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 3phf_1_K DATA FIRST_RESID 20 DATA SEQUENCE LSEVKLHLDI EGHASHYTIP WTELMAKVPG LSPEALWREA NVTEDLASML DATA SEQUENCE NRYKLIYKTS GTLGIALAEP VDIPAVSEGS MQVDASKVHP GVISGLNSPA DATA SEQUENCE cMLSAPLEKQ LFYYIGTMLP NTRPHSYVFY QLRCHLSYVA LSINGDKFQY DATA SEQUENCE TGAMTSKFLM GTYKRVTEKG DEHVLSLVFG KTKDLPDLRG PFSYPSLTSA DATA SEQUENCE QSGDYSLVIV TTFVHYANFH NYFVPNLKDM FSRAVTMTAA SYARYVLQKL DATA SEQUENCE VLLEMKGGcR EPELDTETLT TMFEVSVAFF KVGHAVGETG NGcVDLRWLA DATA SEQUENCE KSFFELTVLK DIIGIcYGAT VKGMQSYGLE RLAAMLMATV KMEELGHLTT DATA SEQUENCE EKQEYALRLA TVGYPKAGVY SGLIGGATSV LLSAYNRHPL FQPLHTVMRE DATA SEQUENCE TLFIGSHVVL RELRLNVTTQ GPNLALYQLL STALcSALEI GEVLRGLALG DATA SEQUENCE TESGLFSPcY LSLRFDLTRD KLLSMAPQEA TLDQAAVSNA VDGFLGRLSL DATA SEQUENCE EREDRDAWHL PAYKcVDRLD KVLMIIPLIN VTFIISSDRE VRGSALYEAS DATA SEQUENCE TTYLSSSLFL SPVIMNKcSQ GAVAGEPRQI PKIQNFTRTQ KSCIFCGFAL DATA SEQUENCE LSYDEKEGLE TTTYITSQEV QNSILSSNYF DFDNLHVHYL LLTTNGTVME DATA SEQUENCE IAG 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 20 L HA 0.000 nan 4.340 nan 0.000 0.249 20 L C 0.000 176.692 176.870 -0.296 0.000 1.165 20 L CA 0.000 54.865 54.840 0.042 0.000 0.813 20 L CB 0.000 42.089 42.059 0.050 0.000 0.961 21 S N 2.502 117.614 115.700 -0.979 0.000 3.235 21 S HA -0.018 4.452 4.470 -0.000 0.000 0.853 21 S C -0.657 173.431 174.600 -0.854 0.000 1.080 21 S CA 0.741 58.111 58.200 -1.384 0.000 1.163 21 S CB -0.293 62.495 63.200 -0.686 0.000 0.812 21 S HN 1.387 nan 8.310 nan 0.000 0.260 22 E N -1.056 118.627 120.200 -0.860 0.000 7.548 22 E HA 0.022 4.372 4.350 -0.000 0.000 0.443 22 E C -1.189 175.305 176.600 -0.177 0.000 0.387 22 E CA 0.965 57.131 56.400 -0.390 0.000 0.714 22 E CB -0.581 28.976 29.700 -0.238 0.000 0.961 22 E HN 1.786 nan 8.360 nan 0.000 0.264 23 V N 4.952 124.846 119.914 -0.034 0.000 2.882 23 V HA 0.592 4.712 4.120 -0.000 0.000 0.295 23 V C -1.446 174.687 176.094 0.065 0.000 1.273 23 V CA -0.081 62.269 62.300 0.083 0.000 0.949 23 V CB 1.765 33.736 31.823 0.246 0.000 1.071 23 V HN 0.714 nan 8.190 nan 0.000 0.432 24 K N 6.458 126.889 120.400 0.050 0.000 2.358 24 K HA 0.723 5.043 4.320 -0.000 0.000 0.260 24 K C -1.295 175.312 176.600 0.012 0.000 0.956 24 K CA -0.683 55.607 56.287 0.004 0.000 0.834 24 K CB 1.696 34.173 32.500 -0.038 0.000 1.102 24 K HN 0.750 nan 8.250 nan 0.000 0.431 25 L N 1.336 122.551 121.223 -0.013 0.000 2.334 25 L HA 0.619 4.959 4.340 -0.000 0.000 0.273 25 L C -1.261 175.549 176.870 -0.099 0.000 1.013 25 L CA -0.345 54.537 54.840 0.070 0.000 0.816 25 L CB 1.397 43.518 42.059 0.104 0.000 1.278 25 L HN 0.544 nan 8.230 nan 0.000 0.431 26 H N 2.225 121.243 119.070 -0.087 0.000 2.492 26 H HA 0.789 5.345 4.556 -0.000 0.000 0.345 26 H C -0.336 174.968 175.328 -0.040 0.000 1.136 26 H CA -0.649 55.280 56.048 -0.198 0.000 1.202 26 H CB 1.638 31.209 29.762 -0.319 0.000 1.524 26 H HN 0.637 nan 8.280 nan 0.000 0.506 27 L N 0.368 121.662 121.223 0.119 0.000 2.670 27 L HA 0.531 4.871 4.340 -0.000 0.000 0.251 27 L C -0.506 176.441 176.870 0.128 0.000 1.548 27 L CA -0.649 54.275 54.840 0.139 0.000 1.643 27 L CB 0.799 42.976 42.059 0.196 0.000 2.174 27 L HN 0.569 nan 8.230 nan 0.000 0.585 28 D N 0.066 120.542 120.400 0.128 0.000 2.926 28 D HA 0.225 4.865 4.640 -0.000 0.000 0.234 28 D C -1.046 175.321 176.300 0.113 0.000 1.434 28 D CA -0.177 53.893 54.000 0.118 0.000 0.951 28 D CB 0.254 41.105 40.800 0.086 0.000 1.500 28 D HN 0.246 nan 8.370 nan 0.000 0.558 29 I N 2.820 123.470 120.570 0.133 0.000 2.680 29 I HA -0.012 4.158 4.170 -0.000 0.000 0.286 29 I C 0.512 176.699 176.117 0.116 0.000 1.144 29 I CA 0.040 61.407 61.300 0.111 0.000 1.370 29 I CB 0.351 38.413 38.000 0.105 0.000 1.420 29 I HN 0.202 nan 8.210 nan 0.000 0.540 30 E N 6.778 127.031 120.200 0.088 0.000 0.885 30 E HA -0.285 4.065 4.350 -0.000 0.000 0.251 30 E C 1.068 177.744 176.600 0.127 0.000 0.717 30 E CA 0.970 57.420 56.400 0.083 0.000 0.816 30 E CB -0.997 28.741 29.700 0.063 0.000 0.900 30 E HN 1.113 nan 8.360 nan 0.000 0.281 31 G N 1.744 110.614 108.800 0.116 0.000 2.659 31 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.202 31 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.202 31 G C -0.079 174.844 174.900 0.039 0.000 1.186 31 G CA 0.025 45.190 45.100 0.108 0.000 0.783 31 G HN 0.550 nan 8.290 nan 0.000 0.521 32 H N 1.133 120.228 119.070 0.041 0.000 2.479 32 H HA 0.760 5.316 4.556 -0.000 0.000 0.335 32 H C 0.505 175.876 175.328 0.072 0.000 1.142 32 H CA 0.347 56.422 56.048 0.046 0.000 1.234 32 H CB 1.714 31.497 29.762 0.036 0.000 1.503 32 H HN 0.658 nan 8.280 nan 0.000 0.510 33 A N 2.322 125.252 122.820 0.185 0.000 2.269 33 A HA 0.449 4.769 4.320 -0.000 0.000 0.302 33 A C -0.186 177.561 177.584 0.272 0.000 1.266 33 A CA -0.512 51.656 52.037 0.218 0.000 0.894 33 A CB 0.053 19.207 19.000 0.258 0.000 1.147 33 A HN 0.634 nan 8.150 nan 0.000 0.537 34 S N 1.254 117.091 115.700 0.227 0.000 2.585 34 S HA 0.538 5.008 4.470 -0.000 0.000 0.277 34 S C -0.767 173.896 174.600 0.104 0.000 1.241 34 S CA -0.280 57.994 58.200 0.123 0.000 1.041 34 S CB 0.482 63.757 63.200 0.125 0.000 0.987 34 S HN 0.719 nan 8.310 nan 0.000 0.512 35 H N 1.125 119.948 119.070 -0.412 0.000 2.970 35 H HA 0.438 4.994 4.556 -0.000 0.000 0.315 35 H C -1.511 173.491 175.328 -0.543 0.000 0.992 35 H CA -0.305 55.506 56.048 -0.395 0.000 1.363 35 H CB 0.330 29.925 29.762 -0.278 0.000 1.532 35 H HN 0.487 nan 8.280 nan 0.000 0.514 36 Y N 0.946 121.204 120.300 -0.070 0.000 2.376 36 Y HA 0.432 4.982 4.550 -0.000 0.000 0.340 36 Y C 0.256 176.118 175.900 -0.063 0.000 0.965 36 Y CA -1.028 57.049 58.100 -0.037 0.000 1.078 36 Y CB 1.981 40.431 38.460 -0.017 0.000 1.193 36 Y HN 0.502 nan 8.280 nan 0.000 0.452 37 T N 1.326 115.946 114.554 0.110 0.000 2.791 37 T HA 0.661 5.011 4.350 -0.000 0.000 0.288 37 T C -0.620 174.126 174.700 0.076 0.000 0.999 37 T CA -0.589 61.543 62.100 0.054 0.000 0.952 37 T CB 0.178 69.055 68.868 0.014 0.000 0.938 37 T HN 0.501 nan 8.240 nan 0.000 0.444 38 I N 5.277 125.901 120.570 0.089 0.000 2.310 38 I HA 0.297 4.467 4.170 -0.000 0.000 0.287 38 I C -2.418 173.766 176.117 0.111 0.000 1.073 38 I CA -2.521 58.846 61.300 0.112 0.000 1.216 38 I CB 1.398 39.486 38.000 0.147 0.000 1.415 38 I HN 0.381 nan 8.210 nan 0.000 0.480 39 P HA 0.046 nan 4.420 nan 0.000 0.256 39 P C 0.644 177.903 177.300 -0.069 0.000 1.689 39 P CA -0.428 62.603 63.100 -0.115 0.000 1.124 39 P CB -0.063 31.575 31.700 -0.103 0.000 1.766 40 W N 1.660 122.945 121.300 -0.026 0.000 2.721 40 W HA -0.061 4.599 4.660 -0.000 0.000 0.245 40 W C 1.006 177.514 176.519 -0.020 0.000 1.276 40 W CA 0.725 58.055 57.345 -0.024 0.000 1.342 40 W CB -2.054 27.386 29.460 -0.034 0.000 1.135 40 W HN 0.178 nan 8.180 nan 0.000 0.654 41 T N 1.108 115.477 114.554 -0.309 0.000 2.777 41 T HA -0.262 4.088 4.350 -0.000 0.000 0.266 41 T C 1.759 176.406 174.700 -0.088 0.000 1.040 41 T CA 2.210 64.153 62.100 -0.262 0.000 1.141 41 T CB -0.187 68.450 68.868 -0.385 0.000 0.868 41 T HN 0.307 nan 8.240 nan 0.000 0.444 42 E N -0.265 119.891 120.200 -0.073 0.000 2.158 42 E HA -0.019 4.331 4.350 -0.000 0.000 0.191 42 E C 2.350 178.957 176.600 0.012 0.000 0.982 42 E CA 0.507 56.890 56.400 -0.029 0.000 0.823 42 E CB -0.179 29.502 29.700 -0.031 0.000 0.766 42 E HN 0.536 nan 8.360 nan 0.000 0.468 43 L N 0.399 121.647 121.223 0.042 0.000 2.046 43 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 43 L C 2.754 179.668 176.870 0.073 0.000 1.077 43 L CA 1.122 56.002 54.840 0.068 0.000 0.747 43 L CB -0.331 41.792 42.059 0.106 0.000 0.896 43 L HN 0.285 nan 8.230 nan 0.000 0.432 44 M N -0.861 118.797 119.600 0.098 0.000 2.267 44 M HA -0.210 4.270 4.480 -0.000 0.000 0.263 44 M C 2.339 178.674 176.300 0.058 0.000 1.063 44 M CA 1.656 57.012 55.300 0.094 0.000 1.090 44 M CB -0.480 32.197 32.600 0.128 0.000 1.392 44 M HN 0.349 nan 8.290 nan 0.000 0.422 45 A N 0.309 123.153 122.820 0.041 0.000 1.874 45 A HA -0.088 4.232 4.320 -0.000 0.000 0.214 45 A C 2.058 179.658 177.584 0.027 0.000 1.189 45 A CA 1.215 53.269 52.037 0.027 0.000 0.615 45 A CB -0.297 18.711 19.000 0.014 0.000 0.830 45 A HN 0.364 nan 8.150 nan 0.000 0.443 46 K N -0.706 119.710 120.400 0.027 0.000 2.486 46 K HA 0.157 4.477 4.320 -0.000 0.000 0.194 46 K C -0.616 176.001 176.600 0.029 0.000 1.033 46 K CA 0.206 56.508 56.287 0.024 0.000 1.004 46 K CB 0.163 32.676 32.500 0.021 0.000 0.798 46 K HN 0.322 nan 8.250 nan 0.000 0.495 47 V N 1.550 121.486 119.914 0.036 0.000 2.735 47 V HA 0.147 4.267 4.120 -0.000 0.000 0.310 47 V C -1.685 174.433 176.094 0.041 0.000 1.061 47 V CA -1.420 60.903 62.300 0.038 0.000 0.913 47 V CB 1.787 33.634 31.823 0.041 0.000 1.005 47 V HN -0.020 nan 8.190 nan 0.000 0.428 48 P HA 0.074 nan 4.420 nan 0.000 0.210 48 P C 1.350 178.673 177.300 0.039 0.000 1.173 48 P CA 1.209 64.333 63.100 0.040 0.000 0.898 48 P CB 0.410 32.135 31.700 0.042 0.000 0.758 49 G N 0.250 109.072 108.800 0.037 0.000 2.776 49 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.209 49 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.209 49 G C 0.748 175.665 174.900 0.029 0.000 1.145 49 G CA -0.256 44.863 45.100 0.032 0.000 0.791 49 G HN 0.225 nan 8.290 nan 0.000 0.530 50 L N 2.819 124.062 121.223 0.032 0.000 2.454 50 L HA 0.266 4.606 4.340 -0.000 0.000 0.284 50 L C 0.086 176.975 176.870 0.032 0.000 1.139 50 L CA -0.439 54.417 54.840 0.027 0.000 0.911 50 L CB 0.493 42.575 42.059 0.037 0.000 1.262 50 L HN 0.131 nan 8.230 nan 0.000 0.453 51 S N 4.244 119.953 115.700 0.015 0.000 2.328 51 S HA 0.341 4.811 4.470 -0.000 0.000 0.204 51 S C -1.434 173.149 174.600 -0.028 0.000 1.475 51 S CA -1.193 57.014 58.200 0.013 0.000 1.148 51 S CB 0.820 64.033 63.200 0.023 0.000 1.077 51 S HN 0.492 nan 8.310 nan 0.000 0.479 52 P HA -0.216 nan 4.420 nan 0.000 0.217 52 P C 1.283 178.478 177.300 -0.175 0.000 1.151 52 P CA 1.329 64.311 63.100 -0.197 0.000 0.849 52 P CB 0.232 31.677 31.700 -0.426 0.000 0.787 53 E N -0.042 120.062 120.200 -0.160 0.000 2.097 53 E HA -0.171 4.179 4.350 -0.000 0.000 0.196 53 E C 2.181 178.807 176.600 0.043 0.000 1.000 53 E CA 1.652 58.008 56.400 -0.073 0.000 0.804 53 E CB -0.793 28.889 29.700 -0.030 0.000 0.740 53 E HN 0.257 nan 8.360 nan 0.000 0.454 54 A N 0.815 123.657 122.820 0.036 0.000 1.854 54 A HA -0.100 4.220 4.320 -0.000 0.000 0.214 54 A C 2.453 180.091 177.584 0.091 0.000 1.192 54 A CA 1.052 53.128 52.037 0.065 0.000 0.611 54 A CB -0.786 18.246 19.000 0.053 0.000 0.832 54 A HN 0.208 nan 8.150 nan 0.000 0.442 55 L N -1.404 119.854 121.223 0.059 0.000 2.079 55 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 55 L C 2.630 179.572 176.870 0.121 0.000 1.081 55 L CA 1.571 56.437 54.840 0.044 0.000 0.752 55 L CB -0.515 41.463 42.059 -0.134 0.000 0.896 55 L HN 0.800 nan 8.230 nan 0.000 0.433 56 W N 1.303 122.560 121.300 -0.071 0.000 2.374 56 W HA -0.239 4.421 4.660 -0.000 0.000 0.288 56 W C 2.527 179.051 176.519 0.008 0.000 1.218 56 W CA 1.440 58.752 57.345 -0.056 0.000 1.245 56 W CB 0.000 29.377 29.460 -0.139 0.000 1.126 56 W HN 0.110 nan 8.180 nan 0.000 0.545 57 R N 1.002 121.549 120.500 0.078 0.000 2.100 57 R HA -0.057 4.283 4.340 -0.000 0.000 0.220 57 R C 2.146 178.442 176.300 -0.006 0.000 1.091 57 R CA 1.731 57.833 56.100 0.003 0.000 0.986 57 R CB -0.818 29.531 30.300 0.081 0.000 0.888 57 R HN 0.147 nan 8.270 nan 0.000 0.444 58 E N 0.313 120.559 120.200 0.077 0.000 2.070 58 E HA -0.135 4.215 4.350 -0.000 0.000 0.197 58 E C 0.035 176.658 176.600 0.040 0.000 1.004 58 E CA 1.254 57.720 56.400 0.109 0.000 0.805 58 E CB -0.224 29.636 29.700 0.267 0.000 0.744 58 E HN 0.335 nan 8.360 nan 0.000 0.451 59 A N 2.272 125.128 122.820 0.060 0.000 2.415 59 A HA 0.073 4.393 4.320 -0.000 0.000 0.309 59 A C -0.057 177.407 177.584 -0.201 0.000 1.356 59 A CA -0.355 51.645 52.037 -0.061 0.000 0.998 59 A CB -0.037 18.994 19.000 0.051 0.000 1.145 59 A HN 0.049 nan 8.150 nan 0.000 0.545 60 N N 2.829 121.437 118.700 -0.154 0.000 2.349 60 N HA -0.034 4.706 4.740 -0.000 0.000 0.296 60 N C 1.578 176.951 175.510 -0.228 0.000 1.304 60 N CA 0.364 53.315 53.050 -0.165 0.000 1.051 60 N CB 0.362 38.786 38.487 -0.104 0.000 1.466 60 N HN 0.556 nan 8.380 nan 0.000 0.487 61 V N 0.855 120.546 119.914 -0.371 0.000 2.469 61 V HA -0.215 3.905 4.120 -0.000 0.000 0.251 61 V C 2.010 177.983 176.094 -0.202 0.000 1.064 61 V CA 2.169 64.222 62.300 -0.412 0.000 1.066 61 V CB -1.338 30.038 31.823 -0.746 0.000 0.667 61 V HN 0.626 nan 8.190 nan 0.000 0.461 62 T N -2.062 112.406 114.554 -0.142 0.000 3.107 62 T HA 0.100 4.450 4.350 -0.000 0.000 0.249 62 T C 0.764 175.422 174.700 -0.071 0.000 1.096 62 T CA 0.007 62.064 62.100 -0.072 0.000 1.012 62 T CB -0.484 68.363 68.868 -0.035 0.000 0.977 62 T HN 0.628 nan 8.240 nan 0.000 0.527 63 E N 4.006 124.150 120.200 -0.094 0.000 2.734 63 E HA -0.072 4.278 4.350 -0.000 0.000 0.235 63 E C 0.068 176.622 176.600 -0.076 0.000 1.107 63 E CA -0.309 56.041 56.400 -0.084 0.000 0.951 63 E CB 0.093 29.731 29.700 -0.103 0.000 0.955 63 E HN 0.578 nan 8.360 nan 0.000 0.515 64 D N 3.781 124.146 120.400 -0.058 0.000 2.515 64 D HA -0.191 4.449 4.640 -0.000 0.000 0.232 64 D C 1.277 177.539 176.300 -0.064 0.000 1.157 64 D CA 0.006 53.974 54.000 -0.052 0.000 0.871 64 D CB 0.904 41.680 40.800 -0.040 0.000 1.200 64 D HN 0.503 nan 8.370 nan 0.000 0.466 65 L N 1.988 123.174 121.223 -0.060 0.000 2.021 65 L HA -0.325 4.015 4.340 -0.000 0.000 0.215 65 L C 2.728 179.555 176.870 -0.071 0.000 1.074 65 L CA 2.270 57.068 54.840 -0.070 0.000 0.760 65 L CB -0.522 41.502 42.059 -0.059 0.000 0.889 65 L HN 0.709 nan 8.230 nan 0.000 0.433 66 A N -1.193 121.593 122.820 -0.057 0.000 1.845 66 A HA -0.275 4.045 4.320 -0.000 0.000 0.215 66 A C 2.469 180.018 177.584 -0.058 0.000 1.195 66 A CA 2.105 54.111 52.037 -0.051 0.000 0.616 66 A CB -1.020 17.957 19.000 -0.039 0.000 0.832 66 A HN 0.463 nan 8.150 nan 0.000 0.443 67 S N -0.883 114.781 115.700 -0.060 0.000 2.419 67 S HA -0.232 4.238 4.470 -0.000 0.000 0.235 67 S C 2.038 176.581 174.600 -0.094 0.000 1.019 67 S CA 1.828 59.987 58.200 -0.069 0.000 0.982 67 S CB -0.569 62.593 63.200 -0.064 0.000 0.789 67 S HN 0.555 nan 8.310 nan 0.000 0.490 68 M N -0.104 119.433 119.600 -0.104 0.000 2.213 68 M HA -0.083 4.397 4.480 -0.000 0.000 0.263 68 M C 1.612 177.835 176.300 -0.129 0.000 1.062 68 M CA 1.393 56.611 55.300 -0.137 0.000 1.105 68 M CB -0.167 32.338 32.600 -0.157 0.000 1.385 68 M HN 0.394 nan 8.290 nan 0.000 0.417 69 L N 0.963 122.135 121.223 -0.085 0.000 2.072 69 L HA -0.163 4.177 4.340 -0.000 0.000 0.205 69 L C 2.081 178.962 176.870 0.019 0.000 1.079 69 L CA 1.592 56.425 54.840 -0.012 0.000 0.752 69 L CB -1.041 41.015 42.059 -0.006 0.000 0.906 69 L HN 0.405 nan 8.230 nan 0.000 0.436 70 N N -0.317 118.362 118.700 -0.035 0.000 2.104 70 N HA -0.250 4.490 4.740 -0.000 0.000 0.190 70 N C 1.753 177.211 175.510 -0.087 0.000 1.024 70 N CA 1.032 54.055 53.050 -0.046 0.000 0.853 70 N CB -0.284 38.164 38.487 -0.064 0.000 1.008 70 N HN 0.320 nan 8.380 nan 0.000 0.424 71 R N -0.348 120.057 120.500 -0.158 0.000 2.346 71 R HA -0.100 4.240 4.340 -0.000 0.000 0.199 71 R C 1.060 177.339 176.300 -0.035 0.000 1.015 71 R CA 0.500 56.428 56.100 -0.285 0.000 1.058 71 R CB 0.052 30.139 30.300 -0.354 0.000 0.921 71 R HN 0.413 nan 8.270 nan 0.000 0.475 72 Y N -0.360 119.861 120.300 -0.131 0.000 2.784 72 Y HA 0.122 4.672 4.550 -0.000 0.000 0.267 72 Y C 1.084 177.007 175.900 0.038 0.000 1.117 72 Y CA -0.069 57.960 58.100 -0.119 0.000 1.231 72 Y CB 0.306 38.524 38.460 -0.403 0.000 1.441 72 Y HN -0.066 nan 8.280 nan 0.000 0.469 73 K N 0.432 120.753 120.400 -0.131 0.000 2.611 73 K HA 0.052 4.372 4.320 -0.000 0.000 0.193 73 K C 0.704 177.351 176.600 0.078 0.000 1.026 73 K CA 0.966 57.184 56.287 -0.115 0.000 1.063 73 K CB 0.169 32.679 32.500 0.017 0.000 0.839 73 K HN 0.387 nan 8.250 nan 0.000 0.505 74 L N 0.608 121.867 121.223 0.060 0.000 2.731 74 L HA 0.315 4.655 4.340 -0.000 0.000 0.240 74 L C -0.219 176.703 176.870 0.088 0.000 1.120 74 L CA -0.094 54.837 54.840 0.150 0.000 0.913 74 L CB 0.497 42.608 42.059 0.088 0.000 1.213 74 L HN 0.155 nan 8.230 nan 0.000 0.515 75 I N 0.019 120.555 120.570 -0.055 0.000 2.440 75 I HA 0.077 4.247 4.170 -0.000 0.000 0.294 75 I C -0.097 175.628 176.117 -0.653 0.000 0.995 75 I CA -0.648 60.532 61.300 -0.201 0.000 1.306 75 I CB 0.628 38.580 38.000 -0.080 0.000 1.407 75 I HN -0.010 nan 8.210 nan 0.000 0.501 76 Y N 7.056 126.847 120.300 -0.848 0.000 2.511 76 Y HA 0.150 4.700 4.550 -0.000 0.000 0.332 76 Y C -0.075 175.430 175.900 -0.660 0.000 1.177 76 Y CA 0.047 57.433 58.100 -1.191 0.000 1.422 76 Y CB 0.405 38.427 38.460 -0.730 0.000 1.271 76 Y HN 0.367 nan 8.280 nan 0.000 0.550 77 K N 4.003 123.685 120.400 -1.198 0.000 2.259 77 K HA 0.216 4.536 4.320 -0.000 0.000 0.252 77 K C -0.437 175.533 176.600 -1.050 0.000 0.936 77 K CA -0.836 54.985 56.287 -0.777 0.000 0.810 77 K CB 1.660 33.978 32.500 -0.303 0.000 1.143 77 K HN 0.752 nan 8.250 nan 0.000 0.427 78 T N 0.289 114.475 114.554 -0.613 0.000 2.834 78 T HA 0.045 4.395 4.350 -0.000 0.000 0.298 78 T C 0.519 175.075 174.700 -0.239 0.000 0.966 78 T CA -0.175 61.678 62.100 -0.412 0.000 1.141 78 T CB 0.109 68.860 68.868 -0.195 0.000 0.905 78 T HN 0.450 nan 8.240 nan 0.000 0.535 79 S N 3.343 118.955 115.700 -0.147 0.000 2.723 79 S HA 0.351 4.821 4.470 -0.000 0.000 0.231 79 S C 0.921 175.504 174.600 -0.028 0.000 0.967 79 S CA -0.038 58.133 58.200 -0.048 0.000 0.958 79 S CB -0.535 62.681 63.200 0.026 0.000 0.778 79 S HN 1.318 nan 8.310 nan 0.000 0.537 80 G N 0.814 109.587 108.800 -0.045 0.000 2.400 80 G HA2 0.077 4.037 3.960 -0.000 0.000 0.199 80 G HA3 0.077 4.037 3.960 -0.000 0.000 0.199 80 G C -0.592 174.292 174.900 -0.026 0.000 1.383 80 G CA -1.207 43.878 45.100 -0.024 0.000 1.117 80 G HN 0.028 nan 8.290 nan 0.000 0.621 81 T N 2.947 117.484 114.554 -0.029 0.000 2.758 81 T HA 0.208 4.558 4.350 -0.000 0.000 0.281 81 T C 0.727 175.412 174.700 -0.026 0.000 0.963 81 T CA 0.335 62.415 62.100 -0.033 0.000 1.201 81 T CB 0.465 69.321 68.868 -0.021 0.000 0.906 81 T HN 0.797 nan 8.240 nan 0.000 0.528 82 L N 5.335 126.535 121.223 -0.038 0.000 2.313 82 L HA 0.598 4.938 4.340 -0.000 0.000 0.282 82 L C 0.570 177.428 176.870 -0.020 0.000 1.092 82 L CA -0.115 54.713 54.840 -0.021 0.000 0.831 82 L CB 0.231 42.281 42.059 -0.015 0.000 1.159 82 L HN 0.588 nan 8.230 nan 0.000 0.442 83 G N 6.093 114.902 108.800 0.015 0.000 2.389 83 G HA2 0.657 4.617 3.960 -0.000 0.000 0.317 83 G HA3 0.657 4.617 3.960 -0.000 0.000 0.317 83 G C -0.879 174.068 174.900 0.078 0.000 1.137 83 G CA -0.472 44.654 45.100 0.044 0.000 0.870 83 G HN 0.658 nan 8.290 nan 0.000 0.496 84 I N 0.235 120.881 120.570 0.126 0.000 2.752 84 I HA 0.385 4.555 4.170 -0.000 0.000 0.295 84 I C 0.071 176.277 176.117 0.149 0.000 1.219 84 I CA -1.140 60.248 61.300 0.146 0.000 1.030 84 I CB 2.517 40.641 38.000 0.207 0.000 1.259 84 I HN 0.579 nan 8.210 nan 0.000 0.423 85 A N 7.566 130.452 122.820 0.109 0.000 2.671 85 A HA 0.621 4.941 4.320 -0.000 0.000 0.306 85 A C -0.622 177.017 177.584 0.092 0.000 1.473 85 A CA 0.053 52.146 52.037 0.093 0.000 1.155 85 A CB -0.550 18.490 19.000 0.067 0.000 1.123 85 A HN 0.564 nan 8.150 nan 0.000 0.545 86 L N 2.186 123.476 121.223 0.113 0.000 2.333 86 L HA 0.663 5.003 4.340 -0.000 0.000 0.280 86 L C 0.353 177.273 176.870 0.083 0.000 1.004 86 L CA -0.471 54.418 54.840 0.082 0.000 0.820 86 L CB 2.015 44.114 42.059 0.068 0.000 1.247 86 L HN 0.609 nan 8.230 nan 0.000 0.416 87 A N 2.704 125.556 122.820 0.055 0.000 2.288 87 A HA 0.393 4.713 4.320 -0.000 0.000 0.320 87 A C -0.254 177.362 177.584 0.053 0.000 1.217 87 A CA -0.501 51.572 52.037 0.059 0.000 0.840 87 A CB 0.836 19.862 19.000 0.043 0.000 1.179 87 A HN 0.767 nan 8.150 nan 0.000 0.504 88 E N 3.000 123.253 120.200 0.088 0.000 2.366 88 E HA 0.281 4.631 4.350 -0.000 0.000 0.266 88 E C -2.002 174.629 176.600 0.051 0.000 1.015 88 E CA -1.137 55.320 56.400 0.093 0.000 0.906 88 E CB 0.316 30.125 29.700 0.181 0.000 0.979 88 E HN 0.454 nan 8.360 nan 0.000 0.443 89 P HA 0.036 nan 4.420 nan 0.000 0.276 89 P C -1.259 176.051 177.300 0.017 0.000 1.252 89 P CA -0.550 62.565 63.100 0.025 0.000 0.802 89 P CB 0.806 32.523 31.700 0.029 0.000 1.035 90 V N 2.071 121.987 119.914 0.003 0.000 2.304 90 V HA 0.115 4.235 4.120 -0.000 0.000 0.269 90 V C 0.282 176.334 176.094 -0.071 0.000 1.036 90 V CA 0.067 62.344 62.300 -0.039 0.000 0.840 90 V CB 0.063 31.862 31.823 -0.040 0.000 1.036 90 V HN 0.414 nan 8.190 nan 0.000 0.466 91 D N 4.861 125.173 120.400 -0.148 0.000 2.128 91 D HA 0.131 4.771 4.640 -0.000 0.000 0.213 91 D C 0.840 176.597 176.300 -0.905 0.000 0.983 91 D CA 1.183 54.973 54.000 -0.349 0.000 0.889 91 D CB 0.132 40.785 40.800 -0.244 0.000 1.018 91 D HN 0.569 nan 8.370 nan 0.000 0.448 92 I N 4.106 124.094 120.570 -0.968 0.000 2.581 92 I HA 0.053 4.223 4.170 -0.000 0.000 0.285 92 I C -1.757 174.095 176.117 -0.442 0.000 1.129 92 I CA -1.145 59.601 61.300 -0.924 0.000 1.397 92 I CB 0.450 38.049 38.000 -0.668 0.000 1.399 92 I HN 0.015 nan 8.210 nan 0.000 0.537 93 P HA 0.260 nan 4.420 nan 0.000 0.276 93 P C -0.602 176.628 177.300 -0.117 0.000 1.244 93 P CA -0.551 62.460 63.100 -0.147 0.000 0.801 93 P CB 0.991 32.652 31.700 -0.065 0.000 1.006 94 A N 2.006 124.778 122.820 -0.081 0.000 2.511 94 A HA 0.100 4.420 4.320 -0.000 0.000 0.242 94 A C 0.553 178.109 177.584 -0.047 0.000 1.069 94 A CA -0.396 51.603 52.037 -0.063 0.000 0.763 94 A CB -0.287 18.685 19.000 -0.047 0.000 1.001 94 A HN 0.514 nan 8.150 nan 0.000 0.498 95 V N 4.572 124.460 119.914 -0.043 0.000 2.506 95 V HA 0.080 4.200 4.120 -0.000 0.000 0.296 95 V C 1.018 177.100 176.094 -0.020 0.000 1.004 95 V CA 0.772 63.056 62.300 -0.027 0.000 1.150 95 V CB -0.677 31.131 31.823 -0.024 0.000 0.911 95 V HN 1.039 nan 8.190 nan 0.000 0.476 96 S N 4.887 120.578 115.700 -0.015 0.000 2.658 96 S HA 0.026 4.496 4.470 -0.000 0.000 0.249 96 S C 0.431 175.023 174.600 -0.012 0.000 1.363 96 S CA 0.017 58.208 58.200 -0.014 0.000 0.964 96 S CB 0.128 63.319 63.200 -0.014 0.000 0.973 96 S HN 1.044 nan 8.310 nan 0.000 0.588 97 E N 1.206 121.399 120.200 -0.012 0.000 2.493 97 E HA 0.024 4.374 4.350 -0.000 0.000 0.255 97 E C 0.512 177.108 176.600 -0.007 0.000 0.999 97 E CA 0.307 56.701 56.400 -0.010 0.000 0.934 97 E CB -0.355 29.339 29.700 -0.010 0.000 0.940 97 E HN 0.859 nan 8.360 nan 0.000 0.473 98 G N 4.795 113.591 108.800 -0.006 0.000 2.072 98 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.242 98 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.242 98 G C -0.254 174.647 174.900 0.001 0.000 0.694 98 G CA 0.788 45.887 45.100 -0.002 0.000 1.084 98 G HN 0.505 nan 8.290 nan 0.000 0.350 99 S N 3.163 118.864 115.700 0.002 0.000 2.541 99 S HA 0.601 5.071 4.470 -0.000 0.000 0.283 99 S C 0.784 175.392 174.600 0.012 0.000 1.196 99 S CA -1.022 57.182 58.200 0.007 0.000 1.062 99 S CB 1.413 64.617 63.200 0.007 0.000 1.009 99 S HN 0.401 nan 8.310 nan 0.000 0.502 100 M N 3.180 122.791 119.600 0.019 0.000 2.513 100 M HA 0.043 4.523 4.480 -0.000 0.000 0.341 100 M C 0.415 176.728 176.300 0.022 0.000 1.689 100 M CA 0.736 56.051 55.300 0.025 0.000 1.202 100 M CB -1.155 31.466 32.600 0.035 0.000 1.996 100 M HN 0.645 nan 8.290 nan 0.000 0.458 101 Q N 2.380 122.189 119.800 0.016 0.000 2.304 101 Q HA 0.421 4.761 4.340 -0.000 0.000 0.260 101 Q C -0.492 175.508 176.000 -0.000 0.000 0.965 101 Q CA -0.166 55.640 55.803 0.005 0.000 0.898 101 Q CB 1.141 29.879 28.738 -0.001 0.000 1.196 101 Q HN 0.458 nan 8.270 nan 0.000 0.402 102 V N 1.432 121.337 119.914 -0.014 0.000 2.864 102 V HA 0.334 4.454 4.120 -0.000 0.000 0.314 102 V C -0.412 175.644 176.094 -0.063 0.000 1.073 102 V CA -0.926 61.351 62.300 -0.038 0.000 0.956 102 V CB 2.116 33.919 31.823 -0.034 0.000 1.023 102 V HN 0.723 nan 8.190 nan 0.000 0.435 103 D N 1.508 121.851 120.400 -0.096 0.000 2.408 103 D HA 0.571 5.211 4.640 -0.000 0.000 0.243 103 D C 0.735 176.956 176.300 -0.131 0.000 1.075 103 D CA 0.120 54.058 54.000 -0.103 0.000 0.832 103 D CB 2.299 43.038 40.800 -0.101 0.000 1.162 103 D HN 0.576 nan 8.370 nan 0.000 0.515 104 A N 3.555 126.284 122.820 -0.150 0.000 1.848 104 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 104 A C 2.163 179.615 177.584 -0.220 0.000 1.220 104 A CA 2.957 54.856 52.037 -0.229 0.000 0.645 104 A CB -1.227 17.591 19.000 -0.303 0.000 0.842 104 A HN 0.736 nan 8.150 nan 0.000 0.451 105 S N 0.060 115.655 115.700 -0.175 0.000 2.387 105 S HA -0.189 4.281 4.470 -0.000 0.000 0.230 105 S C 1.271 175.858 174.600 -0.022 0.000 1.035 105 S CA 1.727 59.905 58.200 -0.038 0.000 1.014 105 S CB -0.466 62.741 63.200 0.012 0.000 0.836 105 S HN 0.590 nan 8.310 nan 0.000 0.466 106 K N 1.451 121.801 120.400 -0.083 0.000 2.684 106 K HA 0.366 4.686 4.320 -0.000 0.000 0.215 106 K C -0.347 176.125 176.600 -0.213 0.000 1.073 106 K CA -0.199 56.013 56.287 -0.126 0.000 1.197 106 K CB 0.574 32.987 32.500 -0.145 0.000 0.955 106 K HN 0.273 nan 8.250 nan 0.000 0.473 107 V N 3.599 123.432 119.914 -0.136 0.000 2.425 107 V HA -0.059 4.061 4.120 -0.000 0.000 0.276 107 V C 0.177 176.224 176.094 -0.078 0.000 1.017 107 V CA -0.243 61.982 62.300 -0.124 0.000 1.062 107 V CB -0.386 31.399 31.823 -0.064 0.000 0.997 107 V HN 0.435 nan 8.190 nan 0.000 0.476 108 H N 9.762 128.832 119.070 -0.000 0.000 3.140 108 H HA 0.025 4.581 4.556 -0.000 0.000 0.316 108 H C -1.308 174.022 175.328 0.004 0.000 0.986 108 H CA -0.767 55.282 56.048 0.003 0.000 1.397 108 H CB 0.566 30.328 29.762 0.000 0.000 1.377 108 H HN 0.584 nan 8.280 nan 0.000 0.585 109 P HA -0.074 nan 4.420 nan 0.000 0.234 109 P C 0.657 177.992 177.300 0.058 0.000 1.162 109 P CA 0.707 63.852 63.100 0.075 0.000 0.759 109 P CB 0.420 32.155 31.700 0.059 0.000 0.813 110 G N -0.837 108.007 108.800 0.074 0.000 3.015 110 G HA2 0.466 4.426 3.960 -0.000 0.000 0.281 110 G HA3 0.466 4.426 3.960 -0.000 0.000 0.281 110 G C -0.842 174.086 174.900 0.048 0.000 1.386 110 G CA -0.512 44.612 45.100 0.040 0.000 0.959 110 G HN -0.128 nan 8.290 nan 0.000 0.522 111 V N -0.147 119.783 119.914 0.026 0.000 3.096 111 V HA 0.258 4.378 4.120 -0.000 0.000 0.306 111 V C 0.628 176.742 176.094 0.032 0.000 1.088 111 V CA 0.419 62.736 62.300 0.028 0.000 1.129 111 V CB 1.082 32.915 31.823 0.017 0.000 1.014 111 V HN 0.585 nan 8.190 nan 0.000 0.486 112 I N 1.471 122.067 120.570 0.042 0.000 3.820 112 I HA 0.242 4.412 4.170 -0.000 0.000 0.323 112 I C 0.080 176.221 176.117 0.040 0.000 1.482 112 I CA 0.209 61.539 61.300 0.049 0.000 1.048 112 I CB 0.219 38.280 38.000 0.102 0.000 1.436 112 I HN 0.807 nan 8.210 nan 0.000 0.575 113 S N -0.743 114.977 115.700 0.033 0.000 2.636 113 S HA 0.657 5.127 4.470 -0.000 0.000 0.266 113 S C -0.481 174.140 174.600 0.035 0.000 1.116 113 S CA -0.528 57.692 58.200 0.034 0.000 0.893 113 S CB 0.834 64.059 63.200 0.043 0.000 1.171 113 S HN 0.144 nan 8.310 nan 0.000 0.482 114 G N -0.752 108.072 108.800 0.040 0.000 3.013 114 G HA2 0.676 4.636 3.960 -0.000 0.000 0.278 114 G HA3 0.676 4.636 3.960 -0.000 0.000 0.278 114 G C 0.194 175.136 174.900 0.069 0.000 1.353 114 G CA -0.692 44.434 45.100 0.044 0.000 1.043 114 G HN 0.745 nan 8.290 nan 0.000 0.523 115 L N -0.285 120.985 121.223 0.079 0.000 2.023 115 L HA -0.014 4.326 4.340 -0.000 0.000 0.205 115 L C 2.623 179.554 176.870 0.101 0.000 1.073 115 L CA 1.822 56.742 54.840 0.133 0.000 0.745 115 L CB -0.181 41.953 42.059 0.124 0.000 0.900 115 L HN 0.719 nan 8.230 nan 0.000 0.435 116 N N -1.212 117.516 118.700 0.048 0.000 2.459 116 N HA -0.104 4.636 4.740 -0.000 0.000 0.181 116 N C 0.787 176.291 175.510 -0.010 0.000 1.046 116 N CA 0.494 53.546 53.050 0.004 0.000 0.904 116 N CB -0.325 38.165 38.487 0.006 0.000 0.964 116 N HN 0.148 nan 8.380 nan 0.000 0.444 117 S N 0.898 116.605 115.700 0.011 0.000 2.528 117 S HA 0.276 4.746 4.470 -0.000 0.000 0.277 117 S C -2.402 172.199 174.600 0.003 0.000 1.297 117 S CA -1.514 56.690 58.200 0.007 0.000 1.052 117 S CB 0.286 63.497 63.200 0.019 0.000 0.917 117 S HN 0.028 nan 8.310 nan 0.000 0.492 118 P HA 0.466 nan 4.420 nan 0.000 0.269 118 P C -1.092 176.216 177.300 0.013 0.000 1.209 118 P CA -0.141 62.952 63.100 -0.011 0.000 0.776 118 P CB 0.821 32.513 31.700 -0.014 0.000 0.876 119 A N 1.266 124.101 122.820 0.024 0.000 2.601 119 A HA 0.739 5.059 4.320 -0.000 0.000 0.291 119 A C -1.061 176.550 177.584 0.046 0.000 1.075 119 A CA -0.320 51.740 52.037 0.038 0.000 0.671 119 A CB 0.779 19.813 19.000 0.056 0.000 1.277 119 A HN 0.779 nan 8.150 nan 0.000 0.417 120 c N -0.600 118.022 118.600 0.037 0.000 3.311 120 c HA 0.878 5.448 4.570 -0.000 0.000 0.325 120 c C -0.838 173.264 174.090 0.019 0.000 1.352 120 c CA -0.789 55.563 56.329 0.038 0.000 1.308 120 c CB 0.559 43.084 42.510 0.025 0.000 1.619 120 c HN 1.019 nan 8.230 nan 0.000 0.469 121 M N 1.907 121.517 119.600 0.017 0.000 2.508 121 M HA 0.526 5.006 4.480 -0.000 0.000 0.327 121 M C -0.654 175.639 176.300 -0.011 0.000 1.160 121 M CA -0.584 54.711 55.300 -0.009 0.000 0.980 121 M CB 1.787 34.371 32.600 -0.027 0.000 1.693 121 M HN 0.661 nan 8.290 nan 0.000 0.452 122 L N 1.495 122.702 121.223 -0.026 0.000 2.410 122 L HA 0.132 4.472 4.340 -0.000 0.000 0.273 122 L C 1.145 178.002 176.870 -0.021 0.000 1.152 122 L CA -0.157 54.668 54.840 -0.026 0.000 0.855 122 L CB 0.909 42.947 42.059 -0.034 0.000 1.129 122 L HN 0.862 nan 8.230 nan 0.000 0.463 123 S N 2.162 117.852 115.700 -0.016 0.000 2.355 123 S HA -0.174 4.296 4.470 -0.000 0.000 0.222 123 S C 2.081 176.673 174.600 -0.012 0.000 1.031 123 S CA 1.105 59.301 58.200 -0.007 0.000 0.993 123 S CB -0.173 63.017 63.200 -0.018 0.000 0.859 123 S HN 0.831 nan 8.310 nan 0.000 0.453 124 A N 2.867 125.672 122.820 -0.024 0.000 1.896 124 A HA -0.152 4.168 4.320 -0.000 0.000 0.220 124 A C 0.497 178.065 177.584 -0.028 0.000 1.206 124 A CA 2.093 54.114 52.037 -0.028 0.000 0.647 124 A CB -1.834 17.149 19.000 -0.028 0.000 0.828 124 A HN 0.538 nan 8.150 nan 0.000 0.455 125 P HA -0.036 nan 4.420 nan 0.000 0.217 125 P C 1.759 179.030 177.300 -0.049 0.000 1.154 125 P CA 0.972 64.044 63.100 -0.047 0.000 0.841 125 P CB -0.185 31.475 31.700 -0.066 0.000 0.790 126 L N 0.912 122.110 121.223 -0.042 0.000 2.013 126 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 126 L C 2.583 179.487 176.870 0.057 0.000 1.073 126 L CA 2.206 57.031 54.840 -0.026 0.000 0.753 126 L CB -1.464 40.593 42.059 -0.003 0.000 0.890 126 L HN -0.121 nan 8.230 nan 0.000 0.432 127 E N -0.079 120.171 120.200 0.084 0.000 2.031 127 E HA -0.282 4.068 4.350 -0.000 0.000 0.193 127 E C 2.299 179.004 176.600 0.176 0.000 0.994 127 E CA 1.722 58.223 56.400 0.168 0.000 0.800 127 E CB -0.304 29.433 29.700 0.062 0.000 0.752 127 E HN 0.455 nan 8.360 nan 0.000 0.447 128 K N -0.153 120.278 120.400 0.052 0.000 2.281 128 K HA -0.228 4.092 4.320 -0.000 0.000 0.203 128 K C 2.162 178.805 176.600 0.072 0.000 1.046 128 K CA 1.491 57.783 56.287 0.009 0.000 0.938 128 K CB -0.024 32.453 32.500 -0.038 0.000 0.737 128 K HN 0.185 nan 8.250 nan 0.000 0.458 129 Q N 0.039 119.875 119.800 0.059 0.000 2.123 129 Q HA 0.003 4.343 4.340 -0.000 0.000 0.196 129 Q C 2.025 178.076 176.000 0.084 0.000 0.958 129 Q CA 0.591 56.411 55.803 0.027 0.000 0.841 129 Q CB 0.159 28.818 28.738 -0.131 0.000 0.915 129 Q HN 0.294 nan 8.270 nan 0.000 0.455 130 L N -0.423 120.884 121.223 0.141 0.000 1.976 130 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 130 L C 0.723 177.610 176.870 0.029 0.000 1.071 130 L CA 0.894 55.807 54.840 0.122 0.000 0.746 130 L CB -0.241 41.953 42.059 0.225 0.000 0.890 130 L HN 0.182 nan 8.230 nan 0.000 0.432 131 F N -0.604 119.412 119.950 0.110 0.000 2.733 131 F HA 0.026 4.553 4.527 -0.000 0.000 0.344 131 F C 1.315 177.175 175.800 0.100 0.000 1.179 131 F CA -0.404 57.668 58.000 0.120 0.000 1.316 131 F CB -0.895 38.169 39.000 0.107 0.000 1.577 131 F HN 0.024 nan 8.300 nan 0.000 0.591 132 Y N 0.220 120.530 120.300 0.016 0.000 2.263 132 Y HA -0.031 4.519 4.550 -0.000 0.000 0.292 132 Y C 0.467 176.362 175.900 -0.008 0.000 1.130 132 Y CA 0.466 58.515 58.100 -0.086 0.000 1.179 132 Y CB -0.502 37.770 38.460 -0.314 0.000 0.998 132 Y HN 0.131 nan 8.280 nan 0.000 0.532 133 Y N 1.296 121.574 120.300 -0.037 0.000 2.397 133 Y HA 0.312 4.862 4.550 -0.000 0.000 0.335 133 Y C 0.108 175.969 175.900 -0.064 0.000 1.213 133 Y CA -0.451 57.552 58.100 -0.161 0.000 1.391 133 Y CB 0.486 38.885 38.460 -0.102 0.000 1.293 133 Y HN -0.191 nan 8.280 nan 0.000 0.557 134 I N 1.121 121.704 120.570 0.022 0.000 2.648 134 I HA 0.730 4.900 4.170 -0.000 0.000 0.304 134 I C 0.518 176.627 176.117 -0.013 0.000 1.009 134 I CA -0.331 60.913 61.300 -0.094 0.000 1.114 134 I CB 2.040 39.900 38.000 -0.233 0.000 1.293 134 I HN 0.817 nan 8.210 nan 0.000 0.449 135 G N 2.290 111.083 108.800 -0.013 0.000 2.791 135 G HA2 0.499 4.459 3.960 -0.000 0.000 0.158 135 G HA3 0.499 4.459 3.960 -0.000 0.000 0.158 135 G C -1.384 173.531 174.900 0.026 0.000 1.193 135 G CA -0.260 44.857 45.100 0.027 0.000 1.032 135 G HN 0.420 nan 8.290 nan 0.000 0.557 136 T N 1.727 116.307 114.554 0.043 0.000 3.089 136 T HA 0.275 4.625 4.350 -0.000 0.000 0.340 136 T C 1.011 175.740 174.700 0.047 0.000 1.008 136 T CA -0.570 61.557 62.100 0.044 0.000 1.096 136 T CB 1.349 70.242 68.868 0.041 0.000 1.024 136 T HN 0.257 nan 8.240 nan 0.000 0.477 137 M N 1.681 121.308 119.600 0.045 0.000 2.213 137 M HA 0.104 4.584 4.480 -0.000 0.000 0.263 137 M C 0.509 176.837 176.300 0.047 0.000 1.062 137 M CA 1.336 56.653 55.300 0.028 0.000 1.105 137 M CB -0.739 31.897 32.600 0.060 0.000 1.385 137 M HN 0.508 nan 8.290 nan 0.000 0.417 138 L N 1.411 122.678 121.223 0.074 0.000 2.324 138 L HA 0.335 4.675 4.340 -0.000 0.000 0.274 138 L C -1.970 174.990 176.870 0.149 0.000 1.012 138 L CA -1.844 53.066 54.840 0.117 0.000 0.859 138 L CB 0.917 43.046 42.059 0.116 0.000 1.224 138 L HN -0.038 nan 8.230 nan 0.000 0.429 139 P HA 0.021 nan 4.420 nan 0.000 0.288 139 P C -0.364 176.974 177.300 0.064 0.000 1.291 139 P CA -0.254 62.898 63.100 0.087 0.000 0.766 139 P CB 1.035 32.758 31.700 0.038 0.000 1.242 140 N N -1.535 117.164 118.700 -0.000 0.000 2.273 140 N HA 0.053 4.793 4.740 -0.000 0.000 0.231 140 N C -0.239 175.221 175.510 -0.083 0.000 1.134 140 N CA -0.114 52.923 53.050 -0.022 0.000 0.856 140 N CB -0.552 37.925 38.487 -0.017 0.000 1.068 140 N HN 0.400 nan 8.380 nan 0.000 0.510 141 T N -2.389 112.087 114.554 -0.130 0.000 2.918 141 T HA 0.176 4.526 4.350 -0.000 0.000 0.302 141 T C 1.526 176.074 174.700 -0.252 0.000 1.045 141 T CA -0.378 61.599 62.100 -0.205 0.000 1.114 141 T CB 1.178 69.856 68.868 -0.317 0.000 0.965 141 T HN 0.120 nan 8.240 nan 0.000 0.540 142 R N 2.160 122.499 120.500 -0.267 0.000 2.133 142 R HA -0.098 4.242 4.340 -0.000 0.000 0.245 142 R C -0.398 175.538 176.300 -0.607 0.000 1.137 142 R CA 2.103 57.931 56.100 -0.453 0.000 0.947 142 R CB -1.834 28.306 30.300 -0.266 0.000 0.865 142 R HN 0.672 nan 8.270 nan 0.000 0.437 143 P HA -0.207 nan 4.420 nan 0.000 0.212 143 P C 0.818 178.117 177.300 -0.002 0.000 1.178 143 P CA 1.790 64.849 63.100 -0.068 0.000 0.915 143 P CB -0.388 31.326 31.700 0.023 0.000 0.788 144 H N -0.374 118.641 119.070 -0.092 0.000 2.321 144 H HA -0.026 4.530 4.556 -0.000 0.000 0.300 144 H C 2.346 177.635 175.328 -0.066 0.000 1.087 144 H CA 0.930 56.965 56.048 -0.023 0.000 1.319 144 H CB -0.406 29.415 29.762 0.099 0.000 1.379 144 H HN 0.139 nan 8.280 nan 0.000 0.501 145 S N 0.388 116.087 115.700 -0.002 0.000 2.462 145 S HA -0.169 4.301 4.470 -0.000 0.000 0.243 145 S C 1.274 175.893 174.600 0.032 0.000 1.003 145 S CA 1.031 59.208 58.200 -0.038 0.000 0.970 145 S CB -0.237 62.882 63.200 -0.135 0.000 0.762 145 S HN 0.398 nan 8.310 nan 0.000 0.510 146 Y N -0.130 120.155 120.300 -0.026 0.000 2.448 146 Y HA 0.188 4.738 4.550 -0.000 0.000 0.289 146 Y C 2.140 177.980 175.900 -0.100 0.000 1.114 146 Y CA -0.542 57.547 58.100 -0.018 0.000 1.235 146 Y CB -0.524 37.957 38.460 0.035 0.000 1.045 146 Y HN 0.089 nan 8.280 nan 0.000 0.554 147 V N -1.847 117.914 119.914 -0.254 0.000 2.599 147 V HA 0.027 4.147 4.120 -0.000 0.000 0.237 147 V C 0.349 176.061 176.094 -0.638 0.000 1.081 147 V CA 0.388 62.193 62.300 -0.826 0.000 1.107 147 V CB -0.331 30.637 31.823 -1.426 0.000 0.808 147 V HN -0.148 nan 8.190 nan 0.000 0.486 148 F N -1.260 118.569 119.950 -0.202 0.000 2.370 148 F HA 0.489 5.016 4.527 -0.000 0.000 0.319 148 F C -0.207 175.533 175.800 -0.100 0.000 1.129 148 F CA -1.172 56.750 58.000 -0.129 0.000 1.109 148 F CB 0.084 39.039 39.000 -0.076 0.000 1.262 148 F HN -0.030 nan 8.300 nan 0.000 0.534 149 Y N 1.383 121.819 120.300 0.228 0.000 2.350 149 Y HA 0.174 4.724 4.550 -0.000 0.000 0.340 149 Y C 0.259 176.233 175.900 0.123 0.000 1.006 149 Y CA -0.711 57.469 58.100 0.134 0.000 1.166 149 Y CB 0.444 38.963 38.460 0.099 0.000 1.168 149 Y HN 0.361 nan 8.280 nan 0.000 0.502 150 Q N 3.443 123.400 119.800 0.260 0.000 2.859 150 Q HA -0.111 4.229 4.340 -0.000 0.000 0.364 150 Q C -0.820 175.276 176.000 0.160 0.000 1.067 150 Q CA 0.692 56.601 55.803 0.177 0.000 1.162 150 Q CB 0.342 29.163 28.738 0.138 0.000 1.023 150 Q HN 0.556 nan 8.270 nan 0.000 0.415 151 L N 3.240 124.542 121.223 0.131 0.000 2.354 151 L HA 0.580 4.920 4.340 -0.000 0.000 0.269 151 L C -0.807 176.112 176.870 0.082 0.000 1.005 151 L CA -0.405 54.502 54.840 0.112 0.000 0.819 151 L CB 1.900 44.038 42.059 0.131 0.000 1.311 151 L HN 0.619 nan 8.230 nan 0.000 0.423 152 R N 4.466 125.004 120.500 0.062 0.000 2.518 152 R HA 0.697 5.037 4.340 -0.000 0.000 0.296 152 R C -1.939 174.365 176.300 0.007 0.000 1.080 152 R CA -0.348 55.769 56.100 0.029 0.000 0.922 152 R CB 0.839 31.147 30.300 0.013 0.000 1.184 152 R HN 0.933 nan 8.270 nan 0.000 0.445 153 C N 0.363 119.661 119.300 -0.002 0.000 3.318 153 C HA 0.544 5.004 4.460 -0.000 0.000 0.322 153 C C -0.205 174.770 174.990 -0.025 0.000 1.398 153 C CA -1.240 57.769 59.018 -0.015 0.000 1.339 153 C CB 1.387 29.166 27.740 0.066 0.000 1.668 153 C HN 0.766 nan 8.230 nan 0.000 0.462 154 H N 1.191 120.303 119.070 0.071 0.000 3.001 154 H HA 0.430 4.986 4.556 -0.000 0.000 0.334 154 H C -0.085 175.389 175.328 0.244 0.000 1.034 154 H CA 1.042 57.168 56.048 0.131 0.000 1.420 154 H CB 0.585 30.432 29.762 0.141 0.000 1.405 154 H HN 0.617 nan 8.280 nan 0.000 0.593 155 L N 0.082 121.528 121.223 0.371 0.000 2.598 155 L HA 0.691 5.031 4.340 -0.000 0.000 0.246 155 L C -0.520 176.420 176.870 0.117 0.000 1.124 155 L CA -1.066 53.987 54.840 0.354 0.000 1.019 155 L CB 0.798 42.946 42.059 0.149 0.000 1.583 155 L HN 0.609 nan 8.230 nan 0.000 0.386 156 S N -1.261 114.417 115.700 -0.037 0.000 2.556 156 S HA 0.775 5.245 4.470 -0.000 0.000 0.280 156 S C -1.543 172.947 174.600 -0.183 0.000 1.141 156 S CA -0.614 57.442 58.200 -0.240 0.000 0.883 156 S CB 0.905 63.910 63.200 -0.325 0.000 1.103 156 S HN 1.516 nan 8.310 nan 0.000 0.453 157 Y N -0.633 119.579 120.300 -0.147 0.000 2.665 157 Y HA 0.904 5.454 4.550 -0.000 0.000 0.336 157 Y C -1.237 174.512 175.900 -0.252 0.000 1.085 157 Y CA -1.987 55.997 58.100 -0.193 0.000 1.096 157 Y CB 0.671 39.017 38.460 -0.190 0.000 1.301 157 Y HN 0.569 nan 8.280 nan 0.000 0.493 158 V N 1.543 121.482 119.914 0.041 0.000 2.357 158 V HA 0.761 4.881 4.120 -0.000 0.000 0.281 158 V C 0.120 176.138 176.094 -0.127 0.000 1.015 158 V CA -0.874 61.370 62.300 -0.093 0.000 0.827 158 V CB 0.232 31.942 31.823 -0.187 0.000 1.018 158 V HN 1.110 nan 8.190 nan 0.000 0.432 159 A N 4.903 127.683 122.820 -0.066 0.000 2.371 159 A HA 0.828 5.148 4.320 -0.000 0.000 0.257 159 A C -0.761 176.788 177.584 -0.058 0.000 1.089 159 A CA -0.120 51.828 52.037 -0.147 0.000 0.794 159 A CB 0.925 19.840 19.000 -0.142 0.000 1.029 159 A HN 0.830 nan 8.150 nan 0.000 0.488 160 L N 1.178 122.367 121.223 -0.056 0.000 2.472 160 L HA 0.713 5.053 4.340 -0.000 0.000 0.260 160 L C -0.474 176.401 176.870 0.008 0.000 0.963 160 L CA 0.216 55.076 54.840 0.034 0.000 0.829 160 L CB 2.286 44.429 42.059 0.140 0.000 1.348 160 L HN 0.680 nan 8.230 nan 0.000 0.408 161 S N 4.686 120.409 115.700 0.038 0.000 2.706 161 S HA 0.819 5.289 4.470 -0.000 0.000 0.270 161 S C -1.262 173.378 174.600 0.066 0.000 1.163 161 S CA -0.552 57.669 58.200 0.035 0.000 1.042 161 S CB 0.377 63.581 63.200 0.008 0.000 1.079 161 S HN 0.423 nan 8.310 nan 0.000 0.474 162 I N 3.143 123.782 120.570 0.114 0.000 3.067 162 I HA 0.550 4.720 4.170 -0.000 0.000 0.312 162 I C 0.766 176.926 176.117 0.073 0.000 1.073 162 I CA -0.892 60.456 61.300 0.080 0.000 1.016 162 I CB 1.094 39.117 38.000 0.038 0.000 1.227 162 I HN 0.769 nan 8.210 nan 0.000 0.456 163 N N 2.039 120.750 118.700 0.018 0.000 2.678 163 N HA -0.188 4.552 4.740 -0.000 0.000 0.249 163 N C 0.594 176.112 175.510 0.013 0.000 1.119 163 N CA 1.408 54.458 53.050 -0.000 0.000 0.718 163 N CB -1.156 37.319 38.487 -0.019 0.000 1.060 163 N HN 1.137 nan 8.380 nan 0.000 0.552 164 G N 0.375 109.187 108.800 0.020 0.000 2.415 164 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.283 164 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.283 164 G C 0.141 175.048 174.900 0.011 0.000 1.014 164 G CA 0.185 45.293 45.100 0.012 0.000 1.323 164 G HN 0.524 nan 8.290 nan 0.000 0.502 165 D N -1.369 119.040 120.400 0.014 0.000 3.067 165 D HA -0.186 4.454 4.640 -0.000 0.000 0.216 165 D C 1.622 177.927 176.300 0.007 0.000 1.162 165 D CA 1.807 55.807 54.000 -0.000 0.000 0.960 165 D CB -0.342 40.449 40.800 -0.016 0.000 1.129 165 D HN 0.747 nan 8.370 nan 0.000 0.408 166 K N -0.860 119.561 120.400 0.036 0.000 2.400 166 K HA 0.084 4.404 4.320 -0.000 0.000 0.194 166 K C 0.543 177.216 176.600 0.121 0.000 1.033 166 K CA 0.304 56.619 56.287 0.046 0.000 1.021 166 K CB 0.561 33.078 32.500 0.028 0.000 0.808 166 K HN 0.170 nan 8.250 nan 0.000 0.505 167 F N 1.558 121.483 119.950 -0.042 0.000 2.615 167 F HA 0.170 4.697 4.527 -0.000 0.000 0.312 167 F C -1.937 173.863 175.800 0.001 0.000 1.119 167 F CA -0.685 57.301 58.000 -0.023 0.000 0.979 167 F CB 1.530 40.489 39.000 -0.068 0.000 1.266 167 F HN -0.121 nan 8.300 nan 0.000 0.444 168 Q N 4.920 124.314 119.800 -0.675 0.000 2.435 168 Q HA 0.444 4.784 4.340 -0.000 0.000 0.282 168 Q C -2.328 173.450 176.000 -0.369 0.000 1.020 168 Q CA -1.060 54.519 55.803 -0.373 0.000 0.820 168 Q CB 3.102 31.724 28.738 -0.194 0.000 1.436 168 Q HN 0.707 nan 8.270 nan 0.000 0.395 169 Y N 0.373 120.519 120.300 -0.257 0.000 2.499 169 Y HA 0.675 5.225 4.550 -0.000 0.000 0.347 169 Y C -1.529 174.287 175.900 -0.140 0.000 0.987 169 Y CA -0.576 57.432 58.100 -0.153 0.000 1.044 169 Y CB 2.796 41.279 38.460 0.038 0.000 1.245 169 Y HN 0.757 nan 8.280 nan 0.000 0.461 170 T N 3.849 117.853 114.554 -0.917 0.000 2.949 170 T HA 0.402 4.752 4.350 -0.000 0.000 0.300 170 T C -0.142 173.996 174.700 -0.936 0.000 0.988 170 T CA -0.416 61.215 62.100 -0.781 0.000 0.993 170 T CB 1.096 69.700 68.868 -0.441 0.000 0.984 170 T HN 0.949 nan 8.240 nan 0.000 0.442 171 G N 2.224 110.595 108.800 -0.715 0.000 3.506 171 G HA2 0.505 4.465 3.960 -0.000 0.000 0.268 171 G HA3 0.505 4.465 3.960 -0.000 0.000 0.268 171 G C 0.416 175.238 174.900 -0.130 0.000 0.959 171 G CA -0.570 44.312 45.100 -0.363 0.000 1.823 171 G HN 0.980 nan 8.290 nan 0.000 0.615 172 A N 2.847 125.597 122.820 -0.117 0.000 2.454 172 A HA 0.671 4.991 4.320 -0.000 0.000 0.260 172 A C 0.347 177.878 177.584 -0.088 0.000 1.106 172 A CA -0.080 51.930 52.037 -0.044 0.000 0.780 172 A CB -0.012 18.957 19.000 -0.052 0.000 1.044 172 A HN 0.987 nan 8.150 nan 0.000 0.498 173 M N 1.805 121.367 119.600 -0.062 0.000 2.470 173 M HA 0.691 5.171 4.480 -0.000 0.000 0.285 173 M C -0.710 175.636 176.300 0.077 0.000 1.213 173 M CA -0.434 54.813 55.300 -0.089 0.000 0.901 173 M CB 1.924 34.568 32.600 0.074 0.000 1.718 173 M HN 0.499 nan 8.290 nan 0.000 0.469 174 T N -0.457 114.083 114.554 -0.023 0.000 2.883 174 T HA 0.484 4.834 4.350 -0.000 0.000 0.284 174 T C 0.961 175.779 174.700 0.196 0.000 1.041 174 T CA 0.109 62.295 62.100 0.145 0.000 1.007 174 T CB 1.497 70.248 68.868 -0.196 0.000 1.220 174 T HN 0.941 nan 8.240 nan 0.000 0.552 175 S N 0.268 115.757 115.700 -0.352 0.000 2.547 175 S HA 0.068 4.538 4.470 -0.000 0.000 0.235 175 S C 1.260 175.952 174.600 0.153 0.000 0.980 175 S CA 0.715 58.690 58.200 -0.376 0.000 0.941 175 S CB -0.282 62.515 63.200 -0.671 0.000 0.763 175 S HN 0.681 nan 8.310 nan 0.000 0.532 176 K N -0.289 120.279 120.400 0.280 0.000 2.462 176 K HA 0.322 4.642 4.320 -0.000 0.000 0.201 176 K C -0.207 176.754 176.600 0.601 0.000 1.268 176 K CA 0.188 56.756 56.287 0.469 0.000 0.933 176 K CB 0.807 33.511 32.500 0.340 0.000 1.162 176 K HN 0.588 nan 8.250 nan 0.000 0.527 177 F N -0.425 119.646 119.950 0.202 0.000 2.654 177 F HA 0.543 5.070 4.527 -0.000 0.000 0.308 177 F C -1.595 173.891 175.800 -0.523 0.000 1.108 177 F CA -1.688 56.183 58.000 -0.214 0.000 0.957 177 F CB 0.902 39.816 39.000 -0.144 0.000 1.309 177 F HN -0.296 nan 8.300 nan 0.000 0.446 178 L N 4.107 124.867 121.223 -0.772 0.000 2.331 178 L HA 0.759 5.099 4.340 -0.000 0.000 0.275 178 L C -1.110 175.764 176.870 0.006 0.000 1.022 178 L CA -0.715 53.817 54.840 -0.514 0.000 0.812 178 L CB 1.869 43.574 42.059 -0.590 0.000 1.257 178 L HN 0.923 nan 8.230 nan 0.000 0.435 179 M N 4.481 124.099 119.600 0.030 0.000 2.167 179 M HA 0.379 4.859 4.480 -0.000 0.000 0.218 179 M C -0.735 175.606 176.300 0.068 0.000 0.968 179 M CA -0.232 55.135 55.300 0.113 0.000 1.004 179 M CB 0.626 33.288 32.600 0.104 0.000 2.485 179 M HN 0.836 nan 8.290 nan 0.000 0.404 180 G N 2.180 111.085 108.800 0.175 0.000 2.444 180 G HA2 0.590 4.550 3.960 -0.000 0.000 0.268 180 G HA3 0.590 4.550 3.960 -0.000 0.000 0.268 180 G C -0.270 174.611 174.900 -0.031 0.000 1.203 180 G CA -0.104 45.067 45.100 0.117 0.000 0.835 180 G HN 0.628 nan 8.290 nan 0.000 0.543 181 T N -1.080 113.405 114.554 -0.114 0.000 2.861 181 T HA 0.583 4.933 4.350 -0.000 0.000 0.287 181 T C -1.086 173.529 174.700 -0.142 0.000 1.003 181 T CA -0.759 61.265 62.100 -0.127 0.000 0.977 181 T CB 1.363 70.235 68.868 0.007 0.000 0.996 181 T HN 0.325 nan 8.240 nan 0.000 0.448 182 Y N 1.323 121.608 120.300 -0.025 0.000 2.352 182 Y HA 0.697 5.247 4.550 -0.000 0.000 0.326 182 Y C 0.582 176.465 175.900 -0.029 0.000 1.166 182 Y CA -1.229 56.805 58.100 -0.109 0.000 1.182 182 Y CB 1.695 39.969 38.460 -0.309 0.000 1.216 182 Y HN 0.750 nan 8.280 nan 0.000 0.474 183 K N 3.492 123.900 120.400 0.014 0.000 2.652 183 K HA 0.401 4.721 4.320 -0.000 0.000 0.249 183 K C -1.226 175.319 176.600 -0.090 0.000 0.986 183 K CA -0.657 55.628 56.287 -0.004 0.000 0.867 183 K CB 1.300 33.732 32.500 -0.114 0.000 1.201 183 K HN 0.775 nan 8.250 nan 0.000 0.450 184 R N 2.771 123.331 120.500 0.100 0.000 2.873 184 R HA 0.678 5.018 4.340 -0.000 0.000 0.264 184 R C -1.412 174.923 176.300 0.058 0.000 1.026 184 R CA -0.704 55.479 56.100 0.138 0.000 1.002 184 R CB 1.914 32.307 30.300 0.155 0.000 1.174 184 R HN 0.333 nan 8.270 nan 0.000 0.488 185 V N 1.915 121.861 119.914 0.053 0.000 2.612 185 V HA 0.227 4.347 4.120 -0.000 0.000 0.301 185 V C -0.055 176.049 176.094 0.017 0.000 1.059 185 V CA -0.846 61.461 62.300 0.012 0.000 0.886 185 V CB 1.841 33.659 31.823 -0.009 0.000 1.007 185 V HN 0.911 nan 8.190 nan 0.000 0.426 186 T N 2.467 117.036 114.554 0.024 0.000 2.698 186 T HA 0.109 4.459 4.350 -0.000 0.000 0.295 186 T C 1.327 176.027 174.700 0.000 0.000 1.007 186 T CA -0.492 61.623 62.100 0.025 0.000 0.980 186 T CB 0.643 69.542 68.868 0.052 0.000 1.036 186 T HN 0.731 nan 8.240 nan 0.000 0.526 187 E N 0.291 120.490 120.200 -0.002 0.000 2.171 187 E HA -0.096 4.254 4.350 -0.000 0.000 0.197 187 E C 0.856 177.451 176.600 -0.009 0.000 0.997 187 E CA 1.234 57.629 56.400 -0.008 0.000 0.810 187 E CB -0.111 29.584 29.700 -0.008 0.000 0.738 187 E HN 0.491 nan 8.360 nan 0.000 0.467 188 K N -0.419 119.976 120.400 -0.008 0.000 2.179 188 K HA 0.316 4.636 4.320 -0.000 0.000 0.238 188 K C 1.175 177.760 176.600 -0.024 0.000 1.033 188 K CA 0.244 56.524 56.287 -0.013 0.000 0.926 188 K CB 0.788 33.282 32.500 -0.009 0.000 1.151 188 K HN 0.016 nan 8.250 nan 0.000 0.492 189 G N 1.028 109.812 108.800 -0.027 0.000 3.028 189 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.205 189 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.205 189 G C -0.333 174.531 174.900 -0.059 0.000 1.182 189 G CA 0.095 45.172 45.100 -0.037 0.000 0.860 189 G HN 0.541 nan 8.290 nan 0.000 0.507 190 D N 0.616 120.973 120.400 -0.071 0.000 2.450 190 D HA 0.153 4.793 4.640 -0.000 0.000 0.247 190 D C 0.151 176.333 176.300 -0.197 0.000 1.162 190 D CA 0.534 54.446 54.000 -0.147 0.000 0.879 190 D CB 0.976 41.694 40.800 -0.137 0.000 1.163 190 D HN 0.374 nan 8.370 nan 0.000 0.472 191 E N 2.586 122.643 120.200 -0.238 0.000 2.186 191 E HA 0.135 4.485 4.350 -0.000 0.000 0.255 191 E C -0.875 175.583 176.600 -0.237 0.000 0.881 191 E CA -0.730 55.559 56.400 -0.185 0.000 0.752 191 E CB 0.475 30.109 29.700 -0.109 0.000 1.176 191 E HN 0.400 nan 8.360 nan 0.000 0.421 192 H N 2.644 121.694 119.070 -0.033 0.000 2.467 192 H HA 0.385 4.941 4.556 -0.000 0.000 0.326 192 H C -0.308 174.946 175.328 -0.125 0.000 1.094 192 H CA -0.549 55.417 56.048 -0.137 0.000 1.253 192 H CB 1.534 31.266 29.762 -0.051 0.000 1.439 192 H HN 0.343 nan 8.280 nan 0.000 0.479 193 V N 2.086 121.814 119.914 -0.310 0.000 2.841 193 V HA 0.643 4.763 4.120 -0.000 0.000 0.310 193 V C -1.037 175.092 176.094 0.059 0.000 1.090 193 V CA -0.987 61.312 62.300 -0.001 0.000 0.930 193 V CB 2.165 33.879 31.823 -0.182 0.000 1.014 193 V HN 0.459 nan 8.190 nan 0.000 0.425 194 L N 3.550 124.766 121.223 -0.011 0.000 2.493 194 L HA 0.957 5.297 4.340 -0.000 0.000 0.265 194 L C -0.406 176.415 176.870 -0.082 0.000 0.954 194 L CA 0.107 54.891 54.840 -0.094 0.000 0.844 194 L CB 2.171 43.973 42.059 -0.427 0.000 1.302 194 L HN 1.178 nan 8.230 nan 0.000 0.405 195 S N 4.282 119.992 115.700 0.016 0.000 2.599 195 S HA 0.888 5.358 4.470 -0.000 0.000 0.294 195 S C -0.885 173.684 174.600 -0.051 0.000 1.094 195 S CA -0.912 57.264 58.200 -0.040 0.000 0.931 195 S CB 1.765 65.012 63.200 0.079 0.000 1.093 195 S HN 0.710 nan 8.310 nan 0.000 0.488 196 L N 1.534 122.666 121.223 -0.151 0.000 2.346 196 L HA 0.697 5.037 4.340 -0.000 0.000 0.276 196 L C -1.246 175.627 176.870 0.006 0.000 1.006 196 L CA -1.088 53.646 54.840 -0.175 0.000 0.817 196 L CB 2.074 43.741 42.059 -0.653 0.000 1.272 196 L HN 0.542 nan 8.230 nan 0.000 0.421 197 V N 2.561 122.549 119.914 0.122 0.000 2.444 197 V HA 0.430 4.550 4.120 -0.000 0.000 0.294 197 V C -0.751 175.543 176.094 0.334 0.000 1.022 197 V CA -0.554 61.872 62.300 0.211 0.000 0.850 197 V CB 1.645 33.544 31.823 0.127 0.000 0.992 197 V HN 0.462 nan 8.190 nan 0.000 0.426 198 F N 3.174 123.264 119.950 0.235 0.000 2.522 198 F HA 0.982 5.509 4.527 -0.000 0.000 0.324 198 F C 0.381 176.281 175.800 0.167 0.000 1.077 198 F CA 0.330 58.490 58.000 0.268 0.000 0.944 198 F CB 2.101 41.316 39.000 0.359 0.000 1.175 198 F HN 0.862 nan 8.300 nan 0.000 0.468 199 G N 3.543 111.911 108.800 -0.720 0.000 2.361 199 G HA2 0.120 4.080 3.960 -0.000 0.000 0.305 199 G HA3 0.120 4.080 3.960 -0.000 0.000 0.305 199 G C -1.886 172.914 174.900 -0.167 0.000 1.367 199 G CA -1.328 43.565 45.100 -0.345 0.000 0.951 199 G HN 0.656 nan 8.290 nan 0.000 0.615 200 K N 0.876 121.161 120.400 -0.192 0.000 2.447 200 K HA 0.237 4.557 4.320 -0.000 0.000 0.281 200 K C 1.622 178.073 176.600 -0.248 0.000 1.031 200 K CA 0.532 56.566 56.287 -0.421 0.000 1.019 200 K CB 0.641 32.931 32.500 -0.351 0.000 0.918 200 K HN 0.522 nan 8.250 nan 0.000 0.476 201 T N 2.771 117.185 114.554 -0.233 0.000 2.751 201 T HA -0.260 4.090 4.350 -0.000 0.000 0.268 201 T C 1.619 176.197 174.700 -0.204 0.000 1.045 201 T CA 2.057 64.031 62.100 -0.209 0.000 1.142 201 T CB -0.175 68.609 68.868 -0.140 0.000 0.851 201 T HN 0.653 nan 8.240 nan 0.000 0.474 202 K N 1.141 121.447 120.400 -0.158 0.000 2.365 202 K HA -0.012 4.308 4.320 -0.000 0.000 0.199 202 K C 1.248 177.792 176.600 -0.094 0.000 1.045 202 K CA 1.332 57.555 56.287 -0.107 0.000 0.962 202 K CB 0.153 32.604 32.500 -0.082 0.000 0.759 202 K HN 0.169 nan 8.250 nan 0.000 0.469 203 D N 0.419 120.753 120.400 -0.110 0.000 2.349 203 D HA 0.070 4.710 4.640 -0.000 0.000 0.214 203 D C -0.187 175.983 176.300 -0.218 0.000 1.063 203 D CA -0.105 53.852 54.000 -0.072 0.000 0.847 203 D CB 0.161 40.993 40.800 0.054 0.000 0.933 203 D HN 0.080 nan 8.370 nan 0.000 0.513 204 L N 2.110 123.132 121.223 -0.334 0.000 2.514 204 L HA 0.082 4.422 4.340 -0.000 0.000 0.280 204 L C -1.670 175.002 176.870 -0.331 0.000 1.223 204 L CA -0.635 53.891 54.840 -0.522 0.000 0.864 204 L CB -0.554 41.010 42.059 -0.824 0.000 1.118 204 L HN -0.178 nan 8.230 nan 0.000 0.494 205 P HA -0.031 nan 4.420 nan 0.000 0.272 205 P C -1.113 176.287 177.300 0.165 0.000 1.239 205 P CA -0.074 62.891 63.100 -0.224 0.000 0.807 205 P CB 0.349 31.755 31.700 -0.490 0.000 0.951 206 D N 0.529 121.049 120.400 0.200 0.000 2.277 206 D HA 0.196 4.836 4.640 -0.000 0.000 0.249 206 D C 0.112 176.625 176.300 0.355 0.000 1.134 206 D CA -0.082 54.084 54.000 0.276 0.000 0.863 206 D CB 0.534 41.475 40.800 0.237 0.000 1.143 206 D HN 0.184 nan 8.370 nan 0.000 0.458 207 L N 2.185 123.522 121.223 0.191 0.000 2.371 207 L HA 0.288 4.628 4.340 -0.000 0.000 0.272 207 L C 1.853 178.780 176.870 0.095 0.000 1.124 207 L CA -0.427 54.424 54.840 0.019 0.000 0.816 207 L CB 1.289 43.250 42.059 -0.163 0.000 1.129 207 L HN 0.314 nan 8.230 nan 0.000 0.448 208 R N 1.951 122.373 120.500 -0.129 0.000 1.967 208 R HA 0.148 4.488 4.340 -0.000 0.000 0.184 208 R C 1.066 177.320 176.300 -0.077 0.000 1.350 208 R CA 0.584 56.447 56.100 -0.395 0.000 1.232 208 R CB -0.530 29.376 30.300 -0.657 0.000 0.813 208 R HN 0.797 nan 8.270 nan 0.000 0.512 209 G N 0.504 109.290 108.800 -0.023 0.000 2.443 209 G HA2 0.009 3.969 3.960 -0.000 0.000 0.286 209 G HA3 0.009 3.969 3.960 -0.000 0.000 0.286 209 G C -2.037 172.705 174.900 -0.264 0.000 1.393 209 G CA -0.755 44.258 45.100 -0.145 0.000 1.080 209 G HN 0.359 nan 8.290 nan 0.000 0.566 210 P HA 0.199 nan 4.420 nan 0.000 0.238 210 P C -1.088 175.751 177.300 -0.768 0.000 1.679 210 P CA 0.425 63.169 63.100 -0.594 0.000 1.080 210 P CB -0.477 30.801 31.700 -0.704 0.000 1.961 211 F N 0.521 120.367 119.950 -0.174 0.000 2.520 211 F HA 0.455 4.982 4.527 -0.000 0.000 0.322 211 F C 0.441 176.149 175.800 -0.152 0.000 1.103 211 F CA -0.659 57.263 58.000 -0.130 0.000 0.926 211 F CB 1.758 40.640 39.000 -0.197 0.000 1.154 211 F HN -0.111 nan 8.300 nan 0.000 0.453 212 S N 1.878 117.641 115.700 0.105 0.000 2.647 212 S HA 0.340 4.809 4.470 -0.000 0.000 0.300 212 S C 0.273 174.900 174.600 0.045 0.000 1.129 212 S CA -0.722 57.501 58.200 0.039 0.000 1.029 212 S CB 0.545 63.771 63.200 0.043 0.000 1.007 212 S HN 0.645 nan 8.310 nan 0.000 0.484 213 Y N 2.738 123.070 120.300 0.053 0.000 2.173 213 Y HA -0.166 4.384 4.550 -0.000 0.000 0.282 213 Y C -0.226 175.677 175.900 0.005 0.000 1.192 213 Y CA 2.298 60.413 58.100 0.025 0.000 1.176 213 Y CB -1.253 37.220 38.460 0.022 0.000 0.969 213 Y HN 0.569 nan 8.280 nan 0.000 0.519 214 P HA -0.194 nan 4.420 nan 0.000 0.215 214 P C 1.258 178.583 177.300 0.042 0.000 1.157 214 P CA 2.363 65.513 63.100 0.083 0.000 0.874 214 P CB -0.267 31.470 31.700 0.061 0.000 0.790 215 S N -1.644 114.080 115.700 0.040 0.000 2.786 215 S HA 0.121 4.591 4.470 -0.000 0.000 0.223 215 S C 1.489 176.054 174.600 -0.058 0.000 0.956 215 S CA 0.195 58.393 58.200 -0.003 0.000 0.961 215 S CB -1.033 62.194 63.200 0.045 0.000 0.784 215 S HN 0.140 nan 8.310 nan 0.000 0.519 216 L N -0.361 120.851 121.223 -0.019 0.000 3.284 216 L HA 0.219 4.559 4.340 -0.000 0.000 0.294 216 L C -0.053 176.826 176.870 0.016 0.000 1.183 216 L CA 0.013 54.828 54.840 -0.041 0.000 1.056 216 L CB 0.498 42.544 42.059 -0.023 0.000 1.513 216 L HN 0.142 nan 8.230 nan 0.000 0.601 217 T N -0.848 113.730 114.554 0.039 0.000 2.869 217 T HA 0.114 4.464 4.350 -0.000 0.000 0.295 217 T C 0.947 175.620 174.700 -0.045 0.000 0.987 217 T CA 0.212 62.319 62.100 0.012 0.000 1.109 217 T CB 2.356 71.228 68.868 0.007 0.000 0.932 217 T HN -0.066 nan 8.240 nan 0.000 0.518 218 S N 1.263 116.921 115.700 -0.069 0.000 2.502 218 S HA 0.502 4.972 4.470 -0.000 0.000 0.228 218 S C 0.528 175.035 174.600 -0.156 0.000 1.061 218 S CA 0.050 58.203 58.200 -0.080 0.000 0.935 218 S CB 0.196 63.377 63.200 -0.032 0.000 0.809 218 S HN 0.895 nan 8.310 nan 0.000 0.510 219 A N 0.863 123.488 122.820 -0.325 0.000 2.422 219 A HA 0.763 5.083 4.320 -0.000 0.000 0.302 219 A C -0.971 176.221 177.584 -0.653 0.000 1.041 219 A CA -0.479 51.220 52.037 -0.563 0.000 0.708 219 A CB 1.525 19.938 19.000 -0.977 0.000 1.257 219 A HN 0.346 nan 8.150 nan 0.000 0.414 220 Q N 1.414 121.046 119.800 -0.280 0.000 2.305 220 Q HA 0.657 4.997 4.340 -0.000 0.000 0.271 220 Q C -0.763 175.362 176.000 0.208 0.000 1.046 220 Q CA -0.392 55.400 55.803 -0.019 0.000 0.798 220 Q CB 2.062 30.797 28.738 -0.005 0.000 1.286 220 Q HN 0.794 nan 8.270 nan 0.000 0.435 221 S N 0.745 116.669 115.700 0.374 0.000 2.623 221 S HA 0.461 4.931 4.470 -0.000 0.000 0.287 221 S C 0.918 175.631 174.600 0.188 0.000 1.123 221 S CA -0.099 58.301 58.200 0.333 0.000 1.016 221 S CB 0.723 64.182 63.200 0.432 0.000 1.233 221 S HN 0.842 nan 8.310 nan 0.000 0.512 222 G N 0.149 109.038 108.800 0.148 0.000 2.534 222 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.217 222 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.217 222 G C -0.098 174.819 174.900 0.028 0.000 1.128 222 G CA 0.977 46.122 45.100 0.076 0.000 0.784 222 G HN 0.749 nan 8.290 nan 0.000 0.542 223 D N -2.972 117.438 120.400 0.017 0.000 2.619 223 D HA 0.146 4.786 4.640 -0.000 0.000 0.300 223 D C -0.665 175.469 176.300 -0.277 0.000 1.502 223 D CA -0.621 53.297 54.000 -0.137 0.000 0.865 223 D CB -0.328 40.341 40.800 -0.218 0.000 1.343 223 D HN 0.225 nan 8.370 nan 0.000 0.447 224 Y N 0.643 120.994 120.300 0.085 0.000 2.446 224 Y HA 0.731 5.281 4.550 -0.000 0.000 0.345 224 Y C -0.016 176.050 175.900 0.278 0.000 0.984 224 Y CA -0.798 57.374 58.100 0.120 0.000 1.058 224 Y CB 2.540 41.084 38.460 0.140 0.000 1.220 224 Y HN -0.202 nan 8.280 nan 0.000 0.455 225 S N 2.275 118.191 115.700 0.359 0.000 2.595 225 S HA 0.667 5.137 4.470 -0.000 0.000 0.281 225 S C -2.041 172.709 174.600 0.249 0.000 1.117 225 S CA -0.690 57.606 58.200 0.160 0.000 0.873 225 S CB 2.175 65.351 63.200 -0.041 0.000 1.108 225 S HN 0.445 nan 8.310 nan 0.000 0.477 226 L N 2.637 123.876 121.223 0.027 0.000 2.427 226 L HA 0.594 4.934 4.340 -0.000 0.000 0.264 226 L C -1.321 175.585 176.870 0.061 0.000 0.989 226 L CA -0.334 54.601 54.840 0.158 0.000 0.865 226 L CB 0.975 43.076 42.059 0.071 0.000 1.209 226 L HN 0.486 nan 8.230 nan 0.000 0.430 227 V N 5.367 125.348 119.914 0.112 0.000 2.644 227 V HA 0.464 4.584 4.120 -0.000 0.000 0.295 227 V C 0.284 176.440 176.094 0.105 0.000 1.053 227 V CA -0.425 61.947 62.300 0.120 0.000 0.987 227 V CB 1.730 33.688 31.823 0.225 0.000 1.006 227 V HN 0.534 nan 8.190 nan 0.000 0.472 228 I N 3.777 124.399 120.570 0.088 0.000 2.405 228 I HA 0.328 4.498 4.170 -0.000 0.000 0.280 228 I C -0.700 175.468 176.117 0.086 0.000 1.027 228 I CA -0.496 60.866 61.300 0.104 0.000 1.161 228 I CB 1.516 39.618 38.000 0.169 0.000 1.300 228 I HN 0.275 nan 8.210 nan 0.000 0.463 229 V N 5.101 125.065 119.914 0.083 0.000 2.333 229 V HA 0.608 4.728 4.120 -0.000 0.000 0.274 229 V C 0.157 176.310 176.094 0.098 0.000 1.028 229 V CA -0.031 62.288 62.300 0.033 0.000 0.851 229 V CB 1.075 32.928 31.823 0.050 0.000 1.000 229 V HN 0.839 nan 8.190 nan 0.000 0.456 230 T N 2.718 117.322 114.554 0.082 0.000 2.770 230 T HA 0.423 4.773 4.350 -0.000 0.000 0.323 230 T C -0.425 174.344 174.700 0.115 0.000 1.683 230 T CA 0.121 62.317 62.100 0.159 0.000 1.024 230 T CB 1.883 70.866 68.868 0.192 0.000 1.557 230 T HN 0.874 nan 8.240 nan 0.000 0.494 231 T N 0.654 115.341 114.554 0.221 0.000 2.918 231 T HA 0.557 4.907 4.350 -0.000 0.000 0.283 231 T C 1.065 175.823 174.700 0.097 0.000 1.001 231 T CA -0.480 61.682 62.100 0.104 0.000 1.041 231 T CB 0.606 69.547 68.868 0.121 0.000 1.028 231 T HN 0.404 nan 8.240 nan 0.000 0.511 232 F N 1.120 121.162 119.950 0.152 0.000 2.134 232 F HA -0.043 4.484 4.527 -0.000 0.000 0.299 232 F C 2.675 178.540 175.800 0.109 0.000 1.097 232 F CA 1.070 59.161 58.000 0.152 0.000 1.264 232 F CB -1.044 38.017 39.000 0.101 0.000 1.001 232 F HN 0.426 nan 8.300 nan 0.000 0.479 233 V N -0.443 119.595 119.914 0.208 0.000 2.324 233 V HA -0.332 3.788 4.120 -0.000 0.000 0.250 233 V C 2.417 178.554 176.094 0.071 0.000 1.060 233 V CA 2.165 64.506 62.300 0.068 0.000 1.042 233 V CB -0.867 30.911 31.823 -0.076 0.000 0.650 233 V HN 0.368 nan 8.190 nan 0.000 0.450 234 H N -1.483 117.735 119.070 0.247 0.000 2.307 234 H HA -0.095 4.461 4.556 -0.000 0.000 0.303 234 H C 2.194 177.652 175.328 0.216 0.000 1.073 234 H CA 1.800 58.002 56.048 0.257 0.000 1.338 234 H CB -0.695 29.293 29.762 0.377 0.000 1.389 234 H HN 0.499 nan 8.280 nan 0.000 0.503 235 Y N 1.803 122.221 120.300 0.197 0.000 2.228 235 Y HA -0.295 4.255 4.550 -0.000 0.000 0.285 235 Y C 2.526 178.454 175.900 0.046 0.000 1.178 235 Y CA 1.260 59.370 58.100 0.017 0.000 1.202 235 Y CB -0.376 37.875 38.460 -0.349 0.000 0.974 235 Y HN 0.204 nan 8.280 nan 0.000 0.527 236 A N 0.165 123.016 122.820 0.051 0.000 1.841 236 A HA -0.246 4.074 4.320 -0.000 0.000 0.214 236 A C 2.148 179.652 177.584 -0.132 0.000 1.195 236 A CA 1.782 53.792 52.037 -0.045 0.000 0.611 236 A CB -1.162 17.846 19.000 0.013 0.000 0.835 236 A HN 0.581 nan 8.150 nan 0.000 0.443 237 N N -1.621 116.954 118.700 -0.209 0.000 2.348 237 N HA -0.135 4.605 4.740 -0.000 0.000 0.185 237 N C 1.163 176.443 175.510 -0.384 0.000 1.019 237 N CA 1.550 54.394 53.050 -0.342 0.000 0.880 237 N CB -0.314 37.691 38.487 -0.804 0.000 0.965 237 N HN 0.394 nan 8.380 nan 0.000 0.437 238 F N -0.631 119.102 119.950 -0.362 0.000 2.317 238 F HA 0.105 4.632 4.527 -0.000 0.000 0.293 238 F C 2.359 177.741 175.800 -0.697 0.000 1.085 238 F CA 0.698 58.328 58.000 -0.616 0.000 1.390 238 F CB -0.577 38.225 39.000 -0.331 0.000 1.077 238 F HN 0.266 nan 8.300 nan 0.000 0.517 239 H N 0.407 119.195 119.070 -0.469 0.000 2.543 239 H HA -0.091 4.465 4.556 -0.000 0.000 0.286 239 H C 1.388 176.537 175.328 -0.297 0.000 1.037 239 H CA 0.857 56.617 56.048 -0.481 0.000 1.250 239 H CB -0.070 29.333 29.762 -0.599 0.000 1.373 239 H HN 0.209 nan 8.280 nan 0.000 0.580 240 N N 0.234 118.825 118.700 -0.181 0.000 2.354 240 N HA -0.128 4.612 4.740 -0.000 0.000 0.179 240 N C 0.747 176.256 175.510 -0.002 0.000 1.021 240 N CA 1.179 54.202 53.050 -0.046 0.000 0.887 240 N CB 0.083 38.589 38.487 0.032 0.000 0.974 240 N HN 0.653 nan 8.380 nan 0.000 0.437 241 Y N -3.774 116.500 120.300 -0.043 0.000 2.666 241 Y HA 0.425 4.975 4.550 -0.000 0.000 0.260 241 Y C -0.609 175.320 175.900 0.049 0.000 1.089 241 Y CA -1.035 57.044 58.100 -0.034 0.000 1.246 241 Y CB -0.233 38.188 38.460 -0.065 0.000 1.353 241 Y HN -0.204 nan 8.280 nan 0.000 0.558 242 F N 2.199 121.888 119.950 -0.435 0.000 2.771 242 F HA 0.686 5.213 4.527 -0.000 0.000 0.365 242 F C -1.503 174.077 175.800 -0.367 0.000 1.169 242 F CA -1.990 55.812 58.000 -0.329 0.000 1.093 242 F CB 1.512 40.302 39.000 -0.350 0.000 1.363 242 F HN -0.169 nan 8.300 nan 0.000 0.496 243 V N 7.606 127.140 119.914 -0.633 0.000 2.260 243 V HA 0.295 4.415 4.120 -0.000 0.000 0.263 243 V C -1.997 173.763 176.094 -0.558 0.000 1.036 243 V CA -1.249 60.675 62.300 -0.627 0.000 0.874 243 V CB 0.360 31.906 31.823 -0.462 0.000 1.116 243 V HN 0.547 nan 8.190 nan 0.000 0.454 244 P HA 0.067 nan 4.420 nan 0.000 0.269 244 P C -0.095 177.087 177.300 -0.196 0.000 1.209 244 P CA -0.087 62.712 63.100 -0.501 0.000 0.776 244 P CB 0.930 32.265 31.700 -0.607 0.000 0.876 245 N N 2.534 121.196 118.700 -0.064 0.000 3.303 245 N HA 0.043 4.783 4.740 -0.000 0.000 0.304 245 N C 1.399 176.946 175.510 0.061 0.000 1.302 245 N CA -0.119 52.934 53.050 0.005 0.000 1.213 245 N CB -0.636 37.872 38.487 0.035 0.000 1.481 245 N HN 0.351 nan 8.380 nan 0.000 0.546 246 L N 0.557 121.809 121.223 0.049 0.000 2.151 246 L HA -0.347 3.993 4.340 -0.000 0.000 0.219 246 L C 2.259 179.225 176.870 0.161 0.000 1.083 246 L CA 1.635 56.537 54.840 0.105 0.000 0.782 246 L CB -0.383 41.710 42.059 0.057 0.000 0.891 246 L HN 0.359 nan 8.230 nan 0.000 0.439 247 K N 0.040 120.512 120.400 0.121 0.000 1.971 247 K HA -0.205 4.115 4.320 -0.000 0.000 0.221 247 K C 1.785 178.493 176.600 0.181 0.000 1.050 247 K CA 2.050 58.425 56.287 0.145 0.000 0.967 247 K CB -0.441 32.117 32.500 0.096 0.000 0.733 247 K HN 0.272 nan 8.250 nan 0.000 0.445 248 D N 0.621 121.097 120.400 0.127 0.000 2.144 248 D HA -0.171 4.469 4.640 -0.000 0.000 0.199 248 D C 1.802 178.176 176.300 0.123 0.000 0.984 248 D CA 1.074 55.135 54.000 0.102 0.000 0.834 248 D CB -0.227 40.618 40.800 0.075 0.000 0.955 248 D HN 0.192 nan 8.370 nan 0.000 0.465 249 M N -0.675 119.030 119.600 0.174 0.000 2.202 249 M HA -0.188 4.292 4.480 -0.000 0.000 0.262 249 M C 1.837 178.269 176.300 0.221 0.000 1.063 249 M CA 1.259 56.694 55.300 0.226 0.000 1.097 249 M CB -0.007 32.756 32.600 0.272 0.000 1.382 249 M HN 0.008 nan 8.290 nan 0.000 0.413 250 F N 0.156 120.156 119.950 0.083 0.000 2.094 250 F HA -0.063 4.464 4.527 -0.000 0.000 0.291 250 F C 2.274 178.078 175.800 0.007 0.000 1.109 250 F CA 1.770 59.806 58.000 0.060 0.000 1.221 250 F CB -0.766 38.312 39.000 0.130 0.000 1.014 250 F HN 0.102 nan 8.300 nan 0.000 0.473 251 S N 0.788 116.493 115.700 0.007 0.000 2.369 251 S HA -0.296 4.174 4.470 -0.000 0.000 0.225 251 S C 2.138 176.618 174.600 -0.199 0.000 1.043 251 S CA 1.760 59.890 58.200 -0.117 0.000 1.074 251 S CB -0.641 62.572 63.200 0.022 0.000 0.962 251 S HN 0.352 nan 8.310 nan 0.000 0.433 252 R N 0.920 121.347 120.500 -0.122 0.000 2.139 252 R HA -0.092 4.248 4.340 -0.000 0.000 0.243 252 R C 2.083 178.261 176.300 -0.203 0.000 1.145 252 R CA 1.224 57.250 56.100 -0.124 0.000 0.976 252 R CB -0.355 29.866 30.300 -0.132 0.000 0.866 252 R HN 0.426 nan 8.270 nan 0.000 0.449 253 A N -0.658 121.935 122.820 -0.378 0.000 2.208 253 A HA 0.053 4.373 4.320 -0.000 0.000 0.209 253 A C 1.618 178.758 177.584 -0.741 0.000 1.161 253 A CA 0.560 52.090 52.037 -0.846 0.000 0.782 253 A CB 0.383 18.817 19.000 -0.944 0.000 0.816 253 A HN 0.180 nan 8.150 nan 0.000 0.477 254 V N -0.932 118.650 119.914 -0.553 0.000 2.840 254 V HA 0.008 4.128 4.120 -0.000 0.000 0.234 254 V C 1.376 177.297 176.094 -0.289 0.000 1.159 254 V CA 1.426 63.432 62.300 -0.491 0.000 1.194 254 V CB -0.309 31.157 31.823 -0.594 0.000 0.971 254 V HN 0.560 nan 8.190 nan 0.000 0.494 255 T N 0.382 114.810 114.554 -0.210 0.000 3.414 255 T HA 0.646 4.996 4.350 -0.000 0.000 0.304 255 T C -0.580 174.070 174.700 -0.082 0.000 1.241 255 T CA 0.125 62.162 62.100 -0.105 0.000 1.076 255 T CB -0.106 68.724 68.868 -0.064 0.000 1.134 255 T HN 0.287 nan 8.240 nan 0.000 0.759 256 M N 2.695 122.256 119.600 -0.066 0.000 2.363 256 M HA 0.201 4.681 4.480 -0.000 0.000 0.256 256 M C -0.255 176.065 176.300 0.034 0.000 1.005 256 M CA -0.299 54.997 55.300 -0.007 0.000 0.890 256 M CB 1.816 34.425 32.600 0.015 0.000 2.101 256 M HN 0.566 nan 8.290 nan 0.000 0.476 257 T N 2.607 117.216 114.554 0.092 0.000 2.946 257 T HA 0.350 4.700 4.350 -0.000 0.000 0.311 257 T C 1.221 176.025 174.700 0.173 0.000 1.063 257 T CA 0.934 63.137 62.100 0.171 0.000 1.139 257 T CB 0.958 69.957 68.868 0.219 0.000 0.994 257 T HN 0.834 nan 8.240 nan 0.000 0.547 258 A N 4.949 127.908 122.820 0.232 0.000 1.869 258 A HA -0.034 4.286 4.320 -0.000 0.000 0.218 258 A C 2.779 180.386 177.584 0.039 0.000 1.203 258 A CA 2.713 54.836 52.037 0.144 0.000 0.638 258 A CB -1.671 17.462 19.000 0.222 0.000 0.831 258 A HN 1.427 nan 8.150 nan 0.000 0.450 259 A N -0.984 121.783 122.820 -0.087 0.000 1.917 259 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 259 A C 2.477 180.058 177.584 -0.004 0.000 1.182 259 A CA 2.417 54.374 52.037 -0.133 0.000 0.633 259 A CB -1.007 17.857 19.000 -0.227 0.000 0.819 259 A HN 0.510 nan 8.150 nan 0.000 0.448 260 S N -1.946 113.789 115.700 0.060 0.000 2.348 260 S HA -0.157 4.313 4.470 -0.000 0.000 0.221 260 S C 1.862 176.547 174.600 0.142 0.000 1.033 260 S CA 1.442 59.698 58.200 0.095 0.000 1.010 260 S CB -0.585 62.675 63.200 0.100 0.000 0.891 260 S HN 0.660 nan 8.310 nan 0.000 0.442 261 Y N 2.444 122.767 120.300 0.038 0.000 2.207 261 Y HA -0.203 4.347 4.550 -0.000 0.000 0.287 261 Y C 2.414 178.370 175.900 0.093 0.000 1.156 261 Y CA 0.877 59.027 58.100 0.083 0.000 1.182 261 Y CB -0.785 37.688 38.460 0.021 0.000 0.979 261 Y HN 0.227 nan 8.280 nan 0.000 0.521 262 A N 0.194 123.054 122.820 0.067 0.000 1.908 262 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 262 A C 2.345 179.871 177.584 -0.096 0.000 1.181 262 A CA 2.100 54.096 52.037 -0.068 0.000 0.627 262 A CB -0.771 18.150 19.000 -0.132 0.000 0.818 262 A HN 0.536 nan 8.150 nan 0.000 0.445 263 R N -2.060 118.420 120.500 -0.034 0.000 2.093 263 R HA -0.129 4.211 4.340 -0.000 0.000 0.224 263 R C 2.086 178.361 176.300 -0.042 0.000 1.101 263 R CA 1.515 57.603 56.100 -0.020 0.000 0.979 263 R CB -0.577 29.746 30.300 0.038 0.000 0.877 263 R HN 0.591 nan 8.270 nan 0.000 0.441 264 Y N 0.499 120.724 120.300 -0.125 0.000 2.193 264 Y HA -0.236 4.314 4.550 -0.000 0.000 0.285 264 Y C 1.643 177.431 175.900 -0.186 0.000 1.166 264 Y CA 1.808 59.819 58.100 -0.148 0.000 1.181 264 Y CB -0.391 37.954 38.460 -0.191 0.000 0.976 264 Y HN -0.090 nan 8.280 nan 0.000 0.520 265 V N 0.044 119.633 119.914 -0.541 0.000 2.346 265 V HA -0.226 3.894 4.120 -0.000 0.000 0.244 265 V C 2.411 178.319 176.094 -0.310 0.000 1.037 265 V CA 1.524 63.496 62.300 -0.547 0.000 1.029 265 V CB -0.861 30.745 31.823 -0.363 0.000 0.663 265 V HN 0.486 nan 8.190 nan 0.000 0.454 266 L N 0.039 121.144 121.223 -0.195 0.000 2.043 266 L HA -0.277 4.063 4.340 -0.000 0.000 0.212 266 L C 2.504 179.304 176.870 -0.117 0.000 1.075 266 L CA 2.083 56.854 54.840 -0.115 0.000 0.752 266 L CB -0.503 41.517 42.059 -0.064 0.000 0.891 266 L HN 0.376 nan 8.230 nan 0.000 0.432 267 Q N -0.945 118.769 119.800 -0.142 0.000 2.046 267 Q HA -0.232 4.108 4.340 -0.000 0.000 0.200 267 Q C 2.325 178.239 176.000 -0.143 0.000 0.975 267 Q CA 1.562 57.297 55.803 -0.114 0.000 0.836 267 Q CB -0.200 28.488 28.738 -0.082 0.000 0.896 267 Q HN 0.466 nan 8.270 nan 0.000 0.428 268 K N 0.642 120.889 120.400 -0.256 0.000 2.113 268 K HA -0.157 4.163 4.320 -0.000 0.000 0.208 268 K C 2.034 178.555 176.600 -0.132 0.000 1.047 268 K CA 1.027 57.174 56.287 -0.235 0.000 0.928 268 K CB -0.057 32.203 32.500 -0.399 0.000 0.716 268 K HN 0.179 nan 8.250 nan 0.000 0.446 269 L N 0.042 121.189 121.223 -0.126 0.000 2.027 269 L HA -0.170 4.170 4.340 -0.000 0.000 0.206 269 L C 2.300 179.119 176.870 -0.086 0.000 1.074 269 L CA 0.767 55.555 54.840 -0.087 0.000 0.745 269 L CB -0.548 41.457 42.059 -0.090 0.000 0.898 269 L HN -0.013 nan 8.230 nan 0.000 0.433 270 V N 0.468 120.333 119.914 -0.082 0.000 2.317 270 V HA -0.333 3.787 4.120 -0.000 0.000 0.251 270 V C 2.488 178.553 176.094 -0.049 0.000 1.065 270 V CA 2.044 64.304 62.300 -0.067 0.000 1.049 270 V CB -0.554 31.241 31.823 -0.046 0.000 0.651 270 V HN 0.360 nan 8.190 nan 0.000 0.450 271 L N -0.416 120.782 121.223 -0.041 0.000 1.970 271 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 271 L C 2.223 179.081 176.870 -0.020 0.000 1.071 271 L CA 2.006 56.834 54.840 -0.021 0.000 0.751 271 L CB -0.592 41.454 42.059 -0.021 0.000 0.889 271 L HN 0.169 nan 8.230 nan 0.000 0.432 272 L N -0.012 121.196 121.223 -0.024 0.000 2.127 272 L HA -0.227 4.113 4.340 -0.000 0.000 0.211 272 L C 2.587 179.440 176.870 -0.028 0.000 1.089 272 L CA 1.823 56.657 54.840 -0.010 0.000 0.757 272 L CB -0.910 41.159 42.059 0.017 0.000 0.899 272 L HN 0.482 nan 8.230 nan 0.000 0.434 273 E N -0.673 119.492 120.200 -0.060 0.000 2.047 273 E HA -0.220 4.130 4.350 -0.000 0.000 0.191 273 E C 2.219 178.785 176.600 -0.056 0.000 0.987 273 E CA 1.133 57.484 56.400 -0.082 0.000 0.799 273 E CB -0.073 29.558 29.700 -0.114 0.000 0.752 273 E HN 0.442 nan 8.360 nan 0.000 0.449 274 M N 0.097 119.675 119.600 -0.038 0.000 2.460 274 M HA -0.101 4.379 4.480 -0.000 0.000 0.263 274 M C 1.574 177.871 176.300 -0.006 0.000 1.071 274 M CA 1.036 56.328 55.300 -0.014 0.000 1.096 274 M CB 0.112 32.720 32.600 0.013 0.000 1.408 274 M HN -0.102 nan 8.290 nan 0.000 0.463 275 K N -0.080 120.315 120.400 -0.008 0.000 2.458 275 K HA 0.143 4.463 4.320 -0.000 0.000 0.194 275 K C 1.101 177.697 176.600 -0.006 0.000 1.024 275 K CA 0.430 56.716 56.287 -0.002 0.000 1.108 275 K CB 0.184 32.685 32.500 0.002 0.000 0.846 275 K HN 0.492 nan 8.250 nan 0.000 0.518 276 G N 0.898 109.690 108.800 -0.014 0.000 2.189 276 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.267 276 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.267 276 G C 0.795 175.691 174.900 -0.006 0.000 0.975 276 G CA 0.260 45.350 45.100 -0.016 0.000 0.644 276 G HN 0.475 nan 8.290 nan 0.000 0.537 277 G N -0.838 107.964 108.800 0.004 0.000 2.807 277 G HA2 0.092 4.052 3.960 -0.000 0.000 0.207 277 G HA3 0.092 4.052 3.960 -0.000 0.000 0.207 277 G C 1.225 176.166 174.900 0.069 0.000 1.151 277 G CA 1.466 46.590 45.100 0.040 0.000 0.800 277 G HN 0.743 nan 8.290 nan 0.000 0.523 278 c N -0.770 117.828 118.600 -0.004 0.000 2.974 278 c HA 0.421 4.991 4.570 -0.000 0.000 0.282 278 c C 1.950 176.034 174.090 -0.009 0.000 1.292 278 c CA -0.381 55.920 56.329 -0.046 0.000 1.710 278 c CB -0.581 41.845 42.510 -0.140 0.000 2.036 278 c HN 0.537 nan 8.230 nan 0.000 0.629 279 R N -0.381 120.124 120.500 0.009 0.000 2.637 279 R HA 0.108 4.448 4.340 -0.000 0.000 0.262 279 R C -0.060 176.246 176.300 0.011 0.000 0.959 279 R CA 0.105 56.208 56.100 0.005 0.000 1.061 279 R CB 0.415 30.708 30.300 -0.012 0.000 1.610 279 R HN 0.189 nan 8.270 nan 0.000 0.548 280 E N 1.352 121.560 120.200 0.014 0.000 4.044 280 E HA 0.216 4.566 4.350 -0.000 0.000 0.216 280 E C -2.617 173.986 176.600 0.006 0.000 1.104 280 E CA -1.737 54.663 56.400 0.000 0.000 1.383 280 E CB 1.389 31.083 29.700 -0.010 0.000 1.195 280 E HN -0.024 nan 8.360 nan 0.000 0.442 281 P HA -0.112 nan 4.420 nan 0.000 0.242 281 P C -0.087 177.172 177.300 -0.068 0.000 1.116 281 P CA 0.550 63.673 63.100 0.039 0.000 0.954 281 P CB 0.011 31.736 31.700 0.042 0.000 0.908 282 E N 2.779 122.944 120.200 -0.058 0.000 2.324 282 E HA 0.103 4.453 4.350 -0.000 0.000 0.271 282 E C -0.138 176.349 176.600 -0.188 0.000 1.028 282 E CA -0.015 56.320 56.400 -0.108 0.000 0.890 282 E CB 0.179 29.842 29.700 -0.061 0.000 1.004 282 E HN 0.349 nan 8.360 nan 0.000 0.431 283 L N 5.557 126.611 121.223 -0.283 0.000 2.423 283 L HA 0.219 4.559 4.340 -0.000 0.000 0.249 283 L C -0.514 176.211 176.870 -0.242 0.000 1.276 283 L CA -0.309 54.271 54.840 -0.434 0.000 1.199 283 L CB -0.654 40.988 42.059 -0.695 0.000 1.407 283 L HN 0.556 nan 8.230 nan 0.000 0.410 284 D N -2.734 117.601 120.400 -0.109 0.000 2.497 284 D HA 0.299 4.939 4.640 -0.000 0.000 0.243 284 D C 1.274 177.634 176.300 0.100 0.000 1.039 284 D CA -0.271 53.741 54.000 0.020 0.000 1.052 284 D CB 0.703 41.504 40.800 0.001 0.000 1.344 284 D HN 0.100 nan 8.370 nan 0.000 0.553 285 T N -2.578 112.060 114.554 0.140 0.000 2.665 285 T HA -0.300 4.050 4.350 -0.000 0.000 0.268 285 T C 1.511 176.311 174.700 0.167 0.000 1.035 285 T CA 1.763 63.978 62.100 0.192 0.000 1.151 285 T CB -0.665 68.212 68.868 0.015 0.000 0.862 285 T HN 0.618 nan 8.240 nan 0.000 0.438 286 E N 0.935 121.187 120.200 0.088 0.000 2.023 286 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 286 E C 2.350 179.000 176.600 0.082 0.000 1.003 286 E CA 1.915 58.362 56.400 0.077 0.000 0.809 286 E CB -0.514 29.214 29.700 0.046 0.000 0.755 286 E HN 0.577 nan 8.360 nan 0.000 0.449 287 T N 1.207 115.791 114.554 0.050 0.000 2.720 287 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 287 T C 1.822 176.528 174.700 0.010 0.000 1.037 287 T CA 1.238 63.357 62.100 0.032 0.000 1.144 287 T CB -0.228 68.623 68.868 -0.028 0.000 0.864 287 T HN 0.069 nan 8.240 nan 0.000 0.444 288 L N 0.675 121.885 121.223 -0.021 0.000 2.093 288 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 288 L C 2.791 179.712 176.870 0.085 0.000 1.085 288 L CA 1.570 56.327 54.840 -0.138 0.000 0.755 288 L CB -1.029 40.735 42.059 -0.491 0.000 0.904 288 L HN 0.235 nan 8.230 nan 0.000 0.435 289 T N -1.334 113.388 114.554 0.280 0.000 2.652 289 T HA -0.225 4.125 4.350 -0.000 0.000 0.267 289 T C 1.881 176.738 174.700 0.263 0.000 1.039 289 T CA 2.134 64.445 62.100 0.352 0.000 1.153 289 T CB -0.560 68.469 68.868 0.267 0.000 0.863 289 T HN 0.618 nan 8.240 nan 0.000 0.428 290 T N 1.333 115.982 114.554 0.158 0.000 2.699 290 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 290 T C 2.014 176.794 174.700 0.133 0.000 1.036 290 T CA 1.495 63.655 62.100 0.100 0.000 1.147 290 T CB -0.715 68.190 68.868 0.062 0.000 0.862 290 T HN 0.282 nan 8.240 nan 0.000 0.446 291 M N 0.174 119.852 119.600 0.130 0.000 2.082 291 M HA 0.003 4.483 4.480 -0.000 0.000 0.258 291 M C 2.165 178.564 176.300 0.166 0.000 1.071 291 M CA 2.305 57.669 55.300 0.107 0.000 1.103 291 M CB -0.708 31.825 32.600 -0.111 0.000 1.307 291 M HN 0.302 nan 8.290 nan 0.000 0.409 292 F N 1.423 121.334 119.950 -0.065 0.000 2.126 292 F HA -0.215 4.312 4.527 -0.000 0.000 0.299 292 F C 2.152 178.094 175.800 0.237 0.000 1.096 292 F CA 1.812 59.875 58.000 0.105 0.000 1.255 292 F CB -0.412 38.661 39.000 0.121 0.000 0.997 292 F HN 0.201 nan 8.300 nan 0.000 0.479 293 E N -0.400 119.860 120.200 0.099 0.000 2.150 293 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 293 E C 2.388 179.047 176.600 0.097 0.000 0.985 293 E CA 1.298 57.737 56.400 0.065 0.000 0.814 293 E CB -0.388 29.380 29.700 0.114 0.000 0.752 293 E HN 0.330 nan 8.360 nan 0.000 0.466 294 V N 1.784 121.775 119.914 0.127 0.000 2.407 294 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 294 V C 2.571 178.844 176.094 0.298 0.000 1.055 294 V CA 2.158 64.573 62.300 0.191 0.000 1.049 294 V CB -0.491 31.460 31.823 0.214 0.000 0.662 294 V HN 0.363 nan 8.190 nan 0.000 0.455 295 S N -0.662 115.182 115.700 0.240 0.000 2.414 295 S HA -0.092 4.378 4.470 -0.000 0.000 0.227 295 S C 1.901 176.640 174.600 0.230 0.000 1.022 295 S CA 1.221 59.551 58.200 0.217 0.000 0.958 295 S CB -0.247 63.065 63.200 0.186 0.000 0.797 295 S HN 0.316 nan 8.310 nan 0.000 0.493 296 V N 2.568 122.529 119.914 0.077 0.000 2.427 296 V HA -0.086 4.034 4.120 -0.000 0.000 0.248 296 V C 3.107 179.379 176.094 0.297 0.000 1.051 296 V CA 1.517 63.875 62.300 0.096 0.000 1.048 296 V CB -1.494 30.200 31.823 -0.215 0.000 0.666 296 V HN 0.650 nan 8.190 nan 0.000 0.456 297 A N -0.424 122.650 122.820 0.424 0.000 1.902 297 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 297 A C 2.033 179.704 177.584 0.144 0.000 1.181 297 A CA 1.830 54.089 52.037 0.370 0.000 0.623 297 A CB -0.666 18.450 19.000 0.193 0.000 0.818 297 A HN 0.469 nan 8.150 nan 0.000 0.443 298 F N -1.691 118.320 119.950 0.101 0.000 2.206 298 F HA -0.018 4.509 4.527 -0.000 0.000 0.298 298 F C 1.970 177.843 175.800 0.122 0.000 1.090 298 F CA 1.305 59.331 58.000 0.044 0.000 1.323 298 F CB -0.510 38.507 39.000 0.028 0.000 1.028 298 F HN 0.363 nan 8.300 nan 0.000 0.492 299 F N 1.229 121.321 119.950 0.236 0.000 2.102 299 F HA -0.179 4.348 4.527 -0.000 0.000 0.298 299 F C 2.312 178.243 175.800 0.219 0.000 1.105 299 F CA 1.546 59.678 58.000 0.220 0.000 1.239 299 F CB -0.590 38.524 39.000 0.190 0.000 0.991 299 F HN -0.282 nan 8.300 nan 0.000 0.474 300 K N 0.576 120.928 120.400 -0.081 0.000 2.034 300 K HA -0.179 4.141 4.320 -0.000 0.000 0.214 300 K C 2.217 178.779 176.600 -0.064 0.000 1.051 300 K CA 1.867 58.049 56.287 -0.175 0.000 0.931 300 K CB -1.091 31.367 32.500 -0.070 0.000 0.715 300 K HN 0.289 nan 8.250 nan 0.000 0.446 301 V N 0.365 120.267 119.914 -0.020 0.000 2.332 301 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 301 V C 2.477 178.626 176.094 0.092 0.000 1.055 301 V CA 2.232 64.536 62.300 0.007 0.000 1.038 301 V CB -1.026 30.660 31.823 -0.227 0.000 0.651 301 V HN 0.473 nan 8.190 nan 0.000 0.450 302 G N -1.598 107.283 108.800 0.135 0.000 2.408 302 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.217 302 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.217 302 G C 1.553 176.577 174.900 0.207 0.000 1.150 302 G CA 0.826 46.128 45.100 0.338 0.000 0.776 302 G HN 0.613 nan 8.290 nan 0.000 0.542 303 H N 0.689 119.679 119.070 -0.132 0.000 2.524 303 H HA 0.185 4.741 4.556 -0.000 0.000 0.282 303 H C 2.581 177.852 175.328 -0.095 0.000 1.016 303 H CA 0.850 56.764 56.048 -0.223 0.000 1.270 303 H CB 0.244 29.614 29.762 -0.654 0.000 1.394 303 H HN 0.346 nan 8.280 nan 0.000 0.568 304 A N 0.302 123.106 122.820 -0.027 0.000 1.854 304 A HA -0.068 4.252 4.320 -0.000 0.000 0.214 304 A C 2.585 180.140 177.584 -0.049 0.000 1.192 304 A CA 1.176 53.196 52.037 -0.028 0.000 0.611 304 A CB -0.788 18.287 19.000 0.125 0.000 0.832 304 A HN 0.247 nan 8.150 nan 0.000 0.442 305 V N 0.313 120.260 119.914 0.054 0.000 2.867 305 V HA -0.131 3.989 4.120 -0.000 0.000 0.260 305 V C 2.554 178.635 176.094 -0.022 0.000 1.099 305 V CA 1.586 63.920 62.300 0.058 0.000 1.122 305 V CB -1.327 30.599 31.823 0.172 0.000 0.708 305 V HN 0.615 nan 8.190 nan 0.000 0.490 306 G N -0.394 108.357 108.800 -0.082 0.000 2.404 306 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.213 306 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.213 306 G C 1.421 176.213 174.900 -0.181 0.000 1.189 306 G CA 0.311 45.323 45.100 -0.146 0.000 0.796 306 G HN 0.444 nan 8.290 nan 0.000 0.532 307 E N 0.891 120.932 120.200 -0.266 0.000 2.114 307 E HA -0.137 4.213 4.350 -0.000 0.000 0.199 307 E C 1.976 178.490 176.600 -0.143 0.000 1.008 307 E CA 1.564 57.828 56.400 -0.227 0.000 0.810 307 E CB -0.801 28.752 29.700 -0.246 0.000 0.739 307 E HN 0.521 nan 8.360 nan 0.000 0.456 308 T N -0.485 113.992 114.554 -0.127 0.000 3.783 308 T HA 0.429 4.779 4.350 -0.000 0.000 0.262 308 T C 0.553 175.208 174.700 -0.075 0.000 1.381 308 T CA -0.157 61.884 62.100 -0.098 0.000 1.155 308 T CB 0.002 68.806 68.868 -0.106 0.000 1.256 308 T HN 0.054 nan 8.240 nan 0.000 0.807 309 G N 1.567 110.323 108.800 -0.073 0.000 2.398 309 G HA2 0.274 4.234 3.960 -0.000 0.000 0.246 309 G HA3 0.274 4.234 3.960 -0.000 0.000 0.246 309 G C 0.616 175.488 174.900 -0.046 0.000 1.289 309 G CA -0.700 44.366 45.100 -0.058 0.000 0.869 309 G HN 0.595 nan 8.290 nan 0.000 0.543 310 N N -0.053 118.624 118.700 -0.038 0.000 2.714 310 N HA -0.171 4.569 4.740 -0.000 0.000 0.250 310 N C 0.916 176.406 175.510 -0.033 0.000 1.117 310 N CA 1.301 54.332 53.050 -0.032 0.000 0.719 310 N CB -1.112 37.357 38.487 -0.029 0.000 1.081 310 N HN 0.887 nan 8.380 nan 0.000 0.557 311 G N -0.984 107.793 108.800 -0.038 0.000 2.890 311 G HA2 0.612 4.572 3.960 -0.000 0.000 0.189 311 G HA3 0.612 4.572 3.960 -0.000 0.000 0.189 311 G C -0.730 174.150 174.900 -0.033 0.000 1.342 311 G CA 0.133 45.209 45.100 -0.041 0.000 1.026 311 G HN 0.392 nan 8.290 nan 0.000 0.579 312 c N 0.346 118.924 118.600 -0.037 0.000 2.716 312 c HA 0.553 5.123 4.570 -0.000 0.000 0.366 312 c C -0.371 173.703 174.090 -0.025 0.000 1.073 312 c CA -0.759 55.556 56.329 -0.023 0.000 1.260 312 c CB 0.286 42.786 42.510 -0.017 0.000 1.755 312 c HN 0.794 nan 8.230 nan 0.000 0.475 313 V N 2.808 122.723 119.914 0.002 0.000 2.432 313 V HA 0.457 4.577 4.120 -0.000 0.000 0.275 313 V C 0.173 176.317 176.094 0.083 0.000 1.043 313 V CA -0.155 62.160 62.300 0.024 0.000 0.925 313 V CB 1.284 33.170 31.823 0.105 0.000 0.985 313 V HN 0.870 nan 8.190 nan 0.000 0.466 314 D N 3.070 123.524 120.400 0.091 0.000 2.488 314 D HA 0.016 4.656 4.640 -0.000 0.000 0.238 314 D C 0.769 177.195 176.300 0.210 0.000 1.138 314 D CA -0.115 53.960 54.000 0.126 0.000 0.873 314 D CB 1.269 42.138 40.800 0.115 0.000 1.183 314 D HN 0.602 nan 8.370 nan 0.000 0.458 315 L N 4.460 125.786 121.223 0.171 0.000 2.191 315 L HA -0.099 4.241 4.340 -0.000 0.000 0.212 315 L C 2.051 179.118 176.870 0.328 0.000 1.103 315 L CA 1.629 56.596 54.840 0.211 0.000 0.769 315 L CB -0.283 41.897 42.059 0.202 0.000 0.908 315 L HN 0.477 nan 8.230 nan 0.000 0.438 316 R N -1.508 119.185 120.500 0.323 0.000 2.092 316 R HA -0.221 4.119 4.340 -0.000 0.000 0.231 316 R C 2.167 178.648 176.300 0.302 0.000 1.119 316 R CA 1.709 58.026 56.100 0.363 0.000 0.970 316 R CB -0.800 29.546 30.300 0.076 0.000 0.864 316 R HN 0.604 nan 8.270 nan 0.000 0.440 317 W N 2.217 123.594 121.300 0.129 0.000 2.355 317 W HA -0.184 4.476 4.660 -0.000 0.000 0.309 317 W C 1.488 178.102 176.519 0.158 0.000 1.206 317 W CA 1.420 58.835 57.345 0.117 0.000 1.284 317 W CB -0.252 29.260 29.460 0.087 0.000 1.145 317 W HN 0.046 nan 8.180 nan 0.000 0.502 318 L N 1.245 122.593 121.223 0.208 0.000 1.994 318 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 318 L C 2.920 179.848 176.870 0.097 0.000 1.071 318 L CA 1.595 56.537 54.840 0.171 0.000 0.745 318 L CB -1.765 40.375 42.059 0.135 0.000 0.892 318 L HN -0.065 nan 8.230 nan 0.000 0.431 319 A N -0.085 122.777 122.820 0.071 0.000 2.042 319 A HA -0.271 4.049 4.320 -0.000 0.000 0.222 319 A C 2.446 180.041 177.584 0.018 0.000 1.167 319 A CA 2.240 54.281 52.037 0.006 0.000 0.649 319 A CB -0.452 18.492 19.000 -0.092 0.000 0.809 319 A HN 0.423 nan 8.150 nan 0.000 0.457 320 K N -1.203 119.190 120.400 -0.013 0.000 2.121 320 K HA 0.028 4.348 4.320 -0.000 0.000 0.203 320 K C 2.246 178.789 176.600 -0.094 0.000 1.041 320 K CA 1.018 57.279 56.287 -0.043 0.000 0.969 320 K CB -0.045 32.394 32.500 -0.101 0.000 0.799 320 K HN 0.395 nan 8.250 nan 0.000 0.456 321 S N 0.760 116.251 115.700 -0.348 0.000 2.348 321 S HA -0.080 4.390 4.470 -0.000 0.000 0.221 321 S C 1.625 176.085 174.600 -0.233 0.000 1.033 321 S CA 1.289 59.233 58.200 -0.427 0.000 1.010 321 S CB -0.372 62.383 63.200 -0.741 0.000 0.891 321 S HN 0.261 nan 8.310 nan 0.000 0.442 322 F N 0.704 120.544 119.950 -0.183 0.000 2.408 322 F HA -0.013 4.514 4.527 -0.000 0.000 0.300 322 F C 1.791 177.530 175.800 -0.101 0.000 1.090 322 F CA 0.596 58.521 58.000 -0.125 0.000 1.427 322 F CB -0.270 38.692 39.000 -0.062 0.000 1.070 322 F HN 0.214 nan 8.300 nan 0.000 0.549 323 F N 1.248 121.166 119.950 -0.054 0.000 2.098 323 F HA -0.124 4.403 4.527 -0.000 0.000 0.294 323 F C 2.304 178.001 175.800 -0.171 0.000 1.107 323 F CA 1.457 59.389 58.000 -0.112 0.000 1.234 323 F CB -0.573 38.357 39.000 -0.116 0.000 1.002 323 F HN -0.197 nan 8.300 nan 0.000 0.472 324 E N 0.887 120.865 120.200 -0.369 0.000 2.219 324 E HA -0.207 4.143 4.350 -0.000 0.000 0.198 324 E C 2.401 178.720 176.600 -0.468 0.000 0.998 324 E CA 1.285 57.417 56.400 -0.446 0.000 0.818 324 E CB -0.562 29.015 29.700 -0.206 0.000 0.741 324 E HN 0.504 nan 8.360 nan 0.000 0.477 325 L N 0.264 121.200 121.223 -0.479 0.000 2.095 325 L HA -0.096 4.244 4.340 -0.000 0.000 0.204 325 L C 2.473 179.147 176.870 -0.328 0.000 1.080 325 L CA 1.183 55.672 54.840 -0.585 0.000 0.759 325 L CB -0.516 41.071 42.059 -0.788 0.000 0.914 325 L HN 0.077 nan 8.230 nan 0.000 0.439 326 T N -0.566 113.815 114.554 -0.288 0.000 2.708 326 T HA -0.217 4.133 4.350 -0.000 0.000 0.266 326 T C 1.883 176.395 174.700 -0.313 0.000 1.037 326 T CA 1.598 63.574 62.100 -0.207 0.000 1.146 326 T CB -0.350 68.412 68.868 -0.177 0.000 0.865 326 T HN 0.174 nan 8.240 nan 0.000 0.435 327 V N 1.211 120.775 119.914 -0.583 0.000 2.407 327 V HA -0.075 4.045 4.120 -0.000 0.000 0.248 327 V C 2.235 178.166 176.094 -0.271 0.000 1.055 327 V CA 1.430 63.368 62.300 -0.603 0.000 1.049 327 V CB -0.487 30.797 31.823 -0.898 0.000 0.662 327 V HN 0.375 nan 8.190 nan 0.000 0.455 328 L N 0.828 121.915 121.223 -0.226 0.000 2.027 328 L HA -0.131 4.209 4.340 -0.000 0.000 0.206 328 L C 2.538 179.431 176.870 0.038 0.000 1.074 328 L CA 2.678 57.473 54.840 -0.074 0.000 0.745 328 L CB -0.989 41.025 42.059 -0.075 0.000 0.898 328 L HN 0.404 nan 8.230 nan 0.000 0.433 329 K N -0.755 119.707 120.400 0.104 0.000 2.113 329 K HA -0.224 4.096 4.320 -0.000 0.000 0.208 329 K C 1.640 178.256 176.600 0.026 0.000 1.047 329 K CA 1.886 58.252 56.287 0.133 0.000 0.928 329 K CB -0.221 32.380 32.500 0.169 0.000 0.716 329 K HN 0.453 nan 8.250 nan 0.000 0.446 330 D N 0.930 121.314 120.400 -0.026 0.000 2.084 330 D HA -0.175 4.465 4.640 -0.000 0.000 0.196 330 D C 1.961 178.232 176.300 -0.047 0.000 0.985 330 D CA 1.150 55.125 54.000 -0.043 0.000 0.826 330 D CB -0.196 40.565 40.800 -0.066 0.000 0.978 330 D HN 0.322 nan 8.370 nan 0.000 0.456 331 I N 0.928 121.467 120.570 -0.052 0.000 2.286 331 I HA -0.227 3.943 4.170 -0.000 0.000 0.248 331 I C 2.149 178.199 176.117 -0.111 0.000 1.115 331 I CA 0.880 62.131 61.300 -0.081 0.000 1.392 331 I CB 0.045 38.002 38.000 -0.072 0.000 1.065 331 I HN -0.097 nan 8.210 nan 0.000 0.418 332 I N 0.664 121.203 120.570 -0.050 0.000 2.361 332 I HA -0.202 3.968 4.170 -0.000 0.000 0.251 332 I C 2.428 178.538 176.117 -0.012 0.000 1.133 332 I CA 1.449 62.741 61.300 -0.014 0.000 1.413 332 I CB -0.712 37.331 38.000 0.072 0.000 1.073 332 I HN 0.333 nan 8.210 nan 0.000 0.424 333 G N 0.677 109.466 108.800 -0.020 0.000 2.441 333 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.212 333 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.212 333 G C 1.662 176.539 174.900 -0.038 0.000 1.164 333 G CA 0.114 45.209 45.100 -0.008 0.000 0.811 333 G HN 0.259 nan 8.290 nan 0.000 0.535 334 I N 0.251 120.777 120.570 -0.073 0.000 2.226 334 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 334 I C 2.840 178.883 176.117 -0.124 0.000 1.100 334 I CA 0.619 61.865 61.300 -0.090 0.000 1.374 334 I CB -0.295 37.644 38.000 -0.102 0.000 1.057 334 I HN 0.321 nan 8.210 nan 0.000 0.413 335 c N 0.114 118.583 118.600 -0.217 0.000 2.675 335 c HA -0.075 4.495 4.570 -0.000 0.000 0.285 335 c C 1.081 175.025 174.090 -0.243 0.000 1.282 335 c CA 0.197 56.306 56.329 -0.367 0.000 1.708 335 c CB -0.557 41.506 42.510 -0.744 0.000 2.134 335 c HN 0.270 nan 8.230 nan 0.000 0.494 336 Y N -0.094 120.210 120.300 0.006 0.000 2.419 336 Y HA 0.473 5.023 4.550 -0.000 0.000 0.328 336 Y C 1.107 177.016 175.900 0.014 0.000 1.162 336 Y CA -0.709 57.402 58.100 0.020 0.000 1.174 336 Y CB 0.256 38.744 38.460 0.046 0.000 1.228 336 Y HN 0.283 nan 8.280 nan 0.000 0.473 337 G N 0.821 109.731 108.800 0.183 0.000 3.392 337 G HA2 0.360 4.320 3.960 -0.000 0.000 0.247 337 G HA3 0.360 4.320 3.960 -0.000 0.000 0.247 337 G C 0.151 175.106 174.900 0.091 0.000 1.161 337 G CA 0.049 45.206 45.100 0.095 0.000 1.739 337 G HN 0.747 nan 8.290 nan 0.000 0.619 338 A N 0.463 123.359 122.820 0.127 0.000 2.316 338 A HA 0.772 5.092 4.320 -0.000 0.000 0.284 338 A C 0.481 178.091 177.584 0.044 0.000 1.115 338 A CA -0.142 51.953 52.037 0.097 0.000 0.812 338 A CB 0.850 19.949 19.000 0.165 0.000 1.064 338 A HN 0.288 nan 8.150 nan 0.000 0.489 339 T N 0.282 114.845 114.554 0.016 0.000 2.924 339 T HA 0.648 4.998 4.350 -0.000 0.000 0.291 339 T C -0.750 173.930 174.700 -0.033 0.000 1.045 339 T CA -0.517 61.584 62.100 0.001 0.000 1.015 339 T CB 1.638 70.517 68.868 0.018 0.000 1.103 339 T HN 0.600 nan 8.240 nan 0.000 0.496 340 V N 2.059 121.932 119.914 -0.069 0.000 2.686 340 V HA 0.740 4.860 4.120 -0.000 0.000 0.306 340 V C -0.807 175.207 176.094 -0.134 0.000 1.065 340 V CA -1.019 61.178 62.300 -0.171 0.000 0.894 340 V CB 1.858 33.487 31.823 -0.323 0.000 1.004 340 V HN 1.014 nan 8.190 nan 0.000 0.424 341 K N 2.264 122.533 120.400 -0.218 0.000 2.557 341 K HA 0.735 5.055 4.320 -0.000 0.000 0.257 341 K C 0.062 176.551 176.600 -0.186 0.000 0.933 341 K CA -0.167 56.009 56.287 -0.185 0.000 0.820 341 K CB 2.112 34.397 32.500 -0.358 0.000 1.330 341 K HN 1.403 nan 8.250 nan 0.000 0.432 342 G N 2.066 110.945 108.800 0.132 0.000 2.141 342 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.164 342 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.164 342 G C 0.111 174.953 174.900 -0.097 0.000 1.009 342 G CA 0.143 45.319 45.100 0.126 0.000 0.677 342 G HN 0.483 nan 8.290 nan 0.000 0.508 343 M N -0.436 119.182 119.600 0.030 0.000 2.215 343 M HA 0.205 4.685 4.480 -0.000 0.000 0.391 343 M C 0.374 176.827 176.300 0.254 0.000 0.914 343 M CA 0.297 55.646 55.300 0.081 0.000 1.035 343 M CB 0.490 33.188 32.600 0.163 0.000 1.944 343 M HN 0.212 nan 8.290 nan 0.000 0.656 344 Q N 0.835 120.763 119.800 0.213 0.000 2.260 344 Q HA 0.368 4.708 4.340 -0.000 0.000 0.242 344 Q C 0.138 176.222 176.000 0.140 0.000 0.932 344 Q CA 0.042 55.981 55.803 0.227 0.000 0.891 344 Q CB 2.116 30.955 28.738 0.167 0.000 1.222 344 Q HN 0.119 nan 8.270 nan 0.000 0.453 345 S N 1.068 116.798 115.700 0.049 0.000 2.524 345 S HA 0.185 4.655 4.470 -0.000 0.000 0.227 345 S C 0.517 175.028 174.600 -0.150 0.000 1.304 345 S CA -0.676 57.465 58.200 -0.098 0.000 1.185 345 S CB -0.199 62.884 63.200 -0.196 0.000 1.104 345 S HN 0.615 nan 8.310 nan 0.000 0.475 346 Y N 3.045 123.300 120.300 -0.076 0.000 2.348 346 Y HA -0.003 4.547 4.550 -0.000 0.000 0.285 346 Y C 1.695 177.546 175.900 -0.081 0.000 1.173 346 Y CA 1.595 59.649 58.100 -0.075 0.000 1.263 346 Y CB -0.985 37.422 38.460 -0.088 0.000 0.974 346 Y HN 0.560 nan 8.280 nan 0.000 0.547 347 G N 1.450 109.859 108.800 -0.652 0.000 2.434 347 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.214 347 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.214 347 G C 1.469 176.226 174.900 -0.239 0.000 1.202 347 G CA 1.014 45.839 45.100 -0.459 0.000 0.788 347 G HN 0.475 nan 8.290 nan 0.000 0.539 348 L N 0.887 121.950 121.223 -0.268 0.000 2.129 348 L HA -0.066 4.274 4.340 -0.000 0.000 0.212 348 L C 2.555 179.325 176.870 -0.168 0.000 1.087 348 L CA 2.106 56.798 54.840 -0.246 0.000 0.757 348 L CB -0.454 41.352 42.059 -0.421 0.000 0.896 348 L HN 0.405 nan 8.230 nan 0.000 0.434 349 E N -0.819 119.307 120.200 -0.123 0.000 2.072 349 E HA -0.195 4.155 4.350 -0.000 0.000 0.190 349 E C 2.330 178.913 176.600 -0.028 0.000 0.982 349 E CA 0.941 57.311 56.400 -0.050 0.000 0.803 349 E CB -0.151 29.550 29.700 0.003 0.000 0.755 349 E HN 0.482 nan 8.360 nan 0.000 0.453 350 R N 0.513 121.004 120.500 -0.015 0.000 2.096 350 R HA -0.128 4.212 4.340 -0.000 0.000 0.235 350 R C 2.464 178.753 176.300 -0.017 0.000 1.127 350 R CA 0.719 56.820 56.100 0.002 0.000 0.968 350 R CB -0.230 30.090 30.300 0.034 0.000 0.861 350 R HN 0.096 nan 8.270 nan 0.000 0.440 351 L N 0.386 121.585 121.223 -0.041 0.000 1.994 351 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 351 L C 2.236 179.087 176.870 -0.033 0.000 1.071 351 L CA 2.157 56.975 54.840 -0.036 0.000 0.745 351 L CB -0.624 41.402 42.059 -0.055 0.000 0.892 351 L HN 0.136 nan 8.230 nan 0.000 0.431 352 A N -0.422 122.367 122.820 -0.053 0.000 1.908 352 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 352 A C 2.452 180.009 177.584 -0.044 0.000 1.181 352 A CA 2.122 54.122 52.037 -0.062 0.000 0.627 352 A CB -1.329 17.625 19.000 -0.078 0.000 0.818 352 A HN 0.626 nan 8.150 nan 0.000 0.445 353 A N -0.496 122.306 122.820 -0.031 0.000 1.865 353 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 353 A C 2.310 179.883 177.584 -0.017 0.000 1.191 353 A CA 2.016 54.038 52.037 -0.025 0.000 0.623 353 A CB -0.604 18.382 19.000 -0.023 0.000 0.826 353 A HN 0.541 nan 8.150 nan 0.000 0.444 354 M N -1.092 118.502 119.600 -0.009 0.000 2.086 354 M HA -0.126 4.354 4.480 -0.000 0.000 0.261 354 M C 2.361 178.663 176.300 0.003 0.000 1.067 354 M CA 1.739 57.040 55.300 0.001 0.000 1.116 354 M CB -0.545 32.062 32.600 0.010 0.000 1.348 354 M HN 0.540 nan 8.290 nan 0.000 0.407 355 L N 0.278 121.501 121.223 0.001 0.000 2.013 355 L HA -0.289 4.051 4.340 -0.000 0.000 0.212 355 L C 2.589 179.461 176.870 0.003 0.000 1.073 355 L CA 1.417 56.262 54.840 0.008 0.000 0.753 355 L CB -0.188 41.876 42.059 0.008 0.000 0.890 355 L HN 0.307 nan 8.230 nan 0.000 0.432 356 M N -0.424 119.167 119.600 -0.015 0.000 2.108 356 M HA -0.172 4.308 4.480 -0.000 0.000 0.261 356 M C 2.455 178.756 176.300 0.001 0.000 1.066 356 M CA 1.847 57.139 55.300 -0.014 0.000 1.107 356 M CB -1.641 30.944 32.600 -0.025 0.000 1.356 356 M HN 0.443 nan 8.290 nan 0.000 0.406 357 A N -0.130 122.691 122.820 0.001 0.000 2.186 357 A HA -0.089 4.231 4.320 -0.000 0.000 0.219 357 A C 1.508 179.100 177.584 0.013 0.000 1.159 357 A CA 1.802 53.843 52.037 0.008 0.000 0.680 357 A CB -1.108 17.895 19.000 0.005 0.000 0.787 357 A HN 0.599 nan 8.150 nan 0.000 0.467 358 T N -2.686 111.877 114.554 0.014 0.000 3.255 358 T HA 0.539 4.889 4.350 -0.000 0.000 0.243 358 T C -0.527 174.187 174.700 0.023 0.000 1.057 358 T CA -0.218 61.893 62.100 0.018 0.000 1.121 358 T CB -0.135 68.744 68.868 0.019 0.000 1.104 358 T HN 0.503 nan 8.240 nan 0.000 0.571 359 V N 0.394 120.322 119.914 0.024 0.000 3.048 359 V HA 0.568 4.688 4.120 -0.000 0.000 0.303 359 V C -1.247 174.866 176.094 0.031 0.000 1.214 359 V CA -1.094 61.224 62.300 0.030 0.000 0.984 359 V CB 2.370 34.213 31.823 0.033 0.000 1.054 359 V HN 0.381 nan 8.190 nan 0.000 0.430 360 K N 5.549 125.971 120.400 0.036 0.000 2.021 360 K HA 0.200 4.520 4.320 -0.000 0.000 0.238 360 K C 1.163 177.789 176.600 0.043 0.000 1.149 360 K CA 0.191 56.503 56.287 0.041 0.000 1.105 360 K CB -0.037 32.492 32.500 0.047 0.000 1.246 360 K HN 0.593 nan 8.250 nan 0.000 0.307 361 M N 0.498 120.121 119.600 0.038 0.000 2.065 361 M HA -0.169 4.311 4.480 -0.000 0.000 0.259 361 M C 1.442 177.765 176.300 0.039 0.000 1.069 361 M CA 1.627 56.949 55.300 0.036 0.000 1.110 361 M CB -0.544 32.078 32.600 0.036 0.000 1.328 361 M HN 0.612 nan 8.290 nan 0.000 0.405 362 E N 0.117 120.344 120.200 0.046 0.000 2.510 362 E HA -0.172 4.178 4.350 -0.000 0.000 0.202 362 E C 0.931 177.566 176.600 0.057 0.000 1.072 362 E CA 0.554 56.984 56.400 0.049 0.000 0.883 362 E CB 0.159 29.893 29.700 0.056 0.000 0.818 362 E HN 0.474 nan 8.360 nan 0.000 0.548 363 E N -0.280 119.960 120.200 0.066 0.000 2.810 363 E HA 0.070 4.420 4.350 -0.000 0.000 0.214 363 E C 1.288 177.928 176.600 0.067 0.000 0.980 363 E CA -0.180 56.291 56.400 0.119 0.000 1.159 363 E CB 0.350 30.147 29.700 0.162 0.000 1.047 363 E HN 0.247 nan 8.360 nan 0.000 0.484 364 L N -0.103 121.132 121.223 0.019 0.000 2.131 364 L HA -0.016 4.324 4.340 -0.000 0.000 0.210 364 L C 2.078 178.934 176.870 -0.023 0.000 1.092 364 L CA 1.666 56.513 54.840 0.012 0.000 0.759 364 L CB -0.149 41.916 42.059 0.010 0.000 0.903 364 L HN 0.312 nan 8.230 nan 0.000 0.435 365 G N -1.657 107.080 108.800 -0.106 0.000 2.448 365 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.219 365 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.219 365 G C 1.170 175.971 174.900 -0.165 0.000 1.127 365 G CA 0.436 45.436 45.100 -0.166 0.000 0.766 365 G HN 0.489 nan 8.290 nan 0.000 0.552 366 H N -0.812 118.269 119.070 0.018 0.000 2.547 366 H HA 0.194 4.750 4.556 -0.000 0.000 0.266 366 H C 0.870 176.206 175.328 0.013 0.000 0.988 366 H CA -0.237 55.818 56.048 0.013 0.000 1.147 366 H CB 0.118 29.886 29.762 0.010 0.000 1.365 366 H HN 0.226 nan 8.280 nan 0.000 0.589 367 L N 1.130 122.410 121.223 0.094 0.000 2.488 367 L HA 0.163 4.503 4.340 -0.000 0.000 0.249 367 L C 1.173 178.072 176.870 0.049 0.000 1.151 367 L CA -0.349 54.532 54.840 0.068 0.000 0.806 367 L CB 0.897 42.989 42.059 0.054 0.000 1.261 367 L HN 0.147 nan 8.230 nan 0.000 0.484 368 T N -2.266 112.313 114.554 0.040 0.000 2.788 368 T HA 0.167 4.517 4.350 -0.000 0.000 0.287 368 T C 1.055 175.772 174.700 0.028 0.000 1.007 368 T CA 0.258 62.376 62.100 0.031 0.000 1.005 368 T CB 0.438 69.320 68.868 0.024 0.000 1.012 368 T HN 0.659 nan 8.240 nan 0.000 0.530 369 T N 0.283 114.851 114.554 0.024 0.000 2.639 369 T HA -0.088 4.262 4.350 -0.000 0.000 0.261 369 T C 1.778 176.492 174.700 0.022 0.000 1.053 369 T CA 1.400 63.512 62.100 0.020 0.000 1.158 369 T CB -0.556 68.324 68.868 0.020 0.000 0.863 369 T HN 0.834 nan 8.240 nan 0.000 0.413 370 E N 0.804 121.017 120.200 0.022 0.000 2.097 370 E HA -0.246 4.104 4.350 -0.000 0.000 0.196 370 E C 2.068 178.694 176.600 0.044 0.000 1.000 370 E CA 1.158 57.573 56.400 0.024 0.000 0.804 370 E CB 0.022 29.728 29.700 0.009 0.000 0.740 370 E HN 0.195 nan 8.360 nan 0.000 0.454 371 K N 0.339 120.764 120.400 0.042 0.000 2.148 371 K HA -0.136 4.184 4.320 -0.000 0.000 0.204 371 K C 2.152 178.812 176.600 0.099 0.000 1.050 371 K CA 0.851 57.185 56.287 0.078 0.000 0.942 371 K CB -0.275 32.258 32.500 0.054 0.000 0.724 371 K HN 0.282 nan 8.250 nan 0.000 0.446 372 Q N 0.985 120.816 119.800 0.052 0.000 2.050 372 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 372 Q C 1.790 177.792 176.000 0.002 0.000 0.980 372 Q CA 1.481 57.298 55.803 0.025 0.000 0.840 372 Q CB 0.183 28.926 28.738 0.009 0.000 0.898 372 Q HN 0.344 nan 8.270 nan 0.000 0.424 373 E N -0.444 119.758 120.200 0.002 0.000 2.012 373 E HA -0.254 4.096 4.350 -0.000 0.000 0.197 373 E C 1.816 178.386 176.600 -0.050 0.000 1.007 373 E CA 1.356 57.727 56.400 -0.048 0.000 0.816 373 E CB -0.452 29.231 29.700 -0.028 0.000 0.762 373 E HN 0.380 nan 8.360 nan 0.000 0.451 374 Y N 1.588 121.834 120.300 -0.091 0.000 2.132 374 Y HA -0.368 4.182 4.550 -0.000 0.000 0.280 374 Y C 2.104 177.957 175.900 -0.079 0.000 1.193 374 Y CA 1.675 59.727 58.100 -0.079 0.000 1.157 374 Y CB -0.546 37.891 38.460 -0.037 0.000 0.966 374 Y HN 0.059 nan 8.280 nan 0.000 0.511 375 A N -0.061 122.724 122.820 -0.059 0.000 1.828 375 A HA -0.184 4.136 4.320 -0.000 0.000 0.215 375 A C 2.127 179.604 177.584 -0.179 0.000 1.203 375 A CA 1.977 53.940 52.037 -0.124 0.000 0.614 375 A CB -1.330 17.663 19.000 -0.012 0.000 0.844 375 A HN 0.424 nan 8.150 nan 0.000 0.445 376 L N -0.323 120.817 121.223 -0.139 0.000 2.042 376 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 376 L C 2.593 179.311 176.870 -0.253 0.000 1.076 376 L CA 1.970 56.717 54.840 -0.156 0.000 0.749 376 L CB -0.816 41.158 42.059 -0.141 0.000 0.893 376 L HN 0.409 nan 8.230 nan 0.000 0.432 377 R N -0.214 120.071 120.500 -0.359 0.000 2.122 377 R HA -0.239 4.101 4.340 -0.000 0.000 0.236 377 R C 2.271 178.371 176.300 -0.334 0.000 1.129 377 R CA 2.409 58.190 56.100 -0.532 0.000 0.925 377 R CB -0.649 29.379 30.300 -0.454 0.000 0.850 377 R HN 0.425 nan 8.270 nan 0.000 0.431 378 L N -1.367 119.659 121.223 -0.328 0.000 2.275 378 L HA 0.123 4.463 4.340 -0.000 0.000 0.215 378 L C 2.129 178.914 176.870 -0.142 0.000 1.119 378 L CA 1.822 56.514 54.840 -0.247 0.000 0.790 378 L CB -0.492 41.324 42.059 -0.405 0.000 0.919 378 L HN 0.064 nan 8.230 nan 0.000 0.443 379 A N -0.050 122.688 122.820 -0.137 0.000 2.019 379 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 379 A C 2.271 179.874 177.584 0.033 0.000 1.164 379 A CA 2.139 54.148 52.037 -0.046 0.000 0.644 379 A CB -1.134 17.840 19.000 -0.043 0.000 0.805 379 A HN 0.562 nan 8.150 nan 0.000 0.449 380 T N -0.553 114.010 114.554 0.014 0.000 2.851 380 T HA -0.053 4.297 4.350 -0.000 0.000 0.262 380 T C 1.871 176.630 174.700 0.098 0.000 1.043 380 T CA 1.375 63.519 62.100 0.072 0.000 1.140 380 T CB -0.301 68.656 68.868 0.148 0.000 0.872 380 T HN 0.181 nan 8.240 nan 0.000 0.446 381 V N 1.350 121.311 119.914 0.079 0.000 2.407 381 V HA -0.040 4.080 4.120 -0.000 0.000 0.248 381 V C 2.687 178.813 176.094 0.053 0.000 1.055 381 V CA 1.964 64.305 62.300 0.069 0.000 1.049 381 V CB -1.048 30.797 31.823 0.036 0.000 0.662 381 V HN 0.591 nan 8.190 nan 0.000 0.455 382 G N -2.326 106.498 108.800 0.040 0.000 2.986 382 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.213 382 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.213 382 G C 1.267 176.208 174.900 0.068 0.000 1.156 382 G CA 0.197 45.315 45.100 0.031 0.000 0.763 382 G HN 0.487 nan 8.290 nan 0.000 0.547 383 Y N 2.662 122.953 120.300 -0.015 0.000 2.096 383 Y HA -0.197 4.353 4.550 -0.000 0.000 0.278 383 Y C 0.102 175.999 175.900 -0.006 0.000 1.192 383 Y CA 2.325 60.417 58.100 -0.012 0.000 1.143 383 Y CB -0.890 37.564 38.460 -0.010 0.000 0.963 383 Y HN 0.246 nan 8.280 nan 0.000 0.505 384 P HA -0.199 nan 4.420 nan 0.000 0.205 384 P C 1.430 178.731 177.300 0.003 0.000 1.193 384 P CA 1.937 65.106 63.100 0.116 0.000 0.929 384 P CB -0.090 31.690 31.700 0.133 0.000 0.772 385 K N -0.591 119.822 120.400 0.021 0.000 2.228 385 K HA -0.071 4.249 4.320 -0.000 0.000 0.205 385 K C 0.800 177.386 176.600 -0.024 0.000 1.045 385 K CA 1.274 57.566 56.287 0.008 0.000 0.931 385 K CB -0.514 32.008 32.500 0.037 0.000 0.727 385 K HN 0.230 nan 8.250 nan 0.000 0.458 386 A N -2.405 120.380 122.820 -0.057 0.000 2.601 386 A HA 0.555 4.875 4.320 -0.000 0.000 0.291 386 A C -0.209 177.293 177.584 -0.137 0.000 1.075 386 A CA 0.022 52.015 52.037 -0.074 0.000 0.671 386 A CB 1.404 20.382 19.000 -0.036 0.000 1.277 386 A HN 0.170 nan 8.150 nan 0.000 0.417 387 G N -0.699 108.029 108.800 -0.121 0.000 2.327 387 G HA2 0.067 4.027 3.960 -0.000 0.000 0.159 387 G HA3 0.067 4.027 3.960 -0.000 0.000 0.159 387 G C 0.338 175.113 174.900 -0.208 0.000 1.056 387 G CA 0.227 45.236 45.100 -0.152 0.000 0.751 387 G HN 1.534 nan 8.290 nan 0.000 0.488 388 V N -1.187 118.650 119.914 -0.128 0.000 3.129 388 V HA 0.129 4.249 4.120 -0.000 0.000 0.259 388 V C 1.364 177.355 176.094 -0.172 0.000 1.116 388 V CA 1.607 63.817 62.300 -0.151 0.000 1.127 388 V CB -0.326 31.457 31.823 -0.068 0.000 0.742 388 V HN 0.523 nan 8.190 nan 0.000 0.474 389 Y N -0.644 119.611 120.300 -0.076 0.000 2.809 389 Y HA 0.426 4.976 4.550 -0.000 0.000 0.251 389 Y C 0.899 176.775 175.900 -0.041 0.000 1.136 389 Y CA -0.486 57.586 58.100 -0.048 0.000 1.185 389 Y CB 0.918 39.358 38.460 -0.034 0.000 1.260 389 Y HN 0.105 nan 8.280 nan 0.000 0.576 390 S N -0.356 115.377 115.700 0.055 0.000 2.554 390 S HA 0.483 4.953 4.470 -0.000 0.000 0.278 390 S C 1.071 175.686 174.600 0.024 0.000 1.242 390 S CA -0.131 58.090 58.200 0.035 0.000 1.051 390 S CB 0.893 64.090 63.200 -0.005 0.000 0.986 390 S HN 0.530 nan 8.310 nan 0.000 0.502 391 G N 4.511 113.335 108.800 0.039 0.000 3.263 391 G HA2 0.178 4.138 3.960 -0.000 0.000 0.246 391 G HA3 0.178 4.138 3.960 -0.000 0.000 0.246 391 G C 0.825 175.748 174.900 0.038 0.000 0.982 391 G CA -0.172 44.952 45.100 0.040 0.000 1.897 391 G HN 0.756 nan 8.290 nan 0.000 0.624 392 L N -0.157 121.087 121.223 0.035 0.000 2.005 392 L HA -0.068 4.272 4.340 -0.000 0.000 0.207 392 L C 2.613 179.523 176.870 0.067 0.000 1.072 392 L CA 0.858 55.731 54.840 0.055 0.000 0.744 392 L CB -0.208 41.906 42.059 0.090 0.000 0.895 392 L HN 0.314 nan 8.230 nan 0.000 0.433 393 I N 0.102 120.717 120.570 0.075 0.000 2.335 393 I HA -0.202 3.968 4.170 -0.000 0.000 0.251 393 I C 2.540 178.701 176.117 0.073 0.000 1.129 393 I CA 1.481 62.817 61.300 0.061 0.000 1.402 393 I CB -1.234 36.794 38.000 0.047 0.000 1.069 393 I HN 0.197 nan 8.210 nan 0.000 0.424 394 G N 0.523 109.363 108.800 0.066 0.000 2.421 394 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.216 394 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.216 394 G C 1.856 176.798 174.900 0.071 0.000 1.171 394 G CA 0.815 45.957 45.100 0.070 0.000 0.775 394 G HN 0.502 nan 8.290 nan 0.000 0.543 395 G N 1.097 109.931 108.800 0.056 0.000 2.440 395 G HA2 0.024 3.984 3.960 -0.000 0.000 0.218 395 G HA3 0.024 3.984 3.960 -0.000 0.000 0.218 395 G C 2.044 176.980 174.900 0.060 0.000 1.154 395 G CA 1.531 46.657 45.100 0.044 0.000 0.767 395 G HN 0.682 nan 8.290 nan 0.000 0.552 396 A N 0.103 122.974 122.820 0.086 0.000 2.019 396 A HA 0.013 4.333 4.320 -0.000 0.000 0.219 396 A C 2.504 180.247 177.584 0.264 0.000 1.164 396 A CA 2.393 54.519 52.037 0.147 0.000 0.644 396 A CB -0.639 18.425 19.000 0.106 0.000 0.805 396 A HN 0.322 nan 8.150 nan 0.000 0.449 397 T N -0.632 114.055 114.554 0.221 0.000 2.809 397 T HA -0.057 4.293 4.350 -0.000 0.000 0.260 397 T C 2.284 177.024 174.700 0.066 0.000 1.039 397 T CA 1.392 63.609 62.100 0.195 0.000 1.141 397 T CB -0.307 68.667 68.868 0.176 0.000 0.869 397 T HN 0.449 nan 8.240 nan 0.000 0.437 398 S N 0.971 116.697 115.700 0.044 0.000 2.365 398 S HA -0.127 4.343 4.470 -0.000 0.000 0.225 398 S C 2.244 176.815 174.600 -0.047 0.000 1.039 398 S CA 1.196 59.386 58.200 -0.017 0.000 1.033 398 S CB -0.730 62.453 63.200 -0.028 0.000 0.887 398 S HN 0.316 nan 8.310 nan 0.000 0.447 399 V N 1.818 121.721 119.914 -0.017 0.000 2.343 399 V HA -0.122 3.998 4.120 -0.000 0.000 0.247 399 V C 2.062 178.142 176.094 -0.023 0.000 1.051 399 V CA 1.839 64.125 62.300 -0.023 0.000 1.036 399 V CB -0.402 31.420 31.823 -0.002 0.000 0.654 399 V HN 0.467 nan 8.190 nan 0.000 0.451 400 L N -0.198 121.008 121.223 -0.028 0.000 2.027 400 L HA -0.044 4.296 4.340 -0.000 0.000 0.206 400 L C 2.218 179.063 176.870 -0.040 0.000 1.074 400 L CA 2.412 57.197 54.840 -0.092 0.000 0.745 400 L CB -1.025 40.836 42.059 -0.330 0.000 0.898 400 L HN 0.382 nan 8.230 nan 0.000 0.433 401 L N -0.511 120.698 121.223 -0.023 0.000 2.021 401 L HA -0.252 4.087 4.340 -0.000 0.000 0.215 401 L C 2.538 179.430 176.870 0.038 0.000 1.074 401 L CA 2.286 57.151 54.840 0.040 0.000 0.760 401 L CB -1.053 41.019 42.059 0.021 0.000 0.889 401 L HN 0.387 nan 8.230 nan 0.000 0.433 402 S N -0.342 115.346 115.700 -0.020 0.000 2.359 402 S HA -0.233 4.237 4.470 -0.000 0.000 0.224 402 S C 2.097 176.716 174.600 0.031 0.000 1.035 402 S CA 1.289 59.474 58.200 -0.026 0.000 1.018 402 S CB -0.801 62.360 63.200 -0.066 0.000 0.876 402 S HN 0.705 nan 8.310 nan 0.000 0.448 403 A N 0.989 123.839 122.820 0.050 0.000 1.892 403 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 403 A C 2.016 179.709 177.584 0.182 0.000 1.188 403 A CA 2.043 54.138 52.037 0.097 0.000 0.631 403 A CB -1.115 17.919 19.000 0.056 0.000 0.822 403 A HN 0.572 nan 8.150 nan 0.000 0.447 404 Y N 1.407 121.711 120.300 0.008 0.000 2.114 404 Y HA -0.211 4.339 4.550 -0.000 0.000 0.284 404 Y C 2.120 178.035 175.900 0.026 0.000 1.143 404 Y CA 1.706 59.818 58.100 0.020 0.000 1.135 404 Y CB -1.090 37.369 38.460 -0.001 0.000 0.980 404 Y HN 0.497 nan 8.280 nan 0.000 0.499 405 N N -0.257 118.374 118.700 -0.114 0.000 2.192 405 N HA -0.216 4.524 4.740 -0.000 0.000 0.188 405 N C 1.952 177.369 175.510 -0.155 0.000 1.013 405 N CA 0.799 53.707 53.050 -0.236 0.000 0.863 405 N CB -0.250 38.154 38.487 -0.139 0.000 0.990 405 N HN 0.270 nan 8.380 nan 0.000 0.430 406 R N 0.308 120.770 120.500 -0.063 0.000 2.307 406 R HA 0.040 4.380 4.340 -0.000 0.000 0.199 406 R C -0.185 175.936 176.300 -0.299 0.000 1.000 406 R CA 0.665 56.685 56.100 -0.133 0.000 1.023 406 R CB 0.177 30.434 30.300 -0.072 0.000 0.908 406 R HN 0.338 nan 8.270 nan 0.000 0.473 407 H N -1.612 117.453 119.070 -0.008 0.000 2.941 407 H HA 0.292 4.848 4.556 -0.000 0.000 0.344 407 H C -2.360 173.002 175.328 0.057 0.000 1.235 407 H CA -1.723 54.344 56.048 0.033 0.000 1.149 407 H CB 2.254 32.048 29.762 0.053 0.000 1.885 407 H HN -0.110 nan 8.280 nan 0.000 0.558 408 P HA 0.209 nan 4.420 nan 0.000 0.208 408 P C -0.887 176.574 177.300 0.269 0.000 1.863 408 P CA -0.269 62.948 63.100 0.194 0.000 1.037 408 P CB -0.375 31.417 31.700 0.154 0.000 1.881 409 L N 0.351 121.779 121.223 0.342 0.000 3.601 409 L HA -0.229 4.111 4.340 -0.000 0.000 0.469 409 L C -0.275 176.764 176.870 0.282 0.000 1.294 409 L CA 0.747 55.752 54.840 0.275 0.000 0.829 409 L CB -2.643 39.549 42.059 0.223 0.000 1.628 409 L HN 0.330 nan 8.230 nan 0.000 0.868 410 F N -0.306 119.675 119.950 0.052 0.000 2.637 410 F HA 0.357 4.884 4.527 -0.000 0.000 0.316 410 F C -1.101 174.641 175.800 -0.097 0.000 1.023 410 F CA -0.658 57.325 58.000 -0.028 0.000 1.071 410 F CB 0.846 39.834 39.000 -0.020 0.000 1.319 410 F HN 0.016 nan 8.300 nan 0.000 0.541 411 Q N 6.200 125.494 119.800 -0.843 0.000 2.245 411 Q HA 0.457 4.797 4.340 -0.000 0.000 0.256 411 Q C -2.547 172.742 176.000 -1.184 0.000 0.942 411 Q CA -2.081 53.220 55.803 -0.837 0.000 0.896 411 Q CB 1.574 30.069 28.738 -0.405 0.000 1.272 411 Q HN 0.366 nan 8.270 nan 0.000 0.442 412 P HA -0.060 nan 4.420 nan 0.000 0.261 412 P C 0.842 177.896 177.300 -0.410 0.000 1.173 412 P CA 0.327 63.115 63.100 -0.521 0.000 0.760 412 P CB 0.490 32.033 31.700 -0.262 0.000 0.783 413 L N 2.698 123.749 121.223 -0.286 0.000 2.137 413 L HA -0.207 4.133 4.340 -0.000 0.000 0.213 413 L C 0.913 177.479 176.870 -0.508 0.000 1.085 413 L CA 1.569 56.224 54.840 -0.309 0.000 0.760 413 L CB -0.287 41.661 42.059 -0.186 0.000 0.893 413 L HN 0.571 nan 8.230 nan 0.000 0.434 414 H N -1.600 117.444 119.070 -0.043 0.000 2.716 414 H HA 0.194 4.750 4.556 -0.000 0.000 0.230 414 H C -0.299 175.011 175.328 -0.029 0.000 1.401 414 H CA -0.142 55.892 56.048 -0.023 0.000 1.168 414 H CB 0.630 30.390 29.762 -0.002 0.000 1.935 414 H HN -0.031 nan 8.280 nan 0.000 0.538 415 T N -0.515 114.047 114.554 0.013 0.000 2.918 415 T HA 0.144 4.494 4.350 -0.000 0.000 0.283 415 T C 1.522 176.232 174.700 0.015 0.000 1.001 415 T CA -0.245 61.854 62.100 -0.001 0.000 1.041 415 T CB 1.730 70.558 68.868 -0.067 0.000 1.028 415 T HN 0.175 nan 8.240 nan 0.000 0.511 416 V N 4.934 124.860 119.914 0.020 0.000 2.490 416 V HA -0.056 4.064 4.120 -0.000 0.000 0.250 416 V C 2.175 178.275 176.094 0.009 0.000 1.061 416 V CA 2.467 64.780 62.300 0.023 0.000 1.064 416 V CB -0.689 31.148 31.823 0.024 0.000 0.670 416 V HN 0.991 nan 8.190 nan 0.000 0.461 417 M N -0.538 119.061 119.600 -0.003 0.000 2.349 417 M HA -0.075 4.405 4.480 -0.000 0.000 0.266 417 M C 2.194 178.476 176.300 -0.030 0.000 1.076 417 M CA 1.780 57.072 55.300 -0.014 0.000 1.126 417 M CB -0.179 32.417 32.600 -0.007 0.000 1.392 417 M HN 0.333 nan 8.290 nan 0.000 0.440 418 R N 0.599 121.081 120.500 -0.030 0.000 2.083 418 R HA -0.251 4.089 4.340 -0.000 0.000 0.237 418 R C 1.926 178.196 176.300 -0.050 0.000 1.137 418 R CA 2.285 58.378 56.100 -0.013 0.000 0.951 418 R CB -0.377 29.919 30.300 -0.007 0.000 0.851 418 R HN 0.417 nan 8.270 nan 0.000 0.434 419 E N -0.570 119.624 120.200 -0.009 0.000 2.160 419 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 419 E C 1.501 178.097 176.600 -0.007 0.000 0.991 419 E CA 2.229 58.648 56.400 0.033 0.000 0.810 419 E CB -0.273 29.465 29.700 0.064 0.000 0.742 419 E HN 0.424 nan 8.360 nan 0.000 0.466 420 T N 0.530 115.050 114.554 -0.057 0.000 2.643 420 T HA -0.133 4.217 4.350 -0.000 0.000 0.264 420 T C 1.671 176.278 174.700 -0.155 0.000 1.045 420 T CA 1.461 63.507 62.100 -0.090 0.000 1.155 420 T CB -0.376 68.459 68.868 -0.056 0.000 0.863 420 T HN 0.089 nan 8.240 nan 0.000 0.420 421 L N 0.573 121.687 121.223 -0.182 0.000 2.189 421 L HA -0.033 4.307 4.340 -0.000 0.000 0.214 421 L C 2.062 178.597 176.870 -0.558 0.000 1.097 421 L CA 1.338 56.051 54.840 -0.211 0.000 0.764 421 L CB -0.947 41.085 42.059 -0.046 0.000 0.900 421 L HN 0.230 nan 8.230 nan 0.000 0.436 422 F N 0.176 119.451 119.950 -1.126 0.000 2.146 422 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 422 F C 2.253 177.837 175.800 -0.360 0.000 1.096 422 F CA 1.311 58.596 58.000 -1.192 0.000 1.275 422 F CB -0.308 38.218 39.000 -0.790 0.000 1.008 422 F HN -0.022 nan 8.300 nan 0.000 0.480 423 I N 0.328 120.654 120.570 -0.408 0.000 2.226 423 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 423 I C 2.738 178.720 176.117 -0.224 0.000 1.100 423 I CA 1.431 62.528 61.300 -0.338 0.000 1.374 423 I CB -1.394 36.313 38.000 -0.488 0.000 1.057 423 I HN 0.314 nan 8.210 nan 0.000 0.413 424 G N 0.644 109.329 108.800 -0.192 0.000 2.408 424 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 424 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 424 G C 1.815 176.653 174.900 -0.103 0.000 1.150 424 G CA 0.969 46.018 45.100 -0.085 0.000 0.776 424 G HN 0.497 nan 8.290 nan 0.000 0.542 425 S N 0.491 116.118 115.700 -0.122 0.000 2.392 425 S HA -0.284 4.186 4.470 -0.000 0.000 0.232 425 S C 2.092 176.547 174.600 -0.241 0.000 1.041 425 S CA 1.801 59.914 58.200 -0.145 0.000 1.026 425 S CB -0.853 62.388 63.200 0.067 0.000 0.845 425 S HN 0.524 nan 8.310 nan 0.000 0.465 426 H N 0.454 119.428 119.070 -0.160 0.000 2.290 426 H HA -0.024 4.532 4.556 -0.000 0.000 0.298 426 H C 2.501 177.697 175.328 -0.220 0.000 1.087 426 H CA 1.692 57.638 56.048 -0.171 0.000 1.291 426 H CB -1.008 28.669 29.762 -0.141 0.000 1.369 426 H HN 0.405 nan 8.280 nan 0.000 0.492 427 V N 1.192 121.056 119.914 -0.084 0.000 2.913 427 V HA -0.132 3.988 4.120 -0.000 0.000 0.260 427 V C 2.215 178.168 176.094 -0.235 0.000 1.098 427 V CA 0.850 63.029 62.300 -0.203 0.000 1.121 427 V CB -0.430 31.351 31.823 -0.070 0.000 0.714 427 V HN 0.132 nan 8.190 nan 0.000 0.487 428 V N -0.745 119.020 119.914 -0.247 0.000 2.426 428 V HA -0.070 4.050 4.120 -0.000 0.000 0.242 428 V C 2.230 178.183 176.094 -0.235 0.000 1.036 428 V CA 1.538 63.653 62.300 -0.309 0.000 1.044 428 V CB -0.313 31.113 31.823 -0.661 0.000 0.688 428 V HN 0.517 nan 8.190 nan 0.000 0.462 429 L N 0.364 121.461 121.223 -0.210 0.000 1.989 429 L HA -0.165 4.175 4.340 -0.000 0.000 0.211 429 L C 2.613 179.398 176.870 -0.142 0.000 1.071 429 L CA 2.061 56.814 54.840 -0.145 0.000 0.749 429 L CB -0.651 41.345 42.059 -0.105 0.000 0.890 429 L HN 0.148 nan 8.230 nan 0.000 0.431 430 R N -0.824 119.554 120.500 -0.204 0.000 2.119 430 R HA -0.271 4.069 4.340 -0.000 0.000 0.246 430 R C 2.267 178.473 176.300 -0.156 0.000 1.146 430 R CA 1.916 57.864 56.100 -0.255 0.000 0.962 430 R CB -0.245 29.723 30.300 -0.555 0.000 0.863 430 R HN 0.445 nan 8.270 nan 0.000 0.442 431 E N 0.531 120.648 120.200 -0.137 0.000 2.031 431 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 431 E C 1.941 178.599 176.600 0.097 0.000 0.994 431 E CA 1.403 57.828 56.400 0.041 0.000 0.800 431 E CB -0.324 29.397 29.700 0.035 0.000 0.752 431 E HN 0.283 nan 8.360 nan 0.000 0.447 432 L N 0.349 121.611 121.223 0.066 0.000 2.013 432 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 432 L C 2.591 179.482 176.870 0.035 0.000 1.073 432 L CA 1.563 56.492 54.840 0.148 0.000 0.753 432 L CB -0.471 41.588 42.059 0.001 0.000 0.890 432 L HN 0.086 nan 8.230 nan 0.000 0.432 433 R N -0.242 120.235 120.500 -0.039 0.000 2.200 433 R HA -0.074 4.266 4.340 -0.000 0.000 0.234 433 R C 0.753 177.052 176.300 -0.001 0.000 1.127 433 R CA 0.653 56.702 56.100 -0.086 0.000 0.989 433 R CB -0.917 29.334 30.300 -0.082 0.000 0.869 433 R HN 0.181 nan 8.270 nan 0.000 0.459 434 L N 1.677 122.976 121.223 0.126 0.000 2.470 434 L HA -0.022 4.318 4.340 -0.000 0.000 0.243 434 L C 1.525 178.559 176.870 0.273 0.000 1.227 434 L CA 0.671 55.614 54.840 0.172 0.000 0.824 434 L CB 0.179 42.336 42.059 0.162 0.000 1.175 434 L HN 0.230 nan 8.230 nan 0.000 0.503 435 N N -1.261 117.572 118.700 0.222 0.000 2.177 435 N HA 0.037 4.777 4.740 -0.000 0.000 0.218 435 N C -0.748 174.879 175.510 0.196 0.000 1.182 435 N CA -0.004 53.205 53.050 0.264 0.000 0.882 435 N CB 0.436 39.019 38.487 0.160 0.000 1.052 435 N HN 0.215 nan 8.380 nan 0.000 0.519 436 V N 2.484 122.458 119.914 0.100 0.000 2.320 436 V HA 0.168 4.288 4.120 -0.000 0.000 0.265 436 V C 0.575 176.588 176.094 -0.135 0.000 1.048 436 V CA -0.612 61.681 62.300 -0.011 0.000 0.865 436 V CB 0.143 31.940 31.823 -0.043 0.000 1.043 436 V HN 0.254 nan 8.190 nan 0.000 0.474 437 T N 1.487 115.962 114.554 -0.132 0.000 3.826 437 T HA 0.104 4.454 4.350 -0.000 0.000 0.239 437 T C 0.414 175.011 174.700 -0.171 0.000 1.007 437 T CA -0.209 61.755 62.100 -0.226 0.000 1.171 437 T CB -1.042 67.778 68.868 -0.081 0.000 1.153 437 T HN 0.616 nan 8.240 nan 0.000 0.854 438 T N 3.699 118.128 114.554 -0.209 0.000 2.779 438 T HA 0.365 4.715 4.350 -0.000 0.000 0.280 438 T C 0.378 175.005 174.700 -0.121 0.000 0.987 438 T CA -0.889 61.115 62.100 -0.160 0.000 0.966 438 T CB 1.273 70.013 68.868 -0.213 0.000 0.933 438 T HN 0.632 nan 8.240 nan 0.000 0.442 439 Q N 0.604 120.365 119.800 -0.065 0.000 2.494 439 Q HA -0.220 4.120 4.340 -0.000 0.000 0.266 439 Q C 1.572 177.560 176.000 -0.021 0.000 1.053 439 Q CA 0.588 56.377 55.803 -0.022 0.000 1.029 439 Q CB -1.979 26.752 28.738 -0.012 0.000 1.423 439 Q HN 1.021 nan 8.270 nan 0.000 0.516 440 G N 1.231 110.004 108.800 -0.045 0.000 2.476 440 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.218 440 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.218 440 G C -0.949 173.970 174.900 0.031 0.000 1.164 440 G CA 1.402 46.487 45.100 -0.026 0.000 0.768 440 G HN 0.365 nan 8.290 nan 0.000 0.560 441 P HA -0.090 nan 4.420 nan 0.000 0.215 441 P C 1.542 178.883 177.300 0.070 0.000 1.157 441 P CA 1.375 64.510 63.100 0.058 0.000 0.863 441 P CB -0.069 31.664 31.700 0.056 0.000 0.787 442 N N -0.860 117.879 118.700 0.065 0.000 2.309 442 N HA -0.123 4.617 4.740 -0.000 0.000 0.182 442 N C 1.547 177.120 175.510 0.105 0.000 1.018 442 N CA 0.678 53.777 53.050 0.082 0.000 0.876 442 N CB -0.704 37.826 38.487 0.071 0.000 0.972 442 N HN 0.032 nan 8.380 nan 0.000 0.434 443 L N -0.531 120.743 121.223 0.085 0.000 2.127 443 L HA 0.213 4.553 4.340 -0.000 0.000 0.203 443 L C 2.106 179.055 176.870 0.131 0.000 1.080 443 L CA 1.117 56.016 54.840 0.099 0.000 0.768 443 L CB -0.551 41.536 42.059 0.046 0.000 0.924 443 L HN 0.126 nan 8.230 nan 0.000 0.444 444 A N 0.201 123.084 122.820 0.105 0.000 1.948 444 A HA -0.273 4.047 4.320 -0.000 0.000 0.220 444 A C 2.194 179.835 177.584 0.094 0.000 1.177 444 A CA 2.106 54.205 52.037 0.103 0.000 0.636 444 A CB -1.022 18.031 19.000 0.088 0.000 0.815 444 A HN 0.540 nan 8.150 nan 0.000 0.449 445 L N -1.541 119.740 121.223 0.097 0.000 1.989 445 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 445 L C 2.262 179.191 176.870 0.097 0.000 1.071 445 L CA 2.573 57.460 54.840 0.078 0.000 0.749 445 L CB -1.104 41.020 42.059 0.109 0.000 0.890 445 L HN 0.504 nan 8.230 nan 0.000 0.431 446 Y N 0.190 120.509 120.300 0.032 0.000 2.102 446 Y HA -0.375 4.175 4.550 -0.000 0.000 0.280 446 Y C 2.638 178.540 175.900 0.003 0.000 1.178 446 Y CA 2.379 60.495 58.100 0.027 0.000 1.146 446 Y CB -0.102 38.377 38.460 0.033 0.000 0.968 446 Y HN 0.431 nan 8.280 nan 0.000 0.504 447 Q N -0.645 119.310 119.800 0.258 0.000 2.050 447 Q HA -0.225 4.115 4.340 -0.000 0.000 0.202 447 Q C 2.214 178.231 176.000 0.028 0.000 0.980 447 Q CA 1.624 57.515 55.803 0.147 0.000 0.840 447 Q CB -0.467 28.340 28.738 0.114 0.000 0.898 447 Q HN 0.497 nan 8.270 nan 0.000 0.424 448 L N 1.129 122.348 121.223 -0.008 0.000 1.971 448 L HA -0.217 4.122 4.340 -0.000 0.000 0.215 448 L C 2.081 178.880 176.870 -0.119 0.000 1.072 448 L CA 1.719 56.507 54.840 -0.086 0.000 0.758 448 L CB -0.696 41.251 42.059 -0.187 0.000 0.889 448 L HN 0.187 nan 8.230 nan 0.000 0.433 449 L N -0.652 120.493 121.223 -0.130 0.000 1.971 449 L HA -0.277 4.063 4.340 -0.000 0.000 0.215 449 L C 2.666 179.328 176.870 -0.346 0.000 1.072 449 L CA 1.928 56.603 54.840 -0.276 0.000 0.758 449 L CB -1.254 40.660 42.059 -0.243 0.000 0.889 449 L HN 0.515 nan 8.230 nan 0.000 0.433 450 S N -1.274 114.285 115.700 -0.235 0.000 2.387 450 S HA -0.222 4.248 4.470 -0.000 0.000 0.230 450 S C 1.901 176.409 174.600 -0.153 0.000 1.035 450 S CA 1.897 59.996 58.200 -0.169 0.000 1.014 450 S CB -1.070 62.113 63.200 -0.028 0.000 0.836 450 S HN 0.410 nan 8.310 nan 0.000 0.466 451 T N 2.892 117.369 114.554 -0.128 0.000 2.652 451 T HA -0.017 4.333 4.350 -0.000 0.000 0.267 451 T C 2.266 176.900 174.700 -0.111 0.000 1.039 451 T CA 1.556 63.586 62.100 -0.118 0.000 1.153 451 T CB -0.913 67.897 68.868 -0.097 0.000 0.863 451 T HN 0.638 nan 8.240 nan 0.000 0.428 452 A N 1.097 123.838 122.820 -0.133 0.000 1.908 452 A HA -0.013 4.307 4.320 -0.000 0.000 0.218 452 A C 2.283 179.800 177.584 -0.112 0.000 1.181 452 A CA 1.300 53.277 52.037 -0.100 0.000 0.627 452 A CB -0.943 17.979 19.000 -0.130 0.000 0.818 452 A HN 0.482 nan 8.150 nan 0.000 0.445 453 L N -1.052 120.046 121.223 -0.208 0.000 2.265 453 L HA -0.159 4.181 4.340 -0.000 0.000 0.215 453 L C 1.824 178.657 176.870 -0.061 0.000 1.117 453 L CA 0.551 55.312 54.840 -0.131 0.000 0.782 453 L CB -0.356 41.595 42.059 -0.180 0.000 0.914 453 L HN 0.546 nan 8.230 nan 0.000 0.441 454 c N 1.139 119.690 118.600 -0.083 0.000 2.694 454 c HA 0.179 4.749 4.570 -0.000 0.000 0.455 454 c C 1.637 175.704 174.090 -0.038 0.000 1.293 454 c CA -0.894 55.395 56.329 -0.066 0.000 1.614 454 c CB -2.331 40.130 42.510 -0.083 0.000 2.015 454 c HN 0.455 nan 8.230 nan 0.000 0.608 455 S N 0.941 116.634 115.700 -0.013 0.000 2.624 455 S HA 0.488 4.958 4.470 -0.000 0.000 0.263 455 S C 1.405 175.974 174.600 -0.052 0.000 1.287 455 S CA 0.152 58.347 58.200 -0.008 0.000 0.990 455 S CB 1.156 64.377 63.200 0.036 0.000 0.950 455 S HN 0.799 nan 8.310 nan 0.000 0.561 456 A N 0.555 123.333 122.820 -0.069 0.000 2.024 456 A HA -0.033 4.287 4.320 -0.000 0.000 0.220 456 A C 2.012 179.501 177.584 -0.159 0.000 1.164 456 A CA 1.445 53.417 52.037 -0.108 0.000 0.643 456 A CB -0.947 17.987 19.000 -0.111 0.000 0.806 456 A HN 0.833 nan 8.150 nan 0.000 0.451 457 L N -0.318 120.797 121.223 -0.180 0.000 2.044 457 L HA -0.083 4.257 4.340 -0.000 0.000 0.205 457 L C 2.338 178.958 176.870 -0.416 0.000 1.075 457 L CA 2.522 57.157 54.840 -0.342 0.000 0.747 457 L CB -0.540 41.294 42.059 -0.376 0.000 0.903 457 L HN 0.554 nan 8.230 nan 0.000 0.435 458 E N 0.202 120.306 120.200 -0.160 0.000 2.001 458 E HA -0.278 4.072 4.350 -0.000 0.000 0.195 458 E C 2.246 178.778 176.600 -0.115 0.000 1.002 458 E CA 2.196 58.624 56.400 0.047 0.000 0.819 458 E CB -0.769 28.990 29.700 0.099 0.000 0.769 458 E HN 0.464 nan 8.360 nan 0.000 0.454 459 I N 0.007 120.480 120.570 -0.161 0.000 2.300 459 I HA -0.225 3.945 4.170 -0.000 0.000 0.252 459 I C 1.947 177.879 176.117 -0.308 0.000 1.119 459 I CA 1.851 62.984 61.300 -0.278 0.000 1.384 459 I CB -0.443 37.452 38.000 -0.176 0.000 1.062 459 I HN 0.338 nan 8.210 nan 0.000 0.426 460 G N -0.127 108.530 108.800 -0.237 0.000 2.404 460 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.214 460 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.214 460 G C 1.473 176.244 174.900 -0.215 0.000 1.189 460 G CA 0.268 45.235 45.100 -0.221 0.000 0.789 460 G HN 0.309 nan 8.290 nan 0.000 0.533 461 E N 0.467 120.534 120.200 -0.223 0.000 2.110 461 E HA -0.065 4.285 4.350 -0.000 0.000 0.193 461 E C 2.850 179.381 176.600 -0.114 0.000 0.988 461 E CA 0.443 56.757 56.400 -0.145 0.000 0.804 461 E CB -0.451 29.195 29.700 -0.090 0.000 0.745 461 E HN 0.269 nan 8.360 nan 0.000 0.458 462 V N 1.104 120.914 119.914 -0.172 0.000 2.343 462 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 462 V C 2.387 178.341 176.094 -0.233 0.000 1.051 462 V CA 1.269 63.434 62.300 -0.225 0.000 1.036 462 V CB -0.418 31.160 31.823 -0.408 0.000 0.654 462 V HN 0.159 nan 8.190 nan 0.000 0.451 463 L N -0.227 120.823 121.223 -0.289 0.000 1.994 463 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 463 L C 2.559 179.361 176.870 -0.112 0.000 1.071 463 L CA 2.081 56.797 54.840 -0.207 0.000 0.745 463 L CB -1.065 40.870 42.059 -0.207 0.000 0.892 463 L HN 0.309 nan 8.230 nan 0.000 0.431 464 R N -0.048 120.389 120.500 -0.105 0.000 2.112 464 R HA -0.185 4.155 4.340 -0.000 0.000 0.242 464 R C 2.204 178.484 176.300 -0.033 0.000 1.137 464 R CA 2.013 58.075 56.100 -0.064 0.000 0.944 464 R CB -1.290 28.972 30.300 -0.064 0.000 0.857 464 R HN 0.368 nan 8.270 nan 0.000 0.435 465 G N 0.329 109.111 108.800 -0.030 0.000 2.418 465 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 465 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 465 G C 1.525 176.434 174.900 0.016 0.000 1.158 465 G CA 1.001 46.106 45.100 0.009 0.000 0.771 465 G HN 0.317 nan 8.290 nan 0.000 0.545 466 L N 0.634 121.854 121.223 -0.005 0.000 2.012 466 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 466 L C 3.446 180.325 176.870 0.014 0.000 1.073 466 L CA 1.229 56.078 54.840 0.014 0.000 0.748 466 L CB -0.437 41.630 42.059 0.013 0.000 0.891 466 L HN 0.324 nan 8.230 nan 0.000 0.431 467 A N -0.124 122.695 122.820 -0.001 0.000 1.877 467 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 467 A C 2.125 179.714 177.584 0.008 0.000 1.186 467 A CA 1.420 53.457 52.037 0.001 0.000 0.620 467 A CB -0.720 18.273 19.000 -0.011 0.000 0.822 467 A HN 0.393 nan 8.150 nan 0.000 0.443 468 L N -0.864 120.365 121.223 0.010 0.000 2.610 468 L HA 0.119 4.459 4.340 -0.000 0.000 0.232 468 L C 1.657 178.543 176.870 0.027 0.000 1.149 468 L CA 0.482 55.333 54.840 0.017 0.000 0.872 468 L CB -0.395 41.675 42.059 0.018 0.000 0.992 468 L HN 0.626 nan 8.230 nan 0.000 0.447 469 G N 0.242 109.061 108.800 0.032 0.000 2.179 469 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.257 469 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.257 469 G C 0.942 175.875 174.900 0.054 0.000 1.010 469 G CA 0.759 45.883 45.100 0.040 0.000 0.736 469 G HN 0.428 nan 8.290 nan 0.000 0.513 470 T N -3.075 111.525 114.554 0.075 0.000 2.976 470 T HA 0.316 4.666 4.350 -0.000 0.000 0.257 470 T C 0.839 175.661 174.700 0.203 0.000 1.051 470 T CA 1.356 63.526 62.100 0.118 0.000 1.141 470 T CB 0.412 69.372 68.868 0.153 0.000 0.881 470 T HN 0.421 nan 8.240 nan 0.000 0.461 471 E N 1.705 122.002 120.200 0.162 0.000 2.175 471 E HA 0.465 4.815 4.350 -0.000 0.000 0.278 471 E C 1.102 177.757 176.600 0.093 0.000 0.969 471 E CA -0.209 56.276 56.400 0.142 0.000 0.796 471 E CB 1.815 31.530 29.700 0.025 0.000 1.104 471 E HN 0.242 nan 8.360 nan 0.000 0.395 472 S N 3.144 118.900 115.700 0.092 0.000 2.406 472 S HA 0.099 4.569 4.470 -0.000 0.000 0.228 472 S C 1.509 176.150 174.600 0.068 0.000 1.020 472 S CA 0.450 58.687 58.200 0.061 0.000 0.965 472 S CB -0.397 62.826 63.200 0.038 0.000 0.798 472 S HN 1.188 nan 8.310 nan 0.000 0.488 473 G N 0.788 109.638 108.800 0.083 0.000 2.132 473 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.228 473 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.228 473 G C 0.366 175.377 174.900 0.186 0.000 1.000 473 G CA 0.320 45.513 45.100 0.154 0.000 0.693 473 G HN 0.617 nan 8.290 nan 0.000 0.515 474 L N -0.625 120.647 121.223 0.081 0.000 2.056 474 L HA 0.562 4.902 4.340 -0.000 0.000 0.207 474 L C 0.944 177.920 176.870 0.176 0.000 1.078 474 L CA 2.144 56.992 54.840 0.013 0.000 0.749 474 L CB -0.174 41.758 42.059 -0.212 0.000 0.901 474 L HN 0.582 nan 8.230 nan 0.000 0.433 475 F N -1.028 118.921 119.950 -0.002 0.000 2.599 475 F HA 0.600 5.127 4.527 -0.000 0.000 0.311 475 F C -0.654 175.098 175.800 -0.080 0.000 1.076 475 F CA -0.319 57.748 58.000 0.112 0.000 0.937 475 F CB 1.588 40.583 39.000 -0.008 0.000 1.282 475 F HN -0.201 nan 8.300 nan 0.000 0.460 476 S N 4.612 119.309 115.700 -1.670 0.000 2.560 476 S HA 0.365 4.835 4.470 -0.000 0.000 0.283 476 S C -2.550 171.204 174.600 -1.410 0.000 1.141 476 S CA -0.989 56.358 58.200 -1.421 0.000 0.902 476 S CB 1.878 64.483 63.200 -0.991 0.000 1.104 476 S HN 0.486 nan 8.310 nan 0.000 0.454 477 P HA 0.016 nan 4.420 nan 0.000 0.226 477 P C 1.265 178.396 177.300 -0.283 0.000 1.146 477 P CA 0.763 63.629 63.100 -0.391 0.000 0.773 477 P CB -0.404 31.176 31.700 -0.200 0.000 0.772 478 c N -1.696 116.682 118.600 -0.370 0.000 2.457 478 c HA -0.084 4.486 4.570 -0.000 0.000 0.278 478 c C 2.480 176.495 174.090 -0.124 0.000 1.309 478 c CA 0.324 56.523 56.329 -0.216 0.000 1.735 478 c CB -2.133 40.304 42.510 -0.122 0.000 1.992 478 c HN 0.181 nan 8.230 nan 0.000 0.493 479 Y N 0.948 121.140 120.300 -0.180 0.000 2.446 479 Y HA -0.074 4.476 4.550 -0.000 0.000 0.287 479 Y C 1.791 177.641 175.900 -0.084 0.000 1.159 479 Y CA 1.036 59.046 58.100 -0.151 0.000 1.297 479 Y CB -0.752 37.623 38.460 -0.141 0.000 0.974 479 Y HN 0.306 nan 8.280 nan 0.000 0.557 480 L N -1.937 119.334 121.223 0.079 0.000 3.039 480 L HA 0.183 4.523 4.340 -0.000 0.000 0.269 480 L C 1.040 177.928 176.870 0.030 0.000 1.169 480 L CA 0.017 54.900 54.840 0.072 0.000 0.986 480 L CB -0.133 42.005 42.059 0.131 0.000 1.377 480 L HN -0.083 nan 8.230 nan 0.000 0.575 481 S N 0.206 115.883 115.700 -0.038 0.000 2.589 481 S HA 0.241 4.711 4.470 -0.000 0.000 0.265 481 S C 0.581 175.040 174.600 -0.234 0.000 1.342 481 S CA -0.230 57.904 58.200 -0.109 0.000 1.005 481 S CB 0.454 63.567 63.200 -0.144 0.000 0.909 481 S HN 0.222 nan 8.310 nan 0.000 0.555 482 L N 0.894 121.939 121.223 -0.296 0.000 2.978 482 L HA 0.338 4.678 4.340 -0.000 0.000 0.239 482 L C 1.059 177.360 176.870 -0.947 0.000 1.293 482 L CA -0.156 54.337 54.840 -0.578 0.000 1.085 482 L CB -0.263 41.735 42.059 -0.103 0.000 1.432 482 L HN 0.568 nan 8.230 nan 0.000 0.512 483 R N 0.999 121.030 120.500 -0.782 0.000 2.369 483 R HA 0.207 4.547 4.340 -0.000 0.000 0.310 483 R C -0.501 175.510 176.300 -0.481 0.000 1.141 483 R CA -0.424 55.382 56.100 -0.489 0.000 1.116 483 R CB 0.215 30.385 30.300 -0.217 0.000 1.135 483 R HN 0.103 nan 8.270 nan 0.000 0.529 484 F N 1.176 121.155 119.950 0.049 0.000 2.713 484 F HA 0.134 4.661 4.527 -0.000 0.000 0.294 484 F C 1.418 177.243 175.800 0.042 0.000 1.152 484 F CA -0.484 57.542 58.000 0.044 0.000 1.385 484 F CB 0.194 39.225 39.000 0.052 0.000 0.981 484 F HN 0.418 nan 8.300 nan 0.000 0.514 485 D N 0.877 121.346 120.400 0.116 0.000 2.240 485 D HA -0.032 4.608 4.640 -0.000 0.000 0.206 485 D C 0.706 177.051 176.300 0.075 0.000 0.963 485 D CA 0.471 54.526 54.000 0.092 0.000 0.863 485 D CB 0.130 40.963 40.800 0.055 0.000 0.973 485 D HN 0.118 nan 8.370 nan 0.000 0.501 486 L N 1.621 122.886 121.223 0.071 0.000 2.530 486 L HA 0.357 4.697 4.340 -0.000 0.000 0.273 486 L C 0.593 177.515 176.870 0.086 0.000 1.141 486 L CA -0.236 54.651 54.840 0.078 0.000 0.905 486 L CB -0.381 41.743 42.059 0.109 0.000 1.202 486 L HN 0.021 nan 8.230 nan 0.000 0.473 487 T N -0.437 114.159 114.554 0.069 0.000 2.841 487 T HA 0.532 4.882 4.350 -0.000 0.000 0.276 487 T C 1.058 175.792 174.700 0.057 0.000 1.003 487 T CA -0.654 61.482 62.100 0.061 0.000 0.995 487 T CB 1.340 70.238 68.868 0.049 0.000 1.260 487 T HN 0.479 nan 8.240 nan 0.000 0.581 488 R N 0.815 121.342 120.500 0.046 0.000 2.112 488 R HA -0.133 4.207 4.340 -0.000 0.000 0.242 488 R C 1.738 178.057 176.300 0.031 0.000 1.137 488 R CA 2.464 58.588 56.100 0.040 0.000 0.944 488 R CB -1.321 28.996 30.300 0.029 0.000 0.857 488 R HN 0.777 nan 8.270 nan 0.000 0.435 489 D N -0.416 119.998 120.400 0.024 0.000 2.091 489 D HA -0.134 4.506 4.640 -0.000 0.000 0.199 489 D C 1.695 178.001 176.300 0.010 0.000 0.980 489 D CA 1.190 55.198 54.000 0.014 0.000 0.831 489 D CB -0.255 40.553 40.800 0.012 0.000 0.987 489 D HN 0.084 nan 8.370 nan 0.000 0.460 490 K N 1.525 121.936 120.400 0.017 0.000 2.074 490 K HA -0.133 4.187 4.320 -0.000 0.000 0.209 490 K C 2.224 178.828 176.600 0.007 0.000 1.048 490 K CA 0.926 57.220 56.287 0.012 0.000 0.926 490 K CB -0.727 31.787 32.500 0.024 0.000 0.713 490 K HN 0.080 nan 8.250 nan 0.000 0.444 491 L N 0.037 121.276 121.223 0.027 0.000 2.083 491 L HA -0.113 4.227 4.340 -0.000 0.000 0.209 491 L C 2.386 179.250 176.870 -0.009 0.000 1.083 491 L CA 1.010 55.865 54.840 0.026 0.000 0.752 491 L CB -0.268 41.841 42.059 0.083 0.000 0.899 491 L HN 0.224 nan 8.230 nan 0.000 0.433 492 L N -1.209 120.012 121.223 -0.003 0.000 2.265 492 L HA -0.195 4.145 4.340 -0.000 0.000 0.215 492 L C 2.452 179.302 176.870 -0.034 0.000 1.117 492 L CA 0.749 55.579 54.840 -0.017 0.000 0.782 492 L CB -0.047 42.007 42.059 -0.008 0.000 0.914 492 L HN 0.259 nan 8.230 nan 0.000 0.441 493 S N -0.639 115.039 115.700 -0.035 0.000 2.357 493 S HA -0.152 4.318 4.470 -0.000 0.000 0.221 493 S C 1.750 176.310 174.600 -0.067 0.000 1.031 493 S CA 1.168 59.338 58.200 -0.050 0.000 0.982 493 S CB -0.136 63.036 63.200 -0.047 0.000 0.853 493 S HN 0.271 nan 8.310 nan 0.000 0.458 494 M N 1.750 121.307 119.600 -0.071 0.000 2.374 494 M HA 0.164 4.644 4.480 -0.000 0.000 0.264 494 M C 0.916 177.152 176.300 -0.107 0.000 1.067 494 M CA 0.149 55.392 55.300 -0.095 0.000 1.103 494 M CB -0.776 31.762 32.600 -0.103 0.000 1.402 494 M HN 0.226 nan 8.290 nan 0.000 0.444 495 A N 2.133 124.898 122.820 -0.092 0.000 2.561 495 A HA 0.196 4.516 4.320 -0.000 0.000 0.234 495 A C -2.022 175.511 177.584 -0.085 0.000 1.055 495 A CA -0.930 51.053 52.037 -0.091 0.000 0.756 495 A CB -1.021 17.938 19.000 -0.067 0.000 0.986 495 A HN 0.220 nan 8.150 nan 0.000 0.505 496 P HA 0.072 nan 4.420 nan 0.000 0.271 496 P C -1.010 176.254 177.300 -0.060 0.000 1.220 496 P CA 0.107 63.160 63.100 -0.078 0.000 0.768 496 P CB 0.663 32.317 31.700 -0.077 0.000 0.848 497 Q N 3.020 122.785 119.800 -0.058 0.000 2.503 497 Q HA 0.305 4.645 4.340 -0.000 0.000 0.227 497 Q C -0.283 175.693 176.000 -0.040 0.000 1.109 497 Q CA 0.200 55.974 55.803 -0.047 0.000 0.922 497 Q CB 0.935 29.644 28.738 -0.049 0.000 1.249 497 Q HN 0.540 nan 8.270 nan 0.000 0.530 498 E N 0.034 120.214 120.200 -0.034 0.000 2.352 498 E HA 0.403 4.753 4.350 -0.000 0.000 0.280 498 E C -0.353 176.234 176.600 -0.022 0.000 0.930 498 E CA -0.434 55.949 56.400 -0.028 0.000 0.765 498 E CB 1.557 31.239 29.700 -0.029 0.000 1.219 498 E HN 0.472 nan 8.360 nan 0.000 0.434 499 A N 1.212 124.021 122.820 -0.018 0.000 2.167 499 A HA -0.044 4.276 4.320 -0.000 0.000 0.214 499 A C 1.526 179.104 177.584 -0.011 0.000 1.151 499 A CA 1.044 53.073 52.037 -0.014 0.000 0.735 499 A CB -0.331 18.663 19.000 -0.012 0.000 0.802 499 A HN 0.550 nan 8.150 nan 0.000 0.467 500 T N -0.217 114.329 114.554 -0.012 0.000 3.118 500 T HA 0.231 4.581 4.350 -0.000 0.000 0.260 500 T C -0.022 174.673 174.700 -0.009 0.000 1.139 500 T CA 0.500 62.594 62.100 -0.009 0.000 1.085 500 T CB -0.305 68.558 68.868 -0.010 0.000 0.934 500 T HN 0.155 nan 8.240 nan 0.000 0.518 501 L N 1.616 122.832 121.223 -0.012 0.000 2.333 501 L HA 0.419 4.759 4.340 -0.000 0.000 0.280 501 L C -0.243 176.620 176.870 -0.011 0.000 1.004 501 L CA -0.970 53.863 54.840 -0.012 0.000 0.820 501 L CB 1.450 43.498 42.059 -0.019 0.000 1.247 501 L HN -0.120 nan 8.230 nan 0.000 0.416 502 D N 2.136 122.532 120.400 -0.007 0.000 2.368 502 D HA -0.031 4.609 4.640 -0.000 0.000 0.268 502 D C 1.110 177.406 176.300 -0.007 0.000 1.298 502 D CA 0.328 54.325 54.000 -0.005 0.000 0.938 502 D CB 0.864 41.663 40.800 -0.001 0.000 1.101 502 D HN 0.389 nan 8.370 nan 0.000 0.509 503 Q N 3.072 122.867 119.800 -0.008 0.000 2.217 503 Q HA -0.266 4.074 4.340 -0.000 0.000 0.209 503 Q C 1.722 177.718 176.000 -0.006 0.000 0.988 503 Q CA 1.629 57.426 55.803 -0.009 0.000 0.878 503 Q CB -0.259 28.473 28.738 -0.009 0.000 0.909 503 Q HN 0.694 nan 8.270 nan 0.000 0.424 504 A N 0.697 123.515 122.820 -0.003 0.000 1.872 504 A HA 0.021 4.341 4.320 -0.000 0.000 0.214 504 A C 2.356 179.941 177.584 0.001 0.000 1.187 504 A CA 1.578 53.615 52.037 -0.001 0.000 0.614 504 A CB -0.661 18.339 19.000 0.001 0.000 0.826 504 A HN 0.366 nan 8.150 nan 0.000 0.442 505 A N -0.288 122.533 122.820 0.001 0.000 1.908 505 A HA -0.048 4.272 4.320 -0.000 0.000 0.218 505 A C 2.216 179.801 177.584 0.001 0.000 1.181 505 A CA 1.925 53.964 52.037 0.003 0.000 0.627 505 A CB -1.061 17.940 19.000 0.003 0.000 0.818 505 A HN 0.425 nan 8.150 nan 0.000 0.445 506 V N -0.394 119.517 119.914 -0.005 0.000 2.287 506 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 506 V C 2.776 178.868 176.094 -0.003 0.000 1.053 506 V CA 2.394 64.688 62.300 -0.011 0.000 1.027 506 V CB -1.083 30.729 31.823 -0.018 0.000 0.646 506 V HN 0.665 nan 8.190 nan 0.000 0.447 507 S N 0.341 116.041 115.700 0.000 0.000 2.365 507 S HA -0.268 4.202 4.470 -0.000 0.000 0.225 507 S C 1.952 176.562 174.600 0.016 0.000 1.039 507 S CA 2.073 60.277 58.200 0.007 0.000 1.033 507 S CB -0.539 62.664 63.200 0.005 0.000 0.887 507 S HN 0.695 nan 8.310 nan 0.000 0.447 508 N N 1.743 120.452 118.700 0.015 0.000 2.104 508 N HA -0.085 4.655 4.740 -0.000 0.000 0.190 508 N C 1.962 177.493 175.510 0.035 0.000 1.024 508 N CA 1.392 54.456 53.050 0.022 0.000 0.853 508 N CB -0.907 37.591 38.487 0.018 0.000 1.008 508 N HN 0.529 nan 8.380 nan 0.000 0.424 509 A N 1.242 124.080 122.820 0.030 0.000 1.865 509 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 509 A C 2.590 180.217 177.584 0.071 0.000 1.191 509 A CA 1.723 53.784 52.037 0.041 0.000 0.623 509 A CB -0.940 18.064 19.000 0.006 0.000 0.826 509 A HN 0.110 nan 8.150 nan 0.000 0.444 510 V N 0.726 120.668 119.914 0.048 0.000 2.287 510 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 510 V C 2.218 178.380 176.094 0.114 0.000 1.053 510 V CA 2.335 64.679 62.300 0.074 0.000 1.027 510 V CB -0.911 30.934 31.823 0.037 0.000 0.646 510 V HN 0.525 nan 8.190 nan 0.000 0.447 511 D N 0.544 120.989 120.400 0.074 0.000 2.097 511 D HA -0.121 4.519 4.640 -0.000 0.000 0.195 511 D C 2.222 178.565 176.300 0.072 0.000 0.989 511 D CA 1.804 55.841 54.000 0.061 0.000 0.827 511 D CB -0.410 40.412 40.800 0.036 0.000 0.966 511 D HN 0.491 nan 8.370 nan 0.000 0.456 512 G N 0.593 109.442 108.800 0.083 0.000 2.459 512 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.217 512 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.217 512 G C 1.504 176.478 174.900 0.123 0.000 1.183 512 G CA 0.438 45.588 45.100 0.082 0.000 0.776 512 G HN 0.191 nan 8.290 nan 0.000 0.552 513 F N 0.988 120.953 119.950 0.025 0.000 2.065 513 F HA -0.090 4.437 4.527 -0.000 0.000 0.298 513 F C 2.417 178.251 175.800 0.056 0.000 1.112 513 F CA 1.570 59.604 58.000 0.056 0.000 1.212 513 F CB -0.570 38.453 39.000 0.040 0.000 0.975 513 F HN 0.111 nan 8.300 nan 0.000 0.476 514 L N 0.462 121.746 121.223 0.102 0.000 2.081 514 L HA -0.085 4.255 4.340 -0.000 0.000 0.212 514 L C 2.415 179.242 176.870 -0.071 0.000 1.080 514 L CA 2.202 57.041 54.840 -0.001 0.000 0.754 514 L CB -1.470 40.623 42.059 0.058 0.000 0.893 514 L HN 0.237 nan 8.230 nan 0.000 0.433 515 G N -1.055 107.715 108.800 -0.050 0.000 2.434 515 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.214 515 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.214 515 G C 1.751 176.568 174.900 -0.139 0.000 1.202 515 G CA 0.685 45.741 45.100 -0.073 0.000 0.788 515 G HN 0.414 nan 8.290 nan 0.000 0.539 516 R N -0.145 120.249 120.500 -0.177 0.000 2.193 516 R HA 0.127 4.467 4.340 -0.000 0.000 0.229 516 R C 2.421 178.467 176.300 -0.423 0.000 1.110 516 R CA 0.800 56.725 56.100 -0.292 0.000 0.988 516 R CB -0.312 29.808 30.300 -0.300 0.000 0.871 516 R HN 0.416 nan 8.270 nan 0.000 0.458 517 L N 0.320 121.323 121.223 -0.367 0.000 2.109 517 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 517 L C 2.111 178.872 176.870 -0.182 0.000 1.086 517 L CA 1.620 56.278 54.840 -0.303 0.000 0.760 517 L CB -0.164 41.700 42.059 -0.324 0.000 0.910 517 L HN 0.347 nan 8.230 nan 0.000 0.437 518 S N -1.268 114.344 115.700 -0.145 0.000 2.522 518 S HA -0.025 4.445 4.470 -0.000 0.000 0.227 518 S C 1.661 176.194 174.600 -0.112 0.000 0.986 518 S CA 0.348 58.492 58.200 -0.092 0.000 0.929 518 S CB -0.120 63.041 63.200 -0.065 0.000 0.769 518 S HN 0.438 nan 8.310 nan 0.000 0.529 519 L N -0.006 121.122 121.223 -0.158 0.000 2.362 519 L HA 0.314 4.654 4.340 -0.000 0.000 0.204 519 L C 2.787 179.550 176.870 -0.178 0.000 1.060 519 L CA 0.798 55.543 54.840 -0.157 0.000 0.827 519 L CB -0.336 41.624 42.059 -0.165 0.000 1.027 519 L HN 0.257 nan 8.230 nan 0.000 0.474 520 E N 0.747 120.795 120.200 -0.253 0.000 2.150 520 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 520 E C 1.044 177.552 176.600 -0.155 0.000 0.985 520 E CA 0.746 56.994 56.400 -0.253 0.000 0.814 520 E CB 0.274 29.676 29.700 -0.497 0.000 0.752 520 E HN 0.110 nan 8.360 nan 0.000 0.466 521 R N 0.063 120.486 120.500 -0.128 0.000 2.604 521 R HA 0.357 4.697 4.340 -0.000 0.000 0.287 521 R C -0.646 175.610 176.300 -0.074 0.000 0.970 521 R CA -0.412 55.651 56.100 -0.062 0.000 0.946 521 R CB 0.983 31.290 30.300 0.010 0.000 1.127 521 R HN -0.038 nan 8.270 nan 0.000 0.473 522 E N 1.109 121.250 120.200 -0.098 0.000 2.423 522 E HA 0.157 4.507 4.350 -0.000 0.000 0.269 522 E C -0.615 175.877 176.600 -0.180 0.000 0.948 522 E CA -0.801 55.508 56.400 -0.152 0.000 0.802 522 E CB 1.518 31.079 29.700 -0.233 0.000 1.339 522 E HN 0.571 nan 8.360 nan 0.000 0.445 523 D N 0.005 120.270 120.400 -0.225 0.000 2.234 523 D HA -0.038 4.602 4.640 -0.000 0.000 0.205 523 D C 1.658 177.605 176.300 -0.589 0.000 0.962 523 D CA 0.632 54.498 54.000 -0.224 0.000 0.855 523 D CB 0.154 40.925 40.800 -0.048 0.000 0.951 523 D HN 0.227 nan 8.370 nan 0.000 0.500 524 R N 0.774 120.709 120.500 -0.942 0.000 2.127 524 R HA -0.167 4.173 4.340 -0.000 0.000 0.238 524 R C 1.017 176.527 176.300 -1.316 0.000 1.134 524 R CA 1.380 56.306 56.100 -1.956 0.000 0.975 524 R CB 0.005 29.504 30.300 -1.334 0.000 0.865 524 R HN 0.037 nan 8.270 nan 0.000 0.447 525 D N 0.480 120.482 120.400 -0.663 0.000 2.127 525 D HA -0.195 4.445 4.640 -0.000 0.000 0.190 525 D C 1.109 177.246 176.300 -0.272 0.000 1.000 525 D CA 2.001 55.785 54.000 -0.359 0.000 0.839 525 D CB -0.271 40.439 40.800 -0.150 0.000 0.955 525 D HN 0.399 nan 8.370 nan 0.000 0.446 526 A N -0.449 122.248 122.820 -0.205 0.000 2.281 526 A HA 0.001 4.321 4.320 -0.000 0.000 0.231 526 A C 0.907 178.367 177.584 -0.207 0.000 1.317 526 A CA -0.183 51.819 52.037 -0.059 0.000 0.959 526 A CB -0.886 18.226 19.000 0.186 0.000 0.900 526 A HN 0.225 nan 8.150 nan 0.000 0.497 527 W N -0.883 120.103 121.300 -0.523 0.000 2.481 527 W HA 0.040 4.700 4.660 -0.000 0.000 0.293 527 W C 1.526 177.924 176.519 -0.201 0.000 1.201 527 W CA 0.769 57.782 57.345 -0.553 0.000 1.328 527 W CB -0.868 28.298 29.460 -0.490 0.000 1.112 527 W HN 0.527 nan 8.180 nan 0.000 0.546 528 H N 0.108 119.253 119.070 0.125 0.000 2.570 528 H HA 0.074 4.630 4.556 -0.000 0.000 0.280 528 H C 0.218 175.597 175.328 0.085 0.000 1.038 528 H CA 0.633 56.734 56.048 0.088 0.000 1.186 528 H CB -0.860 28.937 29.762 0.058 0.000 1.339 528 H HN -0.057 nan 8.280 nan 0.000 0.615 529 L N 1.101 122.448 121.223 0.207 0.000 2.282 529 L HA 0.168 4.508 4.340 -0.000 0.000 0.288 529 L C -1.136 175.848 176.870 0.190 0.000 1.033 529 L CA -1.901 53.053 54.840 0.191 0.000 0.807 529 L CB 1.928 44.115 42.059 0.212 0.000 1.209 529 L HN -0.100 nan 8.230 nan 0.000 0.423 530 P HA -0.212 nan 4.420 nan 0.000 0.215 530 P C 1.263 178.633 177.300 0.116 0.000 1.157 530 P CA 1.317 64.485 63.100 0.113 0.000 0.874 530 P CB 0.300 32.049 31.700 0.082 0.000 0.790 531 A N -2.046 120.846 122.820 0.121 0.000 2.067 531 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 531 A C 2.116 179.769 177.584 0.115 0.000 1.158 531 A CA 0.907 53.000 52.037 0.094 0.000 0.661 531 A CB -1.777 17.270 19.000 0.079 0.000 0.801 531 A HN 0.132 nan 8.150 nan 0.000 0.452 532 Y N 1.482 121.817 120.300 0.058 0.000 2.102 532 Y HA -0.319 4.231 4.550 -0.000 0.000 0.280 532 Y C 1.957 177.862 175.900 0.008 0.000 1.178 532 Y CA 2.482 60.615 58.100 0.055 0.000 1.146 532 Y CB -0.260 38.256 38.460 0.093 0.000 0.968 532 Y HN 0.366 nan 8.280 nan 0.000 0.504 533 K N -1.121 119.344 120.400 0.109 0.000 2.520 533 K HA -0.139 4.181 4.320 -0.000 0.000 0.197 533 K C 1.355 177.914 176.600 -0.068 0.000 1.043 533 K CA 0.956 57.246 56.287 0.005 0.000 0.944 533 K CB -0.492 32.024 32.500 0.026 0.000 0.770 533 K HN 0.324 nan 8.250 nan 0.000 0.480 534 c N 0.599 119.151 118.600 -0.080 0.000 2.855 534 c HA 0.190 4.760 4.570 -0.000 0.000 0.279 534 c C 0.418 174.440 174.090 -0.113 0.000 1.270 534 c CA -0.729 55.552 56.329 -0.080 0.000 1.702 534 c CB -0.593 41.889 42.510 -0.047 0.000 1.949 534 c HN 0.019 nan 8.230 nan 0.000 0.618 535 V N 2.011 121.813 119.914 -0.187 0.000 2.328 535 V HA 0.239 4.359 4.120 -0.000 0.000 0.278 535 V C 0.227 176.217 176.094 -0.173 0.000 1.021 535 V CA -0.010 62.180 62.300 -0.182 0.000 0.838 535 V CB 1.093 32.774 31.823 -0.236 0.000 0.999 535 V HN 0.241 nan 8.190 nan 0.000 0.447 536 D N 3.100 123.430 120.400 -0.116 0.000 2.087 536 D HA -0.022 4.618 4.640 -0.000 0.000 0.203 536 D C 1.185 177.433 176.300 -0.087 0.000 0.976 536 D CA 1.290 55.233 54.000 -0.094 0.000 0.865 536 D CB 0.110 40.866 40.800 -0.073 0.000 1.005 536 D HN 0.407 nan 8.370 nan 0.000 0.449 537 R N 1.945 122.404 120.500 -0.067 0.000 3.266 537 R HA 0.147 4.487 4.340 -0.000 0.000 0.224 537 R C 1.287 177.553 176.300 -0.057 0.000 1.525 537 R CA -0.091 55.979 56.100 -0.049 0.000 1.364 537 R CB -0.175 30.110 30.300 -0.026 0.000 1.276 537 R HN 0.321 nan 8.270 nan 0.000 0.660 538 L N -0.644 120.525 121.223 -0.090 0.000 2.362 538 L HA -0.065 4.275 4.340 -0.000 0.000 0.219 538 L C 1.422 178.245 176.870 -0.078 0.000 1.134 538 L CA 1.128 55.898 54.840 -0.117 0.000 0.807 538 L CB -0.297 41.646 42.059 -0.194 0.000 0.927 538 L HN 0.295 nan 8.230 nan 0.000 0.447 539 D N 0.741 121.114 120.400 -0.046 0.000 2.269 539 D HA -0.190 4.450 4.640 -0.000 0.000 0.208 539 D C 0.999 177.300 176.300 0.003 0.000 0.963 539 D CA 0.859 54.844 54.000 -0.025 0.000 0.864 539 D CB -0.197 40.596 40.800 -0.012 0.000 0.936 539 D HN 0.531 nan 8.370 nan 0.000 0.505 540 K N 0.991 121.398 120.400 0.012 0.000 2.577 540 K HA 0.234 4.554 4.320 -0.000 0.000 0.210 540 K C -0.290 176.349 176.600 0.065 0.000 1.048 540 K CA -0.206 56.107 56.287 0.042 0.000 1.188 540 K CB 1.555 34.084 32.500 0.049 0.000 0.910 540 K HN 0.004 nan 8.250 nan 0.000 0.483 541 V N 2.404 122.354 119.914 0.060 0.000 2.364 541 V HA 0.109 4.229 4.120 -0.000 0.000 0.272 541 V C 1.437 177.645 176.094 0.191 0.000 1.036 541 V CA -0.216 62.149 62.300 0.109 0.000 0.880 541 V CB 1.110 32.976 31.823 0.072 0.000 0.991 541 V HN 0.293 nan 8.190 nan 0.000 0.460 542 L N 4.508 125.840 121.223 0.183 0.000 2.049 542 L HA 0.208 4.548 4.340 -0.000 0.000 0.203 542 L C 0.757 177.764 176.870 0.229 0.000 1.074 542 L CA 1.350 56.297 54.840 0.178 0.000 0.749 542 L CB -0.067 42.055 42.059 0.106 0.000 0.907 542 L HN 0.738 nan 8.230 nan 0.000 0.439 543 M N -0.132 119.598 119.600 0.217 0.000 2.449 543 M HA 0.432 4.912 4.480 -0.000 0.000 0.291 543 M C -1.780 174.638 176.300 0.196 0.000 1.148 543 M CA -0.717 54.683 55.300 0.166 0.000 0.925 543 M CB 2.332 34.945 32.600 0.022 0.000 1.767 543 M HN 0.023 nan 8.290 nan 0.000 0.503 544 I N 1.190 121.891 120.570 0.218 0.000 2.412 544 I HA 0.639 4.809 4.170 -0.000 0.000 0.296 544 I C -1.194 175.016 176.117 0.155 0.000 0.987 544 I CA -0.952 60.480 61.300 0.220 0.000 1.180 544 I CB 1.683 39.854 38.000 0.285 0.000 1.340 544 I HN 0.757 nan 8.210 nan 0.000 0.455 545 I N 6.382 127.059 120.570 0.179 0.000 2.388 545 I HA 0.364 4.534 4.170 -0.000 0.000 0.281 545 I C -2.439 173.765 176.117 0.145 0.000 1.046 545 I CA -1.891 59.494 61.300 0.142 0.000 1.187 545 I CB 1.155 39.255 38.000 0.166 0.000 1.351 545 I HN 0.297 nan 8.210 nan 0.000 0.472 546 P HA 0.156 nan 4.420 nan 0.000 0.269 546 P C -0.525 176.771 177.300 -0.005 0.000 1.252 546 P CA -0.064 63.069 63.100 0.054 0.000 0.780 546 P CB 0.628 32.356 31.700 0.046 0.000 0.829 547 L N 3.705 124.967 121.223 0.066 0.000 2.492 547 L HA 0.392 4.732 4.340 -0.000 0.000 0.263 547 L C 1.754 178.686 176.870 0.104 0.000 1.062 547 L CA -0.555 54.338 54.840 0.088 0.000 0.817 547 L CB 0.132 42.340 42.059 0.248 0.000 1.441 547 L HN 0.263 nan 8.230 nan 0.000 0.493 548 I N 0.131 120.808 120.570 0.178 0.000 2.072 548 I HA -0.213 3.957 4.170 -0.000 0.000 0.235 548 I C 1.276 177.470 176.117 0.129 0.000 1.058 548 I CA 1.284 62.684 61.300 0.167 0.000 1.320 548 I CB -0.231 37.898 38.000 0.215 0.000 1.047 548 I HN 0.613 nan 8.210 nan 0.000 0.397 549 N N 0.081 118.865 118.700 0.140 0.000 2.299 549 N HA 0.106 4.846 4.740 -0.000 0.000 0.187 549 N C -0.054 175.493 175.510 0.062 0.000 1.099 549 N CA 0.387 53.497 53.050 0.100 0.000 0.867 549 N CB 1.057 39.611 38.487 0.110 0.000 0.974 549 N HN 0.307 nan 8.380 nan 0.000 0.477 550 V N -3.008 116.940 119.914 0.057 0.000 3.112 550 V HA 0.745 4.865 4.120 -0.000 0.000 0.310 550 V C -0.945 175.136 176.094 -0.022 0.000 1.364 550 V CA -0.834 61.448 62.300 -0.030 0.000 1.058 550 V CB 1.612 33.348 31.823 -0.145 0.000 1.079 550 V HN 0.065 nan 8.190 nan 0.000 0.463 551 T N -1.280 113.204 114.554 -0.116 0.000 3.293 551 T HA 0.664 5.014 4.350 -0.000 0.000 0.320 551 T C -1.154 173.488 174.700 -0.097 0.000 0.995 551 T CA -0.048 62.040 62.100 -0.019 0.000 1.041 551 T CB 0.609 69.500 68.868 0.039 0.000 1.058 551 T HN 0.619 nan 8.240 nan 0.000 0.453 552 F N 2.298 122.296 119.950 0.080 0.000 2.399 552 F HA 0.596 5.122 4.527 -0.000 0.000 0.342 552 F C 0.659 176.517 175.800 0.095 0.000 1.106 552 F CA -1.070 56.983 58.000 0.088 0.000 1.196 552 F CB 0.995 40.046 39.000 0.084 0.000 1.163 552 F HN 0.480 nan 8.300 nan 0.000 0.547 553 I N 5.237 125.966 120.570 0.267 0.000 2.437 553 I HA 0.250 4.420 4.170 -0.000 0.000 0.279 553 I C -0.960 175.284 176.117 0.212 0.000 1.028 553 I CA -0.566 60.855 61.300 0.202 0.000 1.142 553 I CB 0.948 39.023 38.000 0.124 0.000 1.266 553 I HN 0.320 nan 8.210 nan 0.000 0.461 554 I N 6.225 126.916 120.570 0.201 0.000 2.352 554 I HA 0.271 4.441 4.170 -0.000 0.000 0.290 554 I C 0.560 176.771 176.117 0.158 0.000 1.036 554 I CA 0.666 62.067 61.300 0.169 0.000 1.336 554 I CB 0.988 39.061 38.000 0.121 0.000 1.407 554 I HN 0.620 nan 8.210 nan 0.000 0.497 555 S N 2.470 118.273 115.700 0.171 0.000 2.656 555 S HA 0.488 4.958 4.470 -0.000 0.000 0.273 555 S C 0.069 174.789 174.600 0.199 0.000 1.168 555 S CA -0.283 58.014 58.200 0.162 0.000 0.817 555 S CB 1.382 64.669 63.200 0.145 0.000 1.146 555 S HN 0.473 nan 8.310 nan 0.000 0.475 556 S N -0.133 115.668 115.700 0.169 0.000 2.583 556 S HA 0.319 4.789 4.470 -0.000 0.000 0.239 556 S C -0.350 174.443 174.600 0.321 0.000 0.966 556 S CA -0.314 57.986 58.200 0.168 0.000 0.973 556 S CB -0.958 62.286 63.200 0.072 0.000 0.794 556 S HN 0.852 nan 8.310 nan 0.000 0.463 557 D N 0.708 121.332 120.400 0.373 0.000 2.934 557 D HA 0.166 4.806 4.640 -0.000 0.000 0.230 557 D C 0.089 176.346 176.300 -0.072 0.000 1.204 557 D CA -0.848 53.269 54.000 0.196 0.000 0.873 557 D CB 1.268 42.109 40.800 0.068 0.000 1.645 557 D HN 0.298 nan 8.370 nan 0.000 0.502 558 R N 0.694 120.924 120.500 -0.450 0.000 2.555 558 R HA 0.166 4.506 4.340 -0.000 0.000 0.272 558 R C -0.004 176.108 176.300 -0.312 0.000 1.089 558 R CA -0.303 55.377 56.100 -0.700 0.000 1.126 558 R CB 0.062 29.773 30.300 -0.980 0.000 1.250 558 R HN 0.234 nan 8.270 nan 0.000 0.551 559 E N 0.889 120.982 120.200 -0.179 0.000 2.318 559 E HA 0.030 4.380 4.350 -0.000 0.000 0.193 559 E C 0.492 177.031 176.600 -0.102 0.000 0.998 559 E CA 0.214 56.543 56.400 -0.118 0.000 0.859 559 E CB 0.242 29.894 29.700 -0.079 0.000 0.812 559 E HN 0.132 nan 8.360 nan 0.000 0.492 560 V N 3.558 123.415 119.914 -0.094 0.000 2.617 560 V HA -0.120 4.000 4.120 -0.000 0.000 0.304 560 V C 1.105 177.152 176.094 -0.078 0.000 1.040 560 V CA 0.536 62.792 62.300 -0.073 0.000 1.149 560 V CB -0.052 31.747 31.823 -0.039 0.000 0.914 560 V HN 0.246 nan 8.190 nan 0.000 0.487 561 R N 3.630 124.088 120.500 -0.069 0.000 4.306 561 R HA 0.445 4.785 4.340 -0.000 0.000 0.266 561 R C 0.685 176.952 176.300 -0.056 0.000 1.624 561 R CA 0.020 56.081 56.100 -0.065 0.000 1.487 561 R CB 0.047 30.311 30.300 -0.060 0.000 1.441 561 R HN 0.691 nan 8.270 nan 0.000 0.750 562 G N 0.452 109.219 108.800 -0.056 0.000 3.152 562 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.157 562 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.157 562 G C 0.431 175.298 174.900 -0.055 0.000 1.786 562 G CA -0.261 44.807 45.100 -0.054 0.000 1.055 562 G HN 0.315 nan 8.290 nan 0.000 0.528 563 S N -0.687 114.979 115.700 -0.058 0.000 2.564 563 S HA 0.611 5.081 4.470 -0.000 0.000 0.231 563 S C 0.536 175.099 174.600 -0.062 0.000 1.067 563 S CA 0.489 58.658 58.200 -0.052 0.000 0.908 563 S CB 0.673 63.845 63.200 -0.046 0.000 0.809 563 S HN 0.992 nan 8.310 nan 0.000 0.491 564 A N 0.673 123.451 122.820 -0.070 0.000 2.602 564 A HA 0.789 5.109 4.320 -0.000 0.000 0.290 564 A C -2.232 175.276 177.584 -0.126 0.000 1.114 564 A CA -0.561 51.401 52.037 -0.125 0.000 0.683 564 A CB 1.035 19.929 19.000 -0.177 0.000 1.281 564 A HN 0.184 nan 8.150 nan 0.000 0.416 565 L N 0.504 121.606 121.223 -0.202 0.000 2.356 565 L HA 0.776 5.116 4.340 -0.000 0.000 0.277 565 L C -1.838 174.941 176.870 -0.152 0.000 0.996 565 L CA -0.246 54.520 54.840 -0.123 0.000 0.822 565 L CB 1.233 43.203 42.059 -0.149 0.000 1.256 565 L HN 0.635 nan 8.230 nan 0.000 0.413 566 Y N 2.665 123.059 120.300 0.157 0.000 2.468 566 Y HA 0.655 5.204 4.550 -0.000 0.000 0.342 566 Y C -0.288 175.760 175.900 0.248 0.000 1.021 566 Y CA -0.625 57.577 58.100 0.170 0.000 1.079 566 Y CB 1.978 40.527 38.460 0.149 0.000 1.226 566 Y HN 0.598 nan 8.280 nan 0.000 0.460 567 E N 1.638 122.051 120.200 0.355 0.000 2.278 567 E HA 0.719 5.069 4.350 -0.000 0.000 0.272 567 E C -1.436 175.188 176.600 0.041 0.000 0.890 567 E CA -0.822 55.675 56.400 0.161 0.000 0.770 567 E CB 1.301 31.107 29.700 0.177 0.000 1.212 567 E HN 0.784 nan 8.360 nan 0.000 0.415 568 A N 2.278 125.038 122.820 -0.099 0.000 2.386 568 A HA 0.225 4.545 4.320 -0.000 0.000 0.246 568 A C 1.070 178.617 177.584 -0.061 0.000 1.089 568 A CA 0.386 52.351 52.037 -0.120 0.000 0.790 568 A CB 0.454 19.206 19.000 -0.413 0.000 1.042 568 A HN 0.811 nan 8.150 nan 0.000 0.497 569 S N -0.001 115.701 115.700 0.004 0.000 2.453 569 S HA -0.030 4.440 4.470 -0.000 0.000 0.231 569 S C 1.071 175.714 174.600 0.072 0.000 1.005 569 S CA 1.055 59.273 58.200 0.030 0.000 0.949 569 S CB -0.640 62.574 63.200 0.023 0.000 0.774 569 S HN 0.928 nan 8.310 nan 0.000 0.510 570 T N 2.788 117.416 114.554 0.123 0.000 2.901 570 T HA 0.325 4.675 4.350 -0.000 0.000 0.301 570 T C 0.852 175.595 174.700 0.072 0.000 1.012 570 T CA 0.607 62.827 62.100 0.199 0.000 1.135 570 T CB 0.675 69.729 68.868 0.310 0.000 0.936 570 T HN 0.481 nan 8.240 nan 0.000 0.539 571 T N 1.990 116.596 114.554 0.086 0.000 3.144 571 T HA 0.182 4.532 4.350 -0.000 0.000 0.290 571 T C 1.181 175.867 174.700 -0.024 0.000 0.966 571 T CA -0.369 61.720 62.100 -0.019 0.000 0.907 571 T CB -0.469 68.359 68.868 -0.067 0.000 1.152 571 T HN 0.620 nan 8.240 nan 0.000 0.532 572 Y N 1.980 122.282 120.300 0.003 0.000 2.207 572 Y HA 0.130 4.680 4.550 -0.000 0.000 0.287 572 Y C 1.137 177.030 175.900 -0.012 0.000 1.156 572 Y CA 0.494 58.596 58.100 0.004 0.000 1.182 572 Y CB -0.527 37.944 38.460 0.019 0.000 0.979 572 Y HN 0.217 nan 8.280 nan 0.000 0.521 573 L N -0.828 120.474 121.223 0.132 0.000 2.473 573 L HA -0.061 4.279 4.340 -0.000 0.000 0.265 573 L C 1.683 178.564 176.870 0.018 0.000 1.243 573 L CA 0.552 55.426 54.840 0.056 0.000 0.822 573 L CB -0.017 42.050 42.059 0.014 0.000 1.101 573 L HN -0.078 nan 8.230 nan 0.000 0.507 574 S N -1.000 114.706 115.700 0.011 0.000 2.351 574 S HA -0.122 4.348 4.470 -0.000 0.000 0.220 574 S C 0.929 175.523 174.600 -0.009 0.000 1.035 574 S CA 1.532 59.734 58.200 0.003 0.000 1.031 574 S CB -0.173 63.032 63.200 0.008 0.000 0.928 574 S HN 0.677 nan 8.310 nan 0.000 0.433 575 S N 0.212 115.902 115.700 -0.016 0.000 2.618 575 S HA 0.565 5.035 4.470 -0.000 0.000 0.284 575 S C 0.223 174.766 174.600 -0.096 0.000 1.102 575 S CA -0.812 57.370 58.200 -0.030 0.000 0.984 575 S CB 1.119 64.319 63.200 0.001 0.000 1.280 575 S HN 0.301 nan 8.310 nan 0.000 0.525 576 S N 0.507 116.098 115.700 -0.181 0.000 2.713 576 S HA 0.582 5.052 4.470 -0.000 0.000 0.283 576 S C -1.064 173.240 174.600 -0.493 0.000 1.161 576 S CA -0.512 57.439 58.200 -0.414 0.000 0.999 576 S CB 0.843 63.599 63.200 -0.741 0.000 1.039 576 S HN 0.403 nan 8.310 nan 0.000 0.548 577 L N 2.609 123.495 121.223 -0.563 0.000 2.313 577 L HA 0.542 4.882 4.340 -0.000 0.000 0.273 577 L C -1.675 174.949 176.870 -0.409 0.000 1.028 577 L CA -0.101 54.496 54.840 -0.405 0.000 0.871 577 L CB -0.541 41.285 42.059 -0.388 0.000 1.242 577 L HN 0.402 nan 8.230 nan 0.000 0.434 578 F N 4.473 124.420 119.950 -0.005 0.000 2.403 578 F HA 0.610 5.137 4.527 -0.000 0.000 0.326 578 F C -0.121 175.726 175.800 0.079 0.000 1.081 578 F CA -0.705 57.320 58.000 0.041 0.000 1.041 578 F CB 1.333 40.357 39.000 0.040 0.000 1.234 578 F HN 0.132 nan 8.300 nan 0.000 0.503 579 L N 1.730 123.185 121.223 0.386 0.000 2.471 579 L HA 0.342 4.682 4.340 -0.000 0.000 0.263 579 L C -0.790 176.304 176.870 0.374 0.000 0.985 579 L CA -0.140 54.911 54.840 0.352 0.000 0.868 579 L CB 1.472 43.730 42.059 0.331 0.000 1.203 579 L HN 0.459 nan 8.230 nan 0.000 0.429 580 S N 4.736 120.599 115.700 0.271 0.000 2.420 580 S HA 0.481 4.951 4.470 -0.000 0.000 0.313 580 S C -2.485 172.170 174.600 0.092 0.000 1.079 580 S CA -1.050 57.242 58.200 0.153 0.000 1.104 580 S CB 1.063 64.302 63.200 0.065 0.000 0.969 580 S HN 0.286 nan 8.310 nan 0.000 0.471 581 P HA 0.319 nan 4.420 nan 0.000 0.301 581 P C -0.985 176.178 177.300 -0.229 0.000 1.338 581 P CA -0.595 62.287 63.100 -0.363 0.000 0.834 581 P CB 1.314 32.680 31.700 -0.557 0.000 0.967 582 V N 6.420 126.204 119.914 -0.216 0.000 2.304 582 V HA 0.185 4.305 4.120 -0.000 0.000 0.262 582 V C 1.103 177.126 176.094 -0.118 0.000 1.061 582 V CA -0.668 61.561 62.300 -0.118 0.000 0.872 582 V CB 0.463 32.249 31.823 -0.062 0.000 1.077 582 V HN 0.564 nan 8.190 nan 0.000 0.480 583 I N 5.816 126.329 120.570 -0.095 0.000 2.648 583 I HA 0.118 4.288 4.170 -0.000 0.000 0.284 583 I C 1.005 177.107 176.117 -0.026 0.000 1.153 583 I CA -0.074 61.189 61.300 -0.061 0.000 1.426 583 I CB 0.509 38.488 38.000 -0.036 0.000 1.381 583 I HN 0.776 nan 8.210 nan 0.000 0.571 584 M N 6.019 125.616 119.600 -0.007 0.000 2.576 584 M HA -0.330 4.150 4.480 -0.000 0.000 0.200 584 M C 0.600 176.906 176.300 0.010 0.000 0.487 584 M CA 1.049 56.356 55.300 0.011 0.000 0.553 584 M CB -2.175 30.433 32.600 0.013 0.000 2.042 584 M HN 0.882 nan 8.290 nan 0.000 0.758 585 N N -0.739 117.963 118.700 0.004 0.000 2.644 585 N HA -0.261 4.479 4.740 -0.000 0.000 0.248 585 N C -0.360 175.157 175.510 0.012 0.000 1.150 585 N CA 1.511 54.568 53.050 0.013 0.000 0.727 585 N CB -0.638 37.869 38.487 0.033 0.000 1.091 585 N HN 0.813 nan 8.380 nan 0.000 0.556 586 K N -0.354 120.047 120.400 0.001 0.000 2.426 586 K HA 0.605 4.925 4.320 -0.000 0.000 0.254 586 K C -0.260 176.332 176.600 -0.012 0.000 0.936 586 K CA -0.985 55.302 56.287 -0.001 0.000 0.801 586 K CB 1.305 33.806 32.500 0.002 0.000 1.139 586 K HN 0.144 nan 8.250 nan 0.000 0.424 587 c N 0.750 119.341 118.600 -0.015 0.000 2.365 587 c HA 0.740 5.310 4.570 -0.000 0.000 0.349 587 c C 0.619 174.694 174.090 -0.026 0.000 1.191 587 c CA -0.833 55.481 56.329 -0.025 0.000 2.114 587 c CB 0.625 43.117 42.510 -0.031 0.000 2.367 587 c HN 0.911 nan 8.230 nan 0.000 0.530 588 S N 1.666 117.348 115.700 -0.031 0.000 2.652 588 S HA 0.442 4.912 4.470 -0.000 0.000 0.270 588 S C -0.395 174.184 174.600 -0.034 0.000 1.243 588 S CA -0.605 57.577 58.200 -0.029 0.000 0.999 588 S CB 0.537 63.719 63.200 -0.031 0.000 0.973 588 S HN 0.930 nan 8.310 nan 0.000 0.544 589 Q N 0.682 120.463 119.800 -0.031 0.000 2.286 589 Q HA 0.507 4.846 4.340 -0.000 0.000 0.267 589 Q C 0.521 176.498 176.000 -0.038 0.000 1.028 589 Q CA -0.306 55.477 55.803 -0.033 0.000 0.901 589 Q CB -0.134 28.587 28.738 -0.028 0.000 1.183 589 Q HN 1.449 nan 8.270 nan 0.000 0.392 590 G N 1.097 109.871 108.800 -0.044 0.000 2.705 590 G HA2 0.082 4.042 3.960 -0.000 0.000 0.686 590 G HA3 0.082 4.042 3.960 -0.000 0.000 0.686 590 G C -0.457 174.408 174.900 -0.058 0.000 1.285 590 G CA -0.545 44.526 45.100 -0.049 0.000 0.800 590 G HN 1.061 nan 8.290 nan 0.000 0.611 591 A N 0.755 123.534 122.820 -0.069 0.000 2.280 591 A HA 0.830 5.150 4.320 -0.000 0.000 0.268 591 A C 1.211 178.744 177.584 -0.085 0.000 1.111 591 A CA 0.327 52.313 52.037 -0.086 0.000 0.814 591 A CB 0.354 19.290 19.000 -0.108 0.000 1.093 591 A HN 2.086 nan 8.150 nan 0.000 0.498 592 V N 0.030 119.884 119.914 -0.101 0.000 3.287 592 V HA 0.353 4.473 4.120 -0.000 0.000 0.306 592 V C 1.337 177.379 176.094 -0.086 0.000 1.103 592 V CA -0.008 62.235 62.300 -0.095 0.000 1.159 592 V CB -0.021 31.734 31.823 -0.114 0.000 1.036 592 V HN 1.173 nan 8.190 nan 0.000 0.487 593 A N 1.990 124.767 122.820 -0.072 0.000 2.325 593 A HA 0.546 4.866 4.320 -0.000 0.000 0.260 593 A C 1.015 178.563 177.584 -0.061 0.000 1.133 593 A CA 0.261 52.263 52.037 -0.058 0.000 0.801 593 A CB -0.582 18.390 19.000 -0.046 0.000 1.092 593 A HN 1.330 nan 8.150 nan 0.000 0.504 594 G N -1.716 107.057 108.800 -0.045 0.000 2.664 594 G HA2 0.425 4.385 3.960 -0.000 0.000 0.242 594 G HA3 0.425 4.385 3.960 -0.000 0.000 0.242 594 G C -0.057 174.825 174.900 -0.030 0.000 1.225 594 G CA 0.855 45.933 45.100 -0.037 0.000 0.849 594 G HN 1.354 nan 8.290 nan 0.000 0.581 595 E N -0.549 119.642 120.200 -0.015 0.000 6.993 595 E HA -0.126 4.223 4.350 -0.000 0.000 0.276 595 E C -2.328 174.269 176.600 -0.006 0.000 1.113 595 E CA 0.143 56.545 56.400 0.002 0.000 1.400 595 E CB -0.680 29.020 29.700 0.000 0.000 0.936 595 E HN 0.399 nan 8.360 nan 0.000 0.285 596 P HA 0.189 nan 4.420 nan 0.000 0.274 596 P C -0.536 176.767 177.300 0.005 0.000 1.237 596 P CA -0.403 62.710 63.100 0.022 0.000 0.793 596 P CB 0.561 32.355 31.700 0.156 0.000 0.977 597 R N 1.724 122.180 120.500 -0.074 0.000 2.340 597 R HA 0.131 4.471 4.340 -0.000 0.000 0.300 597 R C -0.048 176.305 176.300 0.088 0.000 1.069 597 R CA -0.185 55.867 56.100 -0.079 0.000 0.984 597 R CB 0.338 30.445 30.300 -0.321 0.000 1.003 597 R HN 0.503 nan 8.270 nan 0.000 0.459 598 Q N 3.867 123.743 119.800 0.127 0.000 2.293 598 Q HA 0.204 4.544 4.340 -0.000 0.000 0.251 598 Q C -0.178 175.965 176.000 0.237 0.000 0.930 598 Q CA -0.317 55.586 55.803 0.167 0.000 0.893 598 Q CB 1.474 30.269 28.738 0.095 0.000 1.215 598 Q HN 0.537 nan 8.270 nan 0.000 0.425 599 I N 5.049 125.740 120.570 0.200 0.000 2.494 599 I HA 0.070 4.240 4.170 -0.000 0.000 0.289 599 I C -1.669 174.483 176.117 0.058 0.000 1.106 599 I CA -1.576 59.788 61.300 0.106 0.000 1.369 599 I CB -0.044 37.969 38.000 0.022 0.000 1.410 599 I HN 0.343 nan 8.210 nan 0.000 0.523 600 P HA 0.143 nan 4.420 nan 0.000 0.275 600 P C -1.052 176.244 177.300 -0.006 0.000 1.227 600 P CA -0.414 62.702 63.100 0.028 0.000 0.781 600 P CB 0.772 32.495 31.700 0.038 0.000 0.906 601 K N 2.940 123.327 120.400 -0.020 0.000 2.172 601 K HA 0.564 4.884 4.320 -0.000 0.000 0.276 601 K C 0.011 176.567 176.600 -0.073 0.000 1.013 601 K CA -0.617 55.646 56.287 -0.041 0.000 0.913 601 K CB 1.122 33.599 32.500 -0.039 0.000 1.055 601 K HN 0.460 nan 8.250 nan 0.000 0.461 602 I N 2.008 122.518 120.570 -0.101 0.000 2.608 602 I HA 0.150 4.320 4.170 -0.000 0.000 0.295 602 I C 0.312 176.296 176.117 -0.221 0.000 1.049 602 I CA -0.479 60.717 61.300 -0.173 0.000 1.063 602 I CB 2.127 40.000 38.000 -0.212 0.000 1.248 602 I HN 0.616 nan 8.210 nan 0.000 0.424 603 Q N 2.569 122.222 119.800 -0.246 0.000 2.103 603 Q HA 0.200 4.540 4.340 -0.000 0.000 0.219 603 Q C 0.963 176.824 176.000 -0.232 0.000 0.784 603 Q CA -0.239 55.415 55.803 -0.249 0.000 1.014 603 Q CB 0.770 29.386 28.738 -0.203 0.000 1.183 603 Q HN 0.584 nan 8.270 nan 0.000 0.469 604 N N 0.958 119.464 118.700 -0.324 0.000 2.022 604 N HA -0.079 4.661 4.740 -0.000 0.000 0.194 604 N C 0.220 175.622 175.510 -0.181 0.000 1.057 604 N CA 1.047 53.911 53.050 -0.310 0.000 0.849 604 N CB -0.186 38.021 38.487 -0.466 0.000 1.044 604 N HN 0.072 nan 8.380 nan 0.000 0.424 605 F N 1.503 121.463 119.950 0.017 0.000 2.637 605 F HA -0.064 4.463 4.527 -0.000 0.000 0.372 605 F C 1.445 177.248 175.800 0.005 0.000 1.107 605 F CA -0.191 57.839 58.000 0.050 0.000 1.325 605 F CB -0.619 38.492 39.000 0.184 0.000 1.016 605 F HN -0.027 nan 8.300 nan 0.000 0.593 606 T N 1.008 115.686 114.554 0.206 0.000 2.929 606 T HA 0.484 4.834 4.350 -0.000 0.000 0.284 606 T C 1.173 175.929 174.700 0.093 0.000 1.014 606 T CA -1.068 61.092 62.100 0.099 0.000 1.051 606 T CB 1.750 70.654 68.868 0.060 0.000 1.028 606 T HN 0.541 nan 8.240 nan 0.000 0.485 607 R N 0.877 121.417 120.500 0.067 0.000 2.109 607 R HA -0.030 4.310 4.340 -0.000 0.000 0.227 607 R C 0.735 177.062 176.300 0.045 0.000 1.132 607 R CA 1.225 57.365 56.100 0.066 0.000 0.907 607 R CB -1.382 28.956 30.300 0.063 0.000 0.825 607 R HN 0.671 nan 8.270 nan 0.000 0.432 608 T N 2.712 117.282 114.554 0.027 0.000 2.871 608 T HA 0.022 4.372 4.350 -0.000 0.000 0.296 608 T C 0.122 174.812 174.700 -0.017 0.000 0.998 608 T CA 0.380 62.483 62.100 0.005 0.000 1.162 608 T CB 0.627 69.496 68.868 0.003 0.000 0.947 608 T HN 0.092 nan 8.240 nan 0.000 0.536 609 Q N 2.044 121.818 119.800 -0.044 0.000 2.304 609 Q HA 0.312 4.652 4.340 -0.000 0.000 0.270 609 Q C 0.666 176.613 176.000 -0.089 0.000 1.035 609 Q CA -0.658 55.092 55.803 -0.088 0.000 0.781 609 Q CB 2.499 31.141 28.738 -0.160 0.000 1.261 609 Q HN 0.661 nan 8.270 nan 0.000 0.444 610 K N 1.145 121.493 120.400 -0.085 0.000 1.967 610 K HA -0.013 4.307 4.320 -0.000 0.000 0.212 610 K C 0.822 177.364 176.600 -0.097 0.000 1.044 610 K CA 1.243 57.484 56.287 -0.075 0.000 0.942 610 K CB 0.110 32.574 32.500 -0.061 0.000 0.726 610 K HN 0.696 nan 8.250 nan 0.000 0.440 611 S N -0.575 115.055 115.700 -0.118 0.000 2.694 611 S HA 0.109 4.579 4.470 -0.000 0.000 0.278 611 S C 0.077 174.561 174.600 -0.193 0.000 1.152 611 S CA -0.986 57.133 58.200 -0.135 0.000 1.010 611 S CB 1.334 64.461 63.200 -0.122 0.000 1.104 611 S HN 0.389 nan 8.310 nan 0.000 0.547 612 C N 2.018 121.198 119.300 -0.200 0.000 2.262 612 C HA 0.442 4.902 4.460 -0.000 0.000 0.413 612 C C 1.623 176.404 174.990 -0.347 0.000 1.019 612 C CA -0.868 57.997 59.018 -0.254 0.000 1.320 612 C CB -2.904 24.711 27.740 -0.209 0.000 1.657 612 C HN 0.757 nan 8.230 nan 0.000 0.510 613 I N 2.751 123.024 120.570 -0.495 0.000 2.072 613 I HA -0.070 4.100 4.170 -0.000 0.000 0.235 613 I C 0.762 176.509 176.117 -0.616 0.000 1.058 613 I CA 1.513 62.440 61.300 -0.622 0.000 1.320 613 I CB -0.458 36.917 38.000 -1.040 0.000 1.047 613 I HN 0.417 nan 8.210 nan 0.000 0.397 614 F N 0.848 120.619 119.950 -0.299 0.000 2.659 614 F HA 0.165 4.692 4.527 -0.000 0.000 0.360 614 F C 1.155 176.702 175.800 -0.421 0.000 1.218 614 F CA -0.717 57.105 58.000 -0.297 0.000 1.317 614 F CB -1.077 37.946 39.000 0.037 0.000 1.697 614 F HN 0.111 nan 8.300 nan 0.000 0.637 615 C N 0.721 119.685 119.300 -0.561 0.000 3.529 615 C HA 0.178 4.638 4.460 -0.000 0.000 0.288 615 C C 2.829 177.617 174.990 -0.337 0.000 1.353 615 C CA 1.228 60.012 59.018 -0.390 0.000 1.705 615 C CB -0.792 26.742 27.740 -0.344 0.000 2.156 615 C HN 0.826 nan 8.230 nan 0.000 0.555 616 G N 0.155 108.772 108.800 -0.305 0.000 3.094 616 G HA2 0.129 4.089 3.960 -0.000 0.000 0.208 616 G HA3 0.129 4.089 3.960 -0.000 0.000 0.208 616 G C 0.298 175.472 174.900 0.457 0.000 1.189 616 G CA 0.237 45.377 45.100 0.067 0.000 0.856 616 G HN 0.297 nan 8.290 nan 0.000 0.510 617 F N 0.198 120.264 119.950 0.193 0.000 2.403 617 F HA 0.800 5.327 4.527 -0.000 0.000 0.326 617 F C 0.515 176.482 175.800 0.278 0.000 1.099 617 F CA -2.309 55.833 58.000 0.237 0.000 1.036 617 F CB 1.017 40.127 39.000 0.183 0.000 1.336 617 F HN 0.061 nan 8.300 nan 0.000 0.497 618 A N 0.500 123.572 122.820 0.421 0.000 2.515 618 A HA 0.757 5.077 4.320 -0.000 0.000 0.298 618 A C -1.604 176.069 177.584 0.148 0.000 1.059 618 A CA -0.635 51.588 52.037 0.310 0.000 0.698 618 A CB 1.395 20.572 19.000 0.295 0.000 1.289 618 A HN 0.645 nan 8.150 nan 0.000 0.404 619 L N 1.289 122.603 121.223 0.152 0.000 2.325 619 L HA 0.676 5.016 4.340 -0.000 0.000 0.278 619 L C -1.157 175.804 176.870 0.152 0.000 1.023 619 L CA -0.887 54.044 54.840 0.152 0.000 0.811 619 L CB 1.777 43.961 42.059 0.209 0.000 1.249 619 L HN 0.628 nan 8.230 nan 0.000 0.431 620 L N 3.020 124.323 121.223 0.133 0.000 2.446 620 L HA 0.406 4.746 4.340 -0.000 0.000 0.268 620 L C -0.312 176.619 176.870 0.101 0.000 0.975 620 L CA -0.059 54.844 54.840 0.105 0.000 0.848 620 L CB 1.828 43.920 42.059 0.054 0.000 1.225 620 L HN 0.610 nan 8.230 nan 0.000 0.410 621 S N 3.622 119.331 115.700 0.015 0.000 2.489 621 S HA 0.796 5.266 4.470 -0.000 0.000 0.291 621 S C -0.754 173.771 174.600 -0.124 0.000 1.151 621 S CA -0.521 57.544 58.200 -0.226 0.000 1.082 621 S CB 1.202 64.096 63.200 -0.511 0.000 1.019 621 S HN 0.549 nan 8.310 nan 0.000 0.492 622 Y N -0.631 119.553 120.300 -0.194 0.000 2.512 622 Y HA 0.743 5.293 4.550 -0.000 0.000 0.348 622 Y C -0.864 174.943 175.900 -0.154 0.000 0.990 622 Y CA -1.381 56.642 58.100 -0.128 0.000 1.033 622 Y CB 0.814 39.244 38.460 -0.051 0.000 1.259 622 Y HN 0.628 nan 8.280 nan 0.000 0.461 623 D N 1.931 122.326 120.400 -0.010 0.000 2.210 623 D HA 0.170 4.810 4.640 -0.000 0.000 0.249 623 D C 0.766 177.095 176.300 0.048 0.000 1.062 623 D CA -0.186 53.748 54.000 -0.110 0.000 0.891 623 D CB 1.458 42.175 40.800 -0.138 0.000 1.186 623 D HN 0.822 nan 8.370 nan 0.000 0.432 624 E N 1.798 121.971 120.200 -0.044 0.000 2.058 624 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 624 E C 1.261 177.785 176.600 -0.128 0.000 0.997 624 E CA 1.357 57.772 56.400 0.027 0.000 0.801 624 E CB 0.281 29.931 29.700 -0.083 0.000 0.746 624 E HN 0.429 nan 8.360 nan 0.000 0.450 625 K N 0.191 120.391 120.400 -0.332 0.000 2.005 625 K HA -0.035 4.285 4.320 -0.000 0.000 0.206 625 K C 1.011 177.560 176.600 -0.085 0.000 1.044 625 K CA 0.719 56.835 56.287 -0.285 0.000 0.942 625 K CB 0.015 32.277 32.500 -0.396 0.000 0.727 625 K HN -0.046 nan 8.250 nan 0.000 0.439 626 E N -0.382 119.759 120.200 -0.097 0.000 2.622 626 E HA 0.158 4.508 4.350 -0.000 0.000 0.255 626 E C 0.630 177.229 176.600 -0.001 0.000 1.313 626 E CA -0.012 56.361 56.400 -0.046 0.000 1.011 626 E CB 0.331 29.991 29.700 -0.068 0.000 1.173 626 E HN 0.241 nan 8.360 nan 0.000 0.601 627 G N -0.313 108.488 108.800 0.002 0.000 2.711 627 G HA2 0.158 4.118 3.960 -0.000 0.000 0.186 627 G HA3 0.158 4.118 3.960 -0.000 0.000 0.186 627 G C -0.457 174.467 174.900 0.040 0.000 1.635 627 G CA -0.502 44.608 45.100 0.018 0.000 1.065 627 G HN 0.310 nan 8.290 nan 0.000 0.545 628 L N 0.754 121.997 121.223 0.034 0.000 2.305 628 L HA 0.268 4.608 4.340 -0.000 0.000 0.281 628 L C 1.188 178.063 176.870 0.008 0.000 1.085 628 L CA -0.667 54.203 54.840 0.050 0.000 0.813 628 L CB 1.396 43.480 42.059 0.042 0.000 1.157 628 L HN 0.484 nan 8.230 nan 0.000 0.436 629 E N 1.842 122.033 120.200 -0.015 0.000 2.025 629 E HA 0.048 4.398 4.350 -0.000 0.000 0.198 629 E C 0.533 177.105 176.600 -0.046 0.000 0.955 629 E CA 0.918 57.279 56.400 -0.064 0.000 0.862 629 E CB 0.124 29.742 29.700 -0.136 0.000 0.837 629 E HN 0.722 nan 8.360 nan 0.000 0.488 630 T N -1.645 112.885 114.554 -0.041 0.000 2.907 630 T HA 0.526 4.875 4.350 -0.000 0.000 0.292 630 T C -0.314 174.430 174.700 0.074 0.000 1.043 630 T CA -0.762 61.348 62.100 0.017 0.000 1.003 630 T CB 2.270 71.163 68.868 0.042 0.000 1.084 630 T HN 0.031 nan 8.240 nan 0.000 0.483 631 T N 1.098 115.707 114.554 0.091 0.000 2.887 631 T HA 0.706 5.055 4.350 -0.000 0.000 0.288 631 T C -1.108 173.680 174.700 0.145 0.000 1.021 631 T CA -0.325 61.843 62.100 0.113 0.000 1.000 631 T CB 1.468 70.375 68.868 0.066 0.000 1.034 631 T HN 0.892 nan 8.240 nan 0.000 0.467 632 T N 3.672 118.332 114.554 0.176 0.000 2.916 632 T HA 0.400 4.750 4.350 -0.000 0.000 0.298 632 T C -1.791 173.081 174.700 0.287 0.000 1.031 632 T CA -0.472 61.750 62.100 0.203 0.000 0.993 632 T CB 1.097 69.993 68.868 0.047 0.000 1.045 632 T HN 0.605 nan 8.240 nan 0.000 0.454 633 Y N 3.437 123.880 120.300 0.239 0.000 2.402 633 Y HA 0.533 5.083 4.550 -0.000 0.000 0.332 633 Y C -0.141 175.881 175.900 0.203 0.000 0.960 633 Y CA -1.194 57.042 58.100 0.226 0.000 1.228 633 Y CB 0.403 39.004 38.460 0.236 0.000 1.120 633 Y HN 0.595 nan 8.280 nan 0.000 0.491 634 I N 7.398 127.862 120.570 -0.178 0.000 2.455 634 I HA -0.057 4.113 4.170 -0.000 0.000 0.303 634 I C 1.443 177.262 176.117 -0.497 0.000 1.180 634 I CA 0.261 61.395 61.300 -0.277 0.000 1.469 634 I CB 0.160 38.080 38.000 -0.134 0.000 1.480 634 I HN 0.794 nan 8.210 nan 0.000 0.669 635 T N 1.656 115.928 114.554 -0.471 0.000 2.622 635 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 635 T C 0.932 175.470 174.700 -0.270 0.000 1.047 635 T CA 1.291 63.160 62.100 -0.384 0.000 1.159 635 T CB -0.129 68.615 68.868 -0.205 0.000 0.863 635 T HN 0.617 nan 8.240 nan 0.000 0.422 636 S N -0.636 114.926 115.700 -0.230 0.000 2.806 636 S HA 0.538 5.008 4.470 -0.000 0.000 0.306 636 S C 0.744 175.244 174.600 -0.166 0.000 1.167 636 S CA -0.450 57.648 58.200 -0.171 0.000 0.847 636 S CB 1.854 64.981 63.200 -0.122 0.000 1.216 636 S HN 0.223 nan 8.310 nan 0.000 0.532 637 Q N 1.483 121.201 119.800 -0.137 0.000 2.029 637 Q HA -0.241 4.099 4.340 -0.000 0.000 0.209 637 Q C 1.930 177.859 176.000 -0.117 0.000 0.999 637 Q CA 2.953 58.680 55.803 -0.126 0.000 0.857 637 Q CB -0.889 27.786 28.738 -0.105 0.000 0.926 637 Q HN 0.907 nan 8.270 nan 0.000 0.415 638 E N -1.070 119.064 120.200 -0.109 0.000 2.114 638 E HA -0.236 4.114 4.350 -0.000 0.000 0.199 638 E C 1.826 178.351 176.600 -0.124 0.000 1.008 638 E CA 1.926 58.263 56.400 -0.104 0.000 0.810 638 E CB -0.591 29.050 29.700 -0.099 0.000 0.739 638 E HN 0.290 nan 8.360 nan 0.000 0.456 639 V N 1.379 121.194 119.914 -0.164 0.000 2.307 639 V HA -0.299 3.821 4.120 -0.000 0.000 0.245 639 V C 2.759 178.763 176.094 -0.150 0.000 1.045 639 V CA 2.214 64.394 62.300 -0.200 0.000 1.024 639 V CB -0.942 30.703 31.823 -0.298 0.000 0.651 639 V HN 0.338 nan 8.190 nan 0.000 0.449 640 Q N 0.313 120.039 119.800 -0.123 0.000 2.135 640 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 640 Q C 2.134 178.115 176.000 -0.031 0.000 0.981 640 Q CA 1.993 57.760 55.803 -0.060 0.000 0.856 640 Q CB -0.137 28.558 28.738 -0.073 0.000 0.902 640 Q HN 0.693 nan 8.270 nan 0.000 0.425 641 N N 0.258 118.925 118.700 -0.056 0.000 2.142 641 N HA -0.106 4.634 4.740 -0.000 0.000 0.186 641 N C 1.647 177.144 175.510 -0.023 0.000 1.023 641 N CA 1.507 54.537 53.050 -0.034 0.000 0.852 641 N CB -0.194 38.264 38.487 -0.048 0.000 0.998 641 N HN 0.305 nan 8.380 nan 0.000 0.424 642 S N -0.014 115.655 115.700 -0.052 0.000 2.803 642 S HA 0.144 4.614 4.470 -0.000 0.000 0.226 642 S C 1.510 176.085 174.600 -0.042 0.000 0.962 642 S CA 0.195 58.366 58.200 -0.048 0.000 0.968 642 S CB -0.388 62.765 63.200 -0.078 0.000 0.786 642 S HN 0.258 nan 8.310 nan 0.000 0.527 643 I N -0.866 119.688 120.570 -0.026 0.000 4.228 643 I HA 0.184 4.354 4.170 -0.000 0.000 0.298 643 I C 1.603 177.812 176.117 0.153 0.000 1.206 643 I CA 0.131 61.411 61.300 -0.033 0.000 1.322 643 I CB 0.080 37.973 38.000 -0.178 0.000 1.411 643 I HN 0.202 nan 8.210 nan 0.000 0.454 644 L N 0.860 122.191 121.223 0.181 0.000 2.313 644 L HA -0.025 4.315 4.340 -0.000 0.000 0.214 644 L C 2.574 179.535 176.870 0.152 0.000 1.119 644 L CA 1.172 56.156 54.840 0.240 0.000 0.809 644 L CB -0.458 41.707 42.059 0.177 0.000 0.933 644 L HN 0.313 nan 8.230 nan 0.000 0.449 645 S N -0.905 114.851 115.700 0.094 0.000 2.387 645 S HA -0.012 4.458 4.470 -0.000 0.000 0.221 645 S C 1.361 175.999 174.600 0.063 0.000 1.041 645 S CA 0.221 58.457 58.200 0.060 0.000 0.959 645 S CB -0.463 62.754 63.200 0.029 0.000 0.843 645 S HN 0.427 nan 8.310 nan 0.000 0.488 646 S N 2.333 118.073 115.700 0.066 0.000 2.617 646 S HA 0.259 4.729 4.470 -0.000 0.000 0.255 646 S C 0.284 174.931 174.600 0.078 0.000 1.318 646 S CA -0.612 57.625 58.200 0.062 0.000 0.978 646 S CB -0.198 63.038 63.200 0.060 0.000 0.961 646 S HN 0.419 nan 8.310 nan 0.000 0.582 647 N N 0.364 119.093 118.700 0.048 0.000 2.597 647 N HA 0.092 4.832 4.740 -0.000 0.000 0.269 647 N C 0.205 175.701 175.510 -0.024 0.000 1.204 647 N CA -0.009 53.046 53.050 0.008 0.000 0.947 647 N CB -0.381 38.093 38.487 -0.021 0.000 1.258 647 N HN 0.703 nan 8.380 nan 0.000 0.508 648 Y N 0.535 120.756 120.300 -0.133 0.000 2.256 648 Y HA -0.059 4.491 4.550 -0.000 0.000 0.288 648 Y C -0.016 175.589 175.900 -0.491 0.000 1.155 648 Y CA 1.158 59.091 58.100 -0.278 0.000 1.203 648 Y CB -0.007 38.235 38.460 -0.364 0.000 0.980 648 Y HN -0.090 nan 8.280 nan 0.000 0.530 649 F N 0.427 120.141 119.950 -0.394 0.000 2.399 649 F HA 0.350 4.877 4.527 -0.000 0.000 0.328 649 F C -0.077 175.234 175.800 -0.815 0.000 1.084 649 F CA -0.735 56.676 58.000 -0.983 0.000 1.053 649 F CB 1.120 39.455 39.000 -1.109 0.000 1.209 649 F HN -0.179 nan 8.300 nan 0.000 0.502 650 D N 1.552 121.553 120.400 -0.664 0.000 2.934 650 D HA 0.150 4.790 4.640 -0.000 0.000 0.249 650 D C -0.036 176.168 176.300 -0.160 0.000 1.293 650 D CA -0.230 53.572 54.000 -0.331 0.000 0.812 650 D CB -0.316 40.420 40.800 -0.106 0.000 1.439 650 D HN 0.174 nan 8.370 nan 0.000 0.555 651 F N 0.106 120.100 119.950 0.073 0.000 2.451 651 F HA 0.070 4.597 4.527 -0.000 0.000 0.299 651 F C 1.676 177.499 175.800 0.038 0.000 1.101 651 F CA 0.325 58.373 58.000 0.080 0.000 1.436 651 F CB -0.151 38.865 39.000 0.026 0.000 1.074 651 F HN 0.199 nan 8.300 nan 0.000 0.553 652 D N 0.700 121.171 120.400 0.118 0.000 2.663 652 D HA -0.024 4.616 4.640 -0.000 0.000 0.243 652 D C 0.052 176.356 176.300 0.006 0.000 1.218 652 D CA 0.372 54.406 54.000 0.057 0.000 0.846 652 D CB -0.499 40.318 40.800 0.028 0.000 1.014 652 D HN 0.168 nan 8.370 nan 0.000 0.476 653 N N 1.454 120.157 118.700 0.006 0.000 2.594 653 N HA 0.007 4.747 4.740 -0.000 0.000 0.280 653 N C 0.835 176.273 175.510 -0.120 0.000 1.156 653 N CA -0.435 52.577 53.050 -0.064 0.000 0.831 653 N CB 1.026 39.480 38.487 -0.055 0.000 1.379 653 N HN -0.140 nan 8.380 nan 0.000 0.536 654 L N 2.361 123.470 121.223 -0.190 0.000 2.191 654 L HA -0.112 4.228 4.340 -0.000 0.000 0.212 654 L C 1.725 178.389 176.870 -0.343 0.000 1.103 654 L CA 1.299 56.005 54.840 -0.222 0.000 0.769 654 L CB -0.873 41.053 42.059 -0.221 0.000 0.908 654 L HN 0.597 nan 8.230 nan 0.000 0.438 655 H N -0.839 118.071 119.070 -0.267 0.000 2.389 655 H HA 0.077 4.633 4.556 -0.000 0.000 0.299 655 H C 0.567 175.588 175.328 -0.511 0.000 1.081 655 H CA 0.332 56.176 56.048 -0.340 0.000 1.345 655 H CB -0.011 29.597 29.762 -0.257 0.000 1.393 655 H HN 0.042 nan 8.280 nan 0.000 0.520 656 V N 2.414 122.090 119.914 -0.396 0.000 2.481 656 V HA 0.178 4.298 4.120 -0.000 0.000 0.286 656 V C 0.129 175.765 176.094 -0.764 0.000 1.042 656 V CA -0.580 61.376 62.300 -0.572 0.000 0.928 656 V CB 1.896 33.450 31.823 -0.448 0.000 0.986 656 V HN 0.337 nan 8.190 nan 0.000 0.462 657 H N 2.686 121.314 119.070 -0.736 0.000 2.747 657 H HA 0.550 5.106 4.556 -0.000 0.000 0.371 657 H C -1.558 173.343 175.328 -0.713 0.000 1.161 657 H CA -0.602 55.080 56.048 -0.610 0.000 1.167 657 H CB 1.929 31.200 29.762 -0.818 0.000 1.732 657 H HN 0.570 nan 8.280 nan 0.000 0.544 658 Y N 1.339 121.690 120.300 0.085 0.000 2.326 658 Y HA 0.280 4.830 4.550 -0.000 0.000 0.331 658 Y C -0.455 175.540 175.900 0.157 0.000 0.962 658 Y CA -0.734 57.456 58.100 0.149 0.000 1.167 658 Y CB 1.253 39.944 38.460 0.385 0.000 1.148 658 Y HN 0.249 nan 8.280 nan 0.000 0.463 659 L N 3.908 125.268 121.223 0.228 0.000 2.334 659 L HA 0.574 4.914 4.340 -0.000 0.000 0.272 659 L C -1.046 175.863 176.870 0.066 0.000 1.020 659 L CA -0.869 54.046 54.840 0.124 0.000 0.812 659 L CB 1.637 43.746 42.059 0.083 0.000 1.264 659 L HN 0.522 nan 8.230 nan 0.000 0.439 660 L N 3.097 124.294 121.223 -0.043 0.000 2.372 660 L HA 0.549 4.889 4.340 -0.000 0.000 0.274 660 L C -1.364 175.362 176.870 -0.241 0.000 0.988 660 L CA -0.153 54.622 54.840 -0.108 0.000 0.833 660 L CB 1.181 43.160 42.059 -0.133 0.000 1.236 660 L HN 0.358 nan 8.230 nan 0.000 0.410 661 L N 4.802 125.838 121.223 -0.312 0.000 2.272 661 L HA 0.578 4.918 4.340 -0.000 0.000 0.289 661 L C 0.670 177.372 176.870 -0.280 0.000 1.032 661 L CA -0.515 53.981 54.840 -0.573 0.000 0.810 661 L CB 1.389 42.735 42.059 -1.188 0.000 1.205 661 L HN 0.713 nan 8.230 nan 0.000 0.422 662 T N -2.500 111.878 114.554 -0.295 0.000 2.884 662 T HA 0.183 4.533 4.350 -0.000 0.000 0.277 662 T C 1.337 176.057 174.700 0.033 0.000 0.976 662 T CA 0.005 61.681 62.100 -0.707 0.000 0.956 662 T CB 1.310 69.561 68.868 -1.030 0.000 1.113 662 T HN 0.689 nan 8.240 nan 0.000 0.554 663 T N -0.874 113.785 114.554 0.177 0.000 2.929 663 T HA -0.027 4.323 4.350 -0.000 0.000 0.271 663 T C 0.687 175.503 174.700 0.193 0.000 1.085 663 T CA 0.368 62.668 62.100 0.334 0.000 1.125 663 T CB -0.671 68.447 68.868 0.416 0.000 0.874 663 T HN 0.602 nan 8.240 nan 0.000 0.494 664 N N 1.342 120.121 118.700 0.132 0.000 2.495 664 N HA 0.409 5.149 4.740 -0.000 0.000 0.280 664 N C 0.950 176.546 175.510 0.143 0.000 1.168 664 N CA -0.239 52.876 53.050 0.108 0.000 0.978 664 N CB 0.914 39.458 38.487 0.096 0.000 1.191 664 N HN 0.294 nan 8.380 nan 0.000 0.497 665 G N -0.199 108.655 108.800 0.091 0.000 3.229 665 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.214 665 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.214 665 G C 0.433 175.551 174.900 0.363 0.000 1.256 665 G CA 0.192 45.357 45.100 0.108 0.000 1.042 665 G HN 0.640 nan 8.290 nan 0.000 0.497 666 T N -2.546 112.202 114.554 0.322 0.000 2.907 666 T HA 0.662 5.012 4.350 -0.000 0.000 0.284 666 T C -0.532 174.201 174.700 0.056 0.000 1.004 666 T CA -0.786 61.478 62.100 0.274 0.000 1.063 666 T CB 2.587 71.544 68.868 0.149 0.000 0.992 666 T HN -0.042 nan 8.240 nan 0.000 0.483 667 V N 3.906 123.633 119.914 -0.312 0.000 2.876 667 V HA 0.755 4.875 4.120 -0.000 0.000 0.312 667 V C -0.214 175.662 176.094 -0.363 0.000 1.085 667 V CA -1.043 60.942 62.300 -0.525 0.000 0.945 667 V CB 1.775 33.017 31.823 -0.969 0.000 1.017 667 V HN 1.163 nan 8.190 nan 0.000 0.428 668 M N 1.245 120.719 119.600 -0.209 0.000 2.465 668 M HA 0.693 5.173 4.480 -0.000 0.000 0.284 668 M C -1.080 175.202 176.300 -0.030 0.000 1.212 668 M CA -0.618 54.629 55.300 -0.088 0.000 0.910 668 M CB 2.489 35.079 32.600 -0.017 0.000 1.725 668 M HN 0.620 nan 8.290 nan 0.000 0.477 669 E N 1.906 122.106 120.200 0.001 0.000 2.277 669 E HA 0.711 5.061 4.350 -0.000 0.000 0.274 669 E C -1.621 175.011 176.600 0.054 0.000 1.022 669 E CA -0.674 55.758 56.400 0.054 0.000 0.853 669 E CB 1.585 31.303 29.700 0.030 0.000 1.086 669 E HN 0.701 nan 8.360 nan 0.000 0.397 670 I N 1.896 122.542 120.570 0.128 0.000 2.603 670 I HA 0.546 4.716 4.170 -0.000 0.000 0.300 670 I C -0.348 175.690 176.117 -0.130 0.000 1.017 670 I CA -0.701 60.610 61.300 0.019 0.000 1.098 670 I CB 2.006 40.053 38.000 0.079 0.000 1.279 670 I HN 0.633 nan 8.210 nan 0.000 0.437 671 A N 3.989 126.456 122.820 -0.588 0.000 3.318 671 A HA 0.657 4.977 4.320 -0.000 0.000 0.209 671 A C -0.328 176.577 177.584 -1.132 0.000 1.102 671 A CA -0.038 51.330 52.037 -1.115 0.000 1.128 671 A CB -0.020 18.751 19.000 -0.381 0.000 1.310 671 A HN 0.926 nan 8.150 nan 0.000 0.726 672 G N 0.000 108.026 108.800 -1.290 0.000 5.446 672 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 672 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 672 G CA 0.000 44.753 45.100 -0.578 0.000 0.502 672 G HN 0.000 nan 8.290 nan 0.000 0.925