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_B 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 0.000 176.826 176.870 -0.073 0.000 1.165 7 L CA 0.000 54.823 54.840 -0.029 0.000 0.813 7 L CB 0.000 42.060 42.059 0.001 0.000 0.961 8 D N 3.144 123.493 120.400 -0.085 0.000 2.384 8 D HA 0.504 5.144 4.640 -0.000 0.000 0.250 8 D C -0.207 176.019 176.300 -0.124 0.000 1.029 8 D CA 0.073 53.988 54.000 -0.141 0.000 0.990 8 D CB 1.320 42.048 40.800 -0.120 0.000 1.175 8 D HN 0.575 nan 8.370 nan 0.000 0.532 9 Q N -0.591 119.109 119.800 -0.167 0.000 2.494 9 Q HA -0.161 4.179 4.340 -0.000 0.000 0.266 9 Q C -0.237 175.724 176.000 -0.065 0.000 1.053 9 Q CA 0.245 55.981 55.803 -0.112 0.000 1.029 9 Q CB -0.898 27.802 28.738 -0.063 0.000 1.423 9 Q HN 0.382 nan 8.270 nan 0.000 0.516 10 I N 1.216 121.734 120.570 -0.086 0.000 2.648 10 I HA 0.048 4.218 4.170 -0.000 0.000 0.284 10 I C 0.684 176.880 176.117 0.132 0.000 1.153 10 I CA 0.827 62.163 61.300 0.060 0.000 1.426 10 I CB 0.623 38.740 38.000 0.194 0.000 1.381 10 I HN 0.083 nan 8.210 nan 0.000 0.571 11 K N 7.030 127.519 120.400 0.148 0.000 2.358 11 K HA 0.599 4.919 4.320 -0.000 0.000 0.260 11 K C -1.173 175.530 176.600 0.172 0.000 0.956 11 K CA -0.481 55.902 56.287 0.160 0.000 0.834 11 K CB 1.079 33.635 32.500 0.094 0.000 1.102 11 K HN 0.509 nan 8.250 nan 0.000 0.431 12 I N 3.672 124.354 120.570 0.187 0.000 2.354 12 I HA 0.361 4.531 4.170 -0.000 0.000 0.292 12 I C -0.238 175.951 176.117 0.121 0.000 0.989 12 I CA -0.885 60.492 61.300 0.128 0.000 1.188 12 I CB 1.911 39.951 38.000 0.065 0.000 1.342 12 I HN 0.705 nan 8.210 nan 0.000 0.457 13 A N 6.549 129.431 122.820 0.103 0.000 2.290 13 A HA 0.457 4.777 4.320 -0.000 0.000 0.310 13 A C -1.333 176.333 177.584 0.137 0.000 1.202 13 A CA -0.242 51.864 52.037 0.115 0.000 0.837 13 A CB 0.351 19.393 19.000 0.071 0.000 1.139 13 A HN 0.697 nan 8.150 nan 0.000 0.509 14 Y N 3.354 123.712 120.300 0.096 0.000 2.388 14 Y HA 0.518 5.068 4.550 -0.000 0.000 0.328 14 Y C -0.445 175.540 175.900 0.141 0.000 0.963 14 Y CA -0.605 57.561 58.100 0.111 0.000 1.240 14 Y CB 0.954 39.478 38.460 0.108 0.000 1.118 14 Y HN 0.565 nan 8.280 nan 0.000 0.484 15 I N 5.968 126.648 120.570 0.184 0.000 2.301 15 I HA 0.353 4.523 4.170 -0.000 0.000 0.292 15 I C 0.763 177.061 176.117 0.301 0.000 1.046 15 I CA 0.053 61.512 61.300 0.264 0.000 1.282 15 I CB 0.794 38.858 38.000 0.107 0.000 1.409 15 I HN 0.990 nan 8.210 nan 0.000 0.484 16 G N 4.142 113.145 108.800 0.339 0.000 2.173 16 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.174 16 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.174 16 G C 0.776 175.860 174.900 0.307 0.000 1.025 16 G CA -0.203 45.071 45.100 0.291 0.000 0.706 16 G HN 0.891 nan 8.290 nan 0.000 0.499 17 G N 0.053 108.979 108.800 0.209 0.000 2.679 17 G HA2 0.329 4.289 3.960 -0.000 0.000 0.212 17 G HA3 0.329 4.289 3.960 -0.000 0.000 0.212 17 G C 1.371 176.163 174.900 -0.179 0.000 1.137 17 G CA 1.196 46.255 45.100 -0.070 0.000 0.787 17 G HN 1.400 nan 8.290 nan 0.000 0.534 18 G N 0.105 108.839 108.800 -0.110 0.000 3.141 18 G HA2 0.244 4.204 3.960 -0.000 0.000 0.218 18 G HA3 0.244 4.204 3.960 -0.000 0.000 0.218 18 G C 0.774 175.628 174.900 -0.076 0.000 1.170 18 G CA 0.506 45.535 45.100 -0.119 0.000 0.769 18 G HN 0.467 nan 8.290 nan 0.000 0.546 19 S N -0.222 115.449 115.700 -0.049 0.000 2.549 19 S HA 0.063 4.533 4.470 -0.000 0.000 0.286 19 S C 0.950 175.526 174.600 -0.041 0.000 1.314 19 S CA 0.008 58.217 58.200 0.016 0.000 1.062 19 S CB 0.916 64.197 63.200 0.136 0.000 0.865 19 S HN 0.441 nan 8.310 nan 0.000 0.498 20 Q N 3.031 122.817 119.800 -0.022 0.000 2.204 20 Q HA 0.243 4.582 4.340 -0.000 0.000 0.209 20 Q C 1.154 177.113 176.000 -0.068 0.000 0.861 20 Q CA 0.115 55.885 55.803 -0.054 0.000 0.971 20 Q CB 0.567 29.277 28.738 -0.046 0.000 1.095 20 Q HN 0.919 nan 8.270 nan 0.000 0.486 21 G N -0.605 108.159 108.800 -0.060 0.000 2.449 21 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.192 21 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.192 21 G C 0.248 175.032 174.900 -0.192 0.000 1.776 21 G CA -0.254 44.745 45.100 -0.167 0.000 0.699 21 G HN 0.312 nan 8.290 nan 0.000 0.745 22 W N 1.689 122.965 121.300 -0.040 0.000 2.321 22 W HA 0.059 4.719 4.660 -0.000 0.000 0.306 22 W C 2.983 179.481 176.519 -0.035 0.000 1.217 22 W CA 1.593 58.875 57.345 -0.105 0.000 1.257 22 W CB -0.133 29.204 29.460 -0.204 0.000 1.145 22 W HN 0.339 nan 8.180 nan 0.000 0.509 23 A N 0.433 123.346 122.820 0.155 0.000 1.902 23 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 23 A C 2.106 179.626 177.584 -0.107 0.000 1.181 23 A CA 1.455 53.407 52.037 -0.141 0.000 0.623 23 A CB -0.590 18.113 19.000 -0.494 0.000 0.818 23 A HN 0.103 nan 8.150 nan 0.000 0.443 24 R N -0.199 120.240 120.500 -0.103 0.000 2.083 24 R HA -0.102 4.237 4.340 -0.000 0.000 0.237 24 R C 2.570 178.829 176.300 -0.068 0.000 1.137 24 R CA 1.545 57.582 56.100 -0.105 0.000 0.951 24 R CB -1.407 28.829 30.300 -0.107 0.000 0.851 24 R HN 0.570 nan 8.270 nan 0.000 0.434 25 S N 0.658 116.324 115.700 -0.056 0.000 2.382 25 S HA -0.092 4.378 4.470 -0.000 0.000 0.228 25 S C 1.153 175.769 174.600 0.026 0.000 1.027 25 S CA 0.389 58.568 58.200 -0.035 0.000 0.991 25 S CB -0.208 62.946 63.200 -0.076 0.000 0.823 25 S HN 0.140 nan 8.310 nan 0.000 0.469 29 D N 2.273 122.684 120.400 0.019 0.000 2.149 29 D HA 0.079 4.719 4.640 -0.000 0.000 0.201 29 D C 1.873 178.190 176.300 0.028 0.000 0.972 29 D CA 0.855 54.872 54.000 0.028 0.000 0.835 29 D CB -0.240 40.583 40.800 0.038 0.000 0.966 29 D HN 0.309 nan 8.370 nan 0.000 0.476 30 L N 1.221 122.428 121.223 -0.027 0.000 2.079 30 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 30 L C 2.547 179.491 176.870 0.123 0.000 1.081 30 L CA 1.363 56.150 54.840 -0.088 0.000 0.752 30 L CB -0.533 41.223 42.059 -0.505 0.000 0.896 30 L HN 0.088 nan 8.230 nan 0.000 0.433 31 S N 0.389 116.161 115.700 0.120 0.000 2.447 31 S HA -0.128 4.342 4.470 -0.000 0.000 0.233 31 S C 1.717 176.403 174.600 0.144 0.000 1.006 31 S CA 0.994 59.298 58.200 0.173 0.000 0.957 31 S CB -0.514 62.762 63.200 0.126 0.000 0.773 31 S HN 0.626 nan 8.310 nan 0.000 0.507 32 I N -2.097 118.538 120.570 0.108 0.000 3.968 32 I HA 0.379 4.549 4.170 -0.000 0.000 0.328 32 I C 0.027 176.201 176.117 0.095 0.000 1.290 32 I CA -0.262 61.090 61.300 0.087 0.000 1.163 32 I CB 0.047 38.081 38.000 0.056 0.000 1.024 32 I HN -0.020 nan 8.210 nan 0.000 0.413 33 D N 3.184 123.661 120.400 0.128 0.000 2.339 33 D HA 0.082 4.722 4.640 -0.000 0.000 0.241 33 D C 0.562 176.949 176.300 0.145 0.000 1.183 33 D CA 0.048 54.124 54.000 0.128 0.000 0.859 33 D CB 1.071 41.956 40.800 0.141 0.000 1.067 33 D HN 0.380 nan 8.370 nan 0.000 0.484 34 E N 2.712 122.969 120.200 0.095 0.000 2.481 34 E HA -0.003 4.347 4.350 -0.000 0.000 0.195 34 E C 0.681 177.316 176.600 0.059 0.000 1.047 34 E CA 0.095 56.538 56.400 0.072 0.000 0.867 34 E CB 0.675 30.404 29.700 0.048 0.000 0.858 34 E HN 0.321 nan 8.360 nan 0.000 0.513 38 G N 0.418 108.304 108.800 -1.523 0.000 2.455 38 G HA2 0.578 4.538 3.960 -0.000 0.000 0.223 38 G HA3 0.578 4.538 3.960 -0.000 0.000 0.223 38 G C -0.754 173.961 174.900 -0.309 0.000 1.226 38 G CA 0.337 44.992 45.100 -0.741 0.000 0.948 38 G HN 1.988 nan 8.290 nan 0.000 0.478 39 T N -2.155 112.440 114.554 0.068 0.000 2.908 39 T HA 0.713 5.063 4.350 -0.000 0.000 0.290 39 T C -0.968 173.858 174.700 0.211 0.000 1.034 39 T CA -0.722 61.460 62.100 0.137 0.000 1.010 39 T CB 2.051 70.949 68.868 0.051 0.000 1.068 39 T HN 1.099 nan 8.240 nan 0.000 0.481 40 V N 1.755 121.665 119.914 -0.006 0.000 2.378 40 V HA 0.688 4.808 4.120 -0.000 0.000 0.288 40 V C 0.460 176.588 176.094 0.057 0.000 1.016 40 V CA -1.068 61.212 62.300 -0.034 0.000 0.840 40 V CB 0.958 32.610 31.823 -0.285 0.000 0.994 40 V HN 1.269 nan 8.190 nan 0.000 0.431 41 A N 6.660 129.545 122.820 0.109 0.000 2.347 41 A HA 0.690 5.010 4.320 -0.000 0.000 0.287 41 A C -0.302 177.388 177.584 0.178 0.000 1.199 41 A CA -0.228 51.886 52.037 0.128 0.000 0.851 41 A CB -0.098 18.969 19.000 0.111 0.000 1.118 41 A HN 0.842 nan 8.150 nan 0.000 0.525 42 L N 3.491 124.803 121.223 0.149 0.000 2.261 42 L HA 0.324 4.664 4.340 -0.000 0.000 0.289 42 L C -0.520 176.427 176.870 0.129 0.000 1.059 42 L CA -0.300 54.614 54.840 0.124 0.000 0.816 42 L CB 0.333 42.397 42.059 0.008 0.000 1.191 42 L HN 0.755 nan 8.230 nan 0.000 0.431 43 Y N 3.758 124.106 120.300 0.080 0.000 2.341 43 Y HA 0.533 5.082 4.550 -0.000 0.000 0.338 43 Y C -0.864 175.074 175.900 0.064 0.000 0.965 43 Y CA -0.560 57.577 58.100 0.062 0.000 1.108 43 Y CB 1.375 39.879 38.460 0.074 0.000 1.180 43 Y HN 0.506 nan 8.280 nan 0.000 0.458 44 D N 5.271 125.209 120.400 -0.770 0.000 2.859 44 D HA 0.173 4.813 4.640 -0.000 0.000 0.223 44 D C 0.383 176.299 176.300 -0.640 0.000 1.218 44 D CA -0.415 53.256 54.000 -0.549 0.000 0.850 44 D CB 2.225 42.879 40.800 -0.244 0.000 1.656 44 D HN 0.820 nan 8.370 nan 0.000 0.484 45 L N 0.956 121.955 121.223 -0.373 0.000 2.189 45 L HA -0.147 4.193 4.340 -0.000 0.000 0.214 45 L C 0.855 177.671 176.870 -0.090 0.000 1.097 45 L CA 1.208 55.945 54.840 -0.171 0.000 0.764 45 L CB -0.018 42.021 42.059 -0.034 0.000 0.900 45 L HN 0.342 nan 8.230 nan 0.000 0.436 46 D N -0.783 119.564 120.400 -0.089 0.000 2.485 46 D HA -0.014 4.626 4.640 -0.000 0.000 0.221 46 D C 0.723 177.009 176.300 -0.024 0.000 1.112 46 D CA -0.445 53.540 54.000 -0.025 0.000 0.911 46 D CB 0.600 41.386 40.800 -0.023 0.000 1.019 46 D HN 0.039 nan 8.370 nan 0.000 0.516 47 F N 3.110 123.003 119.950 -0.095 0.000 2.216 47 F HA -0.098 4.429 4.527 -0.000 0.000 0.300 47 F C 1.965 177.733 175.800 -0.054 0.000 1.085 47 F CA 1.510 59.460 58.000 -0.083 0.000 1.326 47 F CB 0.221 39.188 39.000 -0.055 0.000 1.027 47 F HN 0.479 nan 8.300 nan 0.000 0.497 48 E N 0.176 120.461 120.200 0.141 0.000 2.085 48 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 48 E C 2.244 178.813 176.600 -0.052 0.000 0.994 48 E CA 1.196 57.640 56.400 0.072 0.000 0.801 48 E CB -0.309 29.432 29.700 0.069 0.000 0.743 48 E HN 0.456 nan 8.360 nan 0.000 0.453 49 A N 1.098 123.872 122.820 -0.077 0.000 1.930 49 A HA 0.002 4.322 4.320 -0.000 0.000 0.217 49 A C 2.392 179.872 177.584 -0.174 0.000 1.175 49 A CA 1.538 53.514 52.037 -0.102 0.000 0.627 49 A CB -0.655 18.300 19.000 -0.075 0.000 0.815 49 A HN 0.413 nan 8.150 nan 0.000 0.443 50 A N -1.073 121.589 122.820 -0.263 0.000 1.940 50 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 50 A C 2.187 179.557 177.584 -0.357 0.000 1.176 50 A CA 1.802 53.636 52.037 -0.338 0.000 0.631 50 A CB -0.453 18.267 19.000 -0.467 0.000 0.814 50 A HN 0.533 nan 8.150 nan 0.000 0.446 51 Q N -0.014 119.540 119.800 -0.411 0.000 2.123 51 Q HA -0.115 4.225 4.340 -0.000 0.000 0.199 51 Q C 1.840 177.757 176.000 -0.139 0.000 0.966 51 Q CA 1.610 57.250 55.803 -0.272 0.000 0.845 51 Q CB -0.126 28.521 28.738 -0.152 0.000 0.907 51 Q HN 0.729 nan 8.270 nan 0.000 0.439 52 K N 0.258 120.585 120.400 -0.121 0.000 2.097 52 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 52 K C 1.853 178.377 176.600 -0.125 0.000 1.049 52 K CA 1.266 57.498 56.287 -0.092 0.000 0.933 52 K CB 0.009 32.465 32.500 -0.073 0.000 0.717 52 K HN 0.135 nan 8.250 nan 0.000 0.442 53 N N 1.070 119.671 118.700 -0.165 0.000 2.244 53 N HA -0.180 4.560 4.740 -0.000 0.000 0.183 53 N C 1.609 176.971 175.510 -0.247 0.000 1.016 53 N CA 0.948 53.868 53.050 -0.217 0.000 0.866 53 N CB 0.001 38.348 38.487 -0.233 0.000 0.980 53 N HN 0.332 nan 8.380 nan 0.000 0.430 54 E N 0.618 120.717 120.200 -0.168 0.000 2.077 54 E HA -0.109 4.240 4.350 -0.000 0.000 0.193 54 E C 1.620 178.142 176.600 -0.128 0.000 0.989 54 E CA 0.905 57.247 56.400 -0.097 0.000 0.800 54 E CB 0.185 29.854 29.700 -0.052 0.000 0.746 54 E HN 0.026 nan 8.360 nan 0.000 0.452 55 V N 1.284 121.121 119.914 -0.129 0.000 2.307 55 V HA -0.237 3.883 4.120 -0.000 0.000 0.245 55 V C 2.423 178.419 176.094 -0.163 0.000 1.045 55 V CA 1.545 63.759 62.300 -0.144 0.000 1.024 55 V CB -0.363 31.428 31.823 -0.053 0.000 0.651 55 V HN 0.312 nan 8.190 nan 0.000 0.449 56 I N 0.769 121.265 120.570 -0.123 0.000 2.252 56 I HA -0.136 4.034 4.170 -0.000 0.000 0.245 56 I C 2.593 178.587 176.117 -0.205 0.000 1.102 56 I CA 1.663 62.907 61.300 -0.094 0.000 1.385 56 I CB -0.903 37.027 38.000 -0.116 0.000 1.064 56 I HN 0.399 nan 8.210 nan 0.000 0.414 57 G N 0.887 109.418 108.800 -0.448 0.000 2.418 57 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.217 57 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.217 57 G C 1.374 176.093 174.900 -0.303 0.000 1.158 57 G CA 0.578 45.170 45.100 -0.846 0.000 0.771 57 G HN 0.296 nan 8.290 nan 0.000 0.545 58 N N 0.240 118.853 118.700 -0.145 0.000 2.573 58 N HA -0.022 4.718 4.740 -0.000 0.000 0.187 58 N C 1.190 176.637 175.510 -0.104 0.000 1.107 58 N CA 0.495 53.531 53.050 -0.025 0.000 0.918 58 N CB -0.222 38.224 38.487 -0.069 0.000 0.966 58 N HN 0.562 nan 8.380 nan 0.000 0.448 59 H N -1.434 117.635 119.070 -0.002 0.000 2.551 59 H HA 0.281 4.837 4.556 -0.000 0.000 0.271 59 H C 0.036 175.369 175.328 0.010 0.000 0.984 59 H CA -0.200 55.849 56.048 0.003 0.000 1.164 59 H CB 0.624 30.375 29.762 -0.019 0.000 1.437 59 H HN -0.072 nan 8.280 nan 0.000 0.550 60 S N 0.315 116.080 115.700 0.109 0.000 2.554 60 S HA 0.437 4.907 4.470 -0.000 0.000 0.278 60 S C 0.889 175.568 174.600 0.132 0.000 1.242 60 S CA -0.050 58.205 58.200 0.090 0.000 1.051 60 S CB 1.456 64.678 63.200 0.036 0.000 0.986 60 S HN 0.756 nan 8.310 nan 0.000 0.502 61 G N 3.773 112.638 108.800 0.108 0.000 2.574 61 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.286 61 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.286 61 G C 0.638 175.604 174.900 0.111 0.000 1.212 61 G CA 0.634 45.804 45.100 0.117 0.000 0.979 61 G HN 0.709 nan 8.290 nan 0.000 0.557 62 N N 1.222 119.993 118.700 0.118 0.000 2.148 62 N HA 0.251 4.991 4.740 -0.000 0.000 0.186 62 N C 1.778 177.339 175.510 0.085 0.000 1.031 62 N CA 1.327 54.428 53.050 0.085 0.000 0.848 62 N CB 0.155 38.682 38.487 0.066 0.000 1.005 62 N HN 1.833 nan 8.380 nan 0.000 0.427 63 G N 0.721 109.584 108.800 0.105 0.000 2.273 63 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.162 63 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.162 63 G C 0.766 175.688 174.900 0.037 0.000 1.006 63 G CA 0.049 45.197 45.100 0.080 0.000 0.704 63 G HN 0.210 nan 8.290 nan 0.000 0.487 64 R N -0.878 119.649 120.500 0.046 0.000 2.105 64 R HA -0.026 4.314 4.340 -0.000 0.000 0.239 64 R C 0.074 176.200 176.300 -0.291 0.000 1.135 64 R CA 1.284 57.331 56.100 -0.089 0.000 0.967 64 R CB -0.036 30.284 30.300 0.032 0.000 0.861 64 R HN 0.392 nan 8.270 nan 0.000 0.442 65 W N 0.203 121.507 121.300 0.008 0.000 2.683 65 W HA 0.363 5.023 4.660 -0.000 0.000 0.329 65 W C -0.661 175.794 176.519 -0.108 0.000 1.037 65 W CA -1.041 56.246 57.345 -0.097 0.000 1.232 65 W CB 1.322 30.682 29.460 -0.165 0.000 1.390 65 W HN -0.094 nan 8.180 nan 0.000 0.465 66 R N 2.908 123.437 120.500 0.049 0.000 2.265 66 R HA 0.481 4.821 4.340 -0.000 0.000 0.319 66 R C -1.401 174.877 176.300 -0.037 0.000 1.006 66 R CA -0.357 55.776 56.100 0.056 0.000 0.880 66 R CB 0.613 30.930 30.300 0.030 0.000 1.077 66 R HN 0.482 nan 8.270 nan 0.000 0.454 67 Y N 1.889 122.242 120.300 0.087 0.000 2.361 67 Y HA 0.343 4.893 4.550 -0.000 0.000 0.332 67 Y C 0.040 175.957 175.900 0.029 0.000 1.101 67 Y CA -0.435 57.699 58.100 0.057 0.000 1.137 67 Y CB 1.781 40.246 38.460 0.009 0.000 1.207 67 Y HN 0.563 nan 8.280 nan 0.000 0.463 68 E N 1.676 121.971 120.200 0.158 0.000 2.260 68 E HA 0.647 4.997 4.350 -0.000 0.000 0.266 68 E C -1.500 175.144 176.600 0.073 0.000 0.887 68 E CA -0.960 55.502 56.400 0.104 0.000 0.777 68 E CB 1.226 30.979 29.700 0.088 0.000 1.205 68 E HN 0.784 nan 8.360 nan 0.000 0.414 69 A N 3.643 126.468 122.820 0.009 0.000 2.404 69 A HA 0.442 4.762 4.320 -0.000 0.000 0.273 69 A C 0.103 177.732 177.584 0.075 0.000 1.144 69 A CA -0.299 51.665 52.037 -0.121 0.000 0.806 69 A CB 0.081 18.795 19.000 -0.476 0.000 1.080 69 A HN 0.441 nan 8.150 nan 0.000 0.509 70 V N 0.844 120.847 119.914 0.148 0.000 3.046 70 V HA 0.734 4.854 4.120 -0.000 0.000 0.316 70 V C 0.713 177.068 176.094 0.434 0.000 1.104 70 V CA 0.119 62.593 62.300 0.289 0.000 1.006 70 V CB 1.588 33.529 31.823 0.197 0.000 1.058 70 V HN 1.065 nan 8.190 nan 0.000 0.440 71 S N 0.485 116.414 115.700 0.383 0.000 2.486 71 S HA 0.188 4.658 4.470 -0.000 0.000 0.220 71 S C 0.857 175.707 174.600 0.417 0.000 1.011 71 S CA 0.536 58.959 58.200 0.372 0.000 0.921 71 S CB -0.371 62.922 63.200 0.154 0.000 0.785 71 S HN 1.488 nan 8.310 nan 0.000 0.517 72 T N -1.837 112.897 114.554 0.300 0.000 2.901 72 T HA 0.628 4.978 4.350 -0.000 0.000 0.293 72 T C 0.690 175.215 174.700 -0.291 0.000 1.084 72 T CA -0.904 61.258 62.100 0.104 0.000 1.008 72 T CB 1.153 70.022 68.868 0.002 0.000 1.170 72 T HN -0.007 nan 8.240 nan 0.000 0.509 73 L N 0.799 121.647 121.223 -0.625 0.000 1.994 73 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 73 L C 2.982 179.655 176.870 -0.328 0.000 1.071 73 L CA 1.779 56.236 54.840 -0.638 0.000 0.745 73 L CB -0.425 41.362 42.059 -0.455 0.000 0.892 73 L HN 0.894 nan 8.230 nan 0.000 0.431 74 K N 0.495 120.690 120.400 -0.341 0.000 2.089 74 K HA -0.302 4.018 4.320 -0.000 0.000 0.210 74 K C 2.183 178.523 176.600 -0.433 0.000 1.048 74 K CA 1.995 57.873 56.287 -0.681 0.000 0.926 74 K CB -0.058 31.922 32.500 -0.867 0.000 0.714 74 K HN 0.082 nan 8.250 nan 0.000 0.448 75 K N -0.259 119.992 120.400 -0.248 0.000 2.097 75 K HA -0.087 4.233 4.320 -0.000 0.000 0.205 75 K C 1.955 178.513 176.600 -0.070 0.000 1.050 75 K CA 1.149 57.359 56.287 -0.128 0.000 0.938 75 K CB -0.137 32.339 32.500 -0.041 0.000 0.718 75 K HN 0.302 nan 8.250 nan 0.000 0.442 76 A N 0.671 123.455 122.820 -0.061 0.000 1.902 76 A HA -0.109 4.210 4.320 -0.000 0.000 0.217 76 A C 1.978 179.560 177.584 -0.004 0.000 1.181 76 A CA 1.271 53.310 52.037 0.005 0.000 0.623 76 A CB -0.474 18.546 19.000 0.033 0.000 0.818 76 A HN 0.276 nan 8.150 nan 0.000 0.443 77 L N -0.586 120.611 121.223 -0.044 0.000 2.341 77 L HA 0.047 4.387 4.340 -0.000 0.000 0.214 77 L C 1.362 178.239 176.870 0.012 0.000 1.115 77 L CA 0.098 54.941 54.840 0.005 0.000 0.820 77 L CB -0.252 41.838 42.059 0.051 0.000 0.944 77 L HN 0.269 nan 8.230 nan 0.000 0.452 78 S N 0.499 116.173 115.700 -0.044 0.000 2.596 78 S HA 0.172 4.642 4.470 -0.000 0.000 0.298 78 S C 1.213 175.818 174.600 0.008 0.000 1.255 78 S CA 0.392 58.575 58.200 -0.029 0.000 1.083 78 S CB 0.136 63.288 63.200 -0.080 0.000 0.837 78 S HN 0.469 nan 8.310 nan 0.000 0.499 79 A N 2.511 125.347 122.820 0.027 0.000 2.979 79 A HA -0.138 4.182 4.320 -0.000 0.000 0.260 79 A C 0.701 178.311 177.584 0.044 0.000 1.282 79 A CA 0.906 52.962 52.037 0.032 0.000 0.971 79 A CB -2.423 16.590 19.000 0.023 0.000 1.124 79 A HN 1.871 nan 8.150 nan 0.000 0.826 80 A N -0.151 122.699 122.820 0.050 0.000 2.440 80 A HA 0.482 4.802 4.320 -0.000 0.000 0.251 80 A C 0.964 178.592 177.584 0.073 0.000 1.089 80 A CA 0.450 52.525 52.037 0.065 0.000 0.779 80 A CB 0.171 19.208 19.000 0.062 0.000 1.022 80 A HN 0.416 nan 8.150 nan 0.000 0.492 81 D N 0.638 121.095 120.400 0.095 0.000 2.277 81 D HA 0.094 4.734 4.640 -0.000 0.000 0.209 81 D C 0.209 176.592 176.300 0.139 0.000 0.970 81 D CA 1.029 55.096 54.000 0.113 0.000 0.874 81 D CB 0.288 41.161 40.800 0.123 0.000 0.982 81 D HN 0.367 nan 8.370 nan 0.000 0.504 82 I N 1.454 122.099 120.570 0.126 0.000 2.582 82 I HA 0.259 4.429 4.170 -0.000 0.000 0.292 82 I C -0.384 175.780 176.117 0.079 0.000 1.066 82 I CA -0.870 60.504 61.300 0.123 0.000 1.053 82 I CB 2.338 40.405 38.000 0.112 0.000 1.241 82 I HN -0.369 nan 8.210 nan 0.000 0.421 83 V N 6.529 126.477 119.914 0.057 0.000 2.448 83 V HA 0.526 4.646 4.120 -0.000 0.000 0.295 83 V C 0.031 176.096 176.094 -0.047 0.000 1.025 83 V CA -0.516 61.788 62.300 0.008 0.000 0.859 83 V CB 2.309 34.134 31.823 0.004 0.000 0.988 83 V HN 0.453 nan 8.190 nan 0.000 0.431 84 I N 5.679 126.162 120.570 -0.144 0.000 2.441 84 I HA 0.556 4.726 4.170 -0.000 0.000 0.295 84 I C -0.698 175.202 176.117 -0.362 0.000 0.994 84 I CA -0.484 60.648 61.300 -0.280 0.000 1.144 84 I CB 1.883 39.617 38.000 -0.444 0.000 1.314 84 I HN 0.444 nan 8.210 nan 0.000 0.445 85 I N 4.771 125.222 120.570 -0.200 0.000 2.447 85 I HA 0.325 4.494 4.170 -0.000 0.000 0.287 85 I C -0.261 175.876 176.117 0.032 0.000 1.023 85 I CA -0.291 60.959 61.300 -0.083 0.000 1.083 85 I CB 1.962 39.977 38.000 0.025 0.000 1.245 85 I HN 0.510 nan 8.210 nan 0.000 0.434 86 S N 8.177 123.939 115.700 0.102 0.000 2.488 86 S HA 0.497 4.967 4.470 -0.000 0.000 0.151 86 S C -0.700 174.060 174.600 0.266 0.000 1.401 86 S CA -0.647 57.682 58.200 0.216 0.000 1.221 86 S CB 0.084 63.462 63.200 0.296 0.000 1.407 86 S HN 0.589 nan 8.310 nan 0.000 0.406 87 I N 0.456 121.168 120.570 0.237 0.000 3.100 87 I HA 0.820 4.989 4.170 -0.000 0.000 0.312 87 I C -1.188 175.063 176.117 0.224 0.000 1.063 87 I CA -1.517 59.907 61.300 0.207 0.000 1.031 87 I CB 1.637 39.722 38.000 0.141 0.000 1.243 87 I HN 0.426 nan 8.210 nan 0.000 0.483 88 L N 3.865 125.197 121.223 0.182 0.000 2.294 88 L HA 0.623 4.963 4.340 -0.000 0.000 0.283 88 L C -2.535 174.428 176.870 0.155 0.000 1.015 88 L CA -1.775 53.168 54.840 0.173 0.000 0.831 88 L CB 0.887 43.033 42.059 0.146 0.000 1.217 88 L HN 0.379 nan 8.230 nan 0.000 0.420 89 P HA 0.400 nan 4.420 nan 0.000 0.259 89 P C 0.214 177.583 177.300 0.115 0.000 1.635 89 P CA 0.411 63.605 63.100 0.156 0.000 1.199 89 P CB -0.069 31.734 31.700 0.172 0.000 1.850 90 G N 1.489 110.348 108.800 0.097 0.000 2.396 90 G HA2 0.103 4.063 3.960 -0.000 0.000 0.254 90 G HA3 0.103 4.063 3.960 -0.000 0.000 0.254 90 G C -0.543 174.401 174.900 0.073 0.000 1.248 90 G CA -0.214 44.932 45.100 0.076 0.000 1.033 90 G HN 0.617 nan 8.290 nan 0.000 0.502 91 S N -1.422 114.315 115.700 0.062 0.000 2.759 91 S HA 0.753 5.223 4.470 -0.000 0.000 0.310 91 S C 1.404 176.041 174.600 0.062 0.000 1.123 91 S CA -0.153 58.081 58.200 0.057 0.000 0.959 91 S CB 1.671 64.897 63.200 0.045 0.000 1.172 91 S HN 1.023 nan 8.310 nan 0.000 0.539 92 L N 0.437 121.695 121.223 0.058 0.000 2.201 92 L HA -0.076 4.264 4.340 -0.000 0.000 0.212 92 L C 1.737 178.646 176.870 0.064 0.000 1.105 92 L CA 1.324 56.203 54.840 0.065 0.000 0.775 92 L CB -0.684 41.409 42.059 0.057 0.000 0.913 92 L HN 0.692 nan 8.230 nan 0.000 0.440 93 D N -0.230 120.202 120.400 0.052 0.000 2.097 93 D HA -0.107 4.533 4.640 -0.000 0.000 0.195 93 D C 0.802 177.132 176.300 0.050 0.000 0.989 93 D CA 0.803 54.833 54.000 0.049 0.000 0.827 93 D CB -0.119 40.703 40.800 0.036 0.000 0.966 93 D HN 0.224 nan 8.370 nan 0.000 0.456 97 V N 2.326 122.287 119.914 0.078 0.000 2.255 97 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 97 V C 1.729 177.852 176.094 0.048 0.000 1.051 97 V CA 2.448 64.784 62.300 0.060 0.000 1.018 97 V CB -0.607 31.238 31.823 0.036 0.000 0.641 97 V HN 0.330 nan 8.190 nan 0.000 0.445 98 D N 0.125 120.549 120.400 0.039 0.000 2.126 98 D HA -0.172 4.468 4.640 -0.000 0.000 0.190 98 D C 2.044 178.345 176.300 0.002 0.000 1.001 98 D CA 1.869 55.892 54.000 0.039 0.000 0.841 98 D CB -0.388 40.437 40.800 0.042 0.000 0.949 98 D HN 0.365 nan 8.370 nan 0.000 0.446 99 V N -0.050 119.819 119.914 -0.075 0.000 2.599 99 V HA -0.088 4.032 4.120 -0.000 0.000 0.245 99 V C 1.882 177.803 176.094 -0.290 0.000 1.046 99 V CA 1.239 63.404 62.300 -0.224 0.000 1.065 99 V CB -0.206 31.377 31.823 -0.399 0.000 0.703 99 V HN 0.284 nan 8.190 nan 0.000 0.464 100 H N -1.635 117.450 119.070 0.025 0.000 2.615 100 H HA 0.228 4.783 4.556 -0.000 0.000 0.275 100 H C 1.970 177.282 175.328 -0.027 0.000 0.981 100 H CA 0.372 56.416 56.048 -0.006 0.000 1.252 100 H CB 0.289 30.059 29.762 0.013 0.000 1.447 100 H HN 0.246 nan 8.280 nan 0.000 0.498 101 L N 2.333 123.620 121.223 0.106 0.000 2.043 101 L HA -0.090 4.250 4.340 -0.000 0.000 0.212 101 L C -0.862 176.030 176.870 0.036 0.000 1.075 101 L CA 1.780 56.658 54.840 0.063 0.000 0.752 101 L CB -1.049 41.044 42.059 0.057 0.000 0.891 101 L HN 0.096 nan 8.230 nan 0.000 0.432 102 P HA -0.157 nan 4.420 nan 0.000 0.223 102 P C 1.188 178.445 177.300 -0.072 0.000 1.144 102 P CA 1.114 64.227 63.100 0.021 0.000 0.783 102 P CB -0.056 31.661 31.700 0.029 0.000 0.771 103 E N -0.026 120.088 120.200 -0.143 0.000 2.160 103 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 103 E C 2.071 178.581 176.600 -0.150 0.000 0.991 103 E CA 0.718 56.934 56.400 -0.308 0.000 0.810 103 E CB -0.338 29.175 29.700 -0.313 0.000 0.742 103 E HN 0.366 nan 8.360 nan 0.000 0.466 104 R N 0.132 120.599 120.500 -0.055 0.000 2.293 104 R HA -0.072 4.268 4.340 -0.000 0.000 0.219 104 R C 1.182 177.484 176.300 0.002 0.000 1.091 104 R CA 1.285 57.378 56.100 -0.012 0.000 1.004 104 R CB -0.290 30.016 30.300 0.009 0.000 0.865 104 R HN 0.130 nan 8.270 nan 0.000 0.469 105 C N 0.339 119.637 119.300 -0.004 0.000 2.974 105 C HA 0.440 4.899 4.460 -0.000 0.000 0.282 105 C C 1.331 176.330 174.990 0.015 0.000 1.292 105 C CA 0.081 59.112 59.018 0.022 0.000 1.710 105 C CB -0.030 27.739 27.740 0.049 0.000 2.036 105 C HN 0.833 nan 8.230 nan 0.000 0.629 106 G N 1.438 110.226 108.800 -0.020 0.000 2.157 106 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.248 106 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.248 106 G C -0.057 174.857 174.900 0.023 0.000 0.979 106 G CA -0.143 44.978 45.100 0.035 0.000 0.650 106 G HN 0.554 nan 8.290 nan 0.000 0.529 107 I N 1.094 121.610 120.570 -0.090 0.000 2.312 107 I HA 0.441 4.611 4.170 -0.000 0.000 0.291 107 I C 0.171 176.164 176.117 -0.208 0.000 1.031 107 I CA -0.903 60.362 61.300 -0.058 0.000 1.293 107 I CB 0.485 38.461 38.000 -0.040 0.000 1.403 107 I HN 0.044 nan 8.210 nan 0.000 0.484 108 Y N 4.972 125.299 120.300 0.044 0.000 2.387 108 Y HA 0.490 5.039 4.550 -0.000 0.000 0.330 108 Y C 0.091 176.015 175.900 0.041 0.000 1.133 108 Y CA -0.487 57.644 58.100 0.053 0.000 1.152 108 Y CB 1.436 39.931 38.460 0.059 0.000 1.215 108 Y HN 0.460 nan 8.280 nan 0.000 0.466 109 Q N 0.302 120.204 119.800 0.169 0.000 2.347 109 Q HA 0.272 4.612 4.340 -0.000 0.000 0.271 109 Q C 0.096 176.161 176.000 0.108 0.000 1.064 109 Q CA -0.513 55.348 55.803 0.098 0.000 0.800 109 Q CB 2.191 30.940 28.738 0.018 0.000 1.304 109 Q HN 0.846 nan 8.270 nan 0.000 0.438 110 S N 0.031 115.801 115.700 0.116 0.000 2.425 110 S HA -0.019 4.451 4.470 -0.000 0.000 0.225 110 S C 1.234 175.855 174.600 0.036 0.000 1.024 110 S CA 0.801 59.068 58.200 0.112 0.000 0.951 110 S CB 0.224 63.553 63.200 0.215 0.000 0.796 110 S HN 0.404 nan 8.310 nan 0.000 0.498 111 V N -0.114 119.816 119.914 0.027 0.000 3.161 111 V HA 0.550 4.670 4.120 -0.000 0.000 0.221 111 V C 1.758 177.880 176.094 0.046 0.000 1.296 111 V CA 0.226 62.546 62.300 0.034 0.000 1.306 111 V CB -0.901 30.951 31.823 0.048 0.000 1.171 111 V HN 0.623 nan 8.190 nan 0.000 0.513 112 G N 2.248 111.075 108.800 0.045 0.000 2.136 112 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.242 112 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.242 112 G C 0.255 175.196 174.900 0.068 0.000 0.989 112 G CA 0.667 45.787 45.100 0.034 0.000 0.682 112 G HN 0.706 nan 8.290 nan 0.000 0.522 113 D N -1.523 118.946 120.400 0.115 0.000 2.469 113 D HA 0.246 4.886 4.640 -0.000 0.000 0.213 113 D C 1.332 177.713 176.300 0.134 0.000 1.135 113 D CA 1.194 55.278 54.000 0.140 0.000 0.834 113 D CB -0.008 40.910 40.800 0.195 0.000 1.009 113 D HN 0.266 nan 8.370 nan 0.000 0.507 114 T N -0.814 113.808 114.554 0.113 0.000 3.400 114 T HA 0.275 4.625 4.350 -0.000 0.000 0.228 114 T C 0.978 175.649 174.700 -0.049 0.000 0.992 114 T CA 1.120 63.272 62.100 0.087 0.000 1.222 114 T CB 0.292 69.317 68.868 0.263 0.000 1.236 114 T HN 0.099 nan 8.240 nan 0.000 0.357 115 V N -1.037 118.758 119.914 -0.198 0.000 4.114 115 V HA 0.945 5.065 4.120 -0.000 0.000 0.293 115 V C 0.988 176.977 176.094 -0.174 0.000 1.371 115 V CA -0.376 61.766 62.300 -0.265 0.000 0.929 115 V CB 0.149 31.603 31.823 -0.614 0.000 1.281 115 V HN 0.875 nan 8.190 nan 0.000 0.468 116 G N 0.133 108.822 108.800 -0.184 0.000 2.682 116 G HA2 -0.155 3.804 3.960 -0.000 0.000 0.256 116 G HA3 -0.155 3.804 3.960 -0.000 0.000 0.256 116 G C -1.508 173.321 174.900 -0.118 0.000 1.333 116 G CA 0.376 45.384 45.100 -0.154 0.000 0.904 116 G HN 0.792 nan 8.290 nan 0.000 0.569 117 P HA -0.069 nan 4.420 nan 0.000 0.215 117 P C 2.115 179.527 177.300 0.187 0.000 1.157 117 P CA 2.522 65.640 63.100 0.030 0.000 0.863 117 P CB -0.531 31.207 31.700 0.064 0.000 0.787 118 G N 0.011 108.866 108.800 0.091 0.000 2.446 118 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 118 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 118 G C 1.874 176.826 174.900 0.087 0.000 1.168 118 G CA 1.142 46.291 45.100 0.083 0.000 0.771 118 G HN 0.387 nan 8.290 nan 0.000 0.551 119 G N 0.840 109.673 108.800 0.054 0.000 2.402 119 G HA2 -0.123 3.836 3.960 -0.000 0.000 0.216 119 G HA3 -0.123 3.836 3.960 -0.000 0.000 0.216 119 G C 1.669 176.620 174.900 0.084 0.000 1.162 119 G CA 0.822 45.951 45.100 0.048 0.000 0.777 119 G HN 0.308 nan 8.290 nan 0.000 0.539 120 I N 1.341 121.986 120.570 0.124 0.000 2.179 120 I HA -0.102 4.068 4.170 -0.000 0.000 0.242 120 I C 2.724 178.973 176.117 0.220 0.000 1.088 120 I CA 0.875 62.296 61.300 0.201 0.000 1.357 120 I CB -0.786 37.421 38.000 0.345 0.000 1.051 120 I HN 0.107 nan 8.210 nan 0.000 0.409 121 I N 0.243 120.949 120.570 0.226 0.000 2.286 121 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 121 I C 2.669 178.848 176.117 0.102 0.000 1.104 121 I CA 0.978 62.369 61.300 0.151 0.000 1.397 121 I CB -1.065 37.005 38.000 0.117 0.000 1.072 121 I HN 0.288 nan 8.210 nan 0.000 0.417 122 R N 1.145 121.705 120.500 0.100 0.000 2.091 122 R HA -0.164 4.176 4.340 -0.000 0.000 0.238 122 R C 2.360 178.713 176.300 0.088 0.000 1.136 122 R CA 1.823 57.976 56.100 0.089 0.000 0.959 122 R CB -0.511 29.843 30.300 0.090 0.000 0.856 122 R HN 0.386 nan 8.270 nan 0.000 0.437 123 G N 1.320 110.170 108.800 0.083 0.000 2.440 123 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 123 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 123 G C 1.314 176.263 174.900 0.082 0.000 1.154 123 G CA 0.347 45.487 45.100 0.067 0.000 0.767 123 G HN 0.156 nan 8.290 nan 0.000 0.552 124 L N 0.520 121.803 121.223 0.099 0.000 2.012 124 L HA 0.005 4.345 4.340 -0.000 0.000 0.210 124 L C 2.764 179.685 176.870 0.085 0.000 1.073 124 L CA 1.616 56.513 54.840 0.096 0.000 0.748 124 L CB -1.178 40.940 42.059 0.098 0.000 0.891 124 L HN 0.259 nan 8.230 nan 0.000 0.431 125 R N -0.676 119.872 120.500 0.080 0.000 2.127 125 R HA -0.143 4.197 4.340 -0.000 0.000 0.238 125 R C 2.107 178.477 176.300 0.116 0.000 1.134 125 R CA 1.383 57.532 56.100 0.081 0.000 0.975 125 R CB -0.040 30.304 30.300 0.073 0.000 0.865 125 R HN 0.367 nan 8.270 nan 0.000 0.447 126 A N -0.259 122.643 122.820 0.137 0.000 2.016 126 A HA -0.001 4.319 4.320 -0.000 0.000 0.217 126 A C 2.119 179.860 177.584 0.263 0.000 1.162 126 A CA 0.721 52.890 52.037 0.221 0.000 0.662 126 A CB -0.147 18.960 19.000 0.179 0.000 0.812 126 A HN 0.176 nan 8.150 nan 0.000 0.450 127 V N 1.438 121.450 119.914 0.163 0.000 2.231 127 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 127 V C -0.047 176.150 176.094 0.172 0.000 1.054 127 V CA 2.713 65.105 62.300 0.154 0.000 1.015 127 V CB -1.492 30.392 31.823 0.102 0.000 0.638 127 V HN 0.465 nan 8.190 nan 0.000 0.444 128 P HA -0.105 nan 4.420 nan 0.000 0.221 128 P C 1.798 179.154 177.300 0.094 0.000 1.150 128 P CA 1.489 64.647 63.100 0.097 0.000 0.800 128 P CB -0.039 31.704 31.700 0.072 0.000 0.787 129 I N -1.625 119.018 120.570 0.120 0.000 2.179 129 I HA -0.228 3.942 4.170 -0.000 0.000 0.242 129 I C 2.366 178.460 176.117 -0.039 0.000 1.088 129 I CA 1.570 62.900 61.300 0.050 0.000 1.357 129 I CB -0.691 37.352 38.000 0.072 0.000 1.051 129 I HN -0.189 nan 8.210 nan 0.000 0.409 130 F N 0.643 120.618 119.950 0.042 0.000 2.206 130 F HA -0.083 4.444 4.527 -0.000 0.000 0.298 130 F C 2.590 178.406 175.800 0.027 0.000 1.090 130 F CA 1.038 59.058 58.000 0.033 0.000 1.323 130 F CB -0.550 38.469 39.000 0.032 0.000 1.028 130 F HN -0.028 nan 8.300 nan 0.000 0.492 131 A N -0.013 122.909 122.820 0.170 0.000 1.892 131 A HA -0.310 4.010 4.320 -0.000 0.000 0.218 131 A C 2.138 179.744 177.584 0.037 0.000 1.188 131 A CA 2.222 54.316 52.037 0.095 0.000 0.631 131 A CB -0.951 18.095 19.000 0.077 0.000 0.822 131 A HN 0.461 nan 8.150 nan 0.000 0.447 132 E N -0.485 119.723 120.200 0.013 0.000 2.106 132 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 132 E C 1.877 178.445 176.600 -0.053 0.000 0.984 132 E CA 1.098 57.486 56.400 -0.021 0.000 0.806 132 E CB -0.201 29.491 29.700 -0.014 0.000 0.750 132 E HN 0.683 nan 8.360 nan 0.000 0.458 133 I N 0.869 121.388 120.570 -0.084 0.000 2.252 133 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 133 I C 2.568 178.653 176.117 -0.052 0.000 1.102 133 I CA 0.913 62.148 61.300 -0.109 0.000 1.385 133 I CB -0.314 37.544 38.000 -0.236 0.000 1.064 133 I HN 0.174 nan 8.210 nan 0.000 0.414 134 A N 0.837 123.657 122.820 0.001 0.000 1.908 134 A HA -0.236 4.083 4.320 -0.000 0.000 0.218 134 A C 2.400 179.955 177.584 -0.047 0.000 1.181 134 A CA 1.671 53.738 52.037 0.050 0.000 0.627 134 A CB -0.602 18.461 19.000 0.105 0.000 0.818 134 A HN 0.324 nan 8.150 nan 0.000 0.445 135 R N -0.887 119.559 120.500 -0.091 0.000 2.092 135 R HA -0.019 4.321 4.340 -0.000 0.000 0.231 135 R C 2.454 178.593 176.300 -0.268 0.000 1.119 135 R CA 1.049 57.036 56.100 -0.189 0.000 0.970 135 R CB -0.357 29.862 30.300 -0.134 0.000 0.864 135 R HN 0.532 nan 8.270 nan 0.000 0.440 136 A N 0.995 123.708 122.820 -0.179 0.000 1.897 136 A HA -0.090 4.229 4.320 -0.000 0.000 0.215 136 A C 2.075 179.555 177.584 -0.174 0.000 1.181 136 A CA 1.001 52.941 52.037 -0.161 0.000 0.620 136 A CB -0.321 18.679 19.000 0.001 0.000 0.821 136 A HN 0.158 nan 8.150 nan 0.000 0.443 137 I N -1.097 119.402 120.570 -0.120 0.000 2.315 137 I HA -0.208 3.962 4.170 -0.000 0.000 0.248 137 I C 2.698 178.681 176.117 -0.223 0.000 1.117 137 I CA 1.368 62.626 61.300 -0.069 0.000 1.404 137 I CB -0.291 37.727 38.000 0.031 0.000 1.071 137 I HN 0.372 nan 8.210 nan 0.000 0.419 138 R N 1.066 121.252 120.500 -0.523 0.000 2.073 138 R HA -0.199 4.141 4.340 -0.000 0.000 0.234 138 R C 1.765 177.690 176.300 -0.626 0.000 1.134 138 R CA 2.067 57.545 56.100 -1.037 0.000 0.952 138 R CB -0.121 29.398 30.300 -1.303 0.000 0.850 138 R HN 0.314 nan 8.270 nan 0.000 0.433 139 D N -0.928 119.108 120.400 -0.608 0.000 2.149 139 D HA -0.136 4.504 4.640 -0.000 0.000 0.201 139 D C 1.237 177.188 176.300 -0.581 0.000 0.972 139 D CA 1.308 54.889 54.000 -0.699 0.000 0.835 139 D CB -0.015 40.142 40.800 -1.072 0.000 0.966 139 D HN 0.367 nan 8.370 nan 0.000 0.476 140 Y N -0.469 119.752 120.300 -0.131 0.000 2.483 140 Y HA 0.515 5.065 4.550 -0.000 0.000 0.258 140 Y C 0.908 176.769 175.900 -0.064 0.000 1.083 140 Y CA -0.439 57.608 58.100 -0.088 0.000 1.283 140 Y CB 0.648 39.059 38.460 -0.082 0.000 1.178 140 Y HN -0.122 nan 8.280 nan 0.000 0.515 141 A N 0.521 123.375 122.820 0.056 0.000 3.448 141 A HA 0.367 4.687 4.320 -0.000 0.000 0.232 141 A C -2.145 175.455 177.584 0.026 0.000 1.018 141 A CA -0.662 51.401 52.037 0.044 0.000 0.996 141 A CB 0.044 19.079 19.000 0.057 0.000 1.283 141 A HN -0.034 nan 8.150 nan 0.000 0.586 142 P HA -0.081 nan 4.420 nan 0.000 0.226 142 P C 0.519 177.864 177.300 0.074 0.000 1.153 142 P CA 1.098 64.257 63.100 0.099 0.000 0.777 142 P CB 0.450 32.166 31.700 0.027 0.000 0.794 143 E N 0.057 120.254 120.200 -0.006 0.000 2.481 143 E HA 0.069 4.418 4.350 -0.000 0.000 0.198 143 E C 0.751 177.279 176.600 -0.121 0.000 1.027 143 E CA 0.105 56.459 56.400 -0.075 0.000 0.900 143 E CB 0.253 29.935 29.700 -0.029 0.000 0.993 143 E HN 0.312 nan 8.360 nan 0.000 0.482 144 S N -0.266 115.388 115.700 -0.078 0.000 2.593 144 S HA 0.197 4.667 4.470 -0.000 0.000 0.269 144 S C -0.148 174.339 174.600 -0.188 0.000 1.334 144 S CA -0.648 57.525 58.200 -0.045 0.000 1.015 144 S CB 0.680 63.892 63.200 0.020 0.000 0.912 144 S HN 0.114 nan 8.310 nan 0.000 0.541 145 W N 1.083 122.378 121.300 -0.008 0.000 2.351 145 W HA 0.526 5.186 4.660 0.000 0.000 0.311 145 W C -0.734 175.761 176.519 -0.041 0.000 1.168 145 W CA -0.644 56.682 57.345 -0.031 0.000 1.200 145 W CB 1.151 30.595 29.460 -0.028 0.000 1.221 145 W HN 0.471 nan 8.180 nan 0.000 0.519 146 V N 6.143 126.154 119.914 0.162 0.000 2.435 146 V HA 0.422 4.542 4.120 -0.000 0.000 0.290 146 V C -0.057 176.071 176.094 0.058 0.000 1.030 146 V CA -0.965 61.371 62.300 0.061 0.000 0.881 146 V CB 1.208 33.019 31.823 -0.019 0.000 0.983 146 V HN 0.301 nan 8.190 nan 0.000 0.445 147 I N 4.163 124.710 120.570 -0.038 0.000 2.382 147 I HA 0.381 4.551 4.170 -0.000 0.000 0.286 147 I C -0.364 175.571 176.117 -0.303 0.000 1.002 147 I CA -0.444 60.745 61.300 -0.185 0.000 1.135 147 I CB 1.673 39.532 38.000 -0.235 0.000 1.288 147 I HN 0.568 nan 8.210 nan 0.000 0.448 148 N N 4.800 123.312 118.700 -0.313 0.000 2.426 148 N HA 0.260 5.000 4.740 -0.000 0.000 0.275 148 N C -0.349 174.842 175.510 -0.532 0.000 1.019 148 N CA -0.034 52.858 53.050 -0.263 0.000 0.941 148 N CB 0.834 39.268 38.487 -0.088 0.000 1.123 148 N HN 0.342 nan 8.380 nan 0.000 0.486 149 Y N 0.500 120.611 120.300 -0.315 0.000 2.442 149 Y HA 0.252 4.801 4.550 -0.000 0.000 0.250 149 Y C 0.637 176.338 175.900 -0.331 0.000 1.113 149 Y CA -0.081 57.668 58.100 -0.585 0.000 1.273 149 Y CB 0.226 37.978 38.460 -1.179 0.000 1.138 149 Y HN 0.357 nan 8.280 nan 0.000 0.522 150 T N 2.332 116.892 114.554 0.010 0.000 2.919 150 T HA 0.089 4.439 4.350 -0.000 0.000 0.302 150 T C 0.054 174.757 174.700 0.004 0.000 1.031 150 T CA -0.267 61.896 62.100 0.105 0.000 1.127 150 T CB 0.320 69.373 68.868 0.307 0.000 0.952 150 T HN 0.091 nan 8.240 nan 0.000 0.540 151 N N 3.209 121.952 118.700 0.071 0.000 2.466 151 N HA 0.449 5.189 4.740 -0.000 0.000 0.294 151 N C -2.406 173.126 175.510 0.038 0.000 1.129 151 N CA -1.829 51.242 53.050 0.034 0.000 0.931 151 N CB 1.227 39.789 38.487 0.125 0.000 1.193 151 N HN 0.315 nan 8.380 nan 0.000 0.500 155 V N 1.954 121.816 119.914 -0.088 0.000 2.323 155 V HA -0.173 3.947 4.120 -0.000 0.000 0.244 155 V C 2.362 178.357 176.094 -0.165 0.000 1.041 155 V CA 2.196 64.446 62.300 -0.084 0.000 1.025 155 V CB -0.712 31.080 31.823 -0.052 0.000 0.656 155 V HN 0.706 nan 8.190 nan 0.000 0.451 156 C N -0.122 118.977 119.300 -0.335 0.000 2.432 156 C HA -0.161 4.299 4.460 -0.000 0.000 0.277 156 C C 2.988 177.702 174.990 -0.460 0.000 1.249 156 C CA 1.757 60.334 59.018 -0.735 0.000 1.725 156 C CB -1.293 25.672 27.740 -1.292 0.000 2.028 156 C HN 0.621 nan 8.230 nan 0.000 0.477 157 T N 0.454 114.854 114.554 -0.257 0.000 2.777 157 T HA -0.171 4.178 4.350 -0.000 0.000 0.266 157 T C 1.957 176.705 174.700 0.080 0.000 1.040 157 T CA 1.593 63.661 62.100 -0.053 0.000 1.141 157 T CB -0.308 68.539 68.868 -0.035 0.000 0.868 157 T HN 0.447 nan 8.240 nan 0.000 0.444 158 R N 1.187 121.701 120.500 0.022 0.000 2.096 158 R HA -0.031 4.309 4.340 -0.000 0.000 0.235 158 R C 2.152 178.512 176.300 0.099 0.000 1.127 158 R CA 1.162 57.301 56.100 0.066 0.000 0.968 158 R CB -1.091 29.214 30.300 0.009 0.000 0.861 158 R HN 0.247 nan 8.270 nan 0.000 0.440 159 V N 0.883 120.830 119.914 0.055 0.000 2.343 159 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 159 V C 2.326 178.493 176.094 0.123 0.000 1.051 159 V CA 1.899 64.252 62.300 0.088 0.000 1.036 159 V CB -0.482 31.396 31.823 0.092 0.000 0.654 159 V HN 0.327 nan 8.190 nan 0.000 0.451 160 L N -1.383 119.915 121.223 0.126 0.000 2.021 160 L HA -0.272 4.068 4.340 -0.000 0.000 0.215 160 L C 2.490 179.344 176.870 -0.027 0.000 1.074 160 L CA 2.143 57.025 54.840 0.069 0.000 0.760 160 L CB -0.712 41.356 42.059 0.014 0.000 0.889 160 L HN 0.329 nan 8.230 nan 0.000 0.433 161 Y N -0.219 120.076 120.300 -0.010 0.000 2.337 161 Y HA -0.131 4.419 4.550 -0.000 0.000 0.293 161 Y C 2.561 178.456 175.900 -0.008 0.000 1.123 161 Y CA 0.951 59.023 58.100 -0.047 0.000 1.201 161 Y CB -0.130 38.291 38.460 -0.066 0.000 1.011 161 Y HN 0.057 nan 8.280 nan 0.000 0.545 162 K N -0.573 119.921 120.400 0.157 0.000 2.057 162 K HA -0.110 4.210 4.320 -0.000 0.000 0.206 162 K C 1.879 178.537 176.600 0.097 0.000 1.050 162 K CA 1.565 57.916 56.287 0.106 0.000 0.935 162 K CB -0.280 32.270 32.500 0.083 0.000 0.715 162 K HN 0.108 nan 8.250 nan 0.000 0.439 163 V N 0.256 120.232 119.914 0.104 0.000 2.535 163 V HA -0.069 4.051 4.120 -0.000 0.000 0.246 163 V C 0.518 176.707 176.094 0.159 0.000 1.045 163 V CA 0.839 63.200 62.300 0.102 0.000 1.058 163 V CB -0.105 31.772 31.823 0.090 0.000 0.689 163 V HN 0.196 nan 8.190 nan 0.000 0.461 164 F N 1.678 121.595 119.950 -0.055 0.000 2.686 164 F HA 0.539 5.066 4.527 -0.000 0.000 0.365 164 F C -2.362 173.374 175.800 -0.107 0.000 1.196 164 F CA -3.632 54.310 58.000 -0.096 0.000 1.198 164 F CB 1.362 40.278 39.000 -0.139 0.000 1.454 164 F HN 0.029 nan 8.300 nan 0.000 0.539 165 P HA -0.096 nan 4.420 nan 0.000 0.216 165 P C 1.493 178.662 177.300 -0.218 0.000 1.150 165 P CA 1.804 64.890 63.100 -0.023 0.000 0.843 165 P CB 0.235 31.965 31.700 0.051 0.000 0.787 166 G N -1.498 107.039 108.800 -0.438 0.000 3.181 166 G HA2 0.053 4.013 3.960 -0.000 0.000 0.219 166 G HA3 0.053 4.013 3.960 -0.000 0.000 0.219 166 G C 0.439 174.688 174.900 -1.085 0.000 1.182 166 G CA -0.305 44.475 45.100 -0.534 0.000 0.791 166 G HN 0.266 nan 8.290 nan 0.000 0.537 167 I N 0.265 119.827 120.570 -1.680 0.000 2.754 167 I HA 0.174 4.344 4.170 -0.000 0.000 0.285 167 I C -0.190 175.371 176.117 -0.927 0.000 1.166 167 I CA -0.151 60.245 61.300 -1.508 0.000 1.417 167 I CB 0.723 37.986 38.000 -1.228 0.000 1.382 167 I HN -0.065 nan 8.210 nan 0.000 0.588 168 K N 6.998 126.925 120.400 -0.789 0.000 2.357 168 K HA 0.569 4.888 4.320 -0.000 0.000 0.251 168 K C -0.992 175.293 176.600 -0.525 0.000 1.069 168 K CA -0.263 55.474 56.287 -0.918 0.000 0.994 168 K CB 1.253 32.703 32.500 -1.751 0.000 1.411 168 K HN 0.578 nan 8.250 nan 0.000 0.450 169 A N 3.305 126.036 122.820 -0.148 0.000 2.414 169 A HA 0.793 5.113 4.320 -0.000 0.000 0.306 169 A C -0.695 177.052 177.584 0.270 0.000 1.054 169 A CA -0.892 51.170 52.037 0.043 0.000 0.724 169 A CB 0.821 19.716 19.000 -0.174 0.000 1.267 169 A HN 0.734 nan 8.150 nan 0.000 0.418 170 I N -0.770 119.905 120.570 0.175 0.000 2.934 170 I HA 0.927 5.096 4.170 -0.000 0.000 0.306 170 I C 0.112 176.192 176.117 -0.061 0.000 1.110 170 I CA -1.126 60.222 61.300 0.081 0.000 1.019 170 I CB 2.398 40.422 38.000 0.040 0.000 1.227 170 I HN 0.671 nan 8.210 nan 0.000 0.434 171 G N 2.400 111.134 108.800 -0.109 0.000 2.356 171 G HA2 0.589 4.549 3.960 -0.000 0.000 0.322 171 G HA3 0.589 4.549 3.960 -0.000 0.000 0.322 171 G C -1.242 173.492 174.900 -0.277 0.000 1.125 171 G CA -0.422 44.546 45.100 -0.220 0.000 0.885 171 G HN 0.754 nan 8.290 nan 0.000 0.467 172 C N 0.986 120.018 119.300 -0.447 0.000 2.455 172 C HA 0.755 5.215 4.460 -0.000 0.000 0.320 172 C C 0.092 174.908 174.990 -0.289 0.000 1.226 172 C CA -0.721 58.068 59.018 -0.382 0.000 1.569 172 C CB 0.464 27.903 27.740 -0.501 0.000 2.200 172 C HN 0.885 nan 8.230 nan 0.000 0.491 173 C N 3.925 123.121 119.300 -0.174 0.000 2.797 173 C HA 0.584 5.043 4.460 -0.000 0.000 0.306 173 C C 1.099 175.981 174.990 -0.179 0.000 1.207 173 C CA -0.475 58.457 59.018 -0.143 0.000 1.507 173 C CB 0.783 28.401 27.740 -0.204 0.000 2.028 173 C HN 1.091 nan 8.230 nan 0.000 0.475 174 H N 1.405 120.478 119.070 0.006 0.000 2.551 174 H HA 0.200 4.756 4.556 -0.000 0.000 0.271 174 H C 0.865 176.005 175.328 -0.314 0.000 0.984 174 H CA 0.142 56.041 56.048 -0.249 0.000 1.164 174 H CB 0.240 30.147 29.762 0.241 0.000 1.437 174 H HN 0.652 nan 8.280 nan 0.000 0.550 175 E N 1.642 121.834 120.200 -0.014 0.000 2.110 175 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 175 E C 2.362 178.937 176.600 -0.042 0.000 0.988 175 E CA 0.775 57.205 56.400 0.049 0.000 0.804 175 E CB 0.033 29.727 29.700 -0.010 0.000 0.745 175 E HN 0.355 nan 8.360 nan 0.000 0.458 176 V N 1.196 120.999 119.914 -0.185 0.000 2.490 176 V HA -0.221 3.899 4.120 -0.000 0.000 0.250 176 V C 2.024 178.155 176.094 0.061 0.000 1.061 176 V CA 1.263 63.499 62.300 -0.107 0.000 1.064 176 V CB -0.657 31.090 31.823 -0.126 0.000 0.670 176 V HN 0.097 nan 8.190 nan 0.000 0.461 177 F N 1.638 121.634 119.950 0.076 0.000 2.161 177 F HA -0.063 4.464 4.527 -0.000 0.000 0.300 177 F C 2.446 178.270 175.800 0.040 0.000 1.089 177 F CA 1.086 59.121 58.000 0.059 0.000 1.282 177 F CB -1.736 37.310 39.000 0.076 0.000 1.010 177 F HN 0.227 nan 8.300 nan 0.000 0.485 178 G N -1.052 107.878 108.800 0.218 0.000 2.432 178 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.219 178 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.219 178 G C 1.702 176.671 174.900 0.116 0.000 1.135 178 G CA 1.421 46.612 45.100 0.151 0.000 0.767 178 G HN 0.350 nan 8.290 nan 0.000 0.550 179 T N 0.606 115.208 114.554 0.080 0.000 2.896 179 T HA -0.048 4.302 4.350 -0.000 0.000 0.263 179 T C 2.424 177.138 174.700 0.023 0.000 1.050 179 T CA 1.132 63.248 62.100 0.027 0.000 1.140 179 T CB -0.131 68.714 68.868 -0.037 0.000 0.877 179 T HN 0.338 nan 8.240 nan 0.000 0.457 180 Q N 0.819 120.654 119.800 0.057 0.000 2.135 180 Q HA -0.095 4.245 4.340 -0.000 0.000 0.204 180 Q C 2.303 178.316 176.000 0.022 0.000 0.981 180 Q CA 1.237 57.068 55.803 0.046 0.000 0.856 180 Q CB -0.120 28.673 28.738 0.093 0.000 0.902 180 Q HN 0.459 nan 8.270 nan 0.000 0.425 181 K N 0.248 120.676 120.400 0.046 0.000 2.057 181 K HA -0.142 4.178 4.320 -0.000 0.000 0.206 181 K C 2.044 178.651 176.600 0.011 0.000 1.050 181 K CA 0.809 57.112 56.287 0.027 0.000 0.935 181 K CB -0.160 32.372 32.500 0.055 0.000 0.715 181 K HN 0.078 nan 8.250 nan 0.000 0.439 182 L N 1.520 122.752 121.223 0.014 0.000 2.042 182 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 182 L C 1.798 178.626 176.870 -0.069 0.000 1.076 182 L CA 1.643 56.469 54.840 -0.024 0.000 0.749 182 L CB -0.324 41.673 42.059 -0.103 0.000 0.893 182 L HN 0.123 nan 8.230 nan 0.000 0.432 183 L N -0.751 120.437 121.223 -0.059 0.000 2.093 183 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 183 L C 2.702 179.475 176.870 -0.162 0.000 1.085 183 L CA 0.936 55.712 54.840 -0.106 0.000 0.755 183 L CB -1.020 41.006 42.059 -0.056 0.000 0.904 183 L HN 0.377 nan 8.230 nan 0.000 0.435 184 A N -0.121 122.623 122.820 -0.126 0.000 1.883 184 A HA -0.144 4.175 4.320 -0.000 0.000 0.217 184 A C 1.311 178.793 177.584 -0.170 0.000 1.186 184 A CA 1.040 52.976 52.037 -0.167 0.000 0.624 184 A CB -0.412 18.515 19.000 -0.122 0.000 0.822 184 A HN 0.412 nan 8.150 nan 0.000 0.444 188 T N 0.123 114.578 114.554 -0.164 0.000 2.737 188 T HA -0.172 4.178 4.350 -0.000 0.000 0.265 188 T C 1.603 176.271 174.700 -0.053 0.000 1.038 188 T CA 2.014 64.058 62.100 -0.094 0.000 1.144 188 T CB -0.060 68.768 68.868 -0.067 0.000 0.866 188 T HN 0.498 nan 8.240 nan 0.000 0.434 189 E N 0.576 120.746 120.200 -0.051 0.000 2.106 189 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 189 E C 2.301 178.903 176.600 0.004 0.000 0.984 189 E CA 0.769 57.182 56.400 0.021 0.000 0.806 189 E CB 0.169 29.929 29.700 0.100 0.000 0.750 189 E HN 0.172 nan 8.360 nan 0.000 0.458 190 R N -0.410 120.049 120.500 -0.067 0.000 2.156 190 R HA 0.114 4.454 4.340 -0.000 0.000 0.207 190 R C 2.116 178.390 176.300 -0.044 0.000 1.040 190 R CA 0.460 56.528 56.100 -0.053 0.000 1.013 190 R CB -0.123 30.119 30.300 -0.097 0.000 0.931 190 R HN 0.238 nan 8.270 nan 0.000 0.465 191 L N -1.200 119.991 121.223 -0.052 0.000 2.731 191 L HA 0.337 4.677 4.340 -0.000 0.000 0.240 191 L C 0.942 177.803 176.870 -0.014 0.000 1.120 191 L CA 0.393 55.216 54.840 -0.028 0.000 0.913 191 L CB 0.372 42.415 42.059 -0.027 0.000 1.213 191 L HN 0.312 nan 8.230 nan 0.000 0.515 192 G N 2.079 110.867 108.800 -0.020 0.000 2.168 192 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.263 192 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.263 192 G C 0.367 175.263 174.900 -0.007 0.000 0.977 192 G CA 0.604 45.700 45.100 -0.007 0.000 0.659 192 G HN 0.465 nan 8.290 nan 0.000 0.533 193 I N -2.337 118.221 120.570 -0.020 0.000 2.392 193 I HA 0.748 4.918 4.170 -0.000 0.000 0.295 193 I C -0.138 175.940 176.117 -0.064 0.000 0.985 193 I CA -1.205 60.089 61.300 -0.011 0.000 1.221 193 I CB 1.417 39.441 38.000 0.040 0.000 1.366 193 I HN -0.166 nan 8.210 nan 0.000 0.467 194 E N 5.145 125.320 120.200 -0.042 0.000 2.354 194 E HA 0.311 4.661 4.350 -0.000 0.000 0.269 194 E C -0.716 175.799 176.600 -0.141 0.000 1.036 194 E CA -0.447 55.910 56.400 -0.070 0.000 0.876 194 E CB 2.238 31.925 29.700 -0.022 0.000 1.009 194 E HN 0.496 nan 8.360 nan 0.000 0.416 195 V N 5.247 125.041 119.914 -0.199 0.000 2.378 195 V HA 0.111 4.231 4.120 -0.000 0.000 0.288 195 V C -1.438 174.591 176.094 -0.109 0.000 1.016 195 V CA -1.255 60.875 62.300 -0.283 0.000 0.840 195 V CB 1.381 32.934 31.823 -0.450 0.000 0.994 195 V HN 0.542 nan 8.190 nan 0.000 0.431 196 P HA -0.032 nan 4.420 nan 0.000 0.215 196 P C 0.278 177.571 177.300 -0.011 0.000 1.157 196 P CA 1.185 64.288 63.100 0.004 0.000 0.868 196 P CB 0.259 31.985 31.700 0.044 0.000 0.788 197 R N -2.096 118.399 120.500 -0.007 0.000 2.698 197 R HA 0.253 4.593 4.340 -0.000 0.000 0.275 197 R C 0.992 177.277 176.300 -0.024 0.000 1.001 197 R CA -0.780 55.308 56.100 -0.019 0.000 0.896 197 R CB 1.459 31.752 30.300 -0.011 0.000 1.218 197 R HN -0.162 nan 8.270 nan 0.000 0.462 198 R N 0.723 121.201 120.500 -0.038 0.000 2.193 198 R HA -0.103 4.237 4.340 -0.000 0.000 0.229 198 R C 0.620 176.915 176.300 -0.008 0.000 1.110 198 R CA 1.578 57.661 56.100 -0.028 0.000 0.988 198 R CB -0.288 30.000 30.300 -0.019 0.000 0.871 198 R HN 0.571 nan 8.270 nan 0.000 0.458 199 E N 1.045 121.232 120.200 -0.023 0.000 2.204 199 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 199 E C 0.954 177.579 176.600 0.041 0.000 0.990 199 E CA 1.382 57.779 56.400 -0.004 0.000 0.821 199 E CB -0.192 29.493 29.700 -0.024 0.000 0.750 199 E HN 0.433 nan 8.360 nan 0.000 0.477 200 D N -0.026 120.415 120.400 0.069 0.000 2.371 200 D HA -0.059 4.580 4.640 -0.000 0.000 0.221 200 D C 0.033 176.448 176.300 0.192 0.000 0.986 200 D CA 0.462 54.551 54.000 0.148 0.000 0.899 200 D CB 0.141 41.099 40.800 0.264 0.000 0.902 200 D HN 0.142 nan 8.370 nan 0.000 0.530 201 I N 2.410 123.046 120.570 0.110 0.000 2.294 201 I HA 0.078 4.247 4.170 -0.000 0.000 0.295 201 I C 0.476 176.635 176.117 0.070 0.000 1.098 201 I CA -0.172 61.182 61.300 0.091 0.000 1.277 201 I CB 0.123 38.141 38.000 0.031 0.000 1.434 201 I HN -0.358 nan 8.210 nan 0.000 0.498 202 R N 6.094 126.634 120.500 0.067 0.000 2.196 202 R HA 0.449 4.789 4.340 -0.000 0.000 0.340 202 R C -0.386 175.934 176.300 0.033 0.000 1.043 202 R CA -0.419 55.708 56.100 0.046 0.000 0.883 202 R CB 1.619 31.938 30.300 0.032 0.000 1.078 202 R HN 0.471 nan 8.270 nan 0.000 0.462 203 V N 0.256 120.189 119.914 0.033 0.000 2.715 203 V HA 0.481 4.601 4.120 -0.000 0.000 0.310 203 V C -0.200 175.905 176.094 0.018 0.000 1.054 203 V CA -1.267 61.044 62.300 0.019 0.000 0.928 203 V CB 2.266 34.096 31.823 0.012 0.000 1.007 203 V HN 0.564 nan 8.190 nan 0.000 0.437 204 N N 2.535 121.242 118.700 0.012 0.000 2.527 204 N HA 0.490 5.230 4.740 -0.000 0.000 0.236 204 N C -0.995 174.520 175.510 0.008 0.000 0.999 204 N CA -0.246 52.811 53.050 0.011 0.000 0.935 204 N CB 1.389 39.881 38.487 0.009 0.000 1.132 204 N HN 0.854 nan 8.380 nan 0.000 0.511 205 V N 5.754 125.671 119.914 0.005 0.000 2.581 205 V HA 0.787 4.907 4.120 -0.000 0.000 0.303 205 V C -0.748 175.344 176.094 -0.003 0.000 1.041 205 V CA -0.560 61.738 62.300 -0.004 0.000 0.907 205 V CB 0.990 32.802 31.823 -0.019 0.000 0.994 205 V HN 0.612 nan 8.190 nan 0.000 0.442 206 L N 4.724 125.952 121.223 0.007 0.000 2.671 206 L HA 1.128 5.468 4.340 -0.000 0.000 0.259 206 L C -0.245 176.643 176.870 0.029 0.000 1.021 206 L CA -0.019 54.824 54.840 0.004 0.000 0.871 206 L CB 1.545 43.601 42.059 -0.005 0.000 1.472 206 L HN 1.170 nan 8.230 nan 0.000 0.410 207 G N 0.622 109.431 108.800 0.014 0.000 2.247 207 G HA2 0.202 4.162 3.960 -0.000 0.000 0.229 207 G HA3 0.202 4.162 3.960 -0.000 0.000 0.229 207 G C -1.516 173.401 174.900 0.029 0.000 1.345 207 G CA -0.300 44.827 45.100 0.045 0.000 1.100 207 G HN 1.361 nan 8.290 nan 0.000 0.473 208 I N -1.943 118.659 120.570 0.053 0.000 2.892 208 I HA 0.742 4.912 4.170 -0.000 0.000 0.306 208 I C -0.103 175.992 176.117 -0.037 0.000 1.078 208 I CA -1.195 60.119 61.300 0.023 0.000 1.032 208 I CB 2.070 40.124 38.000 0.090 0.000 1.229 208 I HN 0.550 nan 8.210 nan 0.000 0.435 209 N N 2.409 121.060 118.700 -0.082 0.000 2.292 209 N HA -0.067 4.673 4.740 -0.000 0.000 0.258 209 N C 0.279 175.714 175.510 -0.125 0.000 1.261 209 N CA 1.214 54.154 53.050 -0.184 0.000 0.845 209 N CB -0.341 37.966 38.487 -0.300 0.000 1.064 209 N HN 0.907 nan 8.380 nan 0.000 0.471 210 H N 0.438 119.424 119.070 -0.141 0.000 3.631 210 H HA -0.256 4.300 4.556 -0.000 0.000 0.202 210 H C -0.708 174.446 175.328 -0.290 0.000 1.029 210 H CA 0.953 56.910 56.048 -0.151 0.000 1.208 210 H CB -1.260 28.539 29.762 0.062 0.000 1.124 210 H HN 0.455 nan 8.280 nan 0.000 0.329 211 F N 2.173 121.800 119.950 -0.538 0.000 2.566 211 F HA 0.258 4.785 4.527 -0.000 0.000 0.352 211 F C 0.154 175.758 175.800 -0.328 0.000 1.534 211 F CA 0.197 57.765 58.000 -0.719 0.000 1.097 211 F CB 0.378 38.558 39.000 -1.366 0.000 1.488 211 F HN 0.028 nan 8.300 nan 0.000 0.562 212 T N -2.438 111.829 114.554 -0.479 0.000 2.943 212 T HA 0.662 5.012 4.350 -0.000 0.000 0.284 212 T C -0.989 173.321 174.700 -0.650 0.000 1.015 212 T CA -0.388 61.515 62.100 -0.329 0.000 1.042 212 T CB 1.654 70.392 68.868 -0.216 0.000 1.055 212 T HN 0.261 nan 8.240 nan 0.000 0.500 213 W N 0.259 121.395 121.300 -0.273 0.000 3.138 213 W HA 0.627 5.287 4.660 -0.000 0.000 0.331 213 W C -1.068 175.355 176.519 -0.160 0.000 1.166 213 W CA -1.100 56.098 57.345 -0.245 0.000 1.212 213 W CB 1.523 30.802 29.460 -0.302 0.000 1.399 213 W HN 0.603 nan 8.180 nan 0.000 0.514 214 I N 2.755 123.362 120.570 0.061 0.000 2.330 214 I HA 0.196 4.366 4.170 -0.000 0.000 0.289 214 I C 1.095 177.246 176.117 0.058 0.000 1.001 214 I CA -0.285 61.026 61.300 0.018 0.000 1.193 214 I CB 1.585 39.550 38.000 -0.058 0.000 1.345 214 I HN 0.629 nan 8.210 nan 0.000 0.461 215 T N 1.672 116.256 114.554 0.050 0.000 3.014 215 T HA 0.270 4.620 4.350 -0.000 0.000 0.250 215 T C 0.551 175.277 174.700 0.043 0.000 1.060 215 T CA 0.107 62.238 62.100 0.052 0.000 1.040 215 T CB 0.166 69.048 68.868 0.024 0.000 0.971 215 T HN 0.451 nan 8.240 nan 0.000 0.497 216 K N 0.511 120.928 120.400 0.028 0.000 2.502 216 K HA 0.803 5.123 4.320 -0.000 0.000 0.257 216 K C -1.591 175.018 176.600 0.015 0.000 0.938 216 K CA -1.017 55.286 56.287 0.026 0.000 0.819 216 K CB 2.695 35.207 32.500 0.020 0.000 1.333 216 K HN 0.184 nan 8.250 nan 0.000 0.434 217 A N 0.851 123.681 122.820 0.016 0.000 2.589 217 A HA 0.763 5.083 4.320 -0.000 0.000 0.296 217 A C -1.365 176.230 177.584 0.018 0.000 1.062 217 A CA -0.710 51.333 52.037 0.011 0.000 0.686 217 A CB 1.690 20.685 19.000 -0.009 0.000 1.282 217 A HN 0.730 nan 8.150 nan 0.000 0.404 218 S N 0.111 115.826 115.700 0.025 0.000 2.556 218 S HA 0.706 5.176 4.470 -0.000 0.000 0.271 218 S C -1.469 173.177 174.600 0.076 0.000 1.135 218 S CA -0.583 57.633 58.200 0.025 0.000 0.858 218 S CB 1.464 64.663 63.200 -0.002 0.000 1.114 218 S HN 1.713 nan 8.310 nan 0.000 0.468 219 Y N 2.595 122.846 120.300 -0.081 0.000 2.328 219 Y HA 0.602 5.152 4.550 -0.000 0.000 0.333 219 Y C 0.899 176.729 175.900 -0.116 0.000 0.958 219 Y CA -0.592 57.457 58.100 -0.085 0.000 1.167 219 Y CB 0.725 39.128 38.460 -0.095 0.000 1.151 219 Y HN 1.111 nan 8.280 nan 0.000 0.470 220 R N 1.562 121.710 120.500 -0.585 0.000 3.731 220 R HA -0.350 3.990 4.340 -0.000 0.000 0.488 220 R C 1.346 177.522 176.300 -0.207 0.000 0.241 220 R CA 2.223 58.077 56.100 -0.409 0.000 1.531 220 R CB -1.299 28.681 30.300 -0.533 0.000 0.923 220 R HN 0.948 nan 8.270 nan 0.000 0.596 221 H N 1.421 120.393 119.070 -0.163 0.000 2.539 221 H HA 0.281 4.837 4.556 -0.000 0.000 0.267 221 H C 0.606 175.909 175.328 -0.041 0.000 0.982 221 H CA 0.396 56.395 56.048 -0.081 0.000 1.146 221 H CB -0.068 29.653 29.762 -0.068 0.000 1.382 221 H HN 0.242 nan 8.280 nan 0.000 0.577 222 I N 2.681 123.019 120.570 -0.388 0.000 2.331 222 I HA 0.010 4.180 4.170 -0.000 0.000 0.292 222 I C 0.102 176.178 176.117 -0.068 0.000 0.998 222 I CA -0.638 60.531 61.300 -0.219 0.000 1.267 222 I CB 1.391 39.249 38.000 -0.236 0.000 1.386 222 I HN -0.020 nan 8.210 nan 0.000 0.476 223 D N 6.460 126.849 120.400 -0.019 0.000 2.343 223 D HA 0.136 4.776 4.640 -0.000 0.000 0.255 223 D C 0.638 176.949 176.300 0.019 0.000 1.187 223 D CA 0.188 54.195 54.000 0.010 0.000 0.875 223 D CB 1.202 42.018 40.800 0.027 0.000 1.136 223 D HN 0.438 nan 8.370 nan 0.000 0.469 224 L N 3.512 124.750 121.223 0.025 0.000 2.446 224 L HA -0.016 4.324 4.340 -0.000 0.000 0.219 224 L C 2.128 179.036 176.870 0.063 0.000 1.116 224 L CA -0.135 54.722 54.840 0.028 0.000 0.844 224 L CB -0.051 42.017 42.059 0.015 0.000 0.970 224 L HN 0.383 nan 8.230 nan 0.000 0.457 225 L N 0.700 121.969 121.223 0.077 0.000 1.989 225 L HA -0.138 4.202 4.340 -0.000 0.000 0.211 225 L C -0.274 176.699 176.870 0.173 0.000 1.071 225 L CA 2.235 57.156 54.840 0.135 0.000 0.749 225 L CB -1.410 40.742 42.059 0.155 0.000 0.890 225 L HN 0.131 nan 8.230 nan 0.000 0.431 226 P HA -0.155 nan 4.420 nan 0.000 0.218 226 P C 1.852 179.206 177.300 0.091 0.000 1.148 226 P CA 1.507 64.680 63.100 0.120 0.000 0.822 226 P CB -0.007 31.742 31.700 0.082 0.000 0.784 227 I N -2.532 118.078 120.570 0.065 0.000 2.353 227 I HA -0.194 3.976 4.170 -0.000 0.000 0.248 227 I C 2.157 178.294 176.117 0.033 0.000 1.119 227 I CA 1.100 62.415 61.300 0.024 0.000 1.417 227 I CB -0.502 37.484 38.000 -0.023 0.000 1.078 227 I HN -0.140 nan 8.210 nan 0.000 0.421 228 F N 1.769 121.658 119.950 -0.101 0.000 2.234 228 F HA -0.194 4.333 4.527 -0.000 0.000 0.299 228 F C 2.560 178.215 175.800 -0.242 0.000 1.087 228 F CA 1.305 59.208 58.000 -0.162 0.000 1.340 228 F CB -0.160 38.673 39.000 -0.277 0.000 1.031 228 F HN -0.172 nan 8.300 nan 0.000 0.500 229 R N 0.586 121.095 120.500 0.015 0.000 2.094 229 R HA -0.215 4.125 4.340 -0.000 0.000 0.239 229 R C 2.131 178.429 176.300 -0.003 0.000 1.137 229 R CA 2.390 58.552 56.100 0.104 0.000 0.943 229 R CB -0.387 30.055 30.300 0.237 0.000 0.850 229 R HN 0.337 nan 8.270 nan 0.000 0.433 230 E N -1.237 118.957 120.200 -0.010 0.000 2.076 230 E HA -0.126 4.224 4.350 -0.000 0.000 0.190 230 E C 1.623 178.167 176.600 -0.093 0.000 0.979 230 E CA 0.990 57.369 56.400 -0.034 0.000 0.807 230 E CB -0.195 29.496 29.700 -0.015 0.000 0.761 230 E HN 0.205 nan 8.360 nan 0.000 0.454 231 F N 1.205 120.972 119.950 -0.305 0.000 2.091 231 F HA -0.292 4.235 4.527 -0.000 0.000 0.299 231 F C 2.559 177.974 175.800 -0.641 0.000 1.103 231 F CA 1.736 59.500 58.000 -0.393 0.000 1.228 231 F CB -0.635 38.066 39.000 -0.499 0.000 0.984 231 F HN -0.044 nan 8.300 nan 0.000 0.477 232 S N -0.263 114.940 115.700 -0.829 0.000 2.368 232 S HA -0.146 4.324 4.470 -0.000 0.000 0.225 232 S C 2.279 176.504 174.600 -0.624 0.000 1.030 232 S CA 1.199 58.753 58.200 -1.077 0.000 0.999 232 S CB -0.759 62.099 63.200 -0.570 0.000 0.844 232 S HN 0.471 nan 8.310 nan 0.000 0.459 233 A N 0.909 123.541 122.820 -0.314 0.000 1.898 233 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 233 A C 2.179 179.616 177.584 -0.245 0.000 1.181 233 A CA 1.602 53.533 52.037 -0.177 0.000 0.620 233 A CB -1.199 17.759 19.000 -0.071 0.000 0.819 233 A HN 0.811 nan 8.150 nan 0.000 0.442 234 H N -2.229 116.578 119.070 -0.438 0.000 2.357 234 H HA -0.099 4.457 4.556 -0.000 0.000 0.301 234 H C 0.700 175.622 175.328 -0.677 0.000 1.082 234 H CA 1.774 57.482 56.048 -0.565 0.000 1.342 234 H CB 0.094 29.425 29.762 -0.718 0.000 1.389 234 H HN 0.558 nan 8.280 nan 0.000 0.511 235 Y N -0.344 119.628 120.300 -0.546 0.000 2.555 235 Y HA 0.224 4.774 4.550 -0.000 0.000 0.259 235 Y C 2.273 177.956 175.900 -0.362 0.000 1.179 235 Y CA 0.217 58.031 58.100 -0.478 0.000 1.230 235 Y CB 0.296 38.443 38.460 -0.521 0.000 1.146 235 Y HN 0.213 nan 8.280 nan 0.000 0.526 236 G N 0.175 108.810 108.800 -0.275 0.000 2.442 236 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.219 236 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.219 236 G C 1.638 176.578 174.900 0.066 0.000 1.141 236 G CA 1.021 46.105 45.100 -0.027 0.000 0.763 236 G HN 0.224 nan 8.290 nan 0.000 0.554 237 E N 0.726 120.903 120.200 -0.037 0.000 2.086 237 E HA -0.050 4.300 4.350 -0.000 0.000 0.190 237 E C 3.024 179.597 176.600 -0.046 0.000 0.975 237 E CA 1.208 57.570 56.400 -0.062 0.000 0.813 237 E CB -0.364 29.278 29.700 -0.096 0.000 0.768 237 E HN 0.547 nan 8.360 nan 0.000 0.457 238 S N -0.206 115.490 115.700 -0.007 0.000 2.446 238 S HA 0.168 4.638 4.470 -0.000 0.000 0.225 238 S C 1.215 175.878 174.600 0.104 0.000 1.016 238 S CA 0.691 58.917 58.200 0.043 0.000 0.943 238 S CB -0.103 63.148 63.200 0.086 0.000 0.786 238 S HN 0.349 nan 8.310 nan 0.000 0.508 239 G N 0.326 109.252 108.800 0.209 0.000 2.795 239 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.664 239 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.664 239 G C -0.970 174.147 174.900 0.362 0.000 1.381 239 G CA -0.229 45.058 45.100 0.311 0.000 0.853 239 G HN 1.020 nan 8.290 nan 0.000 0.545 240 Y N 0.718 121.155 120.300 0.229 0.000 2.354 240 Y HA 0.620 5.170 4.550 -0.000 0.000 0.330 240 Y C -0.217 175.793 175.900 0.184 0.000 1.011 240 Y CA -0.752 57.362 58.100 0.024 0.000 1.099 240 Y CB 1.524 39.853 38.460 -0.219 0.000 1.179 240 Y HN 0.702 nan 8.280 nan 0.000 0.442 241 E N 5.882 125.763 120.200 -0.532 0.000 2.191 241 E HA 0.399 4.749 4.350 -0.000 0.000 0.278 241 E C -0.734 175.596 176.600 -0.450 0.000 0.972 241 E CA -0.810 55.426 56.400 -0.273 0.000 0.804 241 E CB 1.691 31.334 29.700 -0.096 0.000 1.110 241 E HN 0.630 nan 8.360 nan 0.000 0.394 242 L N 1.469 122.660 121.223 -0.054 0.000 2.503 242 L HA -0.034 4.306 4.340 -0.000 0.000 0.287 242 L C 0.939 177.783 176.870 -0.045 0.000 1.252 242 L CA 0.257 55.106 54.840 0.015 0.000 0.835 242 L CB 0.063 42.195 42.059 0.121 0.000 1.099 242 L HN 0.473 nan 8.230 nan 0.000 0.516 243 E N 0.955 121.155 120.200 -0.001 0.000 2.452 243 E HA 0.212 4.562 4.350 -0.000 0.000 0.261 243 E C 1.009 177.609 176.600 0.001 0.000 0.987 243 E CA 0.615 57.014 56.400 -0.003 0.000 0.926 243 E CB 0.686 30.400 29.700 0.024 0.000 0.934 243 E HN 0.882 nan 8.360 nan 0.000 0.452 244 G N 3.139 111.936 108.800 -0.006 0.000 2.168 244 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.263 244 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.263 244 G C 0.141 175.041 174.900 0.000 0.000 0.977 244 G CA 0.692 45.791 45.100 -0.001 0.000 0.659 244 G HN 0.582 nan 8.290 nan 0.000 0.533 245 E N -1.040 119.159 120.200 -0.001 0.000 2.277 245 E HA 0.590 4.940 4.350 -0.000 0.000 0.266 245 E C -0.605 176.001 176.600 0.010 0.000 0.901 245 E CA -0.501 55.907 56.400 0.013 0.000 0.782 245 E CB 2.472 32.195 29.700 0.039 0.000 1.228 245 E HN 0.393 nan 8.360 nan 0.000 0.424 246 C N 3.390 122.698 119.300 0.013 0.000 2.626 246 C HA 0.390 4.850 4.460 -0.000 0.000 0.310 246 C C 1.231 176.249 174.990 0.046 0.000 1.191 246 C CA -0.687 58.335 59.018 0.008 0.000 1.517 246 C CB 0.106 27.805 27.740 -0.069 0.000 2.102 246 C HN 1.128 nan 8.230 nan 0.000 0.479 247 W N 3.975 125.287 121.300 0.020 0.000 2.421 247 W HA -0.019 4.641 4.660 -0.000 0.000 0.270 247 W C 1.216 177.850 176.519 0.190 0.000 1.233 247 W CA 0.670 58.050 57.345 0.057 0.000 1.226 247 W CB -0.652 28.811 29.460 0.005 0.000 1.121 247 W HN 0.771 nan 8.180 nan 0.000 0.579 248 R N 0.836 121.007 120.500 -0.550 0.000 2.313 248 R HA -0.039 4.301 4.340 -0.000 0.000 0.199 248 R C 1.412 177.569 176.300 -0.238 0.000 0.958 248 R CA 0.707 56.501 56.100 -0.509 0.000 1.047 248 R CB -0.231 29.608 30.300 -0.768 0.000 0.955 248 R HN 0.032 nan 8.270 nan 0.000 0.481 249 D N 0.911 121.232 120.400 -0.132 0.000 2.149 249 D HA -0.092 4.548 4.640 -0.000 0.000 0.198 249 D C 0.951 177.186 176.300 -0.108 0.000 0.990 249 D CA 1.461 55.405 54.000 -0.093 0.000 0.839 249 D CB 0.161 40.941 40.800 -0.033 0.000 0.948 249 D HN 0.244 nan 8.370 nan 0.000 0.460 250 S N -1.744 113.871 115.700 -0.141 0.000 2.615 250 S HA 0.241 4.711 4.470 -0.000 0.000 0.269 250 S C 0.763 175.067 174.600 -0.493 0.000 1.161 250 S CA -0.251 57.809 58.200 -0.234 0.000 0.817 250 S CB 1.434 64.632 63.200 -0.003 0.000 1.131 250 S HN -0.081 nan 8.310 nan 0.000 0.467 251 V N -0.679 118.787 119.914 -0.745 0.000 2.867 251 V HA 0.114 4.233 4.120 -0.000 0.000 0.260 251 V C 1.439 177.190 176.094 -0.573 0.000 1.099 251 V CA 1.338 63.126 62.300 -0.853 0.000 1.122 251 V CB -1.548 29.633 31.823 -1.069 0.000 0.708 251 V HN 0.731 nan 8.190 nan 0.000 0.490 252 F N 0.101 119.966 119.950 -0.141 0.000 2.710 252 F HA 0.316 4.842 4.527 -0.000 0.000 0.298 252 F C 1.623 177.459 175.800 0.060 0.000 1.137 252 F CA -0.595 57.391 58.000 -0.022 0.000 1.444 252 F CB -0.874 38.116 39.000 -0.017 0.000 1.111 252 F HN 0.192 nan 8.300 nan 0.000 0.580 253 C N 0.207 119.647 119.300 0.233 0.000 2.422 253 C HA 0.700 5.160 4.460 -0.000 0.000 0.364 253 C C 0.743 175.907 174.990 0.290 0.000 1.251 253 C CA -0.596 58.564 59.018 0.236 0.000 2.441 253 C CB 0.883 28.753 27.740 0.216 0.000 2.393 253 C HN 0.473 nan 8.230 nan 0.000 0.606 254 S N -0.029 115.748 115.700 0.129 0.000 2.643 254 S HA 0.700 5.170 4.470 -0.000 0.000 0.270 254 S C -0.590 173.904 174.600 -0.176 0.000 1.166 254 S CA 0.118 58.318 58.200 -0.000 0.000 0.815 254 S CB 1.115 64.223 63.200 -0.154 0.000 1.139 254 S HN 1.279 nan 8.310 nan 0.000 0.472 255 A N -0.062 122.614 122.820 -0.240 0.000 2.535 255 A HA 0.517 4.837 4.320 -0.000 0.000 0.273 255 A C 0.337 177.860 177.584 -0.102 0.000 1.267 255 A CA 0.313 52.273 52.037 -0.129 0.000 0.940 255 A CB -1.270 17.671 19.000 -0.099 0.000 1.101 255 A HN 1.450 nan 8.150 nan 0.000 0.521 256 H N -1.152 117.821 119.070 -0.162 0.000 2.958 256 H HA -0.207 4.349 4.556 -0.000 0.000 0.274 256 H C 1.549 176.568 175.328 -0.514 0.000 1.184 256 H CA 1.104 56.907 56.048 -0.408 0.000 1.143 256 H CB -1.355 28.044 29.762 -0.605 0.000 1.297 256 H HN 0.595 nan 8.280 nan 0.000 0.356 257 R N -0.049 120.412 120.500 -0.064 0.000 2.096 257 R HA -0.073 4.267 4.340 -0.000 0.000 0.235 257 R C 1.857 178.305 176.300 0.248 0.000 1.127 257 R CA 1.659 57.893 56.100 0.223 0.000 0.968 257 R CB -0.019 30.462 30.300 0.302 0.000 0.861 257 R HN 0.271 nan 8.270 nan 0.000 0.440 258 V N 0.918 120.798 119.914 -0.056 0.000 2.379 258 V HA -0.190 3.929 4.120 -0.000 0.000 0.245 258 V C 2.493 178.444 176.094 -0.238 0.000 1.044 258 V CA 1.832 63.875 62.300 -0.428 0.000 1.036 258 V CB -0.660 30.637 31.823 -0.878 0.000 0.664 258 V HN 0.356 nan 8.190 nan 0.000 0.453 259 A N -0.005 122.706 122.820 -0.182 0.000 1.877 259 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 259 A C 2.024 179.760 177.584 0.252 0.000 1.186 259 A CA 1.834 53.842 52.037 -0.048 0.000 0.620 259 A CB -0.707 18.234 19.000 -0.098 0.000 0.822 259 A HN 0.437 nan 8.150 nan 0.000 0.443 260 F N 0.275 120.399 119.950 0.290 0.000 2.126 260 F HA -0.142 4.385 4.527 -0.000 0.000 0.299 260 F C 2.079 178.095 175.800 0.359 0.000 1.096 260 F CA 1.274 59.467 58.000 0.323 0.000 1.255 260 F CB -1.196 37.914 39.000 0.184 0.000 0.997 260 F HN 0.376 nan 8.300 nan 0.000 0.479 261 D N 0.204 120.903 120.400 0.498 0.000 2.104 261 D HA -0.171 4.469 4.640 -0.000 0.000 0.194 261 D C 2.256 178.771 176.300 0.358 0.000 0.994 261 D CA 1.190 55.439 54.000 0.416 0.000 0.830 261 D CB -0.187 40.859 40.800 0.409 0.000 0.959 261 D HN 0.214 nan 8.370 nan 0.000 0.452 262 L N -0.550 120.885 121.223 0.353 0.000 2.083 262 L HA -0.101 4.239 4.340 -0.000 0.000 0.209 262 L C 2.256 179.453 176.870 0.546 0.000 1.083 262 L CA 0.746 55.873 54.840 0.479 0.000 0.752 262 L CB -0.556 41.799 42.059 0.494 0.000 0.899 262 L HN 0.143 nan 8.230 nan 0.000 0.433 263 F N 1.233 121.440 119.950 0.428 0.000 2.134 263 F HA -0.221 4.306 4.527 -0.000 0.000 0.299 263 F C 2.545 178.536 175.800 0.318 0.000 1.097 263 F CA 1.551 59.811 58.000 0.432 0.000 1.264 263 F CB -0.055 39.297 39.000 0.587 0.000 1.001 263 F HN 0.014 nan 8.300 nan 0.000 0.479 264 E N -0.023 120.378 120.200 0.335 0.000 2.085 264 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 264 E C 2.278 178.842 176.600 -0.059 0.000 0.994 264 E CA 1.954 58.434 56.400 0.135 0.000 0.801 264 E CB -1.096 28.727 29.700 0.205 0.000 0.743 264 E HN 0.406 nan 8.360 nan 0.000 0.453 265 T N 0.003 114.509 114.554 -0.080 0.000 2.812 265 T HA -0.097 4.253 4.350 -0.000 0.000 0.264 265 T C 1.307 175.743 174.700 -0.440 0.000 1.042 265 T CA 1.192 63.094 62.100 -0.331 0.000 1.140 265 T CB -0.187 68.345 68.868 -0.560 0.000 0.870 265 T HN 0.193 nan 8.240 nan 0.000 0.445 266 Y N -0.324 119.930 120.300 -0.077 0.000 2.444 266 Y HA 0.436 4.986 4.550 -0.000 0.000 0.252 266 Y C 1.986 177.743 175.900 -0.238 0.000 1.091 266 Y CA -0.221 57.788 58.100 -0.152 0.000 1.276 266 Y CB 0.194 38.536 38.460 -0.197 0.000 1.170 266 Y HN 0.277 nan 8.280 nan 0.000 0.517 267 G N 0.389 109.002 108.800 -0.311 0.000 2.159 267 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.256 267 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.256 267 G C 0.208 174.991 174.900 -0.194 0.000 0.977 267 G CA 0.145 44.935 45.100 -0.517 0.000 0.652 267 G HN 0.661 nan 8.290 nan 0.000 0.531 268 A N -0.482 122.374 122.820 0.061 0.000 2.354 268 A HA 0.844 5.164 4.320 -0.000 0.000 0.321 268 A C 0.081 177.984 177.584 0.533 0.000 1.125 268 A CA -0.778 51.436 52.037 0.295 0.000 0.799 268 A CB 1.053 20.190 19.000 0.227 0.000 1.293 268 A HN 0.679 nan 8.150 nan 0.000 0.452 269 I N 2.178 122.919 120.570 0.286 0.000 2.337 269 I HA 0.224 4.394 4.170 -0.000 0.000 0.291 269 I C -2.210 173.819 176.117 -0.146 0.000 1.046 269 I CA -1.770 59.504 61.300 -0.044 0.000 1.324 269 I CB 1.218 38.910 38.000 -0.512 0.000 1.409 269 I HN 0.339 nan 8.210 nan 0.000 0.494 270 P HA 0.029 nan 4.420 nan 0.000 0.267 270 P C -0.370 176.601 177.300 -0.548 0.000 1.205 270 P CA -0.064 62.524 63.100 -0.854 0.000 0.765 270 P CB 0.781 32.093 31.700 -0.647 0.000 0.828 271 A N 2.433 124.887 122.820 -0.610 0.000 2.985 271 A HA 0.675 4.995 4.320 -0.000 0.000 0.303 271 A C 0.063 177.493 177.584 -0.255 0.000 1.048 271 A CA -0.161 51.675 52.037 -0.335 0.000 1.016 271 A CB -0.310 18.533 19.000 -0.261 0.000 1.118 271 A HN 0.549 nan 8.150 nan 0.000 0.529 272 A N -0.861 121.820 122.820 -0.231 0.000 2.602 272 A HA 0.782 5.102 4.320 -0.000 0.000 0.290 272 A C 0.320 177.883 177.584 -0.035 0.000 1.114 272 A CA -0.100 51.878 52.037 -0.099 0.000 0.683 272 A CB 0.127 19.065 19.000 -0.103 0.000 1.281 272 A HN 1.308 nan 8.150 nan 0.000 0.416 273 G N -0.184 108.674 108.800 0.097 0.000 2.491 273 G HA2 0.345 4.305 3.960 -0.000 0.000 0.238 273 G HA3 0.345 4.305 3.960 -0.000 0.000 0.238 273 G C 0.050 174.889 174.900 -0.102 0.000 1.277 273 G CA 0.447 45.576 45.100 0.048 0.000 0.851 273 G HN 0.636 nan 8.290 nan 0.000 0.573 274 D N 0.367 120.624 120.400 -0.239 0.000 2.170 274 D HA -0.216 4.424 4.640 -0.000 0.000 0.193 274 D C 2.620 178.528 176.300 -0.654 0.000 1.004 274 D CA 1.580 55.273 54.000 -0.513 0.000 0.860 274 D CB -0.039 40.388 40.800 -0.622 0.000 0.931 274 D HN 0.714 nan 8.370 nan 0.000 0.448 275 R N -0.099 120.159 120.500 -0.403 0.000 2.120 275 R HA -0.133 4.207 4.340 -0.000 0.000 0.234 275 R C 1.569 177.689 176.300 -0.299 0.000 1.123 275 R CA 1.399 57.349 56.100 -0.250 0.000 0.975 275 R CB -0.749 29.487 30.300 -0.107 0.000 0.866 275 R HN 0.369 nan 8.270 nan 0.000 0.446 276 H N 0.849 119.859 119.070 -0.101 0.000 2.329 276 H HA 0.128 4.684 4.556 -0.000 0.000 0.306 276 H C 2.220 177.607 175.328 0.098 0.000 1.062 276 H CA 1.393 57.418 56.048 -0.039 0.000 1.364 276 H CB -0.027 29.620 29.762 -0.190 0.000 1.409 276 H HN -0.027 nan 8.280 nan 0.000 0.519 277 L N 0.431 121.705 121.223 0.086 0.000 2.043 277 L HA -0.243 4.097 4.340 -0.000 0.000 0.212 277 L C 2.653 179.599 176.870 0.127 0.000 1.075 277 L CA 1.005 55.900 54.840 0.092 0.000 0.752 277 L CB -0.540 41.427 42.059 -0.153 0.000 0.891 277 L HN 0.372 nan 8.230 nan 0.000 0.432 278 A N -0.426 122.340 122.820 -0.090 0.000 2.070 278 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 278 A C 2.074 179.739 177.584 0.135 0.000 1.159 278 A CA 1.396 53.414 52.037 -0.031 0.000 0.656 278 A CB -0.356 18.537 19.000 -0.178 0.000 0.800 278 A HN 0.508 nan 8.150 nan 0.000 0.453 279 E N -1.626 118.640 120.200 0.110 0.000 2.435 279 E HA -0.003 4.347 4.350 -0.000 0.000 0.195 279 E C 0.804 177.319 176.600 -0.142 0.000 1.029 279 E CA 0.340 56.734 56.400 -0.009 0.000 0.865 279 E CB -0.105 29.543 29.700 -0.087 0.000 0.833 279 E HN 0.768 nan 8.360 nan 0.000 0.510 280 F N 0.694 120.603 119.950 -0.069 0.000 2.664 280 F HA 0.051 4.578 4.527 -0.000 0.000 0.296 280 F C 0.448 176.259 175.800 0.018 0.000 1.125 280 F CA -0.063 57.793 58.000 -0.239 0.000 1.444 280 F CB 0.486 39.014 39.000 -0.786 0.000 1.114 280 F HN -0.034 nan 8.300 nan 0.000 0.576 281 L N -3.783 117.579 121.223 0.232 0.000 2.540 281 L HA 0.637 4.977 4.340 -0.000 0.000 0.256 281 L C -3.120 173.845 176.870 0.159 0.000 1.001 281 L CA -3.458 51.514 54.840 0.221 0.000 0.843 281 L CB -0.477 41.778 42.059 0.327 0.000 1.436 281 L HN -0.385 nan 8.230 nan 0.000 0.410 282 P HA 0.554 nan 4.420 nan 0.000 0.266 282 P C -0.023 177.244 177.300 -0.055 0.000 1.195 282 P CA 0.506 63.618 63.100 0.020 0.000 0.768 282 P CB 0.624 32.334 31.700 0.016 0.000 0.838 283 G N 2.570 111.245 108.800 -0.208 0.000 2.328 283 G HA2 0.290 4.250 3.960 -0.000 0.000 0.295 283 G HA3 0.290 4.250 3.960 -0.000 0.000 0.295 283 G C -2.706 171.864 174.900 -0.550 0.000 1.413 283 G CA -0.755 44.005 45.100 -0.567 0.000 0.817 283 G HN 0.277 nan 8.290 nan 0.000 0.546 284 P HA 0.080 nan 4.420 nan 0.000 0.245 284 P C 0.694 177.856 177.300 -0.229 0.000 1.212 284 P CA 0.384 63.328 63.100 -0.260 0.000 0.774 284 P CB -0.009 31.711 31.700 0.033 0.000 0.999 285 Y N 0.502 120.656 120.300 -0.242 0.000 2.114 285 Y HA -0.110 4.440 4.550 -0.000 0.000 0.284 285 Y C 2.502 178.509 175.900 0.177 0.000 1.143 285 Y CA 0.819 58.801 58.100 -0.197 0.000 1.135 285 Y CB -1.612 36.693 38.460 -0.258 0.000 0.980 285 Y HN -0.145 nan 8.280 nan 0.000 0.499 286 L N -0.271 121.119 121.223 0.277 0.000 2.291 286 L HA -0.116 4.224 4.340 -0.000 0.000 0.214 286 L C 1.732 178.631 176.870 0.049 0.000 1.120 286 L CA 1.246 56.224 54.840 0.231 0.000 0.799 286 L CB -0.284 41.909 42.059 0.223 0.000 0.925 286 L HN 0.206 nan 8.230 nan 0.000 0.446 287 K N -0.402 120.009 120.400 0.018 0.000 2.353 287 K HA 0.113 4.433 4.320 -0.000 0.000 0.195 287 K C 0.154 176.715 176.600 -0.065 0.000 1.031 287 K CA 0.177 56.401 56.287 -0.106 0.000 1.079 287 K CB 0.535 33.009 32.500 -0.043 0.000 0.857 287 K HN 0.284 nan 8.250 nan 0.000 0.535 288 Q N 0.289 120.127 119.800 0.063 0.000 2.805 288 Q HA 0.125 4.465 4.340 -0.000 0.000 0.360 288 Q C -2.269 173.819 176.000 0.147 0.000 0.832 288 Q CA -1.376 54.492 55.803 0.109 0.000 1.020 288 Q CB 1.194 30.056 28.738 0.206 0.000 1.444 288 Q HN -0.027 nan 8.270 nan 0.000 0.391 289 P HA -0.234 nan 4.420 nan 0.000 0.217 289 P C 0.974 178.074 177.300 -0.334 0.000 1.150 289 P CA 1.365 64.200 63.100 -0.442 0.000 0.832 289 P CB 0.335 31.587 31.700 -0.746 0.000 0.787 290 E N 0.317 120.414 120.200 -0.172 0.000 2.051 290 E HA -0.107 4.243 4.350 -0.000 0.000 0.192 290 E C 2.138 178.620 176.600 -0.197 0.000 0.991 290 E CA 1.089 57.442 56.400 -0.078 0.000 0.799 290 E CB -1.714 28.018 29.700 0.053 0.000 0.748 290 E HN 0.091 nan 8.360 nan 0.000 0.449 291 V N 0.001 119.823 119.914 -0.153 0.000 2.490 291 V HA -0.196 3.924 4.120 -0.000 0.000 0.250 291 V C 1.556 177.362 176.094 -0.480 0.000 1.061 291 V CA 1.794 63.917 62.300 -0.295 0.000 1.064 291 V CB -0.686 30.954 31.823 -0.305 0.000 0.670 291 V HN 0.295 nan 8.190 nan 0.000 0.461 292 W N -0.503 120.724 121.300 -0.121 0.000 3.278 292 W HA 0.281 4.941 4.660 -0.000 0.000 0.308 292 W C 1.057 177.447 176.519 -0.215 0.000 1.253 292 W CA -0.401 56.933 57.345 -0.018 0.000 1.759 292 W CB -0.021 29.620 29.460 0.302 0.000 1.093 292 W HN 0.068 nan 8.180 nan 0.000 0.648 293 K N -0.061 119.992 120.400 -0.579 0.000 3.096 293 K HA -0.241 4.079 4.320 -0.000 0.000 0.266 293 K C -0.612 175.483 176.600 -0.842 0.000 1.043 293 K CA 0.827 56.185 56.287 -1.548 0.000 0.758 293 K CB -2.754 28.873 32.500 -1.455 0.000 1.260 293 K HN 0.356 nan 8.250 nan 0.000 0.481 294 F N -2.172 117.402 119.950 -0.626 0.000 2.824 294 F HA 0.682 5.209 4.527 -0.000 0.000 0.330 294 F C -0.235 175.385 175.800 -0.299 0.000 1.175 294 F CA -1.272 56.555 58.000 -0.289 0.000 0.974 294 F CB 1.110 40.018 39.000 -0.154 0.000 1.430 294 F HN -0.036 nan 8.300 nan 0.000 0.507 295 H N 0.726 119.735 119.070 -0.101 0.000 2.797 295 H HA 0.586 5.142 4.556 -0.000 0.000 0.372 295 H C -0.928 174.277 175.328 -0.205 0.000 1.168 295 H CA -0.811 55.106 56.048 -0.218 0.000 1.163 295 H CB 2.392 32.096 29.762 -0.097 0.000 1.778 295 H HN 0.474 nan 8.280 nan 0.000 0.551 296 L N 1.001 122.185 121.223 -0.065 0.000 2.399 296 L HA 0.263 4.603 4.340 -0.000 0.000 0.266 296 L C 0.398 177.242 176.870 -0.043 0.000 1.114 296 L CA -0.385 54.455 54.840 -0.000 0.000 0.804 296 L CB 0.740 42.825 42.059 0.044 0.000 1.146 296 L HN 0.507 nan 8.230 nan 0.000 0.451 297 T N 2.886 117.399 114.554 -0.067 0.000 2.781 297 T HA 0.347 4.697 4.350 -0.000 0.000 0.305 297 T C -2.253 172.470 174.700 0.039 0.000 1.001 297 T CA -1.043 60.973 62.100 -0.140 0.000 0.950 297 T CB 0.971 69.717 68.868 -0.204 0.000 0.955 297 T HN 0.401 nan 8.240 nan 0.000 0.471 298 P HA 0.387 nan 4.420 nan 0.000 0.280 298 P C 0.763 178.273 177.300 0.349 0.000 1.272 298 P CA -0.712 62.584 63.100 0.326 0.000 0.819 298 P CB 1.064 32.916 31.700 0.253 0.000 1.122 299 I N 0.363 121.233 120.570 0.501 0.000 2.614 299 I HA -0.161 4.009 4.170 -0.000 0.000 0.258 299 I C 2.323 178.551 176.117 0.185 0.000 1.189 299 I CA 1.574 63.051 61.300 0.295 0.000 1.462 299 I CB -1.994 36.184 38.000 0.297 0.000 1.092 299 I HN 0.402 nan 8.210 nan 0.000 0.442 300 S N 1.503 117.296 115.700 0.157 0.000 2.382 300 S HA -0.242 4.228 4.470 -0.000 0.000 0.228 300 S C 2.102 176.753 174.600 0.085 0.000 1.027 300 S CA 0.858 59.111 58.200 0.087 0.000 0.991 300 S CB -1.262 61.974 63.200 0.060 0.000 0.823 300 S HN 0.436 nan 8.310 nan 0.000 0.469 301 F N 3.037 123.003 119.950 0.026 0.000 2.134 301 F HA 0.014 4.541 4.527 -0.000 0.000 0.299 301 F C 2.527 178.344 175.800 0.028 0.000 1.097 301 F CA 1.430 59.432 58.000 0.005 0.000 1.264 301 F CB -0.244 38.734 39.000 -0.036 0.000 1.001 301 F HN 0.050 nan 8.300 nan 0.000 0.479 302 R N 0.381 120.916 120.500 0.058 0.000 2.092 302 R HA -0.124 4.216 4.340 -0.000 0.000 0.231 302 R C 2.252 178.484 176.300 -0.113 0.000 1.119 302 R CA 1.589 57.672 56.100 -0.028 0.000 0.970 302 R CB -0.389 30.002 30.300 0.152 0.000 0.864 302 R HN 0.305 nan 8.270 nan 0.000 0.440 303 K N 0.685 121.053 120.400 -0.054 0.000 2.026 303 K HA -0.214 4.106 4.320 -0.000 0.000 0.208 303 K C 2.238 178.775 176.600 -0.106 0.000 1.048 303 K CA 1.422 57.678 56.287 -0.051 0.000 0.929 303 K CB -0.058 32.434 32.500 -0.012 0.000 0.713 303 K HN 0.160 nan 8.250 nan 0.000 0.439 304 Q N 0.839 120.545 119.800 -0.157 0.000 2.084 304 Q HA -0.223 4.117 4.340 -0.000 0.000 0.202 304 Q C 1.602 177.459 176.000 -0.238 0.000 0.978 304 Q CA 2.010 57.708 55.803 -0.174 0.000 0.844 304 Q CB -0.019 28.615 28.738 -0.173 0.000 0.898 304 Q HN 0.212 nan 8.270 nan 0.000 0.426 305 D N -0.435 119.715 120.400 -0.418 0.000 2.144 305 D HA -0.177 4.463 4.640 -0.000 0.000 0.200 305 D C 1.960 178.149 176.300 -0.185 0.000 0.978 305 D CA 1.099 54.869 54.000 -0.384 0.000 0.833 305 D CB -0.018 40.407 40.800 -0.625 0.000 0.961 305 D HN 0.159 nan 8.370 nan 0.000 0.470 306 R N -0.023 120.392 120.500 -0.142 0.000 2.091 306 R HA -0.135 4.204 4.340 -0.000 0.000 0.238 306 R C 2.073 178.334 176.300 -0.065 0.000 1.136 306 R CA 1.530 57.586 56.100 -0.073 0.000 0.959 306 R CB -0.311 29.964 30.300 -0.042 0.000 0.856 306 R HN 0.184 nan 8.270 nan 0.000 0.437 307 A N 1.704 124.480 122.820 -0.073 0.000 1.930 307 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 307 A C 1.911 179.462 177.584 -0.056 0.000 1.175 307 A CA 1.645 53.648 52.037 -0.056 0.000 0.627 307 A CB -0.470 18.499 19.000 -0.052 0.000 0.815 307 A HN 0.730 nan 8.150 nan 0.000 0.443 308 E N -0.086 120.071 120.200 -0.071 0.000 2.285 308 E HA -0.117 4.233 4.350 -0.000 0.000 0.194 308 E C 1.708 178.277 176.600 -0.053 0.000 0.997 308 E CA 1.012 57.376 56.400 -0.059 0.000 0.845 308 E CB -0.226 29.438 29.700 -0.060 0.000 0.782 308 E HN 0.570 nan 8.360 nan 0.000 0.491 309 K N 1.031 121.396 120.400 -0.057 0.000 2.057 309 K HA -0.040 4.279 4.320 -0.000 0.000 0.206 309 K C 2.313 178.886 176.600 -0.045 0.000 1.050 309 K CA 1.189 57.446 56.287 -0.050 0.000 0.935 309 K CB -0.019 32.452 32.500 -0.049 0.000 0.715 309 K HN 0.006 nan 8.250 nan 0.000 0.439 310 R N 0.811 121.286 120.500 -0.041 0.000 2.083 310 R HA -0.179 4.161 4.340 -0.000 0.000 0.237 310 R C 2.423 178.703 176.300 -0.033 0.000 1.137 310 R CA 1.786 57.865 56.100 -0.035 0.000 0.951 310 R CB -0.195 30.088 30.300 -0.030 0.000 0.851 310 R HN 0.286 nan 8.270 nan 0.000 0.434 311 Q N 0.031 119.811 119.800 -0.034 0.000 2.084 311 Q HA -0.223 4.117 4.340 -0.000 0.000 0.202 311 Q C 2.128 178.109 176.000 -0.031 0.000 0.978 311 Q CA 1.591 57.376 55.803 -0.030 0.000 0.844 311 Q CB -0.075 28.645 28.738 -0.030 0.000 0.898 311 Q HN 0.432 nan 8.270 nan 0.000 0.426 312 E N 0.249 120.428 120.200 -0.036 0.000 2.023 312 E HA -0.214 4.136 4.350 -0.000 0.000 0.196 312 E C 1.781 178.358 176.600 -0.038 0.000 1.003 312 E CA 1.789 58.167 56.400 -0.037 0.000 0.809 312 E CB -0.003 29.672 29.700 -0.041 0.000 0.755 312 E HN 0.217 nan 8.360 nan 0.000 0.449 313 T N 1.371 115.899 114.554 -0.042 0.000 2.649 313 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 313 T C 1.644 176.323 174.700 -0.034 0.000 1.036 313 T CA 1.733 63.807 62.100 -0.044 0.000 1.157 313 T CB -0.275 68.564 68.868 -0.047 0.000 0.861 313 T HN 0.226 nan 8.240 nan 0.000 0.445 314 E N 0.447 120.630 120.200 -0.029 0.000 2.106 314 E HA -0.060 4.289 4.350 -0.000 0.000 0.192 314 E C 2.296 178.884 176.600 -0.021 0.000 0.984 314 E CA 0.728 57.115 56.400 -0.021 0.000 0.806 314 E CB -0.271 29.418 29.700 -0.019 0.000 0.750 314 E HN 0.460 nan 8.360 nan 0.000 0.458 315 R N 0.772 121.257 120.500 -0.025 0.000 2.070 315 R HA -0.084 4.256 4.340 -0.000 0.000 0.233 315 R C 2.557 178.840 176.300 -0.029 0.000 1.137 315 R CA 1.089 57.173 56.100 -0.026 0.000 0.945 315 R CB -0.366 29.917 30.300 -0.028 0.000 0.845 315 R HN 0.108 nan 8.270 nan 0.000 0.430 316 L N 0.412 121.617 121.223 -0.031 0.000 2.081 316 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 316 L C 2.473 179.329 176.870 -0.023 0.000 1.080 316 L CA 1.352 56.173 54.840 -0.032 0.000 0.754 316 L CB -0.384 41.655 42.059 -0.033 0.000 0.893 316 L HN 0.340 nan 8.230 nan 0.000 0.433 317 I N -1.235 119.328 120.570 -0.010 0.000 2.162 317 I HA -0.252 3.917 4.170 -0.000 0.000 0.238 317 I C 2.508 178.622 176.117 -0.005 0.000 1.076 317 I CA 0.930 62.236 61.300 0.011 0.000 1.353 317 I CB -0.232 37.775 38.000 0.011 0.000 1.063 317 I HN -0.064 nan 8.210 nan 0.000 0.408 318 V N 0.733 120.639 119.914 -0.013 0.000 2.313 318 V HA -0.368 3.752 4.120 -0.000 0.000 0.253 318 V C 2.087 178.161 176.094 -0.033 0.000 1.070 318 V CA 2.114 64.404 62.300 -0.018 0.000 1.057 318 V CB -0.655 31.157 31.823 -0.018 0.000 0.653 318 V HN 0.540 nan 8.190 nan 0.000 0.450 319 Q N -0.955 118.817 119.800 -0.047 0.000 2.403 319 Q HA 0.082 4.422 4.340 -0.000 0.000 0.203 319 Q C 0.312 176.240 176.000 -0.120 0.000 0.932 319 Q CA -0.078 55.685 55.803 -0.067 0.000 0.945 319 Q CB 0.197 28.901 28.738 -0.057 0.000 1.045 319 Q HN 0.666 nan 8.270 nan 0.000 0.511 320 Q N -0.025 119.687 119.800 -0.146 0.000 2.457 320 Q HA -0.225 4.115 4.340 -0.000 0.000 0.283 320 Q C -0.682 175.035 176.000 -0.472 0.000 1.234 320 Q CA 0.793 56.378 55.803 -0.362 0.000 0.877 320 Q CB -1.493 27.007 28.738 -0.395 0.000 1.250 320 Q HN 0.419 nan 8.270 nan 0.000 0.481 321 R N -0.491 119.886 120.500 -0.205 0.000 2.643 321 R HA 0.671 5.011 4.340 -0.000 0.000 0.272 321 R C 0.807 177.095 176.300 -0.020 0.000 0.995 321 R CA 0.143 56.171 56.100 -0.121 0.000 1.032 321 R CB 1.067 31.323 30.300 -0.072 0.000 1.126 321 R HN 0.196 nan 8.270 nan 0.000 0.505 322 G N 0.034 108.844 108.800 0.016 0.000 2.671 322 G HA2 0.438 4.398 3.960 -0.000 0.000 0.275 322 G HA3 0.438 4.398 3.960 -0.000 0.000 0.275 322 G C -0.259 174.631 174.900 -0.016 0.000 1.368 322 G CA -0.626 44.489 45.100 0.025 0.000 1.044 322 G HN 0.455 nan 8.290 nan 0.000 0.543 323 V N -1.917 117.976 119.914 -0.034 0.000 3.133 323 V HA 0.668 4.788 4.120 -0.000 0.000 0.305 323 V C 0.950 177.032 176.094 -0.021 0.000 1.084 323 V CA -0.524 61.752 62.300 -0.040 0.000 1.089 323 V CB 0.478 32.267 31.823 -0.057 0.000 1.073 323 V HN 1.291 nan 8.190 nan 0.000 0.477 324 A N 1.503 124.309 122.820 -0.024 0.000 2.540 324 A HA 0.199 4.519 4.320 -0.000 0.000 0.239 324 A C 0.526 178.109 177.584 -0.003 0.000 1.061 324 A CA -0.121 51.907 52.037 -0.014 0.000 0.758 324 A CB -0.494 18.494 19.000 -0.020 0.000 0.991 324 A HN 0.949 nan 8.150 nan 0.000 0.502 325 E N 1.407 121.612 120.200 0.008 0.000 1.892 325 E HA 0.218 4.568 4.350 -0.000 0.000 0.271 325 E C -0.387 176.221 176.600 0.013 0.000 1.146 325 E CA 0.113 56.524 56.400 0.020 0.000 1.096 325 E CB 0.055 29.773 29.700 0.030 0.000 1.155 325 E HN 0.477 nan 8.360 nan 0.000 0.458 326 K N 1.015 121.419 120.400 0.006 0.000 2.535 326 K HA 0.428 4.748 4.320 -0.000 0.000 0.251 326 K C -1.024 175.573 176.600 -0.004 0.000 0.942 326 K CA -0.711 55.576 56.287 -0.001 0.000 0.798 326 K CB 1.645 34.139 32.500 -0.010 0.000 1.267 326 K HN 0.318 nan 8.250 nan 0.000 0.434 327 A N 1.782 124.601 122.820 -0.003 0.000 2.565 327 A HA 0.041 4.361 4.320 -0.000 0.000 0.237 327 A C 1.008 178.583 177.584 -0.015 0.000 1.053 327 A CA 0.771 52.805 52.037 -0.005 0.000 0.755 327 A CB 0.084 19.078 19.000 -0.010 0.000 0.980 327 A HN 0.889 nan 8.150 nan 0.000 0.506 328 S N 1.873 117.568 115.700 -0.009 0.000 2.501 328 S HA 0.358 4.828 4.470 -0.000 0.000 0.220 328 S C 1.450 176.036 174.600 -0.023 0.000 0.997 328 S CA 0.950 59.137 58.200 -0.022 0.000 0.919 328 S CB -0.104 63.090 63.200 -0.009 0.000 0.778 328 S HN 2.599 nan 8.310 nan 0.000 0.523 329 G N 0.672 109.461 108.800 -0.019 0.000 2.176 329 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.253 329 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.253 329 G C -0.100 174.805 174.900 0.009 0.000 0.979 329 G CA 0.224 45.298 45.100 -0.043 0.000 0.641 329 G HN 0.513 nan 8.290 nan 0.000 0.530 330 E N 0.107 120.376 120.200 0.114 0.000 2.312 330 E HA 0.456 4.806 4.350 -0.000 0.000 0.259 330 E C 0.785 177.502 176.600 0.195 0.000 1.122 330 E CA -0.485 56.093 56.400 0.297 0.000 0.922 330 E CB 0.536 30.464 29.700 0.379 0.000 1.109 330 E HN 0.327 nan 8.360 nan 0.000 0.442 331 E N 0.126 120.511 120.200 0.308 0.000 2.538 331 E HA 0.121 4.471 4.350 -0.000 0.000 0.207 331 E C 1.439 178.149 176.600 0.183 0.000 1.002 331 E CA -0.010 56.502 56.400 0.186 0.000 0.952 331 E CB 0.724 30.558 29.700 0.224 0.000 1.031 331 E HN 0.676 nan 8.360 nan 0.000 0.476 332 G N 1.455 110.410 108.800 0.258 0.000 2.491 332 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.218 332 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.218 332 G C 1.660 176.638 174.900 0.130 0.000 1.180 332 G CA 0.888 46.134 45.100 0.244 0.000 0.774 332 G HN 0.175 nan 8.290 nan 0.000 0.562 333 V N 1.303 121.281 119.914 0.106 0.000 2.427 333 V HA -0.156 3.964 4.120 -0.000 0.000 0.248 333 V C 2.674 178.797 176.094 0.049 0.000 1.051 333 V CA 1.731 64.067 62.300 0.060 0.000 1.048 333 V CB -0.478 31.372 31.823 0.045 0.000 0.666 333 V HN 0.294 nan 8.190 nan 0.000 0.456 334 N N 0.338 119.066 118.700 0.046 0.000 2.104 334 N HA -0.117 4.623 4.740 -0.000 0.000 0.190 334 N C 1.738 177.246 175.510 -0.004 0.000 1.024 334 N CA 1.626 54.689 53.050 0.021 0.000 0.853 334 N CB -0.322 38.174 38.487 0.015 0.000 1.008 334 N HN 0.435 nan 8.380 nan 0.000 0.424 335 I N 0.807 121.376 120.570 -0.002 0.000 2.202 335 I HA -0.205 3.965 4.170 -0.000 0.000 0.242 335 I C 2.018 178.085 176.117 -0.083 0.000 1.091 335 I CA 0.763 62.028 61.300 -0.058 0.000 1.368 335 I CB -0.170 37.800 38.000 -0.051 0.000 1.058 335 I HN 0.044 nan 8.210 nan 0.000 0.410 336 I N 0.759 121.313 120.570 -0.027 0.000 2.163 336 I HA -0.333 3.837 4.170 -0.000 0.000 0.243 336 I C 2.802 178.916 176.117 -0.005 0.000 1.085 336 I CA 1.488 62.782 61.300 -0.009 0.000 1.347 336 I CB -0.537 37.485 38.000 0.037 0.000 1.044 336 I HN 0.208 nan 8.210 nan 0.000 0.408 337 A N 0.766 123.593 122.820 0.011 0.000 1.877 337 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 337 A C 2.574 180.138 177.584 -0.034 0.000 1.186 337 A CA 1.976 54.022 52.037 0.016 0.000 0.620 337 A CB -0.965 18.053 19.000 0.030 0.000 0.822 337 A HN 0.438 nan 8.150 nan 0.000 0.443 338 A N -0.202 122.575 122.820 -0.073 0.000 1.892 338 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 338 A C 2.153 179.631 177.584 -0.177 0.000 1.188 338 A CA 1.679 53.637 52.037 -0.132 0.000 0.631 338 A CB -0.763 18.134 19.000 -0.171 0.000 0.822 338 A HN 0.491 nan 8.150 nan 0.000 0.447 339 L N -0.827 120.268 121.223 -0.213 0.000 2.261 339 L HA -0.129 4.211 4.340 -0.000 0.000 0.216 339 L C 1.955 178.752 176.870 -0.121 0.000 1.114 339 L CA 0.739 55.413 54.840 -0.276 0.000 0.777 339 L CB -0.312 41.518 42.059 -0.381 0.000 0.910 339 L HN 0.382 nan 8.230 nan 0.000 0.440 340 L N -1.004 120.186 121.223 -0.055 0.000 2.592 340 L HA 0.197 4.537 4.340 -0.000 0.000 0.227 340 L C 1.344 178.208 176.870 -0.009 0.000 1.127 340 L CA 0.512 55.352 54.840 0.000 0.000 0.884 340 L CB -0.096 41.985 42.059 0.036 0.000 1.065 340 L HN 0.418 nan 8.230 nan 0.000 0.457 341 G N 0.320 109.096 108.800 -0.040 0.000 2.131 341 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.223 341 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.223 341 G C 0.475 175.362 174.900 -0.021 0.000 0.990 341 G CA -0.089 44.990 45.100 -0.035 0.000 0.671 341 G HN 0.282 nan 8.290 nan 0.000 0.521 342 L N 0.188 121.400 121.223 -0.019 0.000 2.628 342 L HA 0.541 4.881 4.340 -0.000 0.000 0.229 342 L C 1.197 178.063 176.870 -0.007 0.000 1.137 342 L CA 0.498 55.336 54.840 -0.003 0.000 0.909 342 L CB 0.243 42.310 42.059 0.014 0.000 1.137 342 L HN 0.775 nan 8.230 nan 0.000 0.470 343 G N 0.946 109.731 108.800 -0.025 0.000 1.980 343 G HA2 0.023 3.983 3.960 -0.000 0.000 0.198 343 G HA3 0.023 3.983 3.960 -0.000 0.000 0.198 343 G C -0.724 174.146 174.900 -0.050 0.000 1.587 343 G CA -0.853 44.235 45.100 -0.020 0.000 0.975 343 G HN 0.173 nan 8.290 nan 0.000 0.682 344 E N 1.034 121.205 120.200 -0.047 0.000 2.409 344 E HA 0.656 5.005 4.350 -0.000 0.000 0.257 344 E C -0.720 175.851 176.600 -0.049 0.000 1.150 344 E CA -0.569 55.763 56.400 -0.112 0.000 0.942 344 E CB 2.028 31.677 29.700 -0.084 0.000 0.979 344 E HN 0.929 nan 8.360 nan 0.000 0.447 345 L N 1.327 122.491 121.223 -0.098 0.000 2.513 345 L HA 0.348 4.688 4.340 -0.000 0.000 0.261 345 L C -1.825 175.072 176.870 0.045 0.000 0.945 345 L CA -0.750 54.080 54.840 -0.015 0.000 0.848 345 L CB 2.396 44.424 42.059 -0.052 0.000 1.334 345 L HN 0.481 nan 8.230 nan 0.000 0.407 346 V N 3.810 123.789 119.914 0.109 0.000 2.334 346 V HA 0.799 4.918 4.120 -0.000 0.000 0.281 346 V C -0.045 176.100 176.094 0.086 0.000 1.016 346 V CA -0.097 62.280 62.300 0.128 0.000 0.832 346 V CB 1.281 33.191 31.823 0.145 0.000 0.999 346 V HN 0.913 nan 8.190 nan 0.000 0.439 347 T N 3.753 118.353 114.554 0.076 0.000 2.843 347 T HA 0.380 4.730 4.350 -0.000 0.000 0.302 347 T C -1.085 173.664 174.700 0.082 0.000 1.232 347 T CA -0.812 61.350 62.100 0.104 0.000 1.009 347 T CB 1.624 70.570 68.868 0.129 0.000 1.254 347 T HN 0.771 nan 8.240 nan 0.000 0.504 348 N N 2.011 120.770 118.700 0.098 0.000 2.488 348 N HA 0.459 5.198 4.740 -0.000 0.000 0.274 348 N C -0.248 175.254 175.510 -0.014 0.000 1.111 348 N CA -0.336 52.729 53.050 0.025 0.000 0.974 348 N CB 1.321 39.804 38.487 -0.006 0.000 1.089 348 N HN 0.607 nan 8.380 nan 0.000 0.465 349 V N -0.974 118.918 119.914 -0.037 0.000 3.159 349 V HA 0.594 4.714 4.120 -0.000 0.000 0.308 349 V C -0.541 175.511 176.094 -0.071 0.000 1.190 349 V CA -1.197 61.065 62.300 -0.064 0.000 1.037 349 V CB 1.889 33.680 31.823 -0.053 0.000 1.060 349 V HN 0.695 nan 8.190 nan 0.000 0.437 353 N N 1.919 120.541 118.700 -0.130 0.000 2.442 353 N HA 0.156 4.896 4.740 -0.000 0.000 0.265 353 N C -0.004 175.462 175.510 -0.075 0.000 1.138 353 N CA 0.260 53.260 53.050 -0.083 0.000 0.956 353 N CB 0.575 39.026 38.487 -0.060 0.000 1.067 353 N HN 0.193 nan 8.380 nan 0.000 0.474 354 Q N 2.471 122.237 119.800 -0.058 0.000 2.141 354 Q HA 0.276 4.616 4.340 -0.000 0.000 0.248 354 Q C 0.444 176.426 176.000 -0.030 0.000 0.834 354 Q CA 0.031 55.808 55.803 -0.044 0.000 1.096 354 Q CB 0.712 29.426 28.738 -0.039 0.000 1.189 354 Q HN 0.919 nan 8.270 nan 0.000 0.471 355 G N 1.433 110.215 108.800 -0.030 0.000 2.260 355 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.179 355 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.179 355 G C 0.910 175.796 174.900 -0.022 0.000 1.002 355 G CA 0.268 45.353 45.100 -0.024 0.000 0.677 355 G HN 0.324 nan 8.290 nan 0.000 0.486 356 Q N 0.392 120.178 119.800 -0.024 0.000 2.369 356 Q HA 0.209 4.549 4.340 -0.000 0.000 0.206 356 Q C 0.494 176.481 176.000 -0.022 0.000 0.963 356 Q CA 1.296 57.087 55.803 -0.020 0.000 0.894 356 Q CB 0.224 28.952 28.738 -0.017 0.000 0.965 356 Q HN 0.647 nan 8.270 nan 0.000 0.475 357 V N 2.370 122.269 119.914 -0.026 0.000 2.483 357 V HA 0.321 4.441 4.120 -0.000 0.000 0.297 357 V C 0.066 176.143 176.094 -0.029 0.000 1.027 357 V CA -0.792 61.491 62.300 -0.028 0.000 0.855 357 V CB 1.786 33.593 31.823 -0.027 0.000 0.995 357 V HN 0.182 nan 8.190 nan 0.000 0.424 358 L N 4.836 126.041 121.223 -0.032 0.000 2.461 358 L HA 0.305 4.645 4.340 -0.000 0.000 0.272 358 L C 1.045 177.895 176.870 -0.033 0.000 1.197 358 L CA -0.006 54.816 54.840 -0.031 0.000 0.836 358 L CB 0.181 42.221 42.059 -0.031 0.000 1.105 358 L HN 0.847 nan 8.230 nan 0.000 0.477 359 N N 0.025 118.708 118.700 -0.029 0.000 2.828 359 N HA -0.182 4.558 4.740 -0.000 0.000 0.248 359 N C -0.912 174.583 175.510 -0.025 0.000 1.044 359 N CA 0.756 53.790 53.050 -0.028 0.000 0.851 359 N CB -1.077 37.391 38.487 -0.033 0.000 1.136 359 N HN 0.203 nan 8.380 nan 0.000 0.572 360 L N 0.595 121.804 121.223 -0.023 0.000 2.334 360 L HA 0.579 4.919 4.340 -0.000 0.000 0.273 360 L C -1.753 175.107 176.870 -0.018 0.000 1.013 360 L CA -2.050 52.781 54.840 -0.016 0.000 0.816 360 L CB 0.571 42.623 42.059 -0.012 0.000 1.278 360 L HN -0.208 nan 8.230 nan 0.000 0.431 361 P HA 0.114 nan 4.420 nan 0.000 0.265 361 P C -0.356 176.928 177.300 -0.027 0.000 1.187 361 P CA -0.055 63.034 63.100 -0.018 0.000 0.766 361 P CB 0.250 31.942 31.700 -0.013 0.000 0.820 362 I N 0.023 120.575 120.570 -0.029 0.000 2.638 362 I HA 0.057 4.226 4.170 -0.000 0.000 0.286 362 I C 0.611 176.698 176.117 -0.051 0.000 1.088 362 I CA -0.083 61.193 61.300 -0.040 0.000 1.397 362 I CB 0.530 38.509 38.000 -0.035 0.000 1.414 362 I HN 0.369 nan 8.210 nan 0.000 0.566 363 Q N 1.929 121.682 119.800 -0.078 0.000 2.559 363 Q HA -0.206 4.134 4.340 -0.000 0.000 0.151 363 Q C 0.482 176.416 176.000 -0.110 0.000 0.725 363 Q CA 1.451 57.190 55.803 -0.107 0.000 1.230 363 Q CB -2.030 26.666 28.738 -0.070 0.000 1.099 363 Q HN 1.041 nan 8.270 nan 0.000 1.047 364 A N 1.901 124.677 122.820 -0.073 0.000 2.462 364 A HA 0.369 4.689 4.320 -0.000 0.000 0.243 364 A C 0.666 178.202 177.584 -0.080 0.000 1.076 364 A CA -0.116 51.887 52.037 -0.056 0.000 0.773 364 A CB 0.143 19.127 19.000 -0.027 0.000 1.010 364 A HN 0.211 nan 8.150 nan 0.000 0.493 365 I N 3.568 124.094 120.570 -0.073 0.000 2.421 365 I HA 0.179 4.349 4.170 -0.000 0.000 0.291 365 I C 0.432 176.514 176.117 -0.059 0.000 1.089 365 I CA 0.535 61.783 61.300 -0.086 0.000 1.354 365 I CB -0.408 37.547 38.000 -0.074 0.000 1.413 365 I HN 0.454 nan 8.210 nan 0.000 0.513 366 V N 3.449 123.324 119.914 -0.065 0.000 2.864 366 V HA 0.609 4.729 4.120 -0.000 0.000 0.314 366 V C -0.308 175.754 176.094 -0.055 0.000 1.073 366 V CA -0.959 61.314 62.300 -0.045 0.000 0.956 366 V CB 2.311 34.112 31.823 -0.035 0.000 1.023 366 V HN 0.739 nan 8.190 nan 0.000 0.435 367 E N 2.045 122.214 120.200 -0.050 0.000 2.134 367 E HA 0.684 5.034 4.350 -0.000 0.000 0.278 367 E C -0.302 176.272 176.600 -0.043 0.000 0.959 367 E CA -0.110 56.254 56.400 -0.061 0.000 0.783 367 E CB 1.349 30.998 29.700 -0.085 0.000 1.095 367 E HN 1.176 nan 8.360 nan 0.000 0.399 368 T N 1.107 115.640 114.554 -0.035 0.000 2.787 368 T HA 0.364 4.714 4.350 -0.000 0.000 0.297 368 T C -0.322 174.375 174.700 -0.006 0.000 1.221 368 T CA -1.143 60.946 62.100 -0.018 0.000 1.006 368 T CB 0.805 69.665 68.868 -0.013 0.000 1.328 368 T HN 0.280 nan 8.240 nan 0.000 0.509 369 N N 0.690 119.396 118.700 0.010 0.000 2.441 369 N HA 0.569 5.309 4.740 -0.000 0.000 0.251 369 N C -0.353 175.176 175.510 0.033 0.000 1.242 369 N CA 0.169 53.236 53.050 0.029 0.000 0.898 369 N CB 0.971 39.481 38.487 0.039 0.000 1.100 369 N HN 1.035 nan 8.380 nan 0.000 0.443 370 A N 0.992 123.840 122.820 0.048 0.000 2.556 370 A HA 0.552 4.872 4.320 -0.000 0.000 0.294 370 A C -1.376 176.280 177.584 0.120 0.000 1.091 370 A CA -0.689 51.386 52.037 0.064 0.000 0.704 370 A CB 1.016 20.027 19.000 0.019 0.000 1.300 370 A HN 0.471 nan 8.150 nan 0.000 0.406 371 F N 1.848 121.778 119.950 -0.032 0.000 2.411 371 F HA 0.700 5.226 4.527 -0.000 0.000 0.350 371 F C -0.536 175.226 175.800 -0.065 0.000 1.114 371 F CA -1.134 56.844 58.000 -0.037 0.000 1.135 371 F CB 0.504 39.489 39.000 -0.025 0.000 1.120 371 F HN 0.359 nan 8.300 nan 0.000 0.495 372 I N 6.305 126.554 120.570 -0.534 0.000 2.418 372 I HA 0.392 4.562 4.170 -0.000 0.000 0.287 372 I C -0.030 175.657 176.117 -0.718 0.000 1.008 372 I CA -0.290 60.691 61.300 -0.531 0.000 1.104 372 I CB 1.868 39.666 38.000 -0.336 0.000 1.264 372 I HN 0.628 nan 8.210 nan 0.000 0.438 373 T N 4.397 118.576 114.554 -0.625 0.000 2.618 373 T HA 0.325 4.675 4.350 -0.000 0.000 0.293 373 T C -0.683 173.849 174.700 -0.280 0.000 1.093 373 T CA -0.730 61.091 62.100 -0.465 0.000 1.061 373 T CB 1.551 70.105 68.868 -0.524 0.000 1.498 373 T HN 0.587 nan 8.240 nan 0.000 0.494 374 R N 1.854 122.258 120.500 -0.159 0.000 2.488 374 R HA -0.024 4.316 4.340 -0.000 0.000 0.317 374 R C 0.283 176.557 176.300 -0.044 0.000 0.941 374 R CA 1.009 57.059 56.100 -0.083 0.000 1.076 374 R CB -0.583 29.702 30.300 -0.025 0.000 0.917 374 R HN 0.760 nan 8.270 nan 0.000 0.407 375 N N 2.330 121.013 118.700 -0.027 0.000 2.714 375 N HA -0.236 4.504 4.740 -0.000 0.000 0.250 375 N C -1.425 174.221 175.510 0.226 0.000 1.117 375 N CA 1.392 54.562 53.050 0.201 0.000 0.719 375 N CB -0.363 38.271 38.487 0.244 0.000 1.081 375 N HN 0.657 nan 8.380 nan 0.000 0.557 376 R N -0.758 119.677 120.500 -0.108 0.000 2.515 376 R HA 0.571 4.911 4.340 -0.000 0.000 0.291 376 R C -1.365 174.753 176.300 -0.304 0.000 1.046 376 R CA -0.652 55.414 56.100 -0.056 0.000 0.914 376 R CB 1.766 32.044 30.300 -0.036 0.000 1.191 376 R HN -0.016 nan 8.270 nan 0.000 0.435 377 V N 4.008 123.792 119.914 -0.217 0.000 2.378 377 V HA 0.391 4.511 4.120 -0.000 0.000 0.288 377 V C -0.567 175.537 176.094 0.016 0.000 1.016 377 V CA -0.660 61.519 62.300 -0.203 0.000 0.840 377 V CB 1.661 33.311 31.823 -0.288 0.000 0.994 377 V HN 0.702 nan 8.190 nan 0.000 0.431 378 Q N 5.884 125.704 119.800 0.033 0.000 2.347 378 Q HA 0.380 4.720 4.340 -0.000 0.000 0.265 378 Q C -2.716 173.336 176.000 0.087 0.000 1.024 378 Q CA -1.836 54.023 55.803 0.094 0.000 0.731 378 Q CB 2.796 31.629 28.738 0.159 0.000 1.245 378 Q HN 0.467 nan 8.270 nan 0.000 0.472 379 P HA 0.019 nan 4.420 nan 0.000 0.268 379 P C -0.631 176.691 177.300 0.037 0.000 1.208 379 P CA 0.272 63.392 63.100 0.034 0.000 0.777 379 P CB 0.722 32.428 31.700 0.009 0.000 0.875 380 I N 2.404 122.991 120.570 0.029 0.000 2.359 380 I HA 0.183 4.353 4.170 -0.000 0.000 0.294 380 I C 0.344 176.462 176.117 0.002 0.000 0.987 380 I CA -0.774 60.536 61.300 0.016 0.000 1.225 380 I CB 0.715 38.727 38.000 0.020 0.000 1.366 380 I HN 0.090 nan 8.210 nan 0.000 0.466 381 L N 6.002 127.222 121.223 -0.005 0.000 2.534 381 L HA 0.052 4.392 4.340 -0.000 0.000 0.271 381 L C 0.817 177.681 176.870 -0.010 0.000 1.178 381 L CA 0.430 55.264 54.840 -0.010 0.000 0.907 381 L CB 0.258 42.309 42.059 -0.012 0.000 1.164 381 L HN 0.720 nan 8.230 nan 0.000 0.482 382 S N 1.505 117.198 115.700 -0.012 0.000 2.603 382 S HA 0.349 4.818 4.470 -0.000 0.000 0.232 382 S C 0.821 175.412 174.600 -0.015 0.000 1.016 382 S CA 0.211 58.405 58.200 -0.010 0.000 0.976 382 S CB 0.950 64.145 63.200 -0.008 0.000 0.921 382 S HN 1.080 nan 8.310 nan 0.000 0.516 383 G N 1.932 110.720 108.800 -0.019 0.000 2.512 383 G HA2 0.102 4.062 3.960 -0.000 0.000 0.240 383 G HA3 0.102 4.062 3.960 -0.000 0.000 0.240 383 G C -0.277 174.603 174.900 -0.033 0.000 1.246 383 G CA -0.476 44.610 45.100 -0.023 0.000 0.919 383 G HN 0.982 nan 8.290 nan 0.000 0.577 384 A N -0.879 121.917 122.820 -0.040 0.000 2.337 384 A HA 0.852 5.172 4.320 -0.000 0.000 0.331 384 A C 0.191 177.725 177.584 -0.083 0.000 1.137 384 A CA -0.392 51.611 52.037 -0.058 0.000 0.807 384 A CB 1.172 20.140 19.000 -0.054 0.000 1.250 384 A HN 1.229 nan 8.150 nan 0.000 0.468 385 L N 1.453 122.601 121.223 -0.126 0.000 2.456 385 L HA 0.351 4.691 4.340 -0.000 0.000 0.257 385 L C -1.874 174.864 176.870 -0.221 0.000 1.162 385 L CA -1.743 52.966 54.840 -0.218 0.000 0.808 385 L CB 0.375 42.243 42.059 -0.319 0.000 1.136 385 L HN 0.455 nan 8.230 nan 0.000 0.466 386 P HA -0.009 nan 4.420 nan 0.000 0.267 386 P C -0.100 177.075 177.300 -0.208 0.000 1.200 386 P CA -0.246 62.724 63.100 -0.217 0.000 0.772 386 P CB 0.576 32.131 31.700 -0.242 0.000 0.855 387 K N 2.547 122.883 120.400 -0.107 0.000 2.063 387 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 387 K C 2.029 178.584 176.600 -0.075 0.000 1.048 387 K CA 2.375 58.616 56.287 -0.078 0.000 0.928 387 K CB -1.270 31.207 32.500 -0.037 0.000 0.713 387 K HN 0.579 nan 8.250 nan 0.000 0.442 388 G N -0.341 108.447 108.800 -0.021 0.000 2.408 388 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.217 388 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.217 388 G C 1.502 176.295 174.900 -0.180 0.000 1.150 388 G CA 0.922 46.056 45.100 0.056 0.000 0.776 388 G HN 0.213 nan 8.290 nan 0.000 0.542 389 V N 0.509 120.099 119.914 -0.540 0.000 2.548 389 V HA -0.014 4.106 4.120 -0.000 0.000 0.249 389 V C 1.615 177.536 176.094 -0.289 0.000 1.055 389 V CA 1.066 62.943 62.300 -0.705 0.000 1.065 389 V CB -0.288 30.655 31.823 -1.467 0.000 0.681 389 V HN 0.519 nan 8.190 nan 0.000 0.462 393 A N 0.665 123.645 122.820 0.266 0.000 1.902 393 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 393 A C 2.274 179.951 177.584 0.155 0.000 1.181 393 A CA 2.231 54.443 52.037 0.290 0.000 0.623 393 A CB -0.563 18.583 19.000 0.244 0.000 0.818 393 A HN 0.432 nan 8.150 nan 0.000 0.443 394 A N -0.318 122.543 122.820 0.069 0.000 1.902 394 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 394 A C 2.239 179.827 177.584 0.007 0.000 1.181 394 A CA 1.798 53.851 52.037 0.027 0.000 0.623 394 A CB -0.480 18.519 19.000 -0.002 0.000 0.818 394 A HN 0.575 nan 8.150 nan 0.000 0.443 395 R N -1.285 119.195 120.500 -0.033 0.000 2.070 395 R HA -0.165 4.175 4.340 -0.000 0.000 0.233 395 R C 2.182 178.403 176.300 -0.131 0.000 1.137 395 R CA 1.671 57.701 56.100 -0.117 0.000 0.945 395 R CB -0.458 29.720 30.300 -0.203 0.000 0.845 395 R HN 0.669 nan 8.270 nan 0.000 0.430 396 H N 0.321 119.391 119.070 0.001 0.000 2.353 396 H HA -0.122 4.433 4.556 -0.000 0.000 0.300 396 H C 2.270 177.613 175.328 0.025 0.000 1.090 396 H CA 1.840 57.895 56.048 0.012 0.000 1.327 396 H CB -0.195 29.616 29.762 0.082 0.000 1.383 396 H HN 0.284 nan 8.280 nan 0.000 0.508 397 I N 0.231 120.892 120.570 0.152 0.000 2.163 397 I HA -0.279 3.890 4.170 -0.000 0.000 0.243 397 I C 2.669 178.812 176.117 0.043 0.000 1.085 397 I CA 0.844 62.196 61.300 0.086 0.000 1.347 397 I CB -0.336 37.701 38.000 0.062 0.000 1.044 397 I HN 0.076 nan 8.210 nan 0.000 0.408 398 S N 0.939 116.650 115.700 0.019 0.000 2.390 398 S HA -0.258 4.212 4.470 -0.000 0.000 0.234 398 S C 1.768 176.369 174.600 0.001 0.000 1.063 398 S CA 2.120 60.318 58.200 -0.004 0.000 1.108 398 S CB -0.426 62.755 63.200 -0.031 0.000 0.975 398 S HN 0.453 nan 8.310 nan 0.000 0.442 399 N N 0.883 119.584 118.700 0.002 0.000 2.142 399 N HA -0.065 4.675 4.740 -0.000 0.000 0.186 399 N C 1.873 177.405 175.510 0.036 0.000 1.023 399 N CA 0.985 54.041 53.050 0.010 0.000 0.852 399 N CB -0.498 37.990 38.487 0.002 0.000 0.998 399 N HN 0.555 nan 8.380 nan 0.000 0.424 400 Q N 0.593 120.422 119.800 0.049 0.000 2.084 400 Q HA -0.068 4.272 4.340 -0.000 0.000 0.202 400 Q C 1.661 177.681 176.000 0.033 0.000 0.978 400 Q CA 0.897 56.727 55.803 0.045 0.000 0.844 400 Q CB 0.028 28.796 28.738 0.050 0.000 0.898 400 Q HN 0.343 nan 8.270 nan 0.000 0.426 401 E N 0.586 120.803 120.200 0.027 0.000 2.077 401 E HA -0.180 4.169 4.350 -0.000 0.000 0.193 401 E C 2.006 178.622 176.600 0.027 0.000 0.989 401 E CA 1.217 57.630 56.400 0.021 0.000 0.800 401 E CB -0.239 29.469 29.700 0.013 0.000 0.746 401 E HN 0.360 nan 8.360 nan 0.000 0.452 402 A N 1.059 123.895 122.820 0.026 0.000 1.933 402 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 402 A C 2.613 180.228 177.584 0.051 0.000 1.175 402 A CA 1.370 53.426 52.037 0.031 0.000 0.628 402 A CB -0.597 18.415 19.000 0.020 0.000 0.814 402 A HN 0.130 nan 8.150 nan 0.000 0.444 403 V N -0.285 119.665 119.914 0.060 0.000 2.358 403 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 403 V C 3.050 179.185 176.094 0.068 0.000 1.047 403 V CA 1.824 64.172 62.300 0.080 0.000 1.035 403 V CB -1.182 30.692 31.823 0.085 0.000 0.658 403 V HN 0.618 nan 8.190 nan 0.000 0.452 404 A N -0.051 122.799 122.820 0.051 0.000 1.877 404 A HA -0.264 4.056 4.320 -0.000 0.000 0.216 404 A C 2.037 179.653 177.584 0.053 0.000 1.186 404 A CA 2.096 54.161 52.037 0.047 0.000 0.620 404 A CB -0.686 18.335 19.000 0.035 0.000 0.822 404 A HN 0.536 nan 8.150 nan 0.000 0.443 405 D N 0.053 120.481 120.400 0.047 0.000 2.104 405 D HA -0.098 4.542 4.640 -0.000 0.000 0.194 405 D C 2.291 178.623 176.300 0.054 0.000 0.994 405 D CA 1.656 55.684 54.000 0.046 0.000 0.830 405 D CB -0.545 40.278 40.800 0.037 0.000 0.959 405 D HN 0.414 nan 8.370 nan 0.000 0.452 406 A N 0.879 123.737 122.820 0.063 0.000 1.908 406 A HA -0.096 4.223 4.320 -0.000 0.000 0.218 406 A C 2.391 180.021 177.584 0.077 0.000 1.181 406 A CA 2.290 54.372 52.037 0.076 0.000 0.627 406 A CB -1.097 17.963 19.000 0.100 0.000 0.818 406 A HN 0.325 nan 8.150 nan 0.000 0.445 407 G N -0.635 108.212 108.800 0.078 0.000 2.422 407 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.218 407 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.218 407 G C 1.480 176.420 174.900 0.066 0.000 1.140 407 G CA 0.923 46.069 45.100 0.076 0.000 0.775 407 G HN 0.442 nan 8.290 nan 0.000 0.545 408 L N 0.838 122.098 121.223 0.061 0.000 2.313 408 L HA 0.074 4.414 4.340 -0.000 0.000 0.214 408 L C 2.684 179.581 176.870 0.045 0.000 1.119 408 L CA 1.491 56.364 54.840 0.054 0.000 0.809 408 L CB 0.053 42.144 42.059 0.053 0.000 0.933 408 L HN 0.389 nan 8.230 nan 0.000 0.449 409 T N -5.476 109.105 114.554 0.046 0.000 3.044 409 T HA 0.156 4.505 4.350 -0.000 0.000 0.260 409 T C 0.575 175.299 174.700 0.041 0.000 1.019 409 T CA -0.449 61.675 62.100 0.039 0.000 0.921 409 T CB 0.125 69.015 68.868 0.037 0.000 1.053 409 T HN 0.094 nan 8.240 nan 0.000 0.533 410 K N 1.745 122.174 120.400 0.049 0.000 3.393 410 K HA -0.148 4.172 4.320 -0.000 0.000 0.272 410 K C -1.019 175.614 176.600 0.054 0.000 1.004 410 K CA 0.659 56.976 56.287 0.050 0.000 0.764 410 K CB -1.343 31.180 32.500 0.038 0.000 1.373 410 K HN 0.467 nan 8.250 nan 0.000 0.458 411 D N 0.673 121.113 120.400 0.066 0.000 2.477 411 D HA 0.104 4.744 4.640 -0.000 0.000 0.239 411 D C 1.184 177.546 176.300 0.105 0.000 1.102 411 D CA -0.020 54.022 54.000 0.071 0.000 0.901 411 D CB 0.947 41.782 40.800 0.058 0.000 1.026 411 D HN 0.262 nan 8.370 nan 0.000 0.515 412 T N -0.095 114.533 114.554 0.124 0.000 2.867 412 T HA -0.030 4.320 4.350 -0.000 0.000 0.268 412 T C 1.999 176.818 174.700 0.198 0.000 1.057 412 T CA 1.004 63.234 62.100 0.216 0.000 1.136 412 T CB -0.307 68.694 68.868 0.221 0.000 0.874 412 T HN 0.271 nan 8.240 nan 0.000 0.466 413 G N 1.895 110.769 108.800 0.124 0.000 2.476 413 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.218 413 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.218 413 G C 1.447 176.400 174.900 0.088 0.000 1.164 413 G CA 1.148 46.312 45.100 0.106 0.000 0.768 413 G HN 0.515 nan 8.290 nan 0.000 0.560 414 L N 1.314 122.580 121.223 0.072 0.000 2.083 414 L HA 0.208 4.548 4.340 -0.000 0.000 0.209 414 L C 2.997 179.895 176.870 0.046 0.000 1.083 414 L CA 2.149 57.017 54.840 0.046 0.000 0.752 414 L CB -0.717 41.370 42.059 0.046 0.000 0.899 414 L HN 0.228 nan 8.230 nan 0.000 0.433 415 A N -1.027 121.852 122.820 0.099 0.000 1.972 415 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 415 A C 2.213 179.803 177.584 0.010 0.000 1.169 415 A CA 1.687 53.809 52.037 0.142 0.000 0.635 415 A CB -1.099 18.083 19.000 0.304 0.000 0.810 415 A HN 0.552 nan 8.150 nan 0.000 0.446 416 F N 0.620 120.309 119.950 -0.436 0.000 2.186 416 F HA -0.116 4.411 4.527 -0.000 0.000 0.299 416 F C 2.364 177.993 175.800 -0.285 0.000 1.090 416 F CA 1.628 59.138 58.000 -0.817 0.000 1.307 416 F CB -0.276 38.165 39.000 -0.931 0.000 1.019 416 F HN 0.197 nan 8.300 nan 0.000 0.489 417 Q N 0.722 120.362 119.800 -0.267 0.000 2.061 417 Q HA -0.201 4.139 4.340 -0.000 0.000 0.204 417 Q C 2.565 178.448 176.000 -0.196 0.000 0.984 417 Q CA 1.798 57.445 55.803 -0.261 0.000 0.846 417 Q CB -1.347 27.319 28.738 -0.120 0.000 0.902 417 Q HN 0.502 nan 8.270 nan 0.000 0.421 418 A N 0.378 123.144 122.820 -0.090 0.000 1.883 418 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 418 A C 2.037 179.600 177.584 -0.035 0.000 1.186 418 A CA 1.468 53.482 52.037 -0.039 0.000 0.624 418 A CB -1.033 17.987 19.000 0.032 0.000 0.822 418 A HN 0.360 nan 8.150 nan 0.000 0.444 419 F N 0.407 120.253 119.950 -0.175 0.000 2.065 419 F HA -0.210 4.317 4.527 -0.000 0.000 0.298 419 F C 2.018 177.690 175.800 -0.212 0.000 1.112 419 F CA 2.030 59.950 58.000 -0.133 0.000 1.212 419 F CB -0.177 38.760 39.000 -0.105 0.000 0.975 419 F HN 0.148 nan 8.300 nan 0.000 0.476 420 L N -0.112 120.972 121.223 -0.231 0.000 2.201 420 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 420 L C 1.699 178.430 176.870 -0.231 0.000 1.105 420 L CA 1.252 55.911 54.840 -0.301 0.000 0.775 420 L CB -0.667 41.104 42.059 -0.480 0.000 0.913 420 L HN 0.191 nan 8.230 nan 0.000 0.440 421 N N -0.495 118.082 118.700 -0.205 0.000 2.461 421 N HA -0.091 4.649 4.740 -0.000 0.000 0.188 421 N C 0.351 175.745 175.510 -0.192 0.000 1.134 421 N CA 0.139 53.084 53.050 -0.174 0.000 0.878 421 N CB 0.032 38.431 38.487 -0.146 0.000 0.972 421 N HN 0.164 nan 8.380 nan 0.000 0.456 422 D N 0.043 120.315 120.400 -0.214 0.000 2.351 422 D HA 0.052 4.692 4.640 -0.000 0.000 0.251 422 D C -1.696 174.486 176.300 -0.195 0.000 1.137 422 D CA -1.687 52.184 54.000 -0.216 0.000 0.879 422 D CB 1.603 42.258 40.800 -0.243 0.000 1.181 422 D HN 0.082 nan 8.370 nan 0.000 0.448 423 P HA -0.074 nan 4.420 nan 0.000 0.222 423 P C 1.142 178.393 177.300 -0.081 0.000 1.142 423 P CA 0.873 63.907 63.100 -0.109 0.000 0.788 423 P CB 0.238 31.901 31.700 -0.061 0.000 0.767 424 L N -2.390 118.769 121.223 -0.106 0.000 2.554 424 L HA 0.070 4.410 4.340 -0.000 0.000 0.225 424 L C 0.506 177.307 176.870 -0.116 0.000 1.104 424 L CA 0.130 54.918 54.840 -0.087 0.000 0.866 424 L CB 0.087 42.096 42.059 -0.083 0.000 1.047 424 L HN -0.277 nan 8.230 nan 0.000 0.468 425 V N 1.718 121.521 119.914 -0.184 0.000 2.222 425 V HA 0.095 4.215 4.120 -0.000 0.000 0.253 425 V C 0.320 176.352 176.094 -0.103 0.000 1.210 425 V CA 0.066 62.248 62.300 -0.196 0.000 1.079 425 V CB 0.099 31.686 31.823 -0.392 0.000 1.265 425 V HN 0.334 nan 8.190 nan 0.000 0.494 426 Q N 5.125 124.893 119.800 -0.052 0.000 2.715 426 Q HA 0.472 4.812 4.340 -0.000 0.000 0.399 426 Q C -0.273 175.728 176.000 0.001 0.000 1.017 426 Q CA -0.030 55.757 55.803 -0.026 0.000 1.077 426 Q CB 1.182 29.910 28.738 -0.017 0.000 1.350 426 Q HN 0.897 nan 8.270 nan 0.000 0.421 427 I N -3.871 116.707 120.570 0.015 0.000 3.145 427 I HA 0.541 4.711 4.170 -0.000 0.000 0.313 427 I C -0.652 175.495 176.117 0.049 0.000 1.122 427 I CA -1.327 59.997 61.300 0.040 0.000 0.987 427 I CB 1.908 39.946 38.000 0.064 0.000 1.236 427 I HN -0.192 nan 8.210 nan 0.000 0.453 428 D N 1.826 122.260 120.400 0.056 0.000 2.419 428 D HA 0.052 4.692 4.640 -0.000 0.000 0.236 428 D C 0.911 177.265 176.300 0.090 0.000 1.165 428 D CA 0.110 54.145 54.000 0.059 0.000 0.882 428 D CB 1.016 41.848 40.800 0.054 0.000 1.201 428 D HN 0.578 nan 8.370 nan 0.000 0.443 429 R N 0.746 121.298 120.500 0.088 0.000 2.096 429 R HA -0.161 4.178 4.340 -0.000 0.000 0.235 429 R C 1.987 178.401 176.300 0.191 0.000 1.127 429 R CA 1.705 57.888 56.100 0.138 0.000 0.968 429 R CB -0.019 30.345 30.300 0.107 0.000 0.861 429 R HN 0.536 nan 8.270 nan 0.000 0.440 430 S N -0.031 115.744 115.700 0.125 0.000 2.414 430 S HA -0.074 4.396 4.470 -0.000 0.000 0.227 430 S C 1.299 175.960 174.600 0.102 0.000 1.022 430 S CA 0.978 59.240 58.200 0.103 0.000 0.958 430 S CB -0.032 63.206 63.200 0.064 0.000 0.797 430 S HN 0.266 nan 8.310 nan 0.000 0.493 431 D N 2.756 123.221 120.400 0.109 0.000 2.097 431 D HA 0.026 4.666 4.640 -0.000 0.000 0.195 431 D C 2.308 178.713 176.300 0.175 0.000 0.989 431 D CA 1.554 55.622 54.000 0.113 0.000 0.827 431 D CB -0.760 40.100 40.800 0.099 0.000 0.966 431 D HN 0.548 nan 8.370 nan 0.000 0.456 432 A N 0.872 123.844 122.820 0.253 0.000 1.933 432 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 432 A C 2.127 179.963 177.584 0.421 0.000 1.175 432 A CA 1.912 54.213 52.037 0.440 0.000 0.628 432 A CB -0.613 18.685 19.000 0.497 0.000 0.814 432 A HN 0.299 nan 8.150 nan 0.000 0.444 433 E N -0.919 119.442 120.200 0.269 0.000 2.072 433 E HA -0.278 4.071 4.350 -0.000 0.000 0.191 433 E C 2.167 178.717 176.600 -0.083 0.000 0.985 433 E CA 1.442 57.756 56.400 -0.143 0.000 0.801 433 E CB -0.133 29.430 29.700 -0.228 0.000 0.750 433 E HN 0.580 nan 8.360 nan 0.000 0.452 434 Q N 0.484 120.285 119.800 0.002 0.000 2.084 434 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 434 Q C 2.086 178.088 176.000 0.004 0.000 0.978 434 Q CA 1.338 57.138 55.803 -0.006 0.000 0.844 434 Q CB -0.408 28.341 28.738 0.017 0.000 0.898 434 Q HN 0.390 nan 8.270 nan 0.000 0.426 435 L N -0.243 121.023 121.223 0.072 0.000 2.017 435 L HA -0.065 4.274 4.340 -0.000 0.000 0.208 435 L C 2.084 178.952 176.870 -0.004 0.000 1.073 435 L CA 1.941 56.838 54.840 0.094 0.000 0.745 435 L CB -1.118 41.082 42.059 0.236 0.000 0.894 435 L HN 0.386 nan 8.230 nan 0.000 0.432 436 F N 0.760 120.528 119.950 -0.303 0.000 2.069 436 F HA -0.275 4.252 4.527 -0.000 0.000 0.298 436 F C 2.261 177.845 175.800 -0.359 0.000 1.113 436 F CA 2.124 59.739 58.000 -0.643 0.000 1.214 436 F CB -0.572 37.901 39.000 -0.879 0.000 0.978 436 F HN 0.254 nan 8.300 nan 0.000 0.474 437 N N 0.731 119.248 118.700 -0.305 0.000 2.120 437 N HA -0.126 4.614 4.740 -0.000 0.000 0.188 437 N C 0.448 175.799 175.510 -0.266 0.000 1.024 437 N CA 1.216 54.071 53.050 -0.325 0.000 0.852 437 N CB -0.806 37.581 38.487 -0.167 0.000 1.003 437 N HN 0.335 nan 8.380 nan 0.000 0.424 440 L N 0.000 121.002 121.223 -0.368 0.000 2.949 440 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 440 L CA 0.000 54.640 54.840 -0.333 0.000 0.813 440 L CB 0.000 41.773 42.059 -0.476 0.000 0.961 440 L HN 0.000 nan 8.230 nan 0.000 0.502