 178 G N -0.775 108.153 108.800 0.214 0.000 2.442 178 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.219 178 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.219 178 G C 1.680 176.648 174.900 0.113 0.000 1.141 178 G CA 1.605 46.794 45.100 0.148 0.000 0.763 178 G HN 0.370 nan 8.290 nan 0.000 0.554 179 T N 0.483 115.079 114.554 0.071 0.000 2.942 179 T HA -0.032 4.318 4.350 -0.000 0.000 0.265 179 T C 2.408 177.109 174.700 0.002 0.000 1.062 179 T CA 1.136 63.245 62.100 0.015 0.000 1.139 179 T CB -0.102 68.735 68.868 -0.051 0.000 0.883 179 T HN 0.361 nan 8.240 nan 0.000 0.468 180 Q N 0.882 120.708 119.800 0.044 0.000 2.124 180 Q HA -0.069 4.271 4.340 -0.000 0.000 0.202 180 Q C 2.322 178.325 176.000 0.006 0.000 0.977 180 Q CA 1.134 56.956 55.803 0.032 0.000 0.850 180 Q CB -0.111 28.680 28.738 0.090 0.000 0.901 180 Q HN 0.486 nan 8.270 nan 0.000 0.429 181 K N 0.379 120.799 120.400 0.033 0.000 2.057 181 K HA -0.168 4.152 4.320 -0.000 0.000 0.207 181 K C 2.089 178.676 176.600 -0.021 0.000 1.049 181 K CA 0.965 57.260 56.287 0.013 0.000 0.931 181 K CB -0.247 32.282 32.500 0.050 0.000 0.714 181 K HN 0.080 nan 8.250 nan 0.000 0.440 182 L N 1.682 122.892 121.223 -0.022 0.000 2.012 182 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 182 L C 1.937 178.701 176.870 -0.177 0.000 1.073 182 L CA 1.635 56.416 54.840 -0.098 0.000 0.748 182 L CB -0.417 41.546 42.059 -0.160 0.000 0.891 182 L HN 0.132 nan 8.230 nan 0.000 0.431 183 L N -0.811 120.328 121.223 -0.139 0.000 2.093 183 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 183 L C 2.651 179.391 176.870 -0.218 0.000 1.085 183 L CA 1.025 55.755 54.840 -0.183 0.000 0.755 183 L CB -0.878 41.115 42.059 -0.109 0.000 0.904 183 L HN 0.406 nan 8.230 nan 0.000 0.435 184 A N -0.391 122.330 122.820 -0.166 0.000 1.877 184 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 184 A C 1.319 178.781 177.584 -0.202 0.000 1.186 184 A CA 0.917 52.837 52.037 -0.194 0.000 0.620 184 A CB -0.355 18.563 19.000 -0.136 0.000 0.822 184 A HN 0.377 nan 8.150 nan 0.000 0.443 188 T N 0.261 114.712 114.554 -0.173 0.000 2.708 188 T HA -0.210 4.140 4.350 -0.000 0.000 0.266 188 T C 1.601 176.266 174.700 -0.058 0.000 1.037 188 T CA 2.253 64.291 62.100 -0.103 0.000 1.146 188 T CB -0.060 68.758 68.868 -0.082 0.000 0.865 188 T HN 0.566 nan 8.240 nan 0.000 0.435 189 E N 0.471 120.637 120.200 -0.056 0.000 2.072 189 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 189 E C 2.229 178.829 176.600 -0.001 0.000 0.985 189 E CA 0.752 57.158 56.400 0.010 0.000 0.801 189 E CB 0.167 29.917 29.700 0.083 0.000 0.750 189 E HN 0.179 nan 8.360 nan 0.000 0.452 190 R N -0.373 120.095 120.500 -0.053 0.000 2.210 190 R HA 0.123 4.463 4.340 -0.000 0.000 0.203 190 R C 1.924 178.204 176.300 -0.033 0.000 1.010 190 R CA 0.371 56.448 56.100 -0.038 0.000 1.008 190 R CB 0.081 30.339 30.300 -0.070 0.000 0.923 190 R HN 0.273 nan 8.270 nan 0.000 0.469 191 L N -1.445 119.752 121.223 -0.043 0.000 2.878 191 L HA 0.295 4.635 4.340 -0.000 0.000 0.253 191 L C 1.094 177.957 176.870 -0.013 0.000 1.135 191 L CA 0.422 55.248 54.840 -0.024 0.000 0.943 191 L CB 0.451 42.493 42.059 -0.029 0.000 1.307 191 L HN 0.304 nan 8.230 nan 0.000 0.545 192 G N 2.001 110.789 108.800 -0.020 0.000 2.257 192 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.267 192 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.267 192 G C 0.519 175.412 174.900 -0.013 0.000 0.984 192 G CA 0.746 45.841 45.100 -0.009 0.000 0.626 192 G HN 0.472 nan 8.290 nan 0.000 0.540 193 I N -1.292 119.266 120.570 -0.020 0.000 2.472 193 I HA 0.703 4.873 4.170 -0.000 0.000 0.290 193 I C 0.104 176.183 176.117 -0.063 0.000 1.016 193 I CA -1.020 60.274 61.300 -0.009 0.000 1.348 193 I CB 1.037 39.061 38.000 0.040 0.000 1.417 193 I HN -0.058 nan 8.210 nan 0.000 0.521 194 E N 5.083 125.259 120.200 -0.041 0.000 2.349 194 E HA 0.440 4.790 4.350 -0.000 0.000 0.262 194 E C -0.833 175.675 176.600 -0.153 0.000 1.088 194 E CA -0.665 55.688 56.400 -0.078 0.000 0.899 194 E CB 2.316 32.000 29.700 -0.027 0.000 1.044 194 E HN 0.530 nan 8.360 nan 0.000 0.420 195 V N 3.068 122.869 119.914 -0.189 0.000 2.447 195 V HA 0.121 4.241 4.120 -0.000 0.000 0.292 195 V C -1.692 174.351 176.094 -0.084 0.000 1.021 195 V CA -1.173 60.974 62.300 -0.254 0.000 0.850 195 V CB 1.513 33.081 31.823 -0.424 0.000 1.005 195 V HN 0.527 nan 8.190 nan 0.000 0.426 196 P HA 0.038 nan 4.420 nan 0.000 0.217 196 P C 0.149 177.451 177.300 0.002 0.000 1.150 196 P CA 0.925 64.035 63.100 0.017 0.000 0.832 196 P CB 0.266 31.997 31.700 0.052 0.000 0.787 197 R N -1.836 118.668 120.500 0.007 0.000 2.584 197 R HA 0.242 4.582 4.340 -0.000 0.000 0.276 197 R C 0.867 177.162 176.300 -0.009 0.000 1.046 197 R CA -0.738 55.360 56.100 -0.004 0.000 0.906 197 R CB 1.299 31.603 30.300 0.007 0.000 1.215 197 R HN -0.172 nan 8.270 nan 0.000 0.449 198 R N 0.988 121.472 120.500 -0.026 0.000 2.159 198 R HA -0.145 4.194 4.340 -0.000 0.000 0.237 198 R C 0.488 176.791 176.300 0.004 0.000 1.131 198 R CA 1.727 57.816 56.100 -0.018 0.000 0.982 198 R CB -0.243 30.049 30.300 -0.013 0.000 0.868 198 R HN 0.583 nan 8.270 nan 0.000 0.453 199 E N 0.900 121.095 120.200 -0.007 0.000 2.268 199 E HA -0.122 4.228 4.350 -0.000 0.000 0.195 199 E C 1.014 177.644 176.600 0.050 0.000 0.995 199 E CA 1.225 57.631 56.400 0.011 0.000 0.836 199 E CB -0.120 29.571 29.700 -0.015 0.000 0.763 199 E HN 0.421 nan 8.360 nan 0.000 0.491 200 D N 0.186 120.633 120.400 0.079 0.000 2.348 200 D HA -0.069 4.571 4.640 -0.000 0.000 0.216 200 D C 0.118 176.531 176.300 0.190 0.000 0.970 200 D CA 0.509 54.599 54.000 0.150 0.000 0.889 200 D CB 0.116 41.081 40.800 0.275 0.000 0.912 200 D HN 0.147 nan 8.370 nan 0.000 0.524 201 I N 2.351 122.991 120.570 0.117 0.000 2.329 201 I HA 0.071 4.241 4.170 -0.000 0.000 0.295 201 I C 0.554 176.712 176.117 0.068 0.000 1.109 201 I CA 0.009 61.363 61.300 0.091 0.000 1.297 201 I CB -0.096 37.919 38.000 0.026 0.000 1.433 201 I HN -0.336 nan 8.210 nan 0.000 0.509 202 R N 6.056 126.595 120.500 0.064 0.000 2.204 202 R HA 0.478 4.818 4.340 -0.000 0.000 0.341 202 R C -0.427 175.891 176.300 0.029 0.000 1.035 202 R CA -0.518 55.608 56.100 0.043 0.000 0.887 202 R CB 1.596 31.915 30.300 0.032 0.000 1.114 202 R HN 0.488 nan 8.270 nan 0.000 0.473 203 V N 0.245 120.176 119.914 0.028 0.000 2.513 203 V HA 0.396 4.516 4.120 -0.000 0.000 0.299 203 V C -0.207 175.895 176.094 0.013 0.000 1.035 203 V CA -1.228 61.079 62.300 0.012 0.000 0.889 203 V CB 1.943 33.767 31.823 0.002 0.000 0.988 203 V HN 0.562 nan 8.190 nan 0.000 0.440 204 N N 3.158 121.863 118.700 0.007 0.000 2.439 204 N HA 0.419 5.159 4.740 -0.000 0.000 0.243 204 N C -0.848 174.664 175.510 0.004 0.000 1.088 204 N CA -0.079 52.975 53.050 0.007 0.000 0.940 204 N CB 1.253 39.744 38.487 0.007 0.000 1.180 204 N HN 0.839 nan 8.380 nan 0.000 0.505 205 V N 5.876 125.790 119.914 0.001 0.000 2.581 205 V HA 0.784 4.904 4.120 -0.000 0.000 0.303 205 V C -0.742 175.347 176.094 -0.007 0.000 1.041 205 V CA -0.593 61.701 62.300 -0.009 0.000 0.907 205 V CB 1.001 32.810 31.823 -0.025 0.000 0.994 205 V HN 0.616 nan 8.190 nan 0.000 0.442 206 L N 4.681 125.905 121.223 0.002 0.000 2.710 206 L HA 1.107 5.447 4.340 -0.000 0.000 0.260 206 L C -0.353 176.533 176.870 0.026 0.000 0.993 206 L CA 0.013 54.854 54.840 0.001 0.000 0.877 206 L CB 1.533 43.588 42.059 -0.005 0.000 1.461 206 L HN 1.184 nan 8.230 nan 0.000 0.413 207 G N 0.759 109.566 108.800 0.011 0.000 2.288 207 G HA2 0.221 4.181 3.960 -0.000 0.000 0.227 207 G HA3 0.221 4.181 3.960 -0.000 0.000 0.227 207 G C -1.496 173.417 174.900 0.023 0.000 1.339 207 G CA -0.301 44.823 45.100 0.040 0.000 1.057 207 G HN 1.327 nan 8.290 nan 0.000 0.470 208 I N -1.835 118.762 120.570 0.045 0.000 2.957 208 I HA 0.756 4.926 4.170 -0.000 0.000 0.310 208 I C -0.030 176.059 176.117 -0.047 0.000 1.063 208 I CA -1.215 60.095 61.300 0.017 0.000 1.033 208 I CB 2.002 40.051 38.000 0.081 0.000 1.230 208 I HN 0.534 nan 8.210 nan 0.000 0.447 209 N N 1.682 120.329 118.700 -0.088 0.000 2.412 209 N HA -0.006 4.734 4.740 -0.000 0.000 0.254 209 N C 0.174 175.589 175.510 -0.158 0.000 1.232 209 N CA 0.993 53.922 53.050 -0.201 0.000 0.880 209 N CB -0.319 37.977 38.487 -0.317 0.000 1.076 209 N HN 0.895 nan 8.380 nan 0.000 0.458 210 H N 0.445 119.428 119.070 -0.145 0.000 3.631 210 H HA -0.250 4.306 4.556 -0.000 0.000 0.202 210 H C -0.772 174.360 175.328 -0.327 0.000 1.029 210 H CA 0.959 56.913 56.048 -0.156 0.000 1.208 210 H CB -1.310 28.466 29.762 0.022 0.000 1.124 210 H HN 0.446 nan 8.280 nan 0.000 0.329 211 F N 2.016 121.621 119.950 -0.575 0.000 2.577 211 F HA 0.244 4.771 4.527 0.000 0.000 0.359 211 F C 0.052 175.666 175.800 -0.310 0.000 1.535 211 F CA 0.186 57.747 58.000 -0.732 0.000 1.093 211 F CB 0.411 38.570 39.000 -1.402 0.000 1.613 211 F HN 0.037 nan 8.300 nan 0.000 0.558 212 T N -2.275 112.010 114.554 -0.448 0.000 2.929 212 T HA 0.653 5.002 4.350 -0.000 0.000 0.284 212 T C -0.900 173.439 174.700 -0.601 0.000 1.014 212 T CA -0.346 61.574 62.100 -0.300 0.000 1.051 212 T CB 1.585 70.328 68.868 -0.209 0.000 1.028 212 T HN 0.252 nan 8.240 nan 0.000 0.485 213 W N 0.492 121.623 121.300 -0.282 0.000 2.936 213 W HA 0.675 5.335 4.660 -0.000 0.000 0.338 213 W C -0.902 175.518 176.519 -0.165 0.000 1.121 213 W CA -1.225 55.971 57.345 -0.249 0.000 1.209 213 W CB 1.484 30.767 29.460 -0.295 0.000 1.420 213 W HN 0.603 nan 8.180 nan 0.000 0.516 214 I N 2.464 123.059 120.570 0.042 0.000 2.355 214 I HA 0.203 4.373 4.170 -0.000 0.000 0.288 214 I C 1.009 177.153 176.117 0.043 0.000 0.999 214 I CA -0.288 61.013 61.300 0.002 0.000 1.163 214 I CB 1.723 39.676 38.000 -0.077 0.000 1.316 214 I HN 0.639 nan 8.210 nan 0.000 0.454 215 T N 1.546 116.125 114.554 0.042 0.000 2.990 215 T HA 0.297 4.647 4.350 -0.000 0.000 0.250 215 T C 0.531 175.255 174.700 0.041 0.000 1.041 215 T CA 0.069 62.199 62.100 0.050 0.000 1.010 215 T CB 0.200 69.084 68.868 0.027 0.000 1.003 215 T HN 0.418 nan 8.240 nan 0.000 0.499 216 K N 0.572 120.986 120.400 0.024 0.000 2.498 216 K HA 0.809 5.128 4.320 -0.000 0.000 0.254 216 K C -1.594 175.012 176.600 0.009 0.000 0.933 216 K CA -0.930 55.370 56.287 0.022 0.000 0.806 216 K CB 2.693 35.203 32.500 0.018 0.000 1.301 216 K HN 0.212 nan 8.250 nan 0.000 0.432 217 A N 0.918 123.743 122.820 0.009 0.000 2.589 217 A HA 0.763 5.083 4.320 -0.000 0.000 0.296 217 A C -1.335 176.256 177.584 0.012 0.000 1.062 217 A CA -0.688 51.350 52.037 0.002 0.000 0.686 217 A CB 1.599 20.585 19.000 -0.024 0.000 1.282 217 A HN 0.730 nan 8.150 nan 0.000 0.404 218 S N 0.162 115.875 115.700 0.021 0.000 2.596 218 S HA 0.725 5.195 4.470 -0.000 0.000 0.270 218 S C -1.514 173.135 174.600 0.081 0.000 1.155 218 S CA -0.589 57.627 58.200 0.028 0.000 0.827 218 S CB 1.459 64.661 63.200 0.002 0.000 1.130 218 S HN 1.743 nan 8.310 nan 0.000 0.467 219 Y N 2.068 122.323 120.300 -0.076 0.000 2.338 219 Y HA 0.614 5.164 4.550 -0.000 0.000 0.328 219 Y C 0.720 176.564 175.900 -0.093 0.000 0.965 219 Y CA -0.486 57.569 58.100 -0.076 0.000 1.208 219 Y CB 0.616 39.022 38.460 -0.089 0.000 1.132 219 Y HN 1.127 nan 8.280 nan 0.000 0.469 220 R N 1.195 121.410 120.500 -0.475 0.000 3.793 220 R HA -0.341 3.999 4.340 -0.000 0.000 0.464 220 R C 1.370 177.576 176.300 -0.157 0.000 0.241 220 R CA 2.158 58.054 56.100 -0.340 0.000 1.464 220 R CB -1.242 28.789 30.300 -0.449 0.000 0.954 220 R HN 0.924 nan 8.270 nan 0.000 0.583 221 H N 1.674 120.658 119.070 -0.144 0.000 2.547 221 H HA 0.259 4.815 4.556 -0.000 0.000 0.266 221 H C 0.532 175.843 175.328 -0.029 0.000 0.988 221 H CA 0.567 56.574 56.048 -0.068 0.000 1.147 221 H CB -0.140 29.589 29.762 -0.056 0.000 1.365 221 H HN 0.273 nan 8.280 nan 0.000 0.589 222 I N 2.427 122.758 120.570 -0.398 0.000 2.331 222 I HA 0.024 4.194 4.170 -0.000 0.000 0.292 222 I C 0.097 176.170 176.117 -0.073 0.000 0.998 222 I CA -0.708 60.444 61.300 -0.246 0.000 1.267 222 I CB 1.415 39.267 38.000 -0.246 0.000 1.386 222 I HN -0.037 nan 8.210 nan 0.000 0.476 223 D N 6.465 126.848 120.400 -0.027 0.000 2.343 223 D HA 0.146 4.786 4.640 -0.000 0.000 0.255 223 D C 0.662 176.971 176.300 0.015 0.000 1.187 223 D CA 0.134 54.138 54.000 0.007 0.000 0.875 223 D CB 1.242 42.057 40.800 0.025 0.000 1.136 223 D HN 0.441 nan 8.370 nan 0.000 0.469 224 L N 3.539 124.774 121.223 0.020 0.000 2.446 224 L HA -0.004 4.336 4.340 -0.000 0.000 0.219 224 L C 2.100 179.003 176.870 0.056 0.000 1.116 224 L CA -0.071 54.781 54.840 0.020 0.000 0.844 224 L CB -0.004 42.055 42.059 0.000 0.000 0.970 224 L HN 0.385 nan 8.230 nan 0.000 0.457 225 L N 0.486 121.754 121.223 0.074 0.000 2.027 225 L HA -0.074 4.266 4.340 -0.000 0.000 0.206 225 L C -0.273 176.705 176.870 0.181 0.000 1.074 225 L CA 1.833 56.754 54.840 0.134 0.000 0.745 225 L CB -1.182 40.970 42.059 0.155 0.000 0.898 225 L HN 0.116 nan 8.230 nan 0.000 0.433 226 P HA -0.157 nan 4.420 nan 0.000 0.216 226 P C 1.807 179.170 177.300 0.105 0.000 1.150 226 P CA 1.538 64.716 63.100 0.131 0.000 0.837 226 P CB 0.006 31.760 31.700 0.090 0.000 0.786 227 I N -2.523 118.093 120.570 0.076 0.000 2.353 227 I HA -0.200 3.970 4.170 -0.000 0.000 0.248 227 I C 2.148 178.297 176.117 0.053 0.000 1.119 227 I CA 1.141 62.465 61.300 0.041 0.000 1.417 227 I CB -0.499 37.496 38.000 -0.008 0.000 1.078 227 I HN -0.134 nan 8.210 nan 0.000 0.421 228 F N 1.704 121.603 119.950 -0.086 0.000 2.293 228 F HA -0.149 4.378 4.527 -0.000 0.000 0.300 228 F C 2.623 178.305 175.800 -0.197 0.000 1.086 228 F CA 1.263 59.184 58.000 -0.131 0.000 1.375 228 F CB -0.180 38.664 39.000 -0.259 0.000 1.045 228 F HN -0.161 nan 8.300 nan 0.000 0.516 229 R N 0.506 121.026 120.500 0.033 0.000 2.073 229 R HA -0.180 4.160 4.340 -0.000 0.000 0.234 229 R C 2.169 178.489 176.300 0.034 0.000 1.134 229 R CA 2.162 58.331 56.100 0.115 0.000 0.952 229 R CB -0.327 30.159 30.300 0.311 0.000 0.850 229 R HN 0.346 nan 8.270 nan 0.000 0.433 230 E N -0.589 119.630 120.200 0.033 0.000 2.072 230 E HA -0.204 4.146 4.350 -0.000 0.000 0.191 230 E C 1.732 178.314 176.600 -0.030 0.000 0.985 230 E CA 1.227 57.635 56.400 0.014 0.000 0.801 230 E CB -0.211 29.508 29.700 0.031 0.000 0.750 230 E HN 0.258 nan 8.360 nan 0.000 0.452 231 F N 1.488 121.291 119.950 -0.246 0.000 2.065 231 F HA -0.288 4.239 4.527 -0.000 0.000 0.298 231 F C 2.645 178.144 175.800 -0.502 0.000 1.112 231 F CA 1.876 59.688 58.000 -0.314 0.000 1.212 231 F CB -0.665 38.071 39.000 -0.440 0.000 0.975 231 F HN -0.068 nan 8.300 nan 0.000 0.476 232 S N 0.049 115.326 115.700 -0.706 0.000 2.383 232 S HA -0.118 4.352 4.470 -0.000 0.000 0.227 232 S C 2.225 176.449 174.600 -0.628 0.000 1.026 232 S CA 1.126 58.729 58.200 -0.995 0.000 0.981 232 S CB -0.806 62.110 63.200 -0.474 0.000 0.818 232 S HN 0.469 nan 8.310 nan 0.000 0.472 233 A N 0.653 123.300 122.820 -0.288 0.000 2.014 233 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 233 A C 2.191 179.643 177.584 -0.221 0.000 1.163 233 A CA 1.422 53.365 52.037 -0.158 0.000 0.652 233 A CB -1.010 17.963 19.000 -0.044 0.000 0.808 233 A HN 0.798 nan 8.150 nan 0.000 0.449 234 H N -2.145 116.689 119.070 -0.394 0.000 2.384 234 H HA 0.001 4.557 4.556 -0.000 0.000 0.300 234 H C 0.561 175.513 175.328 -0.627 0.000 1.057 234 H CA 1.406 57.161 56.048 -0.488 0.000 1.370 234 H CB 0.140 29.570 29.762 -0.554 0.000 1.417 234 H HN 0.538 nan 8.280 nan 0.000 0.527 235 Y N -0.192 119.841 120.300 -0.446 0.000 2.555 235 Y HA 0.232 4.782 4.550 -0.000 0.000 0.259 235 Y C 2.287 177.898 175.900 -0.482 0.000 1.179 235 Y CA 0.232 58.070 58.100 -0.437 0.000 1.230 235 Y CB 0.376 38.517 38.460 -0.531 0.000 1.146 235 Y HN 0.211 nan 8.280 nan 0.000 0.526 236 G N 0.315 108.881 108.800 -0.390 0.000 2.446 236 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 236 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 236 G C 1.514 176.434 174.900 0.033 0.000 1.168 236 G CA 1.079 46.102 45.100 -0.128 0.000 0.771 236 G HN 0.390 nan 8.290 nan 0.000 0.551 237 E N 0.496 120.664 120.200 -0.054 0.000 2.033 237 E HA -0.072 4.278 4.350 -0.000 0.000 0.189 237 E C 2.988 179.562 176.600 -0.043 0.000 0.979 237 E CA 1.181 57.539 56.400 -0.071 0.000 0.802 237 E CB -0.117 29.523 29.700 -0.101 0.000 0.763 237 E HN 0.558 nan 8.360 nan 0.000 0.449 238 S N 0.262 115.961 115.700 -0.002 0.000 2.423 238 S HA 0.068 4.538 4.470 -0.000 0.000 0.231 238 S C 1.222 175.899 174.600 0.129 0.000 1.014 238 S CA 0.393 58.630 58.200 0.062 0.000 0.965 238 S CB -0.350 62.917 63.200 0.112 0.000 0.785 238 S HN 0.410 nan 8.310 nan 0.000 0.495 239 G N 0.434 109.368 108.800 0.223 0.000 2.814 239 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.677 239 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.677 239 G C -0.883 174.259 174.900 0.403 0.000 1.429 239 G CA -0.206 45.108 45.100 0.356 0.000 0.868 239 G HN 0.943 nan 8.290 nan 0.000 0.553 240 Y N 0.587 121.057 120.300 0.283 0.000 2.373 240 Y HA 0.647 5.197 4.550 0.000 0.000 0.336 240 Y C -0.067 175.939 175.900 0.177 0.000 0.979 240 Y CA -0.773 57.339 58.100 0.019 0.000 1.080 240 Y CB 1.606 39.880 38.460 -0.309 0.000 1.190 240 Y HN 0.715 nan 8.280 nan 0.000 0.446 241 E N 5.457 125.367 120.200 -0.484 0.000 2.204 241 E HA 0.410 4.760 4.350 -0.000 0.000 0.276 241 E C -0.970 175.426 176.600 -0.341 0.000 0.974 241 E CA -0.825 55.464 56.400 -0.186 0.000 0.815 241 E CB 1.744 31.408 29.700 -0.060 0.000 1.119 241 E HN 0.636 nan 8.360 nan 0.000 0.393 242 L N 2.137 123.390 121.223 0.051 0.000 2.467 242 L HA 0.047 4.387 4.340 -0.000 0.000 0.270 242 L C 0.932 177.814 176.870 0.021 0.000 1.205 242 L CA -0.110 54.796 54.840 0.109 0.000 0.828 242 L CB 0.283 42.454 42.059 0.186 0.000 1.101 242 L HN 0.451 nan 8.230 nan 0.000 0.479 243 E N 1.963 122.190 120.200 0.045 0.000 2.820 243 E HA -0.110 4.240 4.350 -0.000 0.000 0.251 243 E C 0.928 177.539 176.600 0.017 0.000 0.944 243 E CA 1.117 57.531 56.400 0.024 0.000 0.955 243 E CB 0.230 29.952 29.700 0.037 0.000 0.904 243 E HN 0.836 nan 8.360 nan 0.000 0.513 244 G N 3.934 112.737 108.800 0.005 0.000 2.198 244 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.260 244 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.260 244 G C 0.084 174.991 174.900 0.011 0.000 1.025 244 G CA 0.641 45.745 45.100 0.006 0.000 0.769 244 G HN 0.536 nan 8.290 nan 0.000 0.507 245 E N -1.240 118.968 120.200 0.013 0.000 2.312 245 E HA 0.564 4.914 4.350 -0.000 0.000 0.267 245 E C -0.594 176.024 176.600 0.030 0.000 0.894 245 E CA -0.630 55.789 56.400 0.031 0.000 0.773 245 E CB 2.465 32.203 29.700 0.063 0.000 1.241 245 E HN 0.355 nan 8.360 nan 0.000 0.432 246 C N 4.022 123.341 119.300 0.031 0.000 2.441 246 C HA 0.371 4.830 4.460 -0.000 0.000 0.318 246 C C 1.363 176.387 174.990 0.056 0.000 1.222 246 C CA -0.697 58.333 59.018 0.021 0.000 1.474 246 C CB -0.109 27.596 27.740 -0.059 0.000 2.125 246 C HN 1.111 nan 8.230 nan 0.000 0.479 247 W N 4.592 125.918 121.300 0.043 0.000 2.387 247 W HA -0.057 4.603 4.660 -0.000 0.000 0.272 247 W C 1.222 177.850 176.519 0.181 0.000 1.224 247 W CA 0.688 58.080 57.345 0.079 0.000 1.210 247 W CB -0.648 28.835 29.460 0.038 0.000 1.125 247 W HN 0.785 nan 8.180 nan 0.000 0.572 248 R N 0.784 120.927 120.500 -0.595 0.000 2.299 248 R HA -0.056 4.284 4.340 -0.000 0.000 0.197 248 R C 1.427 177.612 176.300 -0.191 0.000 0.971 248 R CA 0.943 56.708 56.100 -0.558 0.000 1.030 248 R CB -0.280 29.567 30.300 -0.756 0.000 0.932 248 R HN 0.020 nan 8.270 nan 0.000 0.477 249 D N 0.870 121.208 120.400 -0.103 0.000 2.182 249 D HA -0.102 4.538 4.640 -0.000 0.000 0.201 249 D C 0.806 177.059 176.300 -0.078 0.000 0.986 249 D CA 1.472 55.434 54.000 -0.064 0.000 0.847 249 D CB 0.095 40.891 40.800 -0.007 0.000 0.942 249 D HN 0.252 nan 8.370 nan 0.000 0.467 250 S N -2.012 113.606 115.700 -0.136 0.000 2.578 250 S HA 0.206 4.676 4.470 -0.000 0.000 0.272 250 S C 0.647 174.896 174.600 -0.585 0.000 1.145 250 S CA -0.298 57.762 58.200 -0.233 0.000 0.835 250 S CB 1.252 64.470 63.200 0.030 0.000 1.104 250 S HN -0.036 nan 8.310 nan 0.000 0.458 251 V N -0.557 118.848 119.914 -0.849 0.000 2.982 251 V HA 0.063 4.183 4.120 -0.000 0.000 0.265 251 V C 1.327 177.029 176.094 -0.652 0.000 1.122 251 V CA 1.437 63.129 62.300 -1.014 0.000 1.143 251 V CB -1.577 29.510 31.823 -1.226 0.000 0.726 251 V HN 0.738 nan 8.190 nan 0.000 0.507 252 F N -0.139 119.717 119.950 -0.155 0.000 2.754 252 F HA 0.360 4.887 4.527 -0.000 0.000 0.297 252 F C 1.565 177.394 175.800 0.048 0.000 1.122 252 F CA -0.681 57.299 58.000 -0.034 0.000 1.400 252 F CB -0.587 38.400 39.000 -0.021 0.000 1.117 252 F HN 0.208 nan 8.300 nan 0.000 0.587 253 C N -0.041 119.401 119.300 0.238 0.000 2.362 253 C HA 0.758 5.218 4.460 -0.000 0.000 0.363 253 C C 0.690 175.863 174.990 0.306 0.000 1.220 253 C CA -0.651 58.514 59.018 0.244 0.000 2.379 253 C CB 1.027 28.910 27.740 0.237 0.000 2.351 253 C HN 0.444 nan 8.230 nan 0.000 0.582 254 S N -0.194 115.597 115.700 0.152 0.000 2.672 254 S HA 0.698 5.168 4.470 -0.000 0.000 0.271 254 S C -0.606 173.949 174.600 -0.074 0.000 1.171 254 S CA 0.148 58.381 58.200 0.055 0.000 0.817 254 S CB 1.017 64.143 63.200 -0.124 0.000 1.150 254 S HN 1.354 nan 8.310 nan 0.000 0.478 255 A N -0.116 122.620 122.820 -0.140 0.000 2.574 255 A HA 0.520 4.840 4.320 -0.000 0.000 0.283 255 A C 0.323 177.949 177.584 0.070 0.000 1.270 255 A CA 0.294 52.336 52.037 0.007 0.000 0.945 255 A CB -1.327 17.661 19.000 -0.020 0.000 1.127 255 A HN 1.421 nan 8.150 nan 0.000 0.522 256 H N -1.202 117.822 119.070 -0.076 0.000 2.921 256 H HA -0.205 4.351 4.556 0.000 0.000 0.281 256 H C 1.552 176.676 175.328 -0.339 0.000 1.165 256 H CA 1.154 57.020 56.048 -0.302 0.000 1.151 256 H CB -1.352 28.100 29.762 -0.517 0.000 1.311 256 H HN 0.607 nan 8.280 nan 0.000 0.361 257 R N -0.117 120.433 120.500 0.084 0.000 2.096 257 R HA -0.066 4.274 4.340 -0.000 0.000 0.235 257 R C 1.891 178.409 176.300 0.364 0.000 1.127 257 R CA 1.613 57.936 56.100 0.371 0.000 0.968 257 R CB -0.016 30.534 30.300 0.416 0.000 0.861 257 R HN 0.259 nan 8.270 nan 0.000 0.440 258 V N 1.019 120.955 119.914 0.036 0.000 2.307 258 V HA -0.225 3.895 4.120 -0.000 0.000 0.245 258 V C 2.501 178.482 176.094 -0.189 0.000 1.045 258 V CA 1.952 64.033 62.300 -0.366 0.000 1.024 258 V CB -0.715 30.628 31.823 -0.801 0.000 0.651 258 V HN 0.373 nan 8.190 nan 0.000 0.449 259 A N -0.246 122.484 122.820 -0.149 0.000 1.902 259 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 259 A C 2.022 179.739 177.584 0.222 0.000 1.181 259 A CA 1.805 53.812 52.037 -0.050 0.000 0.623 259 A CB -0.706 18.231 19.000 -0.106 0.000 0.818 259 A HN 0.445 nan 8.150 nan 0.000 0.443 260 F N 0.251 120.373 119.950 0.286 0.000 2.134 260 F HA -0.138 4.389 4.527 -0.000 0.000 0.299 260 F C 2.077 178.094 175.800 0.362 0.000 1.097 260 F CA 1.382 59.571 58.000 0.315 0.000 1.264 260 F CB -1.009 38.101 39.000 0.182 0.000 1.001 260 F HN 0.381 nan 8.300 nan 0.000 0.479 261 D N 0.088 120.787 120.400 0.498 0.000 2.097 261 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 261 D C 2.291 178.789 176.300 0.331 0.000 0.984 261 D CA 1.051 55.297 54.000 0.409 0.000 0.826 261 D CB -0.140 40.889 40.800 0.381 0.000 0.973 261 D HN 0.184 nan 8.370 nan 0.000 0.460 262 L N -0.381 121.034 121.223 0.321 0.000 2.042 262 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 262 L C 2.315 179.490 176.870 0.508 0.000 1.076 262 L CA 1.002 56.112 54.840 0.450 0.000 0.749 262 L CB -0.684 41.650 42.059 0.459 0.000 0.893 262 L HN 0.163 nan 8.230 nan 0.000 0.432 263 F N 1.353 121.544 119.950 0.401 0.000 2.095 263 F HA -0.240 4.287 4.527 -0.000 0.000 0.298 263 F C 2.609 178.591 175.800 0.304 0.000 1.104 263 F CA 1.682 59.931 58.000 0.415 0.000 1.232 263 F CB -0.116 39.233 39.000 0.582 0.000 0.987 263 F HN 0.026 nan 8.300 nan 0.000 0.475 264 E N -0.034 120.340 120.200 0.289 0.000 2.085 264 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 264 E C 2.260 178.802 176.600 -0.096 0.000 0.994 264 E CA 1.979 58.427 56.400 0.080 0.000 0.801 264 E CB -1.126 28.685 29.700 0.185 0.000 0.743 264 E HN 0.427 nan 8.360 nan 0.000 0.453 265 T N 0.239 114.721 114.554 -0.121 0.000 2.777 265 T HA -0.120 4.230 4.350 -0.000 0.000 0.266 265 T C 1.470 175.887 174.700 -0.472 0.000 1.040 265 T CA 1.348 63.224 62.100 -0.373 0.000 1.141 265 T CB -0.234 68.251 68.868 -0.638 0.000 0.868 265 T HN 0.190 nan 8.240 nan 0.000 0.444 266 Y N -0.109 120.153 120.300 -0.063 0.000 2.535 266 Y HA 0.428 4.978 4.550 -0.000 0.000 0.266 266 Y C 1.999 177.770 175.900 -0.216 0.000 1.088 266 Y CA -0.258 57.760 58.100 -0.136 0.000 1.285 266 Y CB -0.004 38.347 38.460 -0.181 0.000 1.166 266 Y HN 0.296 nan 8.280 nan 0.000 0.525 267 G N 0.395 109.028 108.800 -0.278 0.000 2.143 267 G HA2 -0.054 3.905 3.960 -0.000 0.000 0.248 267 G HA3 -0.054 3.905 3.960 -0.000 0.000 0.248 267 G C 0.044 174.872 174.900 -0.120 0.000 0.991 267 G CA 0.156 44.967 45.100 -0.482 0.000 0.689 267 G HN 0.681 nan 8.290 nan 0.000 0.522 268 A N -0.564 122.332 122.820 0.126 0.000 2.454 268 A HA 0.826 5.146 4.320 -0.000 0.000 0.302 268 A C -0.032 177.862 177.584 0.517 0.000 1.079 268 A CA -0.789 51.439 52.037 0.318 0.000 0.731 268 A CB 1.178 20.327 19.000 0.249 0.000 1.299 268 A HN 0.710 nan 8.150 nan 0.000 0.413 269 I N 2.649 123.369 120.570 0.249 0.000 2.363 269 I HA 0.222 4.392 4.170 -0.000 0.000 0.292 269 I C -2.163 173.847 176.117 -0.179 0.000 1.075 269 I CA -1.685 59.560 61.300 -0.090 0.000 1.333 269 I CB 1.066 38.723 38.000 -0.573 0.000 1.415 269 I HN 0.339 nan 8.210 nan 0.000 0.502 270 P HA 0.039 nan 4.420 nan 0.000 0.268 270 P C -0.321 176.626 177.300 -0.588 0.000 1.204 270 P CA -0.129 62.392 63.100 -0.964 0.000 0.768 270 P CB 0.849 32.004 31.700 -0.909 0.000 0.842 271 A N 1.987 124.440 122.820 -0.613 0.000 2.855 271 A HA 0.660 4.980 4.320 -0.000 0.000 0.301 271 A C 0.059 177.491 177.584 -0.254 0.000 1.076 271 A CA -0.188 51.647 52.037 -0.336 0.000 1.004 271 A CB -0.344 18.499 19.000 -0.262 0.000 1.152 271 A HN 0.548 nan 8.150 nan 0.000 0.531 272 A N -0.735 121.939 122.820 -0.244 0.000 2.587 272 A HA 0.772 5.092 4.320 -0.000 0.000 0.293 272 A C 0.415 177.967 177.584 -0.054 0.000 1.087 272 A CA -0.086 51.894 52.037 -0.096 0.000 0.692 272 A CB 0.353 19.305 19.000 -0.081 0.000 1.291 272 A HN 1.295 nan 8.150 nan 0.000 0.407 273 G N 0.028 108.864 108.800 0.060 0.000 2.562 273 G HA2 0.286 4.246 3.960 -0.000 0.000 0.233 273 G HA3 0.286 4.246 3.960 -0.000 0.000 0.233 273 G C 0.056 174.872 174.900 -0.141 0.000 1.266 273 G CA 0.448 45.546 45.100 -0.003 0.000 0.852 273 G HN 0.664 nan 8.290 nan 0.000 0.581 274 D N 0.126 120.370 120.400 -0.258 0.000 2.149 274 D HA -0.158 4.482 4.640 -0.000 0.000 0.198 274 D C 2.648 178.545 176.300 -0.671 0.000 0.990 274 D CA 1.291 54.989 54.000 -0.503 0.000 0.839 274 D CB -0.040 40.413 40.800 -0.578 0.000 0.948 274 D HN 0.692 nan 8.370 nan 0.000 0.460 275 R N -0.189 120.043 120.500 -0.446 0.000 2.152 275 R HA -0.106 4.234 4.340 -0.000 0.000 0.232 275 R C 1.381 177.498 176.300 -0.305 0.000 1.117 275 R CA 1.299 57.217 56.100 -0.304 0.000 0.981 275 R CB -0.677 29.534 30.300 -0.149 0.000 0.870 275 R HN 0.368 nan 8.270 nan 0.000 0.451 276 H N 0.633 119.639 119.070 -0.107 0.000 2.370 276 H HA 0.168 4.724 4.556 -0.000 0.000 0.304 276 H C 2.177 177.575 175.328 0.116 0.000 1.055 276 H CA 0.985 57.023 56.048 -0.018 0.000 1.373 276 H CB 0.077 29.761 29.762 -0.131 0.000 1.423 276 H HN -0.045 nan 8.280 nan 0.000 0.533 277 L N 0.569 121.844 121.223 0.088 0.000 2.089 277 L HA -0.256 4.084 4.340 -0.000 0.000 0.213 277 L C 2.657 179.601 176.870 0.123 0.000 1.079 277 L CA 1.017 55.909 54.840 0.087 0.000 0.758 277 L CB -0.483 41.473 42.059 -0.172 0.000 0.891 277 L HN 0.377 nan 8.230 nan 0.000 0.433 278 A N -0.434 122.322 122.820 -0.106 0.000 2.019 278 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 278 A C 2.067 179.724 177.584 0.122 0.000 1.164 278 A CA 1.448 53.437 52.037 -0.080 0.000 0.644 278 A CB -0.355 18.507 19.000 -0.230 0.000 0.805 278 A HN 0.506 nan 8.150 nan 0.000 0.449 279 E N -1.771 118.497 120.200 0.114 0.000 2.481 279 E HA 0.012 4.362 4.350 -0.000 0.000 0.195 279 E C 0.641 177.164 176.600 -0.128 0.000 1.047 279 E CA 0.312 56.711 56.400 -0.003 0.000 0.867 279 E CB -0.079 29.569 29.700 -0.087 0.000 0.858 279 E HN 0.768 nan 8.360 nan 0.000 0.513 280 F N 0.283 120.195 119.950 -0.064 0.000 2.746 280 F HA 0.105 4.632 4.527 0.000 0.000 0.297 280 F C 0.295 176.090 175.800 -0.008 0.000 1.113 280 F CA -0.196 57.651 58.000 -0.254 0.000 1.367 280 F CB 0.568 39.067 39.000 -0.836 0.000 1.111 280 F HN -0.072 nan 8.300 nan 0.000 0.590 281 L N -3.383 117.988 121.223 0.247 0.000 2.403 281 L HA 0.659 4.999 4.340 -0.000 0.000 0.253 281 L C -3.001 173.976 176.870 0.178 0.000 1.045 281 L CA -3.072 51.910 54.840 0.237 0.000 0.845 281 L CB -0.594 41.671 42.059 0.344 0.000 1.447 281 L HN -0.393 nan 8.230 nan 0.000 0.411 282 P HA 0.595 nan 4.420 nan 0.000 0.271 282 P C -0.208 177.083 177.300 -0.015 0.000 1.216 282 P CA 0.094 63.221 63.100 0.044 0.000 0.776 282 P CB 0.931 32.647 31.700 0.027 0.000 0.881 283 G N 2.429 111.125 108.800 -0.173 0.000 2.368 283 G HA2 0.348 4.308 3.960 -0.000 0.000 0.293 283 G HA3 0.348 4.308 3.960 -0.000 0.000 0.293 283 G C -2.747 171.839 174.900 -0.525 0.000 1.467 283 G CA -0.758 43.986 45.100 -0.593 0.000 0.804 283 G HN 0.258 nan 8.290 nan 0.000 0.535 284 P HA 0.106 nan 4.420 nan 0.000 0.253 284 P C 0.575 177.790 177.300 -0.142 0.000 1.260 284 P CA 0.208 63.178 63.100 -0.217 0.000 0.800 284 P CB 0.027 31.741 31.700 0.024 0.000 1.162 285 Y N 0.594 120.812 120.300 -0.137 0.000 2.114 285 Y HA -0.109 4.441 4.550 -0.000 0.000 0.284 285 Y C 2.433 178.470 175.900 0.228 0.000 1.143 285 Y CA 0.931 58.968 58.100 -0.107 0.000 1.135 285 Y CB -1.543 36.789 38.460 -0.212 0.000 0.980 285 Y HN -0.140 nan 8.280 nan 0.000 0.499 286 L N -0.403 121.020 121.223 0.333 0.000 2.478 286 L HA -0.092 4.247 4.340 -0.000 0.000 0.223 286 L C 1.975 178.894 176.870 0.082 0.000 1.140 286 L CA 1.014 56.016 54.840 0.270 0.000 0.842 286 L CB -0.288 41.923 42.059 0.253 0.000 0.953 286 L HN 0.195 nan 8.230 nan 0.000 0.452 287 K N -0.267 120.168 120.400 0.059 0.000 2.284 287 K HA 0.045 4.365 4.320 -0.000 0.000 0.198 287 K C 0.523 177.098 176.600 -0.041 0.000 1.048 287 K CA 0.516 56.774 56.287 -0.049 0.000 0.987 287 K CB 0.371 32.874 32.500 0.005 0.000 0.800 287 K HN 0.273 nan 8.250 nan 0.000 0.486 288 Q N 0.278 120.129 119.800 0.085 0.000 2.656 288 Q HA 0.132 4.472 4.340 -0.000 0.000 0.389 288 Q C -2.201 173.881 176.000 0.136 0.000 0.883 288 Q CA -1.496 54.372 55.803 0.109 0.000 1.056 288 Q CB 1.248 30.105 28.738 0.198 0.000 1.391 288 Q HN 0.027 nan 8.270 nan 0.000 0.399 289 P HA -0.235 nan 4.420 nan 0.000 0.217 289 P C 1.115 178.227 177.300 -0.313 0.000 1.150 289 P CA 1.406 64.252 63.100 -0.424 0.000 0.832 289 P CB 0.344 31.601 31.700 -0.737 0.000 0.787 290 E N 0.491 120.590 120.200 -0.168 0.000 2.106 290 E HA -0.095 4.255 4.350 -0.000 0.000 0.192 290 E C 2.052 178.564 176.600 -0.148 0.000 0.984 290 E CA 1.024 57.378 56.400 -0.077 0.000 0.806 290 E CB -1.869 27.857 29.700 0.043 0.000 0.750 290 E HN 0.085 nan 8.360 nan 0.000 0.458 291 V N -0.171 119.670 119.914 -0.122 0.000 2.490 291 V HA -0.191 3.929 4.120 -0.000 0.000 0.250 291 V C 1.550 177.407 176.094 -0.394 0.000 1.061 291 V CA 1.868 64.022 62.300 -0.244 0.000 1.064 291 V CB -0.679 30.994 31.823 -0.249 0.000 0.670 291 V HN 0.292 nan 8.190 nan 0.000 0.461 292 W N -0.709 120.526 121.300 -0.108 0.000 3.278 292 W HA 0.309 4.969 4.660 -0.000 0.000 0.308 292 W C 1.094 177.492 176.519 -0.203 0.000 1.253 292 W CA -0.429 56.914 57.345 -0.004 0.000 1.759 292 W CB -0.013 29.632 29.460 0.308 0.000 1.093 292 W HN 0.050 nan 8.180 nan 0.000 0.648 293 K N -0.038 120.039 120.400 -0.539 0.000 3.162 293 K HA -0.235 4.085 4.320 -0.000 0.000 0.268 293 K C -0.634 175.444 176.600 -0.870 0.000 1.062 293 K CA 0.740 56.115 56.287 -1.520 0.000 0.769 293 K CB -2.279 29.372 32.500 -1.415 0.000 1.274 293 K HN 0.314 nan 8.250 nan 0.000 0.478 294 F N -2.707 116.894 119.950 -0.581 0.000 2.726 294 F HA 0.660 5.187 4.527 -0.000 0.000 0.324 294 F C -0.203 175.489 175.800 -0.179 0.000 1.140 294 F CA -1.270 56.607 58.000 -0.205 0.000 0.964 294 F CB 1.178 40.108 39.000 -0.117 0.000 1.399 294 F HN -0.062 nan 8.300 nan 0.000 0.491 295 H N 0.967 120.028 119.070 -0.015 0.000 2.731 295 H HA 0.595 5.151 4.556 -0.000 0.000 0.368 295 H C -0.766 174.475 175.328 -0.145 0.000 1.168 295 H CA -0.830 55.124 56.048 -0.157 0.000 1.181 295 H CB 2.392 32.097 29.762 -0.095 0.000 1.743 295 H HN 0.449 nan 8.280 nan 0.000 0.547 296 L N 0.815 122.017 121.223 -0.035 0.000 2.421 296 L HA 0.262 4.602 4.340 -0.000 0.000 0.263 296 L C 0.389 177.230 176.870 -0.048 0.000 1.122 296 L CA -0.355 54.492 54.840 0.013 0.000 0.804 296 L CB 0.742 42.824 42.059 0.038 0.000 1.150 296 L HN 0.523 nan 8.230 nan 0.000 0.457 297 T N 2.329 116.842 114.554 -0.069 0.000 2.947 297 T HA 0.312 4.662 4.350 -0.000 0.000 0.337 297 T C -2.351 172.355 174.700 0.009 0.000 1.139 297 T CA -1.144 60.858 62.100 -0.163 0.000 0.992 297 T CB 0.907 69.640 68.868 -0.225 0.000 1.043 297 T HN 0.354 nan 8.240 nan 0.000 0.498 298 P HA 0.225 nan 4.420 nan 0.000 0.272 298 P C 0.735 178.236 177.300 0.335 0.000 1.223 298 P CA -0.567 62.715 63.100 0.304 0.000 0.784 298 P CB 0.844 32.676 31.700 0.221 0.000 0.923 299 I N 1.295 122.182 120.570 0.529 0.000 2.614 299 I HA -0.168 4.002 4.170 -0.000 0.000 0.258 299 I C 2.319 178.577 176.117 0.235 0.000 1.189 299 I CA 1.508 63.005 61.300 0.329 0.000 1.462 299 I CB -1.968 36.225 38.000 0.321 0.000 1.092 299 I HN 0.395 nan 8.210 nan 0.000 0.442 300 S N 0.961 116.781 115.700 0.200 0.000 2.382 300 S HA -0.239 4.231 4.470 -0.000 0.000 0.228 300 S C 2.130 176.805 174.600 0.126 0.000 1.027 300 S CA 0.809 59.078 58.200 0.116 0.000 0.991 300 S CB -1.303 61.938 63.200 0.069 0.000 0.823 300 S HN 0.440 nan 8.310 nan 0.000 0.469 301 F N 2.972 122.943 119.950 0.036 0.000 2.126 301 F HA -0.028 4.499 4.527 -0.000 0.000 0.299 301 F C 2.550 178.369 175.800 0.033 0.000 1.096 301 F CA 1.443 59.450 58.000 0.013 0.000 1.255 301 F CB -0.173 38.813 39.000 -0.023 0.000 0.997 301 F HN 0.052 nan 8.300 nan 0.000 0.479 302 R N 0.388 121.041 120.500 0.255 0.000 2.096 302 R HA -0.142 4.197 4.340 -0.000 0.000 0.235 302 R C 2.213 178.515 176.300 0.004 0.000 1.127 302 R CA 1.707 57.896 56.100 0.148 0.000 0.968 302 R CB -0.372 30.056 30.300 0.214 0.000 0.861 302 R HN 0.310 nan 8.270 nan 0.000 0.440 303 K N 0.224 120.633 120.400 0.016 0.000 2.097 303 K HA -0.186 4.134 4.320 -0.000 0.000 0.205 303 K C 2.171 178.729 176.600 -0.070 0.000 1.050 303 K CA 1.166 57.447 56.287 -0.010 0.000 0.938 303 K CB 0.009 32.519 32.500 0.016 0.000 0.718 303 K HN -0.038 nan 8.250 nan 0.000 0.442 304 Q N 1.483 121.207 119.800 -0.126 0.000 2.119 304 Q HA -0.178 4.162 4.340 -0.000 0.000 0.201 304 Q C 1.366 177.231 176.000 -0.226 0.000 0.972 304 Q CA 1.828 57.531 55.803 -0.167 0.000 0.847 304 Q CB -0.168 28.457 28.738 -0.188 0.000 0.903 304 Q HN 0.219 nan 8.270 nan 0.000 0.433 305 D N -0.678 119.515 120.400 -0.345 0.000 2.144 305 D HA -0.152 4.488 4.640 -0.000 0.000 0.200 305 D C 1.856 178.072 176.300 -0.139 0.000 0.978 305 D CA 1.077 54.891 54.000 -0.310 0.000 0.833 305 D CB -0.096 40.472 40.800 -0.385 0.000 0.961 305 D HN 0.271 nan 8.370 nan 0.000 0.470 306 R N 0.040 120.483 120.500 -0.095 0.000 2.092 306 R HA -0.063 4.277 4.340 -0.000 0.000 0.231 306 R C 1.975 178.246 176.300 -0.049 0.000 1.119 306 R CA 1.345 57.417 56.100 -0.046 0.000 0.970 306 R CB -0.254 30.037 30.300 -0.016 0.000 0.864 306 R HN 0.182 nan 8.270 nan 0.000 0.440 307 A N 1.898 124.682 122.820 -0.060 0.000 1.929 307 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 307 A C 1.887 179.439 177.584 -0.055 0.000 1.176 307 A CA 1.412 53.419 52.037 -0.050 0.000 0.628 307 A CB -0.341 18.629 19.000 -0.049 0.000 0.816 307 A HN 0.662 nan 8.150 nan 0.000 0.444 308 E N 0.371 120.528 120.200 -0.072 0.000 2.150 308 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 308 E C 1.732 178.299 176.600 -0.056 0.000 0.985 308 E CA 1.163 57.524 56.400 -0.065 0.000 0.814 308 E CB -0.287 29.367 29.700 -0.077 0.000 0.752 308 E HN 0.583 nan 8.360 nan 0.000 0.466 309 K N 0.922 121.287 120.400 -0.057 0.000 2.097 309 K HA -0.036 4.284 4.320 -0.000 0.000 0.205 309 K C 2.271 178.844 176.600 -0.045 0.000 1.050 309 K CA 0.836 57.093 56.287 -0.050 0.000 0.938 309 K CB -0.035 32.437 32.500 -0.046 0.000 0.718 309 K HN -0.008 nan 8.250 nan 0.000 0.442 310 R N 0.768 121.243 120.500 -0.041 0.000 2.120 310 R HA -0.125 4.215 4.340 -0.000 0.000 0.234 310 R C 2.262 178.541 176.300 -0.036 0.000 1.123 310 R CA 1.371 57.450 56.100 -0.037 0.000 0.975 310 R CB -0.003 30.279 30.300 -0.031 0.000 0.866 310 R HN 0.260 nan 8.270 nan 0.000 0.446 311 Q N -0.117 119.661 119.800 -0.037 0.000 2.083 311 Q HA -0.150 4.190 4.340 -0.000 0.000 0.198 311 Q C 1.978 177.957 176.000 -0.034 0.000 0.969 311 Q CA 1.144 56.927 55.803 -0.034 0.000 0.838 311 Q CB 0.041 28.759 28.738 -0.034 0.000 0.900 311 Q HN 0.340 nan 8.270 nan 0.000 0.436 312 E N 0.203 120.380 120.200 -0.039 0.000 2.077 312 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 312 E C 1.576 178.152 176.600 -0.041 0.000 0.989 312 E CA 1.510 57.886 56.400 -0.040 0.000 0.800 312 E CB 0.141 29.814 29.700 -0.045 0.000 0.746 312 E HN 0.270 nan 8.360 nan 0.000 0.452 313 T N 1.411 115.938 114.554 -0.045 0.000 2.684 313 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 313 T C 1.571 176.248 174.700 -0.039 0.000 1.036 313 T CA 1.456 63.527 62.100 -0.048 0.000 1.148 313 T CB -0.157 68.679 68.868 -0.054 0.000 0.863 313 T HN 0.180 nan 8.240 nan 0.000 0.436 314 E N 0.811 120.991 120.200 -0.033 0.000 2.106 314 E HA -0.023 4.327 4.350 -0.000 0.000 0.192 314 E C 2.291 178.878 176.600 -0.022 0.000 0.984 314 E CA 0.651 57.035 56.400 -0.026 0.000 0.806 314 E CB -0.317 29.369 29.700 -0.024 0.000 0.750 314 E HN 0.400 nan 8.360 nan 0.000 0.458 315 R N 0.588 121.074 120.500 -0.025 0.000 2.080 315 R HA -0.105 4.235 4.340 -0.000 0.000 0.236 315 R C 2.565 178.852 176.300 -0.022 0.000 1.137 315 R CA 1.231 57.317 56.100 -0.024 0.000 0.943 315 R CB -0.396 29.888 30.300 -0.026 0.000 0.846 315 R HN 0.151 nan 8.270 nan 0.000 0.431 316 L N 0.348 121.557 121.223 -0.022 0.000 2.079 316 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 316 L C 2.461 179.336 176.870 0.007 0.000 1.081 316 L CA 1.225 56.057 54.840 -0.014 0.000 0.752 316 L CB -0.376 41.670 42.059 -0.021 0.000 0.896 316 L HN 0.302 nan 8.230 nan 0.000 0.433 317 I N -1.069 119.505 120.570 0.006 0.000 2.110 317 I HA -0.265 3.905 4.170 -0.000 0.000 0.236 317 I C 2.517 178.646 176.117 0.021 0.000 1.068 317 I CA 1.076 62.395 61.300 0.031 0.000 1.333 317 I CB -0.311 37.694 38.000 0.007 0.000 1.054 317 I HN -0.069 nan 8.210 nan 0.000 0.402 318 V N 0.661 120.575 119.914 -0.000 0.000 2.277 318 V HA -0.387 3.733 4.120 -0.000 0.000 0.253 318 V C 2.234 178.312 176.094 -0.026 0.000 1.067 318 V CA 2.134 64.428 62.300 -0.011 0.000 1.047 318 V CB -0.733 31.081 31.823 -0.015 0.000 0.649 318 V HN 0.529 nan 8.190 nan 0.000 0.447 319 Q N -1.166 118.615 119.800 -0.032 0.000 2.482 319 Q HA -0.017 4.323 4.340 -0.000 0.000 0.209 319 Q C 0.593 176.536 176.000 -0.095 0.000 0.961 319 Q CA 0.059 55.831 55.803 -0.052 0.000 0.945 319 Q CB 0.022 28.735 28.738 -0.042 0.000 1.012 319 Q HN 0.714 nan 8.270 nan 0.000 0.515 320 Q N 0.138 119.874 119.800 -0.106 0.000 2.435 320 Q HA -0.233 4.107 4.340 -0.000 0.000 0.286 320 Q C -0.742 175.054 176.000 -0.340 0.000 1.229 320 Q CA 0.612 56.227 55.803 -0.314 0.000 0.884 320 Q CB -1.367 27.135 28.738 -0.393 0.000 1.245 320 Q HN 0.358 nan 8.270 nan 0.000 0.488 321 R N -0.254 120.182 120.500 -0.106 0.000 2.428 321 R HA 0.569 4.909 4.340 -0.000 0.000 0.294 321 R C 0.888 177.216 176.300 0.047 0.000 1.000 321 R CA 0.160 56.232 56.100 -0.047 0.000 0.960 321 R CB 1.100 31.378 30.300 -0.035 0.000 1.076 321 R HN 0.208 nan 8.270 nan 0.000 0.475 322 G N 0.822 109.658 108.800 0.061 0.000 2.574 322 G HA2 0.370 4.330 3.960 -0.000 0.000 0.248 322 G HA3 0.370 4.330 3.960 -0.000 0.000 0.248 322 G C -0.056 174.840 174.900 -0.007 0.000 1.422 322 G CA -0.532 44.596 45.100 0.047 0.000 1.051 322 G HN 0.441 nan 8.290 nan 0.000 0.560 323 V N -2.090 117.804 119.914 -0.032 0.000 3.336 323 V HA 0.714 4.834 4.120 -0.000 0.000 0.304 323 V C 0.838 176.921 176.094 -0.018 0.000 1.073 323 V CA -0.584 61.692 62.300 -0.039 0.000 1.074 323 V CB 0.636 32.423 31.823 -0.060 0.000 1.161 323 V HN 1.141 nan 8.190 nan 0.000 0.460 324 A N 0.539 123.346 122.820 -0.022 0.000 2.440 324 A HA 0.302 4.622 4.320 -0.000 0.000 0.251 324 A C 0.472 178.055 177.584 -0.002 0.000 1.089 324 A CA -0.353 51.677 52.037 -0.012 0.000 0.779 324 A CB -0.360 18.629 19.000 -0.018 0.000 1.022 324 A HN 0.919 nan 8.150 nan 0.000 0.492 325 E N 1.493 121.698 120.200 0.009 0.000 1.999 325 E HA 0.105 4.455 4.350 -0.000 0.000 0.296 325 E C -0.328 176.278 176.600 0.011 0.000 1.187 325 E CA 0.264 56.675 56.400 0.019 0.000 1.229 325 E CB -0.057 29.660 29.700 0.028 0.000 1.131 325 E HN 0.454 nan 8.360 nan 0.000 0.478 326 K N 0.960 121.362 120.400 0.003 0.000 2.513 326 K HA 0.429 4.749 4.320 -0.000 0.000 0.251 326 K C -0.891 175.706 176.600 -0.005 0.000 0.939 326 K CA -0.724 55.561 56.287 -0.003 0.000 0.793 326 K CB 1.662 34.155 32.500 -0.012 0.000 1.241 326 K HN 0.263 nan 8.250 nan 0.000 0.431 327 A N 1.783 124.600 122.820 -0.004 0.000 2.561 327 A HA 0.026 4.346 4.320 -0.000 0.000 0.234 327 A C 1.083 178.658 177.584 -0.016 0.000 1.055 327 A CA 0.786 52.820 52.037 -0.006 0.000 0.756 327 A CB 0.157 19.151 19.000 -0.011 0.000 0.986 327 A HN 0.916 nan 8.150 nan 0.000 0.505 328 S N 1.732 117.426 115.700 -0.010 0.000 2.458 328 S HA 0.366 4.836 4.470 -0.000 0.000 0.223 328 S C 1.471 176.054 174.600 -0.028 0.000 1.019 328 S CA 1.144 59.331 58.200 -0.023 0.000 0.937 328 S CB -0.063 63.133 63.200 -0.006 0.000 0.788 328 S HN 2.606 nan 8.310 nan 0.000 0.511 329 G N 0.607 109.395 108.800 -0.020 0.000 2.232 329 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.226 329 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.226 329 G C -0.077 174.811 174.900 -0.020 0.000 0.996 329 G CA 0.082 45.154 45.100 -0.046 0.000 0.626 329 G HN 0.509 nan 8.290 nan 0.000 0.509 330 E N 0.612 120.874 120.200 0.103 0.000 2.391 330 E HA 0.379 4.729 4.350 -0.000 0.000 0.255 330 E C 0.860 177.554 176.600 0.158 0.000 1.187 330 E CA -0.224 56.343 56.400 0.280 0.000 0.941 330 E CB 0.466 30.416 29.700 0.416 0.000 1.010 330 E HN 0.387 nan 8.360 nan 0.000 0.458 331 E N 0.157 120.518 120.200 0.269 0.000 2.498 331 E HA 0.092 4.442 4.350 -0.000 0.000 0.203 331 E C 1.564 178.267 176.600 0.172 0.000 1.013 331 E CA 0.152 56.646 56.400 0.156 0.000 0.927 331 E CB 0.524 30.344 29.700 0.200 0.000 1.012 331 E HN 0.679 nan 8.360 nan 0.000 0.482 332 G N 1.620 110.574 108.800 0.256 0.000 2.553 332 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.218 332 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.218 332 G C 1.673 176.650 174.900 0.129 0.000 1.195 332 G CA 1.183 46.428 45.100 0.243 0.000 0.779 332 G HN 0.196 nan 8.290 nan 0.000 0.577 333 V N 0.992 120.968 119.914 0.103 0.000 2.427 333 V HA -0.145 3.975 4.120 -0.000 0.000 0.248 333 V C 2.581 178.700 176.094 0.042 0.000 1.051 333 V CA 1.951 64.281 62.300 0.052 0.000 1.048 333 V CB -0.631 31.211 31.823 0.032 0.000 0.666 333 V HN 0.336 nan 8.190 nan 0.000 0.456 334 N N 0.193 118.917 118.700 0.040 0.000 2.104 334 N HA -0.130 4.610 4.740 -0.000 0.000 0.190 334 N C 1.655 177.161 175.510 -0.007 0.000 1.024 334 N CA 1.555 54.615 53.050 0.017 0.000 0.853 334 N CB -0.254 38.239 38.487 0.011 0.000 1.008 334 N HN 0.435 nan 8.380 nan 0.000 0.424 335 I N 0.126 120.693 120.570 -0.005 0.000 2.252 335 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 335 I C 1.783 177.851 176.117 -0.083 0.000 1.102 335 I CA 0.772 62.038 61.300 -0.058 0.000 1.385 335 I CB -0.164 37.808 38.000 -0.047 0.000 1.064 335 I HN 0.157 nan 8.210 nan 0.000 0.414 336 I N 0.730 121.282 120.570 -0.030 0.000 2.127 336 I HA -0.342 3.828 4.170 -0.000 0.000 0.241 336 I C 2.826 178.936 176.117 -0.013 0.000 1.075 336 I CA 1.530 62.821 61.300 -0.014 0.000 1.334 336 I CB -0.581 37.438 38.000 0.031 0.000 1.040 336 I HN 0.203 nan 8.210 nan 0.000 0.405 337 A N 0.808 123.633 122.820 0.009 0.000 1.892 337 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 337 A C 2.549 180.111 177.584 -0.036 0.000 1.188 337 A CA 2.216 54.261 52.037 0.014 0.000 0.631 337 A CB -1.007 18.010 19.000 0.028 0.000 0.822 337 A HN 0.469 nan 8.150 nan 0.000 0.447 338 A N -0.528 122.247 122.820 -0.076 0.000 1.940 338 A HA -0.056 4.264 4.320 -0.000 0.000 0.219 338 A C 2.132 179.604 177.584 -0.187 0.000 1.176 338 A CA 1.553 53.509 52.037 -0.134 0.000 0.631 338 A CB -0.590 18.310 19.000 -0.167 0.000 0.814 338 A HN 0.490 nan 8.150 nan 0.000 0.446 339 L N -0.789 120.305 121.223 -0.216 0.000 2.275 339 L HA -0.053 4.287 4.340 -0.000 0.000 0.215 339 L C 1.944 178.730 176.870 -0.139 0.000 1.119 339 L CA 0.537 55.200 54.840 -0.295 0.000 0.790 339 L CB -0.250 41.564 42.059 -0.409 0.000 0.919 339 L HN 0.363 nan 8.230 nan 0.000 0.443 340 L N -0.868 120.317 121.223 -0.064 0.000 2.558 340 L HA 0.184 4.524 4.340 -0.000 0.000 0.225 340 L C 1.349 178.211 176.870 -0.013 0.000 1.128 340 L CA 0.591 55.429 54.840 -0.005 0.000 0.868 340 L CB -0.171 41.908 42.059 0.033 0.000 1.006 340 L HN 0.433 nan 8.230 nan 0.000 0.454 341 G N 0.238 109.011 108.800 -0.044 0.000 2.138 341 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.193 341 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.193 341 G C 0.410 175.296 174.900 -0.024 0.000 0.998 341 G CA -0.205 44.873 45.100 -0.037 0.000 0.668 341 G HN 0.260 nan 8.290 nan 0.000 0.516 342 L N 0.371 121.580 121.223 -0.023 0.000 2.741 342 L HA 0.558 4.898 4.340 -0.000 0.000 0.237 342 L C 1.195 178.060 176.870 -0.009 0.000 1.178 342 L CA 0.504 55.341 54.840 -0.005 0.000 0.973 342 L CB 0.344 42.411 42.059 0.013 0.000 1.255 342 L HN 0.799 nan 8.230 nan 0.000 0.498 343 G N 0.534 109.319 108.800 -0.026 0.000 2.151 343 G HA2 0.056 4.016 3.960 -0.000 0.000 0.183 343 G HA3 0.056 4.016 3.960 -0.000 0.000 0.183 343 G C -0.586 174.287 174.900 -0.046 0.000 1.472 343 G CA -1.030 44.059 45.100 -0.019 0.000 1.060 343 G HN 0.218 nan 8.290 nan 0.000 0.641 344 E N 0.656 120.831 120.200 -0.041 0.000 2.442 344 E HA 0.574 4.924 4.350 -0.000 0.000 0.260 344 E C 0.043 176.623 176.600 -0.034 0.000 1.148 344 E CA -0.476 55.869 56.400 -0.092 0.000 0.976 344 E CB 1.404 31.102 29.700 -0.004 0.000 0.967 344 E HN 1.245 nan 8.360 nan 0.000 0.454 345 L N 0.731 121.910 121.223 -0.072 0.000 2.549 345 L HA 0.422 4.762 4.340 -0.000 0.000 0.259 345 L C -1.868 175.033 176.870 0.051 0.000 0.934 345 L CA -0.782 54.055 54.840 -0.005 0.000 0.865 345 L CB 2.365 44.394 42.059 -0.050 0.000 1.352 345 L HN 0.494 nan 8.230 nan 0.000 0.410 346 V N 3.972 123.949 119.914 0.106 0.000 2.378 346 V HA 0.851 4.971 4.120 -0.000 0.000 0.288 346 V C -0.069 176.077 176.094 0.087 0.000 1.016 346 V CA -0.026 62.349 62.300 0.126 0.000 0.840 346 V CB 1.354 33.263 31.823 0.143 0.000 0.994 346 V HN 0.942 nan 8.190 nan 0.000 0.431 347 T N 3.710 118.311 114.554 0.078 0.000 2.769 347 T HA 0.342 4.692 4.350 -0.000 0.000 0.306 347 T C -1.290 173.461 174.700 0.084 0.000 1.400 347 T CA -0.806 61.357 62.100 0.106 0.000 1.007 347 T CB 1.609 70.556 68.868 0.132 0.000 1.392 347 T HN 0.766 nan 8.240 nan 0.000 0.500 348 N N 1.951 120.710 118.700 0.098 0.000 2.488 348 N HA 0.462 5.202 4.740 -0.000 0.000 0.274 348 N C -0.154 175.354 175.510 -0.004 0.000 1.111 348 N CA -0.308 52.758 53.050 0.028 0.000 0.974 348 N CB 1.304 39.785 38.487 -0.011 0.000 1.089 348 N HN 0.646 nan 8.380 nan 0.000 0.465 349 V N -1.012 118.886 119.914 -0.026 0.000 3.181 349 V HA 0.606 4.726 4.120 -0.000 0.000 0.308 349 V C -0.615 175.445 176.094 -0.056 0.000 1.214 349 V CA -1.183 61.087 62.300 -0.049 0.000 1.053 349 V CB 1.946 33.746 31.823 -0.038 0.000 1.069 349 V HN 0.703 nan 8.190 nan 0.000 0.441 353 N N 2.050 120.675 118.700 -0.126 0.000 2.442 353 N HA 0.166 4.906 4.740 -0.000 0.000 0.265 353 N C -0.079 175.385 175.510 -0.076 0.000 1.138 353 N CA 0.293 53.294 53.050 -0.081 0.000 0.956 353 N CB 0.545 38.997 38.487 -0.059 0.000 1.067 353 N HN 0.183 nan 8.380 nan 0.000 0.474 354 Q N 2.470 122.234 119.800 -0.059 0.000 2.129 354 Q HA 0.282 4.622 4.340 -0.000 0.000 0.274 354 Q C 0.536 176.517 176.000 -0.032 0.000 0.854 354 Q CA 0.043 55.818 55.803 -0.047 0.000 1.123 354 Q CB 0.624 29.335 28.738 -0.045 0.000 1.226 354 Q HN 0.916 nan 8.270 nan 0.000 0.454 355 G N 1.317 110.099 108.800 -0.030 0.000 2.284 355 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.201 355 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.201 355 G C 0.981 175.868 174.900 -0.022 0.000 0.998 355 G CA 0.297 45.383 45.100 -0.024 0.000 0.651 355 G HN 0.331 nan 8.290 nan 0.000 0.489 356 Q N 0.533 120.320 119.800 -0.022 0.000 2.291 356 Q HA 0.151 4.491 4.340 -0.000 0.000 0.205 356 Q C 0.635 176.623 176.000 -0.020 0.000 0.970 356 Q CA 1.609 57.401 55.803 -0.017 0.000 0.876 356 Q CB 0.008 28.738 28.738 -0.014 0.000 0.935 356 Q HN 0.699 nan 8.270 nan 0.000 0.455 357 V N 2.441 122.341 119.914 -0.025 0.000 2.444 357 V HA 0.314 4.434 4.120 -0.000 0.000 0.294 357 V C 0.133 176.210 176.094 -0.029 0.000 1.022 357 V CA -0.795 61.489 62.300 -0.027 0.000 0.850 357 V CB 1.746 33.553 31.823 -0.027 0.000 0.992 357 V HN 0.177 nan 8.190 nan 0.000 0.426 358 L N 4.749 125.954 121.223 -0.031 0.000 2.467 358 L HA 0.272 4.612 4.340 -0.000 0.000 0.270 358 L C 0.925 177.775 176.870 -0.033 0.000 1.205 358 L CA -0.091 54.731 54.840 -0.031 0.000 0.828 358 L CB 0.131 42.171 42.059 -0.031 0.000 1.101 358 L HN 0.837 nan 8.230 nan 0.000 0.479 359 N N 0.728 119.410 118.700 -0.029 0.000 2.725 359 N HA -0.195 4.545 4.740 -0.000 0.000 0.249 359 N C -1.113 174.381 175.510 -0.026 0.000 1.103 359 N CA 0.676 53.709 53.050 -0.029 0.000 0.707 359 N CB -1.146 37.321 38.487 -0.034 0.000 1.043 359 N HN 0.238 nan 8.380 nan 0.000 0.553 360 L N -0.150 121.059 121.223 -0.024 0.000 2.401 360 L HA 0.568 4.908 4.340 -0.000 0.000 0.266 360 L C -2.021 174.837 176.870 -0.020 0.000 0.991 360 L CA -1.811 53.018 54.840 -0.018 0.000 0.818 360 L CB 1.612 43.662 42.059 -0.015 0.000 1.321 360 L HN -0.207 nan 8.230 nan 0.000 0.413 361 P HA 0.170 nan 4.420 nan 0.000 0.268 361 P C -0.472 176.811 177.300 -0.028 0.000 1.208 361 P CA -0.105 62.983 63.100 -0.020 0.000 0.777 361 P CB 0.350 32.040 31.700 -0.015 0.000 0.875 362 I N -0.093 120.458 120.570 -0.032 0.000 2.662 362 I HA 0.100 4.270 4.170 -0.000 0.000 0.291 362 I C 0.574 176.658 176.117 -0.055 0.000 1.046 362 I CA -0.084 61.189 61.300 -0.044 0.000 1.361 362 I CB 0.646 38.622 38.000 -0.040 0.000 1.429 362 I HN 0.391 nan 8.210 nan 0.000 0.558 363 Q N 2.055 121.805 119.800 -0.084 0.000 3.367 363 Q HA -0.188 4.152 4.340 -0.000 0.000 0.180 363 Q C 0.501 176.434 176.000 -0.112 0.000 1.072 363 Q CA 1.324 57.059 55.803 -0.114 0.000 1.061 363 Q CB -2.012 26.682 28.738 -0.075 0.000 0.903 363 Q HN 1.038 nan 8.270 nan 0.000 1.058 364 A N 2.233 125.010 122.820 -0.072 0.000 2.498 364 A HA 0.362 4.682 4.320 -0.000 0.000 0.239 364 A C 0.667 178.208 177.584 -0.071 0.000 1.068 364 A CA -0.065 51.941 52.037 -0.052 0.000 0.766 364 A CB 0.102 19.087 19.000 -0.025 0.000 1.003 364 A HN 0.217 nan 8.150 nan 0.000 0.497 365 I N 3.458 123.993 120.570 -0.059 0.000 2.436 365 I HA 0.234 4.404 4.170 -0.000 0.000 0.289 365 I C 0.438 176.528 176.117 -0.046 0.000 1.083 365 I CA 0.444 61.705 61.300 -0.065 0.000 1.372 365 I CB -0.280 37.690 38.000 -0.050 0.000 1.408 365 I HN 0.471 nan 8.210 nan 0.000 0.516 366 V N 3.263 123.145 119.914 -0.053 0.000 2.914 366 V HA 0.622 4.742 4.120 -0.000 0.000 0.314 366 V C -0.446 175.620 176.094 -0.046 0.000 1.084 366 V CA -0.952 61.325 62.300 -0.038 0.000 0.963 366 V CB 2.339 34.143 31.823 -0.031 0.000 1.025 366 V HN 0.759 nan 8.190 nan 0.000 0.432 367 E N 1.968 122.142 120.200 -0.045 0.000 2.134 367 E HA 0.695 5.045 4.350 -0.000 0.000 0.278 367 E C -0.369 176.207 176.600 -0.039 0.000 0.959 367 E CA -0.119 56.248 56.400 -0.055 0.000 0.783 367 E CB 1.372 31.023 29.700 -0.081 0.000 1.095 367 E HN 1.182 nan 8.360 nan 0.000 0.399 368 T N 1.175 115.711 114.554 -0.030 0.000 2.787 368 T HA 0.371 4.720 4.350 -0.000 0.000 0.297 368 T C -0.285 174.413 174.700 -0.003 0.000 1.221 368 T CA -1.155 60.936 62.100 -0.015 0.000 1.006 368 T CB 0.864 69.726 68.868 -0.010 0.000 1.328 368 T HN 0.277 nan 8.240 nan 0.000 0.509 369 N N 0.727 119.434 118.700 0.012 0.000 2.395 369 N HA 0.530 5.270 4.740 -0.000 0.000 0.246 369 N C -0.318 175.214 175.510 0.036 0.000 1.246 369 N CA 0.225 53.294 53.050 0.031 0.000 0.879 369 N CB 0.811 39.323 38.487 0.041 0.000 1.098 369 N HN 1.036 nan 8.380 nan 0.000 0.444 370 A N 1.063 123.913 122.820 0.049 0.000 2.498 370 A HA 0.562 4.882 4.320 -0.000 0.000 0.298 370 A C -1.325 176.328 177.584 0.115 0.000 1.075 370 A CA -0.700 51.375 52.037 0.064 0.000 0.714 370 A CB 1.012 20.024 19.000 0.020 0.000 1.299 370 A HN 0.484 nan 8.150 nan 0.000 0.407 371 F N 2.365 122.297 119.950 -0.030 0.000 2.405 371 F HA 0.685 5.212 4.527 0.000 0.000 0.355 371 F C -0.582 175.180 175.800 -0.062 0.000 1.121 371 F CA -1.192 56.787 58.000 -0.035 0.000 1.112 371 F CB 0.414 39.400 39.000 -0.024 0.000 1.126 371 F HN 0.373 nan 8.300 nan 0.000 0.481 372 I N 6.313 126.568 120.570 -0.525 0.000 2.378 372 I HA 0.421 4.591 4.170 -0.000 0.000 0.291 372 I C 0.048 175.726 176.117 -0.733 0.000 0.992 372 I CA -0.388 60.585 61.300 -0.545 0.000 1.154 372 I CB 1.857 39.649 38.000 -0.346 0.000 1.315 372 I HN 0.637 nan 8.210 nan 0.000 0.448 373 T N 4.343 118.520 114.554 -0.629 0.000 2.618 373 T HA 0.297 4.647 4.350 -0.000 0.000 0.293 373 T C -0.641 173.885 174.700 -0.290 0.000 1.093 373 T CA -0.747 61.076 62.100 -0.462 0.000 1.061 373 T CB 1.510 70.081 68.868 -0.494 0.000 1.498 373 T HN 0.609 nan 8.240 nan 0.000 0.494 374 R N 1.945 122.343 120.500 -0.169 0.000 2.513 374 R HA -0.033 4.307 4.340 -0.000 0.000 0.333 374 R C 0.260 176.523 176.300 -0.063 0.000 0.925 374 R CA 1.041 57.084 56.100 -0.095 0.000 1.072 374 R CB -0.747 29.533 30.300 -0.033 0.000 0.914 374 R HN 0.768 nan 8.270 nan 0.000 0.408 375 N N 2.541 121.202 118.700 -0.065 0.000 2.693 375 N HA -0.235 4.505 4.740 -0.000 0.000 0.249 375 N C -1.495 174.129 175.510 0.190 0.000 1.119 375 N CA 1.348 54.488 53.050 0.151 0.000 0.717 375 N CB -0.335 38.300 38.487 0.247 0.000 1.071 375 N HN 0.645 nan 8.380 nan 0.000 0.555 376 R N -0.906 119.509 120.500 -0.142 0.000 2.538 376 R HA 0.631 4.971 4.340 -0.000 0.000 0.292 376 R C -1.317 174.782 176.300 -0.336 0.000 1.008 376 R CA -0.649 55.404 56.100 -0.077 0.000 0.896 376 R CB 1.913 32.173 30.300 -0.066 0.000 1.187 376 R HN -0.003 nan 8.270 nan 0.000 0.440 377 V N 3.897 123.681 119.914 -0.216 0.000 2.409 377 V HA 0.395 4.514 4.120 -0.000 0.000 0.290 377 V C -0.744 175.359 176.094 0.014 0.000 1.017 377 V CA -0.689 61.490 62.300 -0.202 0.000 0.841 377 V CB 1.676 33.344 31.823 -0.257 0.000 1.003 377 V HN 0.694 nan 8.190 nan 0.000 0.426 378 Q N 5.917 125.733 119.800 0.028 0.000 2.394 378 Q HA 0.387 4.727 4.340 -0.000 0.000 0.261 378 Q C -2.726 173.328 176.000 0.090 0.000 1.023 378 Q CA -1.840 54.018 55.803 0.092 0.000 0.720 378 Q CB 2.792 31.623 28.738 0.154 0.000 1.241 378 Q HN 0.450 nan 8.270 nan 0.000 0.483 379 P HA 0.034 nan 4.420 nan 0.000 0.268 379 P C -0.589 176.736 177.300 0.042 0.000 1.208 379 P CA 0.290 63.413 63.100 0.039 0.000 0.777 379 P CB 0.768 32.476 31.700 0.014 0.000 0.875 380 I N 2.137 122.727 120.570 0.033 0.000 2.377 380 I HA 0.218 4.388 4.170 -0.000 0.000 0.293 380 I C 0.296 176.417 176.117 0.006 0.000 0.987 380 I CA -0.927 60.386 61.300 0.021 0.000 1.185 380 I CB 0.958 38.973 38.000 0.025 0.000 1.341 380 I HN 0.082 nan 8.210 nan 0.000 0.455 381 L N 5.613 126.835 121.223 -0.002 0.000 2.477 381 L HA 0.085 4.425 4.340 -0.000 0.000 0.272 381 L C 0.813 177.678 176.870 -0.008 0.000 1.157 381 L CA 0.402 55.237 54.840 -0.007 0.000 0.889 381 L CB 0.478 42.531 42.059 -0.011 0.000 1.158 381 L HN 0.706 nan 8.230 nan 0.000 0.473 382 S N 1.570 117.264 115.700 -0.010 0.000 2.603 382 S HA 0.325 4.795 4.470 -0.000 0.000 0.232 382 S C 0.822 175.413 174.600 -0.014 0.000 1.016 382 S CA 0.224 58.419 58.200 -0.009 0.000 0.976 382 S CB 0.880 64.076 63.200 -0.007 0.000 0.921 382 S HN 1.073 nan 8.310 nan 0.000 0.516 383 G N 2.029 110.818 108.800 -0.017 0.000 2.525 383 G HA2 0.035 3.995 3.960 -0.000 0.000 0.248 383 G HA3 0.035 3.995 3.960 -0.000 0.000 0.248 383 G C -0.161 174.720 174.900 -0.031 0.000 1.238 383 G CA -0.489 44.598 45.100 -0.022 0.000 0.926 383 G HN 0.953 nan 8.290 nan 0.000 0.574 384 A N -0.833 121.964 122.820 -0.038 0.000 2.306 384 A HA 0.826 5.146 4.320 -0.000 0.000 0.330 384 A C 0.379 177.915 177.584 -0.080 0.000 1.146 384 A CA -0.344 51.659 52.037 -0.056 0.000 0.827 384 A CB 0.941 19.910 19.000 -0.053 0.000 1.178 384 A HN 1.204 nan 8.150 nan 0.000 0.490 385 L N 1.576 122.726 121.223 -0.122 0.000 2.466 385 L HA 0.332 4.672 4.340 -0.000 0.000 0.257 385 L C -1.833 174.907 176.870 -0.216 0.000 1.189 385 L CA -1.707 53.006 54.840 -0.210 0.000 0.813 385 L CB 0.271 42.146 42.059 -0.306 0.000 1.118 385 L HN 0.453 nan 8.230 nan 0.000 0.471 386 P HA -0.007 nan 4.420 nan 0.000 0.267 386 P C -0.078 177.092 177.300 -0.217 0.000 1.200 386 P CA -0.234 62.735 63.100 -0.218 0.000 0.772 386 P CB 0.600 32.156 31.700 -0.240 0.000 0.855 387 K N 2.910 123.241 120.400 -0.115 0.000 2.074 387 K HA -0.151 4.169 4.320 -0.000 0.000 0.209 387 K C 2.031 178.575 176.600 -0.093 0.000 1.048 387 K CA 2.373 58.608 56.287 -0.087 0.000 0.926 387 K CB -1.258 31.217 32.500 -0.042 0.000 0.713 387 K HN 0.596 nan 8.250 nan 0.000 0.444 388 G N -0.566 108.201 108.800 -0.056 0.000 2.422 388 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.218 388 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.218 388 G C 1.466 176.210 174.900 -0.260 0.000 1.140 388 G CA 0.892 45.991 45.100 -0.002 0.000 0.775 388 G HN 0.219 nan 8.290 nan 0.000 0.545 389 V N 0.385 119.948 119.914 -0.584 0.000 2.488 389 V HA 0.020 4.140 4.120 -0.000 0.000 0.246 389 V C 1.581 177.481 176.094 -0.322 0.000 1.046 389 V CA 0.895 62.745 62.300 -0.750 0.000 1.053 389 V CB -0.201 30.719 31.823 -1.505 0.000 0.679 389 V HN 0.541 nan 8.190 nan 0.000 0.458 393 A N 0.615 123.576 122.820 0.234 0.000 1.898 393 A HA -0.002 4.317 4.320 -0.000 0.000 0.216 393 A C 2.274 179.947 177.584 0.148 0.000 1.181 393 A CA 2.106 54.299 52.037 0.261 0.000 0.620 393 A CB -0.556 18.579 19.000 0.225 0.000 0.819 393 A HN 0.417 nan 8.150 nan 0.000 0.442 394 A N -0.190 122.669 122.820 0.066 0.000 1.908 394 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 394 A C 2.253 179.843 177.584 0.011 0.000 1.181 394 A CA 1.904 53.957 52.037 0.026 0.000 0.627 394 A CB -0.511 18.488 19.000 -0.002 0.000 0.818 394 A HN 0.579 nan 8.150 nan 0.000 0.445 395 R N -1.448 119.039 120.500 -0.022 0.000 2.073 395 R HA -0.166 4.174 4.340 -0.000 0.000 0.234 395 R C 2.166 178.393 176.300 -0.122 0.000 1.134 395 R CA 1.616 57.655 56.100 -0.102 0.000 0.952 395 R CB -0.446 29.747 30.300 -0.180 0.000 0.850 395 R HN 0.674 nan 8.270 nan 0.000 0.433 396 H N 0.264 119.330 119.070 -0.006 0.000 2.387 396 H HA -0.105 4.451 4.556 -0.000 0.000 0.299 396 H C 2.237 177.576 175.328 0.019 0.000 1.090 396 H CA 1.787 57.837 56.048 0.005 0.000 1.332 396 H CB -0.095 29.708 29.762 0.068 0.000 1.386 396 H HN 0.281 nan 8.280 nan 0.000 0.516 397 I N 0.133 120.790 120.570 0.145 0.000 2.226 397 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 397 I C 2.590 178.730 176.117 0.040 0.000 1.100 397 I CA 0.750 62.099 61.300 0.082 0.000 1.374 397 I CB -0.231 37.805 38.000 0.060 0.000 1.057 397 I HN 0.066 nan 8.210 nan 0.000 0.413 398 S N 0.930 116.639 115.700 0.016 0.000 2.372 398 S HA -0.226 4.244 4.470 -0.000 0.000 0.227 398 S C 1.752 176.350 174.600 -0.003 0.000 1.044 398 S CA 1.824 60.020 58.200 -0.006 0.000 1.050 398 S CB -0.393 62.789 63.200 -0.031 0.000 0.901 398 S HN 0.451 nan 8.310 nan 0.000 0.447 399 N N 1.038 119.736 118.700 -0.003 0.000 2.142 399 N HA -0.060 4.680 4.740 -0.000 0.000 0.186 399 N C 1.866 177.396 175.510 0.033 0.000 1.023 399 N CA 0.971 54.024 53.050 0.005 0.000 0.852 399 N CB -0.460 38.023 38.487 -0.007 0.000 0.998 399 N HN 0.535 nan 8.380 nan 0.000 0.424 400 Q N 0.582 120.409 119.800 0.045 0.000 2.079 400 Q HA -0.054 4.286 4.340 -0.000 0.000 0.200 400 Q C 1.650 177.668 176.000 0.030 0.000 0.974 400 Q CA 0.897 56.725 55.803 0.042 0.000 0.840 400 Q CB 0.031 28.797 28.738 0.046 0.000 0.898 400 Q HN 0.352 nan 8.270 nan 0.000 0.430 401 E N 0.490 120.705 120.200 0.024 0.000 2.110 401 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 401 E C 1.965 178.580 176.600 0.024 0.000 0.988 401 E CA 1.142 57.554 56.400 0.019 0.000 0.804 401 E CB -0.163 29.544 29.700 0.012 0.000 0.745 401 E HN 0.358 nan 8.360 nan 0.000 0.458 402 A N 1.055 123.889 122.820 0.024 0.000 1.930 402 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 402 A C 2.601 180.214 177.584 0.047 0.000 1.175 402 A CA 1.246 53.300 52.037 0.029 0.000 0.627 402 A CB -0.553 18.458 19.000 0.018 0.000 0.815 402 A HN 0.122 nan 8.150 nan 0.000 0.443 403 V N -0.161 119.786 119.914 0.055 0.000 2.307 403 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 403 V C 3.059 179.188 176.094 0.060 0.000 1.045 403 V CA 1.787 64.131 62.300 0.073 0.000 1.024 403 V CB -1.277 30.593 31.823 0.078 0.000 0.651 403 V HN 0.608 nan 8.190 nan 0.000 0.449 404 A N 0.081 122.926 122.820 0.043 0.000 1.865 404 A HA -0.291 4.029 4.320 -0.000 0.000 0.217 404 A C 2.039 179.651 177.584 0.047 0.000 1.191 404 A CA 2.239 54.300 52.037 0.039 0.000 0.623 404 A CB -0.720 18.298 19.000 0.030 0.000 0.826 404 A HN 0.550 nan 8.150 nan 0.000 0.444 405 D N -0.063 120.363 120.400 0.044 0.000 2.084 405 D HA -0.090 4.550 4.640 -0.000 0.000 0.194 405 D C 2.314 178.644 176.300 0.051 0.000 0.990 405 D CA 1.687 55.713 54.000 0.043 0.000 0.826 405 D CB -0.591 40.230 40.800 0.035 0.000 0.971 405 D HN 0.417 nan 8.370 nan 0.000 0.453 406 A N 0.883 123.738 122.820 0.059 0.000 1.940 406 A HA -0.103 4.216 4.320 -0.000 0.000 0.219 406 A C 2.368 179.996 177.584 0.073 0.000 1.176 406 A CA 2.297 54.377 52.037 0.071 0.000 0.631 406 A CB -1.060 17.997 19.000 0.094 0.000 0.814 406 A HN 0.330 nan 8.150 nan 0.000 0.446 407 G N -0.774 108.069 108.800 0.073 0.000 2.421 407 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.217 407 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.217 407 G C 1.538 176.476 174.900 0.063 0.000 1.143 407 G CA 0.866 46.009 45.100 0.071 0.000 0.784 407 G HN 0.424 nan 8.290 nan 0.000 0.541 408 L N 0.788 122.046 121.223 0.059 0.000 2.022 408 L HA -0.009 4.331 4.340 -0.000 0.000 0.204 408 L C 3.198 180.095 176.870 0.045 0.000 1.076 408 L CA 1.704 56.575 54.840 0.053 0.000 0.749 408 L CB -0.769 41.320 42.059 0.050 0.000 0.903 408 L HN 0.352 nan 8.230 nan 0.000 0.439 409 T N -3.650 110.930 114.554 0.043 0.000 3.163 409 T HA -0.073 4.277 4.350 -0.000 0.000 0.260 409 T C 1.076 175.800 174.700 0.040 0.000 1.156 409 T CA 0.198 62.321 62.100 0.038 0.000 1.072 409 T CB -0.049 68.840 68.868 0.035 0.000 0.937 409 T HN 0.241 nan 8.240 nan 0.000 0.528 410 K N 0.107 120.535 120.400 0.048 0.000 3.472 410 K HA -0.150 4.170 4.320 -0.000 0.000 0.315 410 K C -0.429 176.208 176.600 0.061 0.000 1.320 410 K CA 0.990 57.307 56.287 0.050 0.000 0.962 410 K CB -1.535 30.988 32.500 0.038 0.000 1.251 410 K HN 0.523 nan 8.250 nan 0.000 0.443 411 D N 1.727 122.166 120.400 0.065 0.000 2.441 411 D HA 0.016 4.656 4.640 -0.000 0.000 0.243 411 D C 1.378 177.740 176.300 0.103 0.000 1.257 411 D CA 0.963 55.005 54.000 0.070 0.000 1.027 411 D CB 0.529 41.364 40.800 0.058 0.000 1.084 411 D HN 0.341 nan 8.370 nan 0.000 0.514 412 T N -0.252 114.375 114.554 0.121 0.000 2.849 412 T HA -0.124 4.226 4.350 -0.000 0.000 0.270 412 T C 1.987 176.785 174.700 0.163 0.000 1.066 412 T CA 1.027 63.253 62.100 0.210 0.000 1.130 412 T CB -0.269 68.731 68.868 0.221 0.000 0.864 412 T HN 0.284 nan 8.240 nan 0.000 0.481 413 G N 1.570 110.429 108.800 0.099 0.000 2.446 413 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.217 413 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.217 413 G C 1.427 176.369 174.900 0.070 0.000 1.168 413 G CA 1.040 46.188 45.100 0.080 0.000 0.771 413 G HN 0.480 nan 8.290 nan 0.000 0.551 414 L N 1.301 122.560 121.223 0.061 0.000 2.056 414 L HA 0.246 4.586 4.340 -0.000 0.000 0.207 414 L C 3.088 179.984 176.870 0.044 0.000 1.078 414 L CA 1.975 56.839 54.840 0.041 0.000 0.749 414 L CB -0.810 41.275 42.059 0.043 0.000 0.901 414 L HN 0.244 nan 8.230 nan 0.000 0.433 415 A N -1.142 121.736 122.820 0.097 0.000 1.978 415 A HA -0.271 4.049 4.320 -0.000 0.000 0.220 415 A C 2.233 179.818 177.584 0.002 0.000 1.170 415 A CA 1.825 53.952 52.037 0.150 0.000 0.636 415 A CB -1.087 18.112 19.000 0.332 0.000 0.810 415 A HN 0.512 nan 8.150 nan 0.000 0.448 416 F N 0.628 120.315 119.950 -0.437 0.000 2.186 416 F HA -0.117 4.410 4.527 0.000 0.000 0.299 416 F C 2.397 178.029 175.800 -0.280 0.000 1.090 416 F CA 1.648 59.176 58.000 -0.787 0.000 1.307 416 F CB -0.256 38.226 39.000 -0.863 0.000 1.019 416 F HN 0.219 nan 8.300 nan 0.000 0.489 417 Q N 0.559 120.202 119.800 -0.262 0.000 2.096 417 Q HA -0.175 4.165 4.340 -0.000 0.000 0.204 417 Q C 2.548 178.428 176.000 -0.199 0.000 0.982 417 Q CA 1.634 57.281 55.803 -0.260 0.000 0.850 417 Q CB -1.262 27.403 28.738 -0.122 0.000 0.901 417 Q HN 0.501 nan 8.270 nan 0.000 0.422 418 A N 0.469 123.232 122.820 -0.095 0.000 1.877 418 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 418 A C 2.026 179.589 177.584 -0.034 0.000 1.186 418 A CA 1.294 53.306 52.037 -0.041 0.000 0.620 418 A CB -1.034 17.985 19.000 0.033 0.000 0.822 418 A HN 0.341 nan 8.150 nan 0.000 0.443 419 F N 0.438 120.284 119.950 -0.174 0.000 2.087 419 F HA -0.228 4.299 4.527 -0.000 0.000 0.299 419 F C 1.996 177.656 175.800 -0.232 0.000 1.100 419 F CA 2.024 59.942 58.000 -0.137 0.000 1.226 419 F CB -0.141 38.796 39.000 -0.105 0.000 0.983 419 F HN 0.148 nan 8.300 nan 0.000 0.479 420 L N -0.271 120.787 121.223 -0.274 0.000 2.275 420 L HA -0.186 4.154 4.340 -0.000 0.000 0.215 420 L C 1.555 178.278 176.870 -0.245 0.000 1.119 420 L CA 1.122 55.765 54.840 -0.329 0.000 0.790 420 L CB -0.616 41.151 42.059 -0.487 0.000 0.919 420 L HN 0.170 nan 8.230 nan 0.000 0.443 421 N N -0.541 118.028 118.700 -0.218 0.000 2.398 421 N HA -0.079 4.661 4.740 -0.000 0.000 0.188 421 N C 0.198 175.583 175.510 -0.209 0.000 1.122 421 N CA 0.075 53.013 53.050 -0.186 0.000 0.866 421 N CB 0.115 38.509 38.487 -0.155 0.000 0.970 421 N HN 0.130 nan 8.380 nan 0.000 0.462 422 D N 0.068 120.330 120.400 -0.231 0.000 2.277 422 D HA 0.110 4.750 4.640 -0.000 0.000 0.249 422 D C -1.712 174.459 176.300 -0.216 0.000 1.134 422 D CA -1.911 51.945 54.000 -0.240 0.000 0.863 422 D CB 1.708 42.360 40.800 -0.246 0.000 1.143 422 D HN 0.055 nan 8.370 nan 0.000 0.458 423 P HA -0.119 nan 4.420 nan 0.000 0.218 423 P C 1.406 178.653 177.300 -0.087 0.000 1.146 423 P CA 0.923 63.949 63.100 -0.123 0.000 0.820 423 P CB 0.260 31.912 31.700 -0.080 0.000 0.778 424 L N -2.051 119.109 121.223 -0.105 0.000 2.418 424 L HA 0.008 4.348 4.340 -0.000 0.000 0.218 424 L C 0.581 177.381 176.870 -0.117 0.000 1.125 424 L CA 0.316 55.104 54.840 -0.085 0.000 0.835 424 L CB -0.159 41.852 42.059 -0.079 0.000 0.953 424 L HN -0.225 nan 8.230 nan 0.000 0.454 425 V N 1.199 121.000 119.914 -0.188 0.000 2.162 425 V HA 0.056 4.176 4.120 -0.000 0.000 0.255 425 V C 0.291 176.318 176.094 -0.112 0.000 1.304 425 V CA 0.089 62.268 62.300 -0.202 0.000 1.198 425 V CB 0.011 31.599 31.823 -0.392 0.000 1.333 425 V HN 0.359 nan 8.190 nan 0.000 0.493 426 Q N 4.490 124.254 119.800 -0.060 0.000 2.819 426 Q HA 0.509 4.849 4.340 -0.000 0.000 0.392 426 Q C -0.141 175.855 176.000 -0.006 0.000 1.088 426 Q CA -0.029 55.755 55.803 -0.032 0.000 1.062 426 Q CB 0.686 29.412 28.738 -0.019 0.000 1.369 426 Q HN 0.904 nan 8.270 nan 0.000 0.434 427 I N -4.510 116.063 120.570 0.005 0.000 3.239 427 I HA 0.565 4.735 4.170 -0.000 0.000 0.314 427 I C -0.673 175.469 176.117 0.042 0.000 1.126 427 I CA -1.459 59.860 61.300 0.031 0.000 0.973 427 I CB 1.871 39.902 38.000 0.052 0.000 1.252 427 I HN -0.182 nan 8.210 nan 0.000 0.463 428 D N 1.581 122.012 120.400 0.052 0.000 2.400 428 D HA 0.087 4.727 4.640 -0.000 0.000 0.238 428 D C 0.890 177.243 176.300 0.088 0.000 1.157 428 D CA 0.082 54.116 54.000 0.056 0.000 0.889 428 D CB 1.263 42.093 40.800 0.051 0.000 1.199 428 D HN 0.568 nan 8.370 nan 0.000 0.436 429 R N 0.884 121.436 120.500 0.087 0.000 2.096 429 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 429 R C 1.860 178.275 176.300 0.193 0.000 1.127 429 R CA 1.673 57.857 56.100 0.140 0.000 0.968 429 R CB 0.032 30.398 30.300 0.109 0.000 0.861 429 R HN 0.507 nan 8.270 nan 0.000 0.440 430 S N -0.198 115.577 115.700 0.124 0.000 2.436 430 S HA -0.057 4.413 4.470 -0.000 0.000 0.228 430 S C 1.302 175.964 174.600 0.103 0.000 1.014 430 S CA 0.863 59.123 58.200 0.101 0.000 0.950 430 S CB 0.022 63.259 63.200 0.062 0.000 0.784 430 S HN 0.262 nan 8.310 nan 0.000 0.504 431 D N 2.582 123.049 120.400 0.112 0.000 2.117 431 D HA 0.072 4.711 4.640 -0.000 0.000 0.198 431 D C 2.276 178.685 176.300 0.181 0.000 0.982 431 D CA 1.476 55.545 54.000 0.115 0.000 0.828 431 D CB -0.630 40.229 40.800 0.098 0.000 0.967 431 D HN 0.519 nan 8.370 nan 0.000 0.464 432 A N 0.759 123.734 122.820 0.258 0.000 1.902 432 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 432 A C 2.117 179.978 177.584 0.462 0.000 1.181 432 A CA 1.662 53.970 52.037 0.451 0.000 0.623 432 A CB -0.523 18.766 19.000 0.481 0.000 0.818 432 A HN 0.227 nan 8.150 nan 0.000 0.443 433 E N -1.086 119.286 120.200 0.287 0.000 2.106 433 E HA -0.239 4.111 4.350 -0.000 0.000 0.192 433 E C 2.212 178.771 176.600 -0.070 0.000 0.984 433 E CA 1.239 57.561 56.400 -0.130 0.000 0.806 433 E CB -0.066 29.504 29.700 -0.217 0.000 0.750 433 E HN 0.603 nan 8.360 nan 0.000 0.458 434 Q N 0.635 120.445 119.800 0.017 0.000 2.050 434 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 434 Q C 2.079 178.091 176.000 0.019 0.000 0.980 434 Q CA 1.265 57.072 55.803 0.007 0.000 0.840 434 Q CB -0.429 28.325 28.738 0.027 0.000 0.898 434 Q HN 0.324 nan 8.270 nan 0.000 0.424 435 L N -0.223 121.053 121.223 0.089 0.000 1.994 435 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 435 L C 2.118 179.000 176.870 0.020 0.000 1.071 435 L CA 2.024 56.931 54.840 0.110 0.000 0.745 435 L CB -1.169 41.039 42.059 0.250 0.000 0.892 435 L HN 0.405 nan 8.230 nan 0.000 0.431 436 F N 0.642 120.443 119.950 -0.249 0.000 2.069 436 F HA -0.280 4.247 4.527 -0.000 0.000 0.298 436 F C 2.305 177.900 175.800 -0.341 0.000 1.113 436 F CA 2.103 59.751 58.000 -0.588 0.000 1.214 436 F CB -0.505 37.974 39.000 -0.867 0.000 0.978 436 F HN 0.255 nan 8.300 nan 0.000 0.474 437 N N 0.785 119.364 118.700 -0.202 0.000 2.104 437 N HA -0.144 4.596 4.740 -0.000 0.000 0.190 437 N C 0.487 175.867 175.510 -0.217 0.000 1.024 437 N CA 1.256 54.168 53.050 -0.230 0.000 0.853 437 N CB -0.869 37.543 38.487 -0.124 0.000 1.008 437 N HN 0.331 nan 8.380 nan 0.000 0.424 440 L N 0.000 121.001 121.223 -0.370 0.000 2.949 440 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 440 L CA 0.000 54.656 54.840 -0.307 0.000 0.813 440 L CB 0.000 41.828 42.059 -0.386 0.000 0.961 440 L HN 0.000 nan 8.230 nan 0.000 0.502