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_A 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 0.000 176.573 176.870 -0.495 0.000 1.165 20 L CA 0.000 54.847 54.840 0.011 0.000 0.813 20 L CB 0.000 42.064 42.059 0.008 0.000 0.961 21 S N 0.327 115.269 115.700 -1.263 0.000 4.148 21 S HA -0.214 4.256 4.470 -0.000 0.000 0.515 21 S C 0.133 174.087 174.600 -1.078 0.000 1.828 21 S CA 1.756 59.264 58.200 -1.153 0.000 4.202 21 S CB -1.090 61.801 63.200 -0.516 0.000 0.562 21 S HN 0.831 nan 8.310 nan 0.000 0.454 22 E N 1.649 121.524 120.200 -0.541 0.000 2.216 22 E HA 0.647 4.997 4.350 -0.000 0.000 0.279 22 E C -0.644 175.872 176.600 -0.141 0.000 0.997 22 E CA -0.229 55.987 56.400 -0.308 0.000 0.817 22 E CB 1.722 31.319 29.700 -0.173 0.000 1.096 22 E HN 0.347 nan 8.360 nan 0.000 0.393 23 V N 2.488 122.387 119.914 -0.025 0.000 2.891 23 V HA 0.379 4.499 4.120 -0.000 0.000 0.304 23 V C -0.478 175.666 176.094 0.082 0.000 1.171 23 V CA -0.917 61.442 62.300 0.097 0.000 0.943 23 V CB 2.598 34.584 31.823 0.273 0.000 1.037 23 V HN 0.552 nan 8.190 nan 0.000 0.427 24 K N 4.062 124.506 120.400 0.073 0.000 2.468 24 K HA 0.833 5.153 4.320 -0.000 0.000 0.252 24 K C -1.822 174.822 176.600 0.073 0.000 0.932 24 K CA -0.657 55.657 56.287 0.045 0.000 0.794 24 K CB 2.120 34.612 32.500 -0.012 0.000 1.241 24 K HN 0.577 nan 8.250 nan 0.000 0.428 25 L N 0.245 121.502 121.223 0.056 0.000 2.319 25 L HA 0.613 4.953 4.340 -0.000 0.000 0.267 25 L C -0.711 176.165 176.870 0.010 0.000 1.011 25 L CA -0.545 54.379 54.840 0.140 0.000 0.818 25 L CB 1.528 43.668 42.059 0.134 0.000 1.316 25 L HN 0.562 nan 8.230 nan 0.000 0.432 26 H N 1.579 120.596 119.070 -0.087 0.000 2.524 26 H HA 0.716 5.272 4.556 -0.000 0.000 0.353 26 H C -0.704 174.604 175.328 -0.032 0.000 1.136 26 H CA -0.815 55.119 56.048 -0.190 0.000 1.193 26 H CB 2.377 31.952 29.762 -0.311 0.000 1.558 26 H HN 0.496 nan 8.280 nan 0.000 0.515 27 L N 0.610 121.912 121.223 0.133 0.000 2.670 27 L HA 0.460 4.800 4.340 -0.000 0.000 0.251 27 L C -0.537 176.410 176.870 0.128 0.000 1.548 27 L CA -0.672 54.253 54.840 0.141 0.000 1.643 27 L CB 0.821 42.993 42.059 0.187 0.000 2.174 27 L HN 0.592 nan 8.230 nan 0.000 0.585 28 D N -0.758 119.716 120.400 0.124 0.000 2.484 28 D HA 0.259 4.899 4.640 -0.000 0.000 0.223 28 D C -0.064 176.300 176.300 0.107 0.000 1.350 28 D CA -0.173 53.896 54.000 0.115 0.000 0.940 28 D CB 0.239 41.090 40.800 0.084 0.000 1.525 28 D HN 0.434 nan 8.370 nan 0.000 0.504 29 I N -0.383 120.262 120.570 0.126 0.000 3.780 29 I HA 0.204 4.374 4.170 -0.000 0.000 0.123 29 I C 0.789 176.968 176.117 0.104 0.000 1.013 29 I CA -0.067 61.295 61.300 0.103 0.000 1.344 29 I CB -0.192 37.865 38.000 0.095 0.000 1.195 29 I HN 0.234 nan 8.210 nan 0.000 0.453 30 E N 1.031 121.301 120.200 0.118 0.000 2.014 30 E HA 0.323 4.673 4.350 -0.000 0.000 0.275 30 E C 0.432 177.188 176.600 0.260 0.000 0.997 30 E CA -0.170 56.310 56.400 0.135 0.000 0.804 30 E CB 0.194 29.950 29.700 0.094 0.000 1.090 30 E HN 0.686 nan 8.360 nan 0.000 0.401 31 G N 4.065 112.959 108.800 0.157 0.000 2.205 31 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.269 31 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.269 31 G C -0.093 174.772 174.900 -0.058 0.000 0.977 31 G CA 1.110 46.250 45.100 0.067 0.000 0.652 31 G HN 0.648 nan 8.290 nan 0.000 0.539 32 H N -0.434 118.660 119.070 0.040 0.000 2.637 32 H HA 0.708 5.264 4.556 -0.000 0.000 0.363 32 H C 0.273 175.644 175.328 0.072 0.000 1.131 32 H CA -0.004 56.072 56.048 0.046 0.000 1.183 32 H CB 1.827 31.610 29.762 0.035 0.000 1.637 32 H HN 0.494 nan 8.280 nan 0.000 0.531 33 A N 2.321 125.252 122.820 0.185 0.000 2.269 33 A HA 0.498 4.818 4.320 -0.000 0.000 0.302 33 A C -0.219 177.525 177.584 0.267 0.000 1.266 33 A CA -0.479 51.689 52.037 0.218 0.000 0.894 33 A CB 0.084 19.241 19.000 0.262 0.000 1.147 33 A HN 0.620 nan 8.150 nan 0.000 0.537 34 S N 1.237 117.069 115.700 0.219 0.000 2.616 34 S HA 0.536 5.006 4.470 -0.000 0.000 0.277 34 S C -0.760 173.891 174.600 0.084 0.000 1.234 34 S CA -0.273 57.995 58.200 0.114 0.000 1.028 34 S CB 0.475 63.748 63.200 0.122 0.000 0.988 34 S HN 0.718 nan 8.310 nan 0.000 0.522 35 H N 1.090 119.902 119.070 -0.429 0.000 2.970 35 H HA 0.436 4.992 4.556 -0.000 0.000 0.315 35 H C -1.515 173.487 175.328 -0.544 0.000 0.992 35 H CA -0.301 55.497 56.048 -0.416 0.000 1.363 35 H CB 0.322 29.895 29.762 -0.315 0.000 1.532 35 H HN 0.487 nan 8.280 nan 0.000 0.514 36 Y N 0.946 121.207 120.300 -0.065 0.000 2.376 36 Y HA 0.436 4.986 4.550 -0.000 0.000 0.340 36 Y C 0.271 176.143 175.900 -0.047 0.000 0.965 36 Y CA -1.023 57.059 58.100 -0.029 0.000 1.078 36 Y CB 1.982 40.436 38.460 -0.010 0.000 1.193 36 Y HN 0.500 nan 8.280 nan 0.000 0.452 37 T N 1.318 115.945 114.554 0.121 0.000 2.791 37 T HA 0.664 5.014 4.350 -0.000 0.000 0.288 37 T C -0.631 174.119 174.700 0.083 0.000 0.999 37 T CA -0.594 61.546 62.100 0.066 0.000 0.952 37 T CB 0.203 69.085 68.868 0.022 0.000 0.938 37 T HN 0.503 nan 8.240 nan 0.000 0.444 38 I N 5.245 125.872 120.570 0.096 0.000 2.347 38 I HA 0.298 4.468 4.170 -0.000 0.000 0.283 38 I C -2.423 173.760 176.117 0.110 0.000 1.058 38 I CA -2.528 58.842 61.300 0.116 0.000 1.202 38 I CB 1.434 39.525 38.000 0.152 0.000 1.386 38 I HN 0.382 nan 8.210 nan 0.000 0.475 39 P HA 0.045 nan 4.420 nan 0.000 0.256 39 P C 0.666 177.921 177.300 -0.076 0.000 1.689 39 P CA -0.427 62.601 63.100 -0.120 0.000 1.124 39 P CB -0.080 31.557 31.700 -0.105 0.000 1.766 40 W N 1.594 122.879 121.300 -0.024 0.000 2.721 40 W HA -0.068 4.592 4.660 -0.000 0.000 0.245 40 W C 0.993 177.501 176.519 -0.019 0.000 1.276 40 W CA 0.734 58.066 57.345 -0.022 0.000 1.342 40 W CB -2.054 27.387 29.460 -0.033 0.000 1.135 40 W HN 0.176 nan 8.180 nan 0.000 0.654 41 T N 1.104 115.471 114.554 -0.311 0.000 2.777 41 T HA -0.260 4.090 4.350 -0.000 0.000 0.266 41 T C 1.758 176.406 174.700 -0.087 0.000 1.040 41 T CA 2.193 64.135 62.100 -0.263 0.000 1.141 41 T CB -0.185 68.450 68.868 -0.387 0.000 0.868 41 T HN 0.310 nan 8.240 nan 0.000 0.444 42 E N -0.277 119.879 120.200 -0.073 0.000 2.158 42 E HA -0.014 4.336 4.350 -0.000 0.000 0.191 42 E C 2.337 178.944 176.600 0.013 0.000 0.982 42 E CA 0.476 56.859 56.400 -0.028 0.000 0.823 42 E CB -0.170 29.511 29.700 -0.031 0.000 0.766 42 E HN 0.534 nan 8.360 nan 0.000 0.468 43 L N 0.395 121.644 121.223 0.043 0.000 2.046 43 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 43 L C 2.744 179.659 176.870 0.074 0.000 1.077 43 L CA 1.094 55.975 54.840 0.068 0.000 0.747 43 L CB -0.321 41.803 42.059 0.107 0.000 0.896 43 L HN 0.281 nan 8.230 nan 0.000 0.432 44 M N -0.852 118.807 119.600 0.099 0.000 2.267 44 M HA -0.207 4.273 4.480 -0.000 0.000 0.263 44 M C 2.341 178.677 176.300 0.059 0.000 1.063 44 M CA 1.643 57.000 55.300 0.095 0.000 1.090 44 M CB -0.481 32.197 32.600 0.130 0.000 1.392 44 M HN 0.346 nan 8.290 nan 0.000 0.422 45 A N 0.332 123.176 122.820 0.041 0.000 1.874 45 A HA -0.089 4.231 4.320 -0.000 0.000 0.214 45 A C 2.064 179.664 177.584 0.027 0.000 1.189 45 A CA 1.223 53.276 52.037 0.028 0.000 0.615 45 A CB -0.301 18.707 19.000 0.014 0.000 0.830 45 A HN 0.364 nan 8.150 nan 0.000 0.443 46 K N -0.715 119.701 120.400 0.027 0.000 2.486 46 K HA 0.153 4.473 4.320 -0.000 0.000 0.194 46 K C -0.605 176.012 176.600 0.029 0.000 1.033 46 K CA 0.216 56.518 56.287 0.025 0.000 1.004 46 K CB 0.155 32.668 32.500 0.021 0.000 0.798 46 K HN 0.322 nan 8.250 nan 0.000 0.495 47 V N 1.555 121.491 119.914 0.036 0.000 2.680 47 V HA 0.146 4.266 4.120 -0.000 0.000 0.309 47 V C -1.683 174.436 176.094 0.041 0.000 1.052 47 V CA -1.419 60.904 62.300 0.038 0.000 0.908 47 V CB 1.784 33.631 31.823 0.041 0.000 1.001 47 V HN -0.018 nan 8.190 nan 0.000 0.431 48 P HA 0.074 nan 4.420 nan 0.000 0.210 48 P C 1.345 178.668 177.300 0.038 0.000 1.173 48 P CA 1.202 64.325 63.100 0.039 0.000 0.898 48 P CB 0.412 32.137 31.700 0.041 0.000 0.758 49 G N 0.248 109.070 108.800 0.036 0.000 2.776 49 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.209 49 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.209 49 G C 0.737 175.654 174.900 0.029 0.000 1.145 49 G CA -0.254 44.864 45.100 0.031 0.000 0.791 49 G HN 0.224 nan 8.290 nan 0.000 0.530 50 L N 2.805 124.047 121.223 0.032 0.000 2.454 50 L HA 0.272 4.612 4.340 -0.000 0.000 0.284 50 L C 0.081 176.970 176.870 0.031 0.000 1.139 50 L CA -0.443 54.413 54.840 0.026 0.000 0.911 50 L CB 0.518 42.599 42.059 0.037 0.000 1.262 50 L HN 0.130 nan 8.230 nan 0.000 0.453 51 S N 4.226 119.934 115.700 0.014 0.000 2.328 51 S HA 0.342 4.812 4.470 -0.000 0.000 0.204 51 S C -1.440 173.143 174.600 -0.029 0.000 1.475 51 S CA -1.191 57.017 58.200 0.012 0.000 1.148 51 S CB 0.826 64.040 63.200 0.022 0.000 1.077 51 S HN 0.491 nan 8.310 nan 0.000 0.479 52 P HA -0.215 nan 4.420 nan 0.000 0.217 52 P C 1.283 178.477 177.300 -0.176 0.000 1.151 52 P CA 1.325 64.305 63.100 -0.200 0.000 0.849 52 P CB 0.233 31.673 31.700 -0.434 0.000 0.787 53 E N -0.032 120.071 120.200 -0.162 0.000 2.097 53 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 53 E C 2.181 178.807 176.600 0.044 0.000 1.000 53 E CA 1.662 58.018 56.400 -0.073 0.000 0.804 53 E CB -0.806 28.875 29.700 -0.031 0.000 0.740 53 E HN 0.256 nan 8.360 nan 0.000 0.454 54 A N 0.801 123.644 122.820 0.037 0.000 1.854 54 A HA -0.101 4.219 4.320 -0.000 0.000 0.214 54 A C 2.458 180.099 177.584 0.096 0.000 1.192 54 A CA 1.072 53.149 52.037 0.067 0.000 0.611 54 A CB -0.796 18.237 19.000 0.055 0.000 0.832 54 A HN 0.212 nan 8.150 nan 0.000 0.442 55 L N -1.393 119.868 121.223 0.064 0.000 2.079 55 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 55 L C 2.629 179.581 176.870 0.137 0.000 1.081 55 L CA 1.584 56.457 54.840 0.054 0.000 0.752 55 L CB -0.514 41.463 42.059 -0.137 0.000 0.896 55 L HN 0.801 nan 8.230 nan 0.000 0.433 56 W N 1.281 122.542 121.300 -0.063 0.000 2.374 56 W HA -0.237 4.423 4.660 -0.000 0.000 0.288 56 W C 2.525 179.052 176.519 0.012 0.000 1.218 56 W CA 1.424 58.739 57.345 -0.050 0.000 1.245 56 W CB 0.001 29.380 29.460 -0.136 0.000 1.126 56 W HN 0.109 nan 8.180 nan 0.000 0.545 57 R N 1.008 121.556 120.500 0.080 0.000 2.100 57 R HA -0.058 4.282 4.340 -0.000 0.000 0.220 57 R C 2.149 178.446 176.300 -0.007 0.000 1.091 57 R CA 1.743 57.845 56.100 0.003 0.000 0.986 57 R CB -0.826 29.523 30.300 0.082 0.000 0.888 57 R HN 0.148 nan 8.270 nan 0.000 0.444 58 E N 0.351 120.599 120.200 0.079 0.000 2.070 58 E HA -0.139 4.211 4.350 -0.000 0.000 0.197 58 E C 0.054 176.670 176.600 0.026 0.000 1.004 58 E CA 1.259 57.721 56.400 0.105 0.000 0.805 58 E CB -0.242 29.616 29.700 0.264 0.000 0.744 58 E HN 0.337 nan 8.360 nan 0.000 0.451 59 A N 2.294 125.140 122.820 0.044 0.000 2.376 59 A HA 0.074 4.394 4.320 -0.000 0.000 0.298 59 A C -0.077 177.383 177.584 -0.207 0.000 1.271 59 A CA -0.361 51.629 52.037 -0.079 0.000 0.926 59 A CB -0.010 19.003 19.000 0.023 0.000 1.141 59 A HN 0.043 nan 8.150 nan 0.000 0.539 60 N N 2.827 121.432 118.700 -0.159 0.000 2.396 60 N HA -0.005 4.735 4.740 -0.000 0.000 0.287 60 N C 1.419 176.796 175.510 -0.223 0.000 1.316 60 N CA 0.109 53.060 53.050 -0.165 0.000 0.972 60 N CB 0.616 39.041 38.487 -0.105 0.000 1.341 60 N HN 0.457 nan 8.380 nan 0.000 0.487 61 V N 1.699 121.413 119.914 -0.333 0.000 2.427 61 V HA -0.154 3.966 4.120 -0.000 0.000 0.248 61 V C 1.562 177.551 176.094 -0.175 0.000 1.051 61 V CA 1.601 63.684 62.300 -0.361 0.000 1.048 61 V CB -0.698 30.783 31.823 -0.569 0.000 0.666 61 V HN 0.556 nan 8.190 nan 0.000 0.456 62 T N -0.308 114.173 114.554 -0.122 0.000 3.244 62 T HA 0.141 4.491 4.350 -0.000 0.000 0.254 62 T C 0.539 175.200 174.700 -0.064 0.000 1.024 62 T CA -0.129 61.932 62.100 -0.064 0.000 0.920 62 T CB -0.421 68.429 68.868 -0.030 0.000 1.042 62 T HN 0.600 nan 8.240 nan 0.000 0.572 63 E N 4.248 124.396 120.200 -0.087 0.000 2.059 63 E HA -0.016 4.334 4.350 -0.000 0.000 0.262 63 E C 0.061 176.619 176.600 -0.070 0.000 1.230 63 E CA -0.558 55.794 56.400 -0.079 0.000 0.951 63 E CB 0.100 29.741 29.700 -0.099 0.000 1.038 63 E HN 0.495 nan 8.360 nan 0.000 0.425 64 D N 4.342 124.710 120.400 -0.053 0.000 2.730 64 D HA -0.211 4.429 4.640 -0.000 0.000 0.225 64 D C 1.355 177.622 176.300 -0.055 0.000 1.107 64 D CA 0.052 54.024 54.000 -0.046 0.000 0.837 64 D CB 0.931 41.710 40.800 -0.035 0.000 1.171 64 D HN 0.543 nan 8.370 nan 0.000 0.498 65 L N 2.595 123.786 121.223 -0.054 0.000 2.095 65 L HA -0.405 3.935 4.340 -0.000 0.000 0.229 65 L C 2.674 179.507 176.870 -0.061 0.000 1.097 65 L CA 2.656 57.460 54.840 -0.060 0.000 0.813 65 L CB -0.567 41.462 42.059 -0.049 0.000 0.907 65 L HN 0.735 nan 8.230 nan 0.000 0.445 66 A N -0.824 121.967 122.820 -0.049 0.000 1.877 66 A HA -0.253 4.067 4.320 -0.000 0.000 0.216 66 A C 2.408 179.962 177.584 -0.049 0.000 1.186 66 A CA 2.241 54.252 52.037 -0.044 0.000 0.620 66 A CB -0.869 18.111 19.000 -0.034 0.000 0.822 66 A HN 0.648 nan 8.150 nan 0.000 0.443 67 S N -0.507 115.161 115.700 -0.053 0.000 2.419 67 S HA -0.209 4.261 4.470 -0.000 0.000 0.233 67 S C 2.054 176.604 174.600 -0.084 0.000 1.016 67 S CA 1.626 59.789 58.200 -0.061 0.000 0.974 67 S CB -0.611 62.555 63.200 -0.056 0.000 0.786 67 S HN 0.589 nan 8.310 nan 0.000 0.492 68 M N 1.172 120.716 119.600 -0.093 0.000 2.086 68 M HA -0.064 4.416 4.480 -0.000 0.000 0.261 68 M C 2.031 178.267 176.300 -0.107 0.000 1.067 68 M CA 1.588 56.815 55.300 -0.122 0.000 1.116 68 M CB -0.539 31.978 32.600 -0.138 0.000 1.348 68 M HN 0.416 nan 8.290 nan 0.000 0.407 69 L N 1.299 122.479 121.223 -0.070 0.000 1.978 69 L HA -0.330 4.010 4.340 -0.000 0.000 0.218 69 L C 2.198 179.096 176.870 0.046 0.000 1.075 69 L CA 2.366 57.209 54.840 0.005 0.000 0.767 69 L CB -1.437 40.623 42.059 0.002 0.000 0.890 69 L HN 0.533 nan 8.230 nan 0.000 0.434 70 N N 0.054 118.743 118.700 -0.018 0.000 2.289 70 N HA -0.254 4.486 4.740 -0.000 0.000 0.184 70 N C 1.750 177.213 175.510 -0.078 0.000 1.016 70 N CA 1.146 54.175 53.050 -0.036 0.000 0.872 70 N CB -0.553 37.908 38.487 -0.045 0.000 0.973 70 N HN 0.234 nan 8.380 nan 0.000 0.433 71 R N -1.122 119.298 120.500 -0.134 0.000 2.328 71 R HA -0.116 4.224 4.340 -0.000 0.000 0.207 71 R C 1.057 177.316 176.300 -0.069 0.000 1.056 71 R CA 0.756 56.694 56.100 -0.270 0.000 1.016 71 R CB -0.145 29.949 30.300 -0.344 0.000 0.872 71 R HN 0.602 nan 8.270 nan 0.000 0.471 72 Y N 0.089 120.306 120.300 -0.139 0.000 2.607 72 Y HA 0.116 4.666 4.550 -0.000 0.000 0.276 72 Y C 1.610 177.543 175.900 0.055 0.000 1.117 72 Y CA 0.328 58.363 58.100 -0.108 0.000 1.273 72 Y CB 0.177 38.369 38.460 -0.447 0.000 1.282 72 Y HN -0.095 nan 8.280 nan 0.000 0.514 73 K N 1.575 121.728 120.400 -0.412 0.000 2.439 73 K HA -0.006 4.314 4.320 -0.000 0.000 0.197 73 K C 0.920 177.519 176.600 -0.002 0.000 1.041 73 K CA 1.327 57.392 56.287 -0.369 0.000 0.970 73 K CB -0.477 31.935 32.500 -0.146 0.000 0.773 73 K HN 0.508 nan 8.250 nan 0.000 0.479 74 L N -0.219 121.014 121.223 0.017 0.000 2.805 74 L HA 0.440 4.780 4.340 -0.000 0.000 0.237 74 L C -0.734 176.178 176.870 0.070 0.000 1.252 74 L CA -0.382 54.536 54.840 0.130 0.000 1.064 74 L CB 0.180 42.290 42.059 0.085 0.000 1.361 74 L HN -0.053 nan 8.230 nan 0.000 0.474 75 I N 0.271 120.791 120.570 -0.083 0.000 2.533 75 I HA 0.278 4.448 4.170 -0.000 0.000 0.290 75 I C -0.270 175.394 176.117 -0.755 0.000 1.056 75 I CA -0.860 60.295 61.300 -0.241 0.000 1.057 75 I CB 1.361 39.321 38.000 -0.067 0.000 1.240 75 I HN 0.047 nan 8.210 nan 0.000 0.423 76 Y N 6.964 126.695 120.300 -0.948 0.000 2.757 76 Y HA 0.005 4.555 4.550 -0.000 0.000 0.344 76 Y C 0.089 175.563 175.900 -0.711 0.000 1.263 76 Y CA 0.488 57.847 58.100 -1.235 0.000 1.493 76 Y CB 0.498 38.548 38.460 -0.684 0.000 1.342 76 Y HN 0.354 nan 8.280 nan 0.000 0.627 77 K N 3.716 123.349 120.400 -1.278 0.000 2.450 77 K HA 0.164 4.484 4.320 -0.000 0.000 0.257 77 K C -0.551 175.437 176.600 -1.019 0.000 0.953 77 K CA -0.480 55.354 56.287 -0.754 0.000 0.844 77 K CB 1.075 33.437 32.500 -0.231 0.000 1.103 77 K HN 0.717 nan 8.250 nan 0.000 0.429 78 T N -0.159 114.010 114.554 -0.642 0.000 4.282 78 T HA -0.029 4.321 4.350 -0.000 0.000 0.231 78 T C 1.433 175.989 174.700 -0.240 0.000 1.004 78 T CA -0.106 61.750 62.100 -0.408 0.000 1.146 78 T CB -0.614 68.147 68.868 -0.177 0.000 1.285 78 T HN 0.470 nan 8.240 nan 0.000 0.971 79 S N 2.998 118.549 115.700 -0.248 0.000 2.456 79 S HA -0.114 4.356 4.470 -0.000 0.000 0.232 79 S C 1.798 176.366 174.600 -0.054 0.000 1.046 79 S CA 0.867 59.003 58.200 -0.107 0.000 1.175 79 S CB -1.360 61.808 63.200 -0.053 0.000 1.129 79 S HN 0.872 nan 8.310 nan 0.000 0.420 80 G N 2.566 111.352 108.800 -0.023 0.000 3.102 80 G HA2 0.385 4.345 3.960 -0.000 0.000 0.264 80 G HA3 0.385 4.345 3.960 -0.000 0.000 0.264 80 G C -0.337 174.555 174.900 -0.013 0.000 0.788 80 G CA -0.433 44.665 45.100 -0.004 0.000 2.029 80 G HN 0.433 nan 8.290 nan 0.000 0.608 81 T N 2.230 116.768 114.554 -0.027 0.000 2.771 81 T HA 0.281 4.631 4.350 -0.000 0.000 0.277 81 T C 0.425 175.112 174.700 -0.022 0.000 0.919 81 T CA 0.174 62.254 62.100 -0.032 0.000 1.163 81 T CB -0.172 68.678 68.868 -0.030 0.000 0.876 81 T HN 0.484 nan 8.240 nan 0.000 0.545 82 L N 1.826 123.033 121.223 -0.027 0.000 2.313 82 L HA 1.075 5.415 4.340 -0.000 0.000 0.268 82 L C 0.109 176.963 176.870 -0.027 0.000 1.010 82 L CA -0.647 54.186 54.840 -0.011 0.000 0.814 82 L CB 1.763 43.827 42.059 0.007 0.000 1.304 82 L HN 0.464 nan 8.230 nan 0.000 0.441 83 G N 0.700 109.506 108.800 0.011 0.000 2.684 83 G HA2 0.773 4.733 3.960 -0.000 0.000 0.290 83 G HA3 0.773 4.733 3.960 -0.000 0.000 0.290 83 G C -1.303 173.648 174.900 0.085 0.000 1.425 83 G CA -0.467 44.657 45.100 0.040 0.000 0.822 83 G HN 1.055 nan 8.290 nan 0.000 0.482 84 I N -2.656 117.997 120.570 0.139 0.000 3.334 84 I HA 0.801 4.971 4.170 -0.000 0.000 0.316 84 I C -0.007 176.196 176.117 0.142 0.000 1.251 84 I CA -1.752 59.624 61.300 0.127 0.000 0.929 84 I CB 1.794 39.870 38.000 0.128 0.000 1.317 84 I HN 0.756 nan 8.210 nan 0.000 0.479 85 A N 2.479 125.364 122.820 0.108 0.000 2.347 85 A HA 0.751 5.071 4.320 -0.000 0.000 0.287 85 A C -0.493 177.152 177.584 0.102 0.000 1.199 85 A CA -0.016 52.080 52.037 0.098 0.000 0.851 85 A CB -0.369 18.673 19.000 0.070 0.000 1.118 85 A HN 0.603 nan 8.150 nan 0.000 0.525 86 L N 3.082 124.376 121.223 0.118 0.000 2.492 86 L HA 0.402 4.742 4.340 -0.000 0.000 0.259 86 L C 0.284 177.216 176.870 0.103 0.000 1.229 86 L CA -0.316 54.579 54.840 0.092 0.000 0.903 86 L CB 1.180 43.288 42.059 0.081 0.000 1.114 86 L HN 0.742 nan 8.230 nan 0.000 0.494 87 A N 1.827 124.695 122.820 0.080 0.000 2.362 87 A HA 0.365 4.685 4.320 -0.000 0.000 0.276 87 A C 0.491 178.122 177.584 0.078 0.000 1.153 87 A CA -0.258 51.831 52.037 0.086 0.000 0.813 87 A CB 0.368 19.404 19.000 0.060 0.000 1.081 87 A HN 0.730 nan 8.150 nan 0.000 0.507 88 E N 3.818 124.091 120.200 0.120 0.000 2.452 88 E HA 0.219 4.569 4.350 -0.000 0.000 0.261 88 E C -2.171 174.462 176.600 0.055 0.000 0.987 88 E CA -1.006 55.452 56.400 0.097 0.000 0.926 88 E CB 0.106 29.923 29.700 0.194 0.000 0.934 88 E HN 0.406 nan 8.360 nan 0.000 0.452 89 P HA -0.004 nan 4.420 nan 0.000 0.274 89 P C -0.826 176.487 177.300 0.023 0.000 1.246 89 P CA -0.594 62.523 63.100 0.029 0.000 0.795 89 P CB 0.744 32.463 31.700 0.032 0.000 1.006 90 V N 1.760 121.682 119.914 0.014 0.000 2.521 90 V HA 0.032 4.152 4.120 -0.000 0.000 0.286 90 V C 0.235 176.314 176.094 -0.025 0.000 1.034 90 V CA 0.796 63.086 62.300 -0.017 0.000 1.045 90 V CB 0.385 32.199 31.823 -0.015 0.000 0.974 90 V HN 0.453 nan 8.190 nan 0.000 0.480 91 D N 4.383 124.712 120.400 -0.119 0.000 2.855 91 D HA 0.344 4.984 4.640 -0.000 0.000 0.257 91 D C 0.506 176.381 176.300 -0.709 0.000 1.542 91 D CA 0.459 54.301 54.000 -0.265 0.000 1.164 91 D CB 0.095 40.751 40.800 -0.240 0.000 1.004 91 D HN 0.591 nan 8.370 nan 0.000 0.293 92 I N 3.732 123.757 120.570 -0.907 0.000 2.598 92 I HA 0.141 4.311 4.170 -0.000 0.000 0.284 92 I C -1.718 174.144 176.117 -0.426 0.000 1.140 92 I CA -1.165 59.567 61.300 -0.946 0.000 1.420 92 I CB 0.464 38.002 38.000 -0.769 0.000 1.387 92 I HN 0.112 nan 8.210 nan 0.000 0.553 93 P HA 0.274 nan 4.420 nan 0.000 0.279 93 P C -0.813 176.423 177.300 -0.107 0.000 1.252 93 P CA -0.580 62.444 63.100 -0.126 0.000 0.811 93 P CB 1.085 32.761 31.700 -0.041 0.000 1.035 94 A N 2.322 125.098 122.820 -0.073 0.000 2.454 94 A HA 0.188 4.508 4.320 -0.000 0.000 0.260 94 A C 0.557 178.118 177.584 -0.040 0.000 1.106 94 A CA -0.487 51.515 52.037 -0.058 0.000 0.780 94 A CB -0.343 18.629 19.000 -0.046 0.000 1.044 94 A HN 0.529 nan 8.150 nan 0.000 0.498 95 V N 4.467 124.360 119.914 -0.036 0.000 2.832 95 V HA -0.035 4.085 4.120 -0.000 0.000 0.299 95 V C 1.074 177.157 176.094 -0.017 0.000 1.201 95 V CA 1.243 63.531 62.300 -0.021 0.000 1.325 95 V CB -0.267 31.546 31.823 -0.017 0.000 0.871 95 V HN 1.103 nan 8.190 nan 0.000 0.509 96 S N 4.752 120.445 115.700 -0.013 0.000 2.587 96 S HA 0.113 4.583 4.470 -0.000 0.000 0.252 96 S C 0.853 175.445 174.600 -0.013 0.000 1.282 96 S CA 0.323 58.514 58.200 -0.014 0.000 0.977 96 S CB 0.228 63.418 63.200 -0.016 0.000 1.015 96 S HN 0.968 nan 8.310 nan 0.000 0.557 97 E N 0.614 120.806 120.200 -0.014 0.000 2.931 97 E HA -0.066 4.284 4.350 -0.000 0.000 0.396 97 E C 1.397 177.991 176.600 -0.011 0.000 0.760 97 E CA 0.640 57.033 56.400 -0.012 0.000 2.407 97 E CB -0.668 29.024 29.700 -0.013 0.000 1.219 97 E HN 0.678 nan 8.360 nan 0.000 0.546 98 G N 0.870 109.663 108.800 -0.011 0.000 3.356 98 G HA2 0.007 3.967 3.960 -0.000 0.000 0.239 98 G HA3 0.007 3.967 3.960 -0.000 0.000 0.239 98 G C -0.326 174.569 174.900 -0.009 0.000 1.252 98 G CA -0.040 45.054 45.100 -0.010 0.000 1.611 98 G HN 0.103 nan 8.290 nan 0.000 0.580 99 S N 1.726 117.422 115.700 -0.007 0.000 2.571 99 S HA 0.054 4.524 4.470 -0.000 0.000 0.297 99 S C 0.996 175.595 174.600 -0.001 0.000 1.234 99 S CA 0.025 58.223 58.200 -0.003 0.000 1.120 99 S CB 0.342 63.542 63.200 0.000 0.000 0.923 99 S HN 0.266 nan 8.310 nan 0.000 0.504 100 M N 4.560 124.159 119.600 -0.003 0.000 2.760 100 M HA -0.004 4.476 4.480 -0.000 0.000 0.314 100 M C 0.694 176.998 176.300 0.006 0.000 1.582 100 M CA 0.466 55.762 55.300 -0.007 0.000 1.484 100 M CB -1.034 31.551 32.600 -0.025 0.000 1.621 100 M HN 0.602 nan 8.290 nan 0.000 0.470 101 Q N 2.602 122.409 119.800 0.012 0.000 2.281 101 Q HA 0.456 4.796 4.340 -0.000 0.000 0.267 101 Q C -0.204 175.820 176.000 0.041 0.000 1.053 101 Q CA -0.424 55.392 55.803 0.021 0.000 0.905 101 Q CB 0.278 29.024 28.738 0.014 0.000 1.195 101 Q HN 0.502 nan 8.270 nan 0.000 0.398 102 V N -0.718 119.227 119.914 0.050 0.000 2.881 102 V HA 0.480 4.600 4.120 -0.000 0.000 0.316 102 V C -0.558 175.561 176.094 0.041 0.000 1.070 102 V CA -1.266 61.089 62.300 0.093 0.000 0.976 102 V CB 1.818 33.727 31.823 0.144 0.000 1.038 102 V HN 0.850 nan 8.190 nan 0.000 0.446 103 D N 1.924 122.338 120.400 0.024 0.000 2.255 103 D HA 0.621 5.261 4.640 -0.000 0.000 0.249 103 D C 0.842 177.101 176.300 -0.069 0.000 1.078 103 D CA 0.208 54.189 54.000 -0.033 0.000 0.896 103 D CB 2.038 42.806 40.800 -0.054 0.000 1.194 103 D HN 0.831 nan 8.370 nan 0.000 0.429 104 A N 2.863 125.624 122.820 -0.098 0.000 1.975 104 A HA -0.036 4.284 4.320 -0.000 0.000 0.215 104 A C 2.121 179.559 177.584 -0.244 0.000 1.170 104 A CA 1.042 52.973 52.037 -0.176 0.000 0.656 104 A CB -0.838 18.049 19.000 -0.188 0.000 0.821 104 A HN 0.588 nan 8.150 nan 0.000 0.449 105 S N -0.838 114.768 115.700 -0.156 0.000 2.372 105 S HA -0.124 4.346 4.470 -0.000 0.000 0.227 105 S C 0.770 175.349 174.600 -0.035 0.000 1.044 105 S CA 1.319 59.461 58.200 -0.096 0.000 1.050 105 S CB -0.166 63.014 63.200 -0.034 0.000 0.901 105 S HN 0.366 nan 8.310 nan 0.000 0.447 106 K N 1.108 121.467 120.400 -0.068 0.000 2.482 106 K HA 0.406 4.726 4.320 -0.000 0.000 0.251 106 K C -1.004 175.515 176.600 -0.134 0.000 0.936 106 K CA -0.605 55.649 56.287 -0.054 0.000 0.791 106 K CB 2.047 34.506 32.500 -0.069 0.000 1.213 106 K HN 0.206 nan 8.250 nan 0.000 0.428 107 V N 0.274 120.148 119.914 -0.067 0.000 2.539 107 V HA 0.469 4.589 4.120 -0.000 0.000 0.292 107 V C -0.062 175.995 176.094 -0.061 0.000 1.045 107 V CA -0.667 61.611 62.300 -0.036 0.000 0.945 107 V CB 0.658 32.511 31.823 0.050 0.000 0.993 107 V HN 0.653 nan 8.190 nan 0.000 0.464 108 H N 5.212 124.283 119.070 0.002 0.000 2.790 108 H HA 0.252 4.808 4.556 -0.000 0.000 0.358 108 H C -1.502 173.828 175.328 0.004 0.000 1.103 108 H CA -1.361 54.689 56.048 0.003 0.000 1.426 108 H CB -0.009 29.753 29.762 0.000 0.000 1.424 108 H HN 0.512 nan 8.280 nan 0.000 0.599 109 P HA -0.096 nan 4.420 nan 0.000 0.224 109 P C 0.493 177.828 177.300 0.058 0.000 1.142 109 P CA 1.258 64.394 63.100 0.061 0.000 0.778 109 P CB 0.377 32.102 31.700 0.042 0.000 0.764 110 G N -1.029 107.817 108.800 0.077 0.000 3.176 110 G HA2 0.482 4.442 3.960 -0.000 0.000 0.272 110 G HA3 0.482 4.442 3.960 -0.000 0.000 0.272 110 G C -0.997 173.918 174.900 0.025 0.000 1.349 110 G CA -0.454 44.669 45.100 0.039 0.000 0.953 110 G HN -0.116 nan 8.290 nan 0.000 0.559 111 V N -0.218 119.692 119.914 -0.007 0.000 3.083 111 V HA 0.382 4.502 4.120 -0.000 0.000 0.306 111 V C 0.276 176.318 176.094 -0.087 0.000 1.077 111 V CA -0.000 62.282 62.300 -0.030 0.000 1.073 111 V CB 1.441 33.252 31.823 -0.019 0.000 1.081 111 V HN 0.559 nan 8.190 nan 0.000 0.474 112 I N 0.796 121.299 120.570 -0.112 0.000 4.050 112 I HA 0.281 4.451 4.170 -0.000 0.000 0.328 112 I C 0.346 176.405 176.117 -0.096 0.000 1.439 112 I CA 0.652 61.849 61.300 -0.171 0.000 1.099 112 I CB 0.382 38.160 38.000 -0.371 0.000 1.469 112 I HN 0.553 nan 8.210 nan 0.000 0.572 113 S N -0.815 114.854 115.700 -0.051 0.000 3.070 113 S HA 0.882 5.352 4.470 -0.000 0.000 0.320 113 S C 0.203 174.799 174.600 -0.006 0.000 1.215 113 S CA -0.144 58.043 58.200 -0.022 0.000 0.956 113 S CB 1.327 64.525 63.200 -0.002 0.000 1.337 113 S HN 0.213 nan 8.310 nan 0.000 0.639 114 G N -0.298 108.509 108.800 0.011 0.000 3.190 114 G HA2 0.505 4.465 3.960 -0.000 0.000 0.191 114 G HA3 0.505 4.465 3.960 -0.000 0.000 0.191 114 G C -0.162 174.763 174.900 0.041 0.000 1.523 114 G CA 0.440 45.551 45.100 0.018 0.000 0.842 114 G HN 0.577 nan 8.290 nan 0.000 0.782 115 L N -1.153 120.101 121.223 0.051 0.000 2.753 115 L HA 0.447 4.787 4.340 -0.000 0.000 0.238 115 L C 1.289 178.214 176.870 0.092 0.000 1.028 115 L CA 0.824 55.718 54.840 0.090 0.000 0.966 115 L CB -0.130 41.974 42.059 0.075 0.000 1.681 115 L HN 0.293 nan 8.230 nan 0.000 0.511 116 N N -0.309 118.413 118.700 0.037 0.000 2.356 116 N HA 0.114 4.854 4.740 -0.000 0.000 0.178 116 N C 0.240 175.738 175.510 -0.020 0.000 1.075 116 N CA 0.601 53.648 53.050 -0.006 0.000 0.889 116 N CB -0.002 38.480 38.487 -0.008 0.000 0.999 116 N HN 0.358 nan 8.380 nan 0.000 0.464 117 S N 1.308 117.008 115.700 -0.000 0.000 2.552 117 S HA 0.186 4.656 4.470 -0.000 0.000 0.289 117 S C -2.398 172.196 174.600 -0.009 0.000 1.304 117 S CA -1.168 57.029 58.200 -0.006 0.000 1.063 117 S CB 0.222 63.423 63.200 0.000 0.000 0.848 117 S HN 0.017 nan 8.310 nan 0.000 0.499 118 P HA 0.506 nan 4.420 nan 0.000 0.269 118 P C -0.684 176.617 177.300 0.002 0.000 1.209 118 P CA -0.080 63.010 63.100 -0.016 0.000 0.776 118 P CB 0.529 32.218 31.700 -0.018 0.000 0.876 119 A N 1.214 124.043 122.820 0.015 0.000 2.597 119 A HA 0.704 5.024 4.320 -0.000 0.000 0.292 119 A C -1.014 176.596 177.584 0.043 0.000 1.057 119 A CA -0.333 51.722 52.037 0.029 0.000 0.674 119 A CB 0.708 19.734 19.000 0.044 0.000 1.278 119 A HN 0.787 nan 8.150 nan 0.000 0.416 120 c N -0.342 118.281 118.600 0.038 0.000 3.311 120 c HA 0.887 5.457 4.570 -0.000 0.000 0.325 120 c C -0.844 173.266 174.090 0.034 0.000 1.352 120 c CA -0.810 55.546 56.329 0.044 0.000 1.308 120 c CB 0.620 43.148 42.510 0.030 0.000 1.619 120 c HN 1.019 nan 8.230 nan 0.000 0.469 121 M N 1.912 121.532 119.600 0.033 0.000 2.456 121 M HA 0.521 5.001 4.480 -0.000 0.000 0.324 121 M C -0.670 175.636 176.300 0.010 0.000 1.124 121 M CA -0.569 54.739 55.300 0.015 0.000 0.959 121 M CB 1.805 34.403 32.600 -0.003 0.000 1.692 121 M HN 0.659 nan 8.290 nan 0.000 0.444 122 L N 1.541 122.764 121.223 0.000 0.000 2.455 122 L HA 0.122 4.462 4.340 -0.000 0.000 0.272 122 L C 1.150 178.019 176.870 -0.003 0.000 1.174 122 L CA -0.136 54.702 54.840 -0.004 0.000 0.869 122 L CB 0.856 42.910 42.059 -0.008 0.000 1.130 122 L HN 0.863 nan 8.230 nan 0.000 0.474 123 S N 2.158 117.857 115.700 -0.001 0.000 2.355 123 S HA -0.171 4.299 4.470 -0.000 0.000 0.222 123 S C 2.079 176.679 174.600 0.001 0.000 1.031 123 S CA 1.102 59.306 58.200 0.006 0.000 0.993 123 S CB -0.163 63.033 63.200 -0.007 0.000 0.859 123 S HN 0.831 nan 8.310 nan 0.000 0.453 124 A N 2.847 125.660 122.820 -0.012 0.000 1.884 124 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 124 A C 0.489 178.064 177.584 -0.016 0.000 1.197 124 A CA 2.076 54.103 52.037 -0.016 0.000 0.637 124 A CB -1.823 17.166 19.000 -0.018 0.000 0.827 124 A HN 0.536 nan 8.150 nan 0.000 0.450 125 P HA -0.035 nan 4.420 nan 0.000 0.217 125 P C 1.761 179.041 177.300 -0.033 0.000 1.154 125 P CA 0.969 64.049 63.100 -0.032 0.000 0.841 125 P CB -0.181 31.491 31.700 -0.048 0.000 0.790 126 L N 0.917 122.126 121.223 -0.024 0.000 2.013 126 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 126 L C 2.586 179.499 176.870 0.072 0.000 1.073 126 L CA 2.200 57.035 54.840 -0.008 0.000 0.753 126 L CB -1.446 40.621 42.059 0.014 0.000 0.890 126 L HN -0.125 nan 8.230 nan 0.000 0.432 127 E N -0.107 120.151 120.200 0.096 0.000 2.051 127 E HA -0.282 4.068 4.350 -0.000 0.000 0.192 127 E C 2.295 179.005 176.600 0.183 0.000 0.991 127 E CA 1.696 58.202 56.400 0.176 0.000 0.799 127 E CB -0.283 29.459 29.700 0.070 0.000 0.748 127 E HN 0.459 nan 8.360 nan 0.000 0.449 128 K N -0.163 120.273 120.400 0.060 0.000 2.281 128 K HA -0.217 4.103 4.320 -0.000 0.000 0.203 128 K C 2.167 178.812 176.600 0.075 0.000 1.046 128 K CA 1.451 57.746 56.287 0.014 0.000 0.938 128 K CB -0.016 32.465 32.500 -0.032 0.000 0.737 128 K HN 0.178 nan 8.250 nan 0.000 0.458 129 Q N 0.078 119.918 119.800 0.067 0.000 2.123 129 Q HA -0.002 4.338 4.340 -0.000 0.000 0.196 129 Q C 2.027 178.083 176.000 0.093 0.000 0.958 129 Q CA 0.612 56.439 55.803 0.040 0.000 0.841 129 Q CB 0.155 28.829 28.738 -0.106 0.000 0.915 129 Q HN 0.291 nan 8.270 nan 0.000 0.455 130 L N -0.399 120.914 121.223 0.149 0.000 1.961 130 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 130 L C 0.716 177.607 176.870 0.035 0.000 1.072 130 L CA 0.914 55.832 54.840 0.130 0.000 0.749 130 L CB -0.253 41.948 42.059 0.236 0.000 0.889 130 L HN 0.187 nan 8.230 nan 0.000 0.432 131 F N -0.593 119.425 119.950 0.113 0.000 2.733 131 F HA 0.024 4.551 4.527 -0.000 0.000 0.344 131 F C 1.291 177.146 175.800 0.091 0.000 1.179 131 F CA -0.393 57.679 58.000 0.120 0.000 1.316 131 F CB -0.898 38.168 39.000 0.109 0.000 1.577 131 F HN 0.028 nan 8.300 nan 0.000 0.591 132 Y N 0.212 120.517 120.300 0.009 0.000 2.286 132 Y HA -0.018 4.532 4.550 -0.000 0.000 0.293 132 Y C 0.428 176.314 175.900 -0.024 0.000 1.124 132 Y CA 0.433 58.474 58.100 -0.099 0.000 1.178 132 Y CB -0.475 37.792 38.460 -0.322 0.000 1.010 132 Y HN 0.135 nan 8.280 nan 0.000 0.536 133 Y N 1.319 121.598 120.300 -0.035 0.000 2.336 133 Y HA 0.325 4.875 4.550 -0.000 0.000 0.331 133 Y C 0.096 175.966 175.900 -0.051 0.000 1.211 133 Y CA -0.506 57.501 58.100 -0.155 0.000 1.346 133 Y CB 0.519 38.917 38.460 -0.103 0.000 1.271 133 Y HN -0.197 nan 8.280 nan 0.000 0.538 134 I N 1.188 121.779 120.570 0.034 0.000 2.648 134 I HA 0.731 4.901 4.170 -0.000 0.000 0.304 134 I C 0.529 176.641 176.117 -0.009 0.000 1.009 134 I CA -0.324 60.928 61.300 -0.081 0.000 1.114 134 I CB 2.013 39.882 38.000 -0.219 0.000 1.293 134 I HN 0.818 nan 8.210 nan 0.000 0.449 135 G N 2.294 111.088 108.800 -0.010 0.000 2.791 135 G HA2 0.500 4.460 3.960 -0.000 0.000 0.158 135 G HA3 0.500 4.460 3.960 -0.000 0.000 0.158 135 G C -1.375 173.541 174.900 0.028 0.000 1.193 135 G CA -0.259 44.859 45.100 0.029 0.000 1.032 135 G HN 0.420 nan 8.290 nan 0.000 0.557 136 T N 1.761 116.342 114.554 0.046 0.000 3.089 136 T HA 0.273 4.623 4.350 -0.000 0.000 0.340 136 T C 1.024 175.754 174.700 0.050 0.000 1.008 136 T CA -0.570 61.559 62.100 0.047 0.000 1.096 136 T CB 1.334 70.228 68.868 0.045 0.000 1.024 136 T HN 0.264 nan 8.240 nan 0.000 0.477 137 M N 1.659 121.287 119.600 0.047 0.000 2.213 137 M HA 0.101 4.581 4.480 -0.000 0.000 0.263 137 M C 0.498 176.828 176.300 0.049 0.000 1.062 137 M CA 1.339 56.655 55.300 0.028 0.000 1.105 137 M CB -0.726 31.908 32.600 0.056 0.000 1.385 137 M HN 0.503 nan 8.290 nan 0.000 0.417 138 L N 1.433 122.702 121.223 0.076 0.000 2.324 138 L HA 0.336 4.676 4.340 -0.000 0.000 0.274 138 L C -1.971 174.989 176.870 0.151 0.000 1.012 138 L CA -1.838 53.073 54.840 0.120 0.000 0.859 138 L CB 0.951 43.079 42.059 0.116 0.000 1.224 138 L HN -0.045 nan 8.230 nan 0.000 0.429 139 P HA 0.021 nan 4.420 nan 0.000 0.288 139 P C -0.363 176.977 177.300 0.067 0.000 1.291 139 P CA -0.243 62.910 63.100 0.089 0.000 0.766 139 P CB 1.038 32.761 31.700 0.038 0.000 1.242 140 N N -1.585 117.117 118.700 0.003 0.000 2.273 140 N HA 0.053 4.793 4.740 -0.000 0.000 0.231 140 N C -0.244 175.219 175.510 -0.078 0.000 1.134 140 N CA -0.120 52.919 53.050 -0.018 0.000 0.856 140 N CB -0.534 37.944 38.487 -0.014 0.000 1.068 140 N HN 0.398 nan 8.380 nan 0.000 0.510 141 T N -2.367 112.112 114.554 -0.124 0.000 2.918 141 T HA 0.173 4.523 4.350 -0.000 0.000 0.302 141 T C 1.522 176.076 174.700 -0.243 0.000 1.045 141 T CA -0.370 61.612 62.100 -0.197 0.000 1.114 141 T CB 1.167 69.853 68.868 -0.304 0.000 0.965 141 T HN 0.121 nan 8.240 nan 0.000 0.540 142 R N 2.148 122.491 120.500 -0.262 0.000 2.112 142 R HA -0.095 4.245 4.340 -0.000 0.000 0.242 142 R C -0.395 175.546 176.300 -0.599 0.000 1.137 142 R CA 2.083 57.913 56.100 -0.450 0.000 0.944 142 R CB -1.829 28.308 30.300 -0.272 0.000 0.857 142 R HN 0.671 nan 8.270 nan 0.000 0.435 143 P HA -0.207 nan 4.420 nan 0.000 0.213 143 P C 0.819 178.125 177.300 0.010 0.000 1.170 143 P CA 1.787 64.850 63.100 -0.061 0.000 0.902 143 P CB -0.381 31.337 31.700 0.030 0.000 0.789 144 H N -0.363 118.658 119.070 -0.082 0.000 2.321 144 H HA -0.027 4.529 4.556 -0.000 0.000 0.300 144 H C 2.352 177.649 175.328 -0.052 0.000 1.087 144 H CA 0.942 56.984 56.048 -0.010 0.000 1.319 144 H CB -0.402 29.424 29.762 0.106 0.000 1.379 144 H HN 0.137 nan 8.280 nan 0.000 0.501 145 S N 0.389 116.097 115.700 0.013 0.000 2.462 145 S HA -0.171 4.299 4.470 -0.000 0.000 0.243 145 S C 1.292 175.920 174.600 0.047 0.000 1.003 145 S CA 1.039 59.224 58.200 -0.024 0.000 0.970 145 S CB -0.244 62.883 63.200 -0.122 0.000 0.762 145 S HN 0.396 nan 8.310 nan 0.000 0.510 146 Y N -0.114 120.175 120.300 -0.019 0.000 2.448 146 Y HA 0.184 4.734 4.550 -0.000 0.000 0.289 146 Y C 2.147 177.995 175.900 -0.087 0.000 1.114 146 Y CA -0.537 57.556 58.100 -0.011 0.000 1.235 146 Y CB -0.527 37.956 38.460 0.039 0.000 1.045 146 Y HN 0.091 nan 8.280 nan 0.000 0.554 147 V N -1.861 117.911 119.914 -0.236 0.000 2.599 147 V HA 0.025 4.145 4.120 -0.000 0.000 0.237 147 V C 0.364 176.085 176.094 -0.621 0.000 1.081 147 V CA 0.397 62.217 62.300 -0.800 0.000 1.107 147 V CB -0.334 30.651 31.823 -1.396 0.000 0.808 147 V HN -0.149 nan 8.190 nan 0.000 0.486 148 F N -1.299 118.538 119.950 -0.189 0.000 2.370 148 F HA 0.492 5.019 4.527 -0.000 0.000 0.319 148 F C -0.211 175.533 175.800 -0.094 0.000 1.129 148 F CA -1.162 56.767 58.000 -0.119 0.000 1.109 148 F CB 0.101 39.060 39.000 -0.069 0.000 1.262 148 F HN -0.035 nan 8.300 nan 0.000 0.534 149 Y N 1.345 121.785 120.300 0.233 0.000 2.341 149 Y HA 0.178 4.728 4.550 -0.000 0.000 0.340 149 Y C 0.230 176.206 175.900 0.126 0.000 0.997 149 Y CA -0.726 57.456 58.100 0.137 0.000 1.149 149 Y CB 0.471 38.991 38.460 0.101 0.000 1.171 149 Y HN 0.356 nan 8.280 nan 0.000 0.494 150 Q N 3.431 123.388 119.800 0.262 0.000 2.859 150 Q HA -0.113 4.227 4.340 -0.000 0.000 0.364 150 Q C -0.825 175.272 176.000 0.162 0.000 1.067 150 Q CA 0.694 56.604 55.803 0.179 0.000 1.162 150 Q CB 0.338 29.159 28.738 0.140 0.000 1.023 150 Q HN 0.553 nan 8.270 nan 0.000 0.415 151 L N 3.263 124.566 121.223 0.132 0.000 2.354 151 L HA 0.580 4.920 4.340 -0.000 0.000 0.269 151 L C -0.793 176.127 176.870 0.083 0.000 1.005 151 L CA -0.397 54.511 54.840 0.113 0.000 0.819 151 L CB 1.888 44.027 42.059 0.132 0.000 1.311 151 L HN 0.620 nan 8.230 nan 0.000 0.423 152 R N 4.463 125.001 120.500 0.063 0.000 2.518 152 R HA 0.696 5.036 4.340 -0.000 0.000 0.296 152 R C -1.943 174.360 176.300 0.005 0.000 1.080 152 R CA -0.346 55.771 56.100 0.029 0.000 0.922 152 R CB 0.829 31.137 30.300 0.013 0.000 1.184 152 R HN 0.931 nan 8.270 nan 0.000 0.445 153 C N 0.375 119.672 119.300 -0.005 0.000 3.318 153 C HA 0.542 5.002 4.460 -0.000 0.000 0.322 153 C C -0.229 174.742 174.990 -0.032 0.000 1.398 153 C CA -1.243 57.761 59.018 -0.022 0.000 1.339 153 C CB 1.384 29.161 27.740 0.062 0.000 1.668 153 C HN 0.762 nan 8.230 nan 0.000 0.462 154 H N 1.198 120.311 119.070 0.072 0.000 3.001 154 H HA 0.433 4.989 4.556 -0.000 0.000 0.334 154 H C -0.087 175.387 175.328 0.243 0.000 1.034 154 H CA 1.025 57.152 56.048 0.131 0.000 1.420 154 H CB 0.573 30.419 29.762 0.140 0.000 1.405 154 H HN 0.613 nan 8.280 nan 0.000 0.593 155 L N 0.108 121.556 121.223 0.375 0.000 2.598 155 L HA 0.695 5.035 4.340 -0.000 0.000 0.246 155 L C -0.500 176.447 176.870 0.127 0.000 1.124 155 L CA -1.073 53.985 54.840 0.363 0.000 1.019 155 L CB 0.764 42.914 42.059 0.151 0.000 1.583 155 L HN 0.606 nan 8.230 nan 0.000 0.386 156 S N -1.251 114.431 115.700 -0.032 0.000 2.556 156 S HA 0.771 5.241 4.470 -0.000 0.000 0.280 156 S C -1.554 172.937 174.600 -0.181 0.000 1.141 156 S CA -0.632 57.425 58.200 -0.240 0.000 0.883 156 S CB 0.904 63.907 63.200 -0.328 0.000 1.103 156 S HN 1.499 nan 8.310 nan 0.000 0.453 157 Y N -0.612 119.602 120.300 -0.144 0.000 2.665 157 Y HA 0.903 5.453 4.550 -0.000 0.000 0.336 157 Y C -1.238 174.514 175.900 -0.246 0.000 1.085 157 Y CA -2.018 55.969 58.100 -0.189 0.000 1.096 157 Y CB 0.655 39.004 38.460 -0.185 0.000 1.301 157 Y HN 0.574 nan 8.280 nan 0.000 0.493 158 V N 1.521 121.463 119.914 0.047 0.000 2.357 158 V HA 0.768 4.888 4.120 -0.000 0.000 0.281 158 V C 0.126 176.145 176.094 -0.125 0.000 1.015 158 V CA -0.885 61.364 62.300 -0.085 0.000 0.827 158 V CB 0.229 31.947 31.823 -0.174 0.000 1.018 158 V HN 1.110 nan 8.190 nan 0.000 0.432 159 A N 4.943 127.720 122.820 -0.071 0.000 2.388 159 A HA 0.829 5.149 4.320 -0.000 0.000 0.257 159 A C -0.764 176.787 177.584 -0.055 0.000 1.095 159 A CA -0.132 51.815 52.037 -0.151 0.000 0.791 159 A CB 0.924 19.834 19.000 -0.150 0.000 1.029 159 A HN 0.831 nan 8.150 nan 0.000 0.489 160 L N 1.235 122.428 121.223 -0.051 0.000 2.472 160 L HA 0.718 5.058 4.340 -0.000 0.000 0.260 160 L C -0.465 176.414 176.870 0.014 0.000 0.963 160 L CA 0.212 55.077 54.840 0.041 0.000 0.829 160 L CB 2.296 44.444 42.059 0.148 0.000 1.348 160 L HN 0.670 nan 8.230 nan 0.000 0.408 161 S N 4.691 120.417 115.700 0.044 0.000 2.706 161 S HA 0.817 5.287 4.470 -0.000 0.000 0.270 161 S C -1.251 173.391 174.600 0.070 0.000 1.163 161 S CA -0.554 57.670 58.200 0.040 0.000 1.042 161 S CB 0.372 63.579 63.200 0.011 0.000 1.079 161 S HN 0.425 nan 8.310 nan 0.000 0.474 162 I N 3.091 123.730 120.570 0.115 0.000 3.067 162 I HA 0.548 4.718 4.170 -0.000 0.000 0.312 162 I C 0.739 176.900 176.117 0.073 0.000 1.073 162 I CA -0.896 60.452 61.300 0.080 0.000 1.016 162 I CB 1.111 39.130 38.000 0.032 0.000 1.227 162 I HN 0.762 nan 8.210 nan 0.000 0.456 163 N N 2.023 120.735 118.700 0.019 0.000 2.678 163 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 163 N C 0.598 176.117 175.510 0.014 0.000 1.119 163 N CA 1.400 54.451 53.050 0.001 0.000 0.718 163 N CB -1.157 37.318 38.487 -0.019 0.000 1.060 163 N HN 1.140 nan 8.380 nan 0.000 0.552 164 G N 0.386 109.198 108.800 0.021 0.000 2.392 164 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.290 164 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.290 164 G C 0.137 175.044 174.900 0.012 0.000 1.032 164 G CA 0.194 45.302 45.100 0.014 0.000 1.269 164 G HN 0.530 nan 8.290 nan 0.000 0.511 165 D N -1.406 119.004 120.400 0.016 0.000 3.070 165 D HA -0.184 4.456 4.640 -0.000 0.000 0.220 165 D C 1.612 177.917 176.300 0.009 0.000 1.176 165 D CA 1.802 55.803 54.000 0.001 0.000 0.924 165 D CB -0.352 40.439 40.800 -0.014 0.000 1.124 165 D HN 0.749 nan 8.370 nan 0.000 0.411 166 K N -0.859 119.563 120.400 0.037 0.000 2.400 166 K HA 0.091 4.411 4.320 -0.000 0.000 0.194 166 K C 0.529 177.202 176.600 0.123 0.000 1.033 166 K CA 0.290 56.605 56.287 0.047 0.000 1.021 166 K CB 0.575 33.092 32.500 0.029 0.000 0.808 166 K HN 0.172 nan 8.250 nan 0.000 0.505 167 F N 1.547 121.472 119.950 -0.041 0.000 2.615 167 F HA 0.168 4.695 4.527 -0.000 0.000 0.312 167 F C -1.966 173.834 175.800 0.001 0.000 1.119 167 F CA -0.684 57.302 58.000 -0.023 0.000 0.979 167 F CB 1.523 40.482 39.000 -0.069 0.000 1.266 167 F HN -0.122 nan 8.300 nan 0.000 0.444 168 Q N 4.925 124.320 119.800 -0.676 0.000 2.435 168 Q HA 0.439 4.779 4.340 -0.000 0.000 0.282 168 Q C -2.329 173.452 176.000 -0.366 0.000 1.020 168 Q CA -1.060 54.521 55.803 -0.369 0.000 0.820 168 Q CB 3.097 31.720 28.738 -0.192 0.000 1.436 168 Q HN 0.705 nan 8.270 nan 0.000 0.395 169 Y N 0.422 120.572 120.300 -0.249 0.000 2.499 169 Y HA 0.672 5.222 4.550 -0.000 0.000 0.347 169 Y C -1.497 174.324 175.900 -0.130 0.000 0.987 169 Y CA -0.588 57.428 58.100 -0.139 0.000 1.044 169 Y CB 2.781 41.275 38.460 0.056 0.000 1.245 169 Y HN 0.755 nan 8.280 nan 0.000 0.461 170 T N 3.881 117.901 114.554 -0.891 0.000 2.890 170 T HA 0.396 4.746 4.350 -0.000 0.000 0.295 170 T C -0.122 174.028 174.700 -0.917 0.000 0.993 170 T CA -0.421 61.223 62.100 -0.761 0.000 0.979 170 T CB 1.070 69.680 68.868 -0.429 0.000 0.967 170 T HN 0.945 nan 8.240 nan 0.000 0.441 171 G N 2.236 110.614 108.800 -0.703 0.000 3.506 171 G HA2 0.502 4.462 3.960 -0.000 0.000 0.268 171 G HA3 0.502 4.462 3.960 -0.000 0.000 0.268 171 G C 0.425 175.247 174.900 -0.129 0.000 0.959 171 G CA -0.571 44.311 45.100 -0.363 0.000 1.823 171 G HN 0.979 nan 8.290 nan 0.000 0.615 172 A N 2.799 125.549 122.820 -0.117 0.000 2.454 172 A HA 0.665 4.985 4.320 -0.000 0.000 0.260 172 A C 0.354 177.884 177.584 -0.091 0.000 1.106 172 A CA -0.072 51.940 52.037 -0.043 0.000 0.780 172 A CB -0.022 18.948 19.000 -0.050 0.000 1.044 172 A HN 0.976 nan 8.150 nan 0.000 0.498 173 M N 1.812 121.375 119.600 -0.061 0.000 2.470 173 M HA 0.695 5.175 4.480 -0.000 0.000 0.285 173 M C -0.698 175.653 176.300 0.084 0.000 1.213 173 M CA -0.437 54.812 55.300 -0.085 0.000 0.901 173 M CB 1.934 34.583 32.600 0.082 0.000 1.718 173 M HN 0.496 nan 8.290 nan 0.000 0.469 174 T N -0.468 114.077 114.554 -0.015 0.000 2.807 174 T HA 0.487 4.837 4.350 -0.000 0.000 0.277 174 T C 0.962 175.777 174.700 0.192 0.000 1.006 174 T CA 0.107 62.291 62.100 0.140 0.000 1.006 174 T CB 1.484 70.239 68.868 -0.188 0.000 1.274 174 T HN 0.934 nan 8.240 nan 0.000 0.569 175 S N 0.236 115.734 115.700 -0.338 0.000 2.547 175 S HA 0.070 4.540 4.470 -0.000 0.000 0.235 175 S C 1.279 175.977 174.600 0.163 0.000 0.980 175 S CA 0.698 58.682 58.200 -0.360 0.000 0.941 175 S CB -0.270 62.548 63.200 -0.637 0.000 0.763 175 S HN 0.680 nan 8.310 nan 0.000 0.532 176 K N -0.251 120.325 120.400 0.293 0.000 2.424 176 K HA 0.324 4.644 4.320 -0.000 0.000 0.198 176 K C -0.184 176.789 176.600 0.621 0.000 1.190 176 K CA 0.187 56.764 56.287 0.482 0.000 0.935 176 K CB 0.779 33.489 32.500 0.351 0.000 1.087 176 K HN 0.589 nan 8.250 nan 0.000 0.524 177 F N -0.416 119.667 119.950 0.221 0.000 2.654 177 F HA 0.549 5.076 4.527 -0.000 0.000 0.308 177 F C -1.588 173.902 175.800 -0.516 0.000 1.108 177 F CA -1.694 56.190 58.000 -0.193 0.000 0.957 177 F CB 0.930 39.850 39.000 -0.133 0.000 1.309 177 F HN -0.295 nan 8.300 nan 0.000 0.446 178 L N 4.138 124.885 121.223 -0.793 0.000 2.331 178 L HA 0.750 5.090 4.340 -0.000 0.000 0.275 178 L C -1.138 175.725 176.870 -0.013 0.000 1.022 178 L CA -0.706 53.809 54.840 -0.542 0.000 0.812 178 L CB 1.876 43.556 42.059 -0.632 0.000 1.257 178 L HN 0.922 nan 8.230 nan 0.000 0.435 179 M N 4.573 124.181 119.600 0.014 0.000 2.167 179 M HA 0.385 4.865 4.480 -0.000 0.000 0.218 179 M C -0.684 175.658 176.300 0.069 0.000 0.968 179 M CA -0.239 55.127 55.300 0.109 0.000 1.004 179 M CB 0.634 33.294 32.600 0.100 0.000 2.485 179 M HN 0.839 nan 8.290 nan 0.000 0.404 180 G N 2.196 111.104 108.800 0.181 0.000 2.444 180 G HA2 0.575 4.535 3.960 -0.000 0.000 0.268 180 G HA3 0.575 4.535 3.960 -0.000 0.000 0.268 180 G C -0.253 174.632 174.900 -0.024 0.000 1.203 180 G CA -0.091 45.081 45.100 0.120 0.000 0.835 180 G HN 0.631 nan 8.290 nan 0.000 0.543 181 T N -1.094 113.395 114.554 -0.107 0.000 2.861 181 T HA 0.586 4.936 4.350 -0.000 0.000 0.287 181 T C -1.105 173.519 174.700 -0.126 0.000 1.003 181 T CA -0.764 61.264 62.100 -0.119 0.000 0.977 181 T CB 1.401 70.272 68.868 0.004 0.000 0.996 181 T HN 0.323 nan 8.240 nan 0.000 0.448 182 Y N 1.281 121.569 120.300 -0.020 0.000 2.387 182 Y HA 0.703 5.253 4.550 -0.000 0.000 0.330 182 Y C 0.550 176.433 175.900 -0.028 0.000 1.133 182 Y CA -1.277 56.761 58.100 -0.103 0.000 1.152 182 Y CB 1.754 40.033 38.460 -0.302 0.000 1.215 182 Y HN 0.752 nan 8.280 nan 0.000 0.466 183 K N 3.541 123.946 120.400 0.008 0.000 2.652 183 K HA 0.416 4.736 4.320 -0.000 0.000 0.249 183 K C -1.236 175.303 176.600 -0.102 0.000 0.986 183 K CA -0.667 55.614 56.287 -0.010 0.000 0.867 183 K CB 1.369 33.798 32.500 -0.118 0.000 1.201 183 K HN 0.778 nan 8.250 nan 0.000 0.450 184 R N 2.817 123.375 120.500 0.096 0.000 2.873 184 R HA 0.679 5.019 4.340 -0.000 0.000 0.264 184 R C -1.449 174.887 176.300 0.060 0.000 1.026 184 R CA -0.704 55.479 56.100 0.139 0.000 1.002 184 R CB 1.950 32.344 30.300 0.158 0.000 1.174 184 R HN 0.337 nan 8.270 nan 0.000 0.488 185 V N 1.885 121.832 119.914 0.055 0.000 2.612 185 V HA 0.238 4.358 4.120 -0.000 0.000 0.301 185 V C -0.048 176.058 176.094 0.020 0.000 1.059 185 V CA -0.839 61.470 62.300 0.016 0.000 0.886 185 V CB 1.885 33.704 31.823 -0.007 0.000 1.007 185 V HN 0.910 nan 8.190 nan 0.000 0.426 186 T N 2.436 117.008 114.554 0.029 0.000 2.698 186 T HA 0.117 4.467 4.350 -0.000 0.000 0.295 186 T C 1.316 176.018 174.700 0.003 0.000 1.007 186 T CA -0.503 61.613 62.100 0.028 0.000 0.980 186 T CB 0.641 69.542 68.868 0.056 0.000 1.036 186 T HN 0.733 nan 8.240 nan 0.000 0.526 187 E N 0.295 120.495 120.200 -0.000 0.000 2.171 187 E HA -0.094 4.256 4.350 -0.000 0.000 0.197 187 E C 0.854 177.449 176.600 -0.008 0.000 0.997 187 E CA 1.227 57.623 56.400 -0.007 0.000 0.810 187 E CB -0.108 29.588 29.700 -0.006 0.000 0.738 187 E HN 0.488 nan 8.360 nan 0.000 0.467 188 K N -0.403 119.994 120.400 -0.006 0.000 2.179 188 K HA 0.317 4.637 4.320 -0.000 0.000 0.238 188 K C 1.162 177.749 176.600 -0.021 0.000 1.033 188 K CA 0.238 56.518 56.287 -0.011 0.000 0.926 188 K CB 0.792 33.288 32.500 -0.007 0.000 1.151 188 K HN 0.015 nan 8.250 nan 0.000 0.492 189 G N 1.052 109.837 108.800 -0.025 0.000 3.028 189 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.205 189 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.205 189 G C -0.349 174.518 174.900 -0.056 0.000 1.182 189 G CA 0.089 45.167 45.100 -0.035 0.000 0.860 189 G HN 0.537 nan 8.290 nan 0.000 0.507 190 D N 0.606 120.966 120.400 -0.067 0.000 2.450 190 D HA 0.160 4.800 4.640 -0.000 0.000 0.247 190 D C 0.139 176.326 176.300 -0.188 0.000 1.162 190 D CA 0.523 54.439 54.000 -0.140 0.000 0.879 190 D CB 1.006 41.730 40.800 -0.127 0.000 1.163 190 D HN 0.365 nan 8.370 nan 0.000 0.472 191 E N 2.516 122.576 120.200 -0.233 0.000 2.186 191 E HA 0.137 4.487 4.350 -0.000 0.000 0.255 191 E C -0.882 175.575 176.600 -0.239 0.000 0.881 191 E CA -0.728 55.562 56.400 -0.182 0.000 0.752 191 E CB 0.485 30.120 29.700 -0.108 0.000 1.176 191 E HN 0.402 nan 8.360 nan 0.000 0.421 192 H N 2.679 121.727 119.070 -0.036 0.000 2.467 192 H HA 0.378 4.934 4.556 -0.000 0.000 0.326 192 H C -0.300 174.950 175.328 -0.130 0.000 1.094 192 H CA -0.539 55.420 56.048 -0.148 0.000 1.253 192 H CB 1.511 31.241 29.762 -0.052 0.000 1.439 192 H HN 0.336 nan 8.280 nan 0.000 0.479 193 V N 2.098 121.817 119.914 -0.325 0.000 2.789 193 V HA 0.654 4.774 4.120 -0.000 0.000 0.311 193 V C -0.984 175.146 176.094 0.059 0.000 1.073 193 V CA -0.996 61.303 62.300 -0.003 0.000 0.921 193 V CB 2.189 33.903 31.823 -0.182 0.000 1.009 193 V HN 0.462 nan 8.190 nan 0.000 0.426 194 L N 3.412 124.625 121.223 -0.018 0.000 2.526 194 L HA 0.953 5.293 4.340 -0.000 0.000 0.263 194 L C -0.428 176.389 176.870 -0.088 0.000 0.943 194 L CA 0.114 54.893 54.840 -0.101 0.000 0.859 194 L CB 2.168 43.962 42.059 -0.440 0.000 1.313 194 L HN 1.181 nan 8.230 nan 0.000 0.406 195 S N 4.221 119.929 115.700 0.013 0.000 2.599 195 S HA 0.887 5.357 4.470 -0.000 0.000 0.294 195 S C -0.910 173.659 174.600 -0.052 0.000 1.094 195 S CA -0.914 57.263 58.200 -0.040 0.000 0.931 195 S CB 1.772 65.027 63.200 0.091 0.000 1.093 195 S HN 0.715 nan 8.310 nan 0.000 0.488 196 L N 1.537 122.669 121.223 -0.152 0.000 2.346 196 L HA 0.694 5.034 4.340 -0.000 0.000 0.276 196 L C -1.251 175.628 176.870 0.016 0.000 1.006 196 L CA -1.085 53.651 54.840 -0.174 0.000 0.817 196 L CB 2.076 43.736 42.059 -0.664 0.000 1.272 196 L HN 0.546 nan 8.230 nan 0.000 0.421 197 V N 2.578 122.572 119.914 0.133 0.000 2.407 197 V HA 0.427 4.547 4.120 -0.000 0.000 0.291 197 V C -0.742 175.557 176.094 0.342 0.000 1.018 197 V CA -0.557 61.877 62.300 0.222 0.000 0.842 197 V CB 1.626 33.534 31.823 0.141 0.000 0.996 197 V HN 0.462 nan 8.190 nan 0.000 0.426 198 F N 3.186 123.280 119.950 0.239 0.000 2.522 198 F HA 0.981 5.508 4.527 -0.000 0.000 0.324 198 F C 0.383 176.282 175.800 0.164 0.000 1.077 198 F CA 0.336 58.496 58.000 0.266 0.000 0.944 198 F CB 2.097 41.305 39.000 0.347 0.000 1.175 198 F HN 0.859 nan 8.300 nan 0.000 0.468 199 G N 3.568 111.940 108.800 -0.714 0.000 2.361 199 G HA2 0.121 4.081 3.960 -0.000 0.000 0.305 199 G HA3 0.121 4.081 3.960 -0.000 0.000 0.305 199 G C -1.890 172.919 174.900 -0.152 0.000 1.367 199 G CA -1.331 43.570 45.100 -0.332 0.000 0.951 199 G HN 0.656 nan 8.290 nan 0.000 0.615 200 K N 0.909 121.213 120.400 -0.160 0.000 2.447 200 K HA 0.229 4.549 4.320 -0.000 0.000 0.281 200 K C 1.633 178.092 176.600 -0.236 0.000 1.031 200 K CA 0.543 56.594 56.287 -0.394 0.000 1.019 200 K CB 0.630 32.932 32.500 -0.331 0.000 0.918 200 K HN 0.525 nan 8.250 nan 0.000 0.476 201 T N 2.803 117.221 114.554 -0.226 0.000 2.714 201 T HA -0.264 4.086 4.350 -0.000 0.000 0.268 201 T C 1.627 176.208 174.700 -0.199 0.000 1.036 201 T CA 2.081 64.058 62.100 -0.204 0.000 1.148 201 T CB -0.180 68.606 68.868 -0.138 0.000 0.856 201 T HN 0.656 nan 8.240 nan 0.000 0.462 202 K N 1.160 121.468 120.400 -0.153 0.000 2.365 202 K HA -0.020 4.300 4.320 -0.000 0.000 0.199 202 K C 1.268 177.813 176.600 -0.090 0.000 1.045 202 K CA 1.374 57.599 56.287 -0.103 0.000 0.962 202 K CB 0.136 32.588 32.500 -0.080 0.000 0.759 202 K HN 0.173 nan 8.250 nan 0.000 0.469 203 D N 0.415 120.751 120.400 -0.105 0.000 2.349 203 D HA 0.069 4.709 4.640 -0.000 0.000 0.214 203 D C -0.185 175.984 176.300 -0.218 0.000 1.063 203 D CA -0.095 53.863 54.000 -0.070 0.000 0.847 203 D CB 0.150 40.984 40.800 0.057 0.000 0.933 203 D HN 0.078 nan 8.370 nan 0.000 0.513 204 L N 2.121 123.146 121.223 -0.328 0.000 2.514 204 L HA 0.075 4.415 4.340 -0.000 0.000 0.280 204 L C -1.656 175.021 176.870 -0.322 0.000 1.223 204 L CA -0.611 53.922 54.840 -0.511 0.000 0.864 204 L CB -0.590 40.980 42.059 -0.814 0.000 1.118 204 L HN -0.174 nan 8.230 nan 0.000 0.494 205 P HA -0.032 nan 4.420 nan 0.000 0.272 205 P C -1.097 176.304 177.300 0.167 0.000 1.239 205 P CA -0.070 62.897 63.100 -0.221 0.000 0.807 205 P CB 0.351 31.762 31.700 -0.480 0.000 0.951 206 D N 0.509 121.031 120.400 0.202 0.000 2.249 206 D HA 0.198 4.837 4.640 -0.000 0.000 0.246 206 D C 0.099 176.615 176.300 0.361 0.000 1.114 206 D CA -0.096 54.069 54.000 0.275 0.000 0.854 206 D CB 0.541 41.479 40.800 0.230 0.000 1.132 206 D HN 0.183 nan 8.370 nan 0.000 0.461 207 L N 2.173 123.512 121.223 0.193 0.000 2.371 207 L HA 0.286 4.626 4.340 -0.000 0.000 0.272 207 L C 1.863 178.796 176.870 0.104 0.000 1.124 207 L CA -0.421 54.432 54.840 0.022 0.000 0.816 207 L CB 1.266 43.224 42.059 -0.169 0.000 1.129 207 L HN 0.315 nan 8.230 nan 0.000 0.448 208 R N 1.975 122.405 120.500 -0.116 0.000 1.967 208 R HA 0.149 4.489 4.340 -0.000 0.000 0.184 208 R C 1.065 177.317 176.300 -0.081 0.000 1.350 208 R CA 0.579 56.449 56.100 -0.384 0.000 1.232 208 R CB -0.527 29.379 30.300 -0.656 0.000 0.813 208 R HN 0.796 nan 8.270 nan 0.000 0.512 209 G N 0.514 109.295 108.800 -0.031 0.000 2.443 209 G HA2 0.015 3.975 3.960 -0.000 0.000 0.286 209 G HA3 0.015 3.975 3.960 -0.000 0.000 0.286 209 G C -2.043 172.681 174.900 -0.293 0.000 1.393 209 G CA -0.772 44.229 45.100 -0.164 0.000 1.080 209 G HN 0.357 nan 8.290 nan 0.000 0.566 210 P HA 0.198 nan 4.420 nan 0.000 0.238 210 P C -1.085 175.741 177.300 -0.790 0.000 1.679 210 P CA 0.422 63.165 63.100 -0.594 0.000 1.080 210 P CB -0.474 30.826 31.700 -0.666 0.000 1.961 211 F N 0.495 120.322 119.950 -0.205 0.000 2.520 211 F HA 0.461 4.988 4.527 -0.000 0.000 0.322 211 F C 0.450 176.137 175.800 -0.188 0.000 1.103 211 F CA -0.681 57.209 58.000 -0.184 0.000 0.926 211 F CB 1.756 40.616 39.000 -0.234 0.000 1.154 211 F HN -0.110 nan 8.300 nan 0.000 0.453 212 S N 1.803 117.542 115.700 0.065 0.000 2.647 212 S HA 0.341 4.811 4.470 -0.000 0.000 0.300 212 S C 0.264 174.883 174.600 0.030 0.000 1.129 212 S CA -0.723 57.486 58.200 0.015 0.000 1.029 212 S CB 0.535 63.746 63.200 0.019 0.000 1.007 212 S HN 0.646 nan 8.310 nan 0.000 0.484 213 Y N 2.736 123.063 120.300 0.045 0.000 2.173 213 Y HA -0.165 4.385 4.550 -0.000 0.000 0.282 213 Y C -0.225 175.679 175.900 0.006 0.000 1.192 213 Y CA 2.290 60.404 58.100 0.023 0.000 1.176 213 Y CB -1.251 37.222 38.460 0.021 0.000 0.969 213 Y HN 0.568 nan 8.280 nan 0.000 0.519 214 P HA -0.191 nan 4.420 nan 0.000 0.216 214 P C 1.225 178.554 177.300 0.047 0.000 1.153 214 P CA 2.344 65.494 63.100 0.084 0.000 0.858 214 P CB -0.252 31.484 31.700 0.059 0.000 0.789 215 S N -1.670 114.057 115.700 0.045 0.000 2.786 215 S HA 0.139 4.609 4.470 -0.000 0.000 0.223 215 S C 1.473 176.056 174.600 -0.029 0.000 0.956 215 S CA 0.144 58.350 58.200 0.011 0.000 0.961 215 S CB -0.986 62.247 63.200 0.055 0.000 0.784 215 S HN 0.140 nan 8.310 nan 0.000 0.519 216 L N -0.318 120.908 121.223 0.005 0.000 3.284 216 L HA 0.222 4.561 4.340 -0.000 0.000 0.294 216 L C -0.074 176.821 176.870 0.042 0.000 1.183 216 L CA 0.011 54.846 54.840 -0.009 0.000 1.056 216 L CB 0.515 42.573 42.059 -0.000 0.000 1.513 216 L HN 0.139 nan 8.230 nan 0.000 0.601 217 T N -0.849 113.738 114.554 0.056 0.000 2.869 217 T HA 0.120 4.470 4.350 -0.000 0.000 0.295 217 T C 0.948 175.629 174.700 -0.032 0.000 0.987 217 T CA 0.207 62.322 62.100 0.025 0.000 1.109 217 T CB 2.386 71.262 68.868 0.014 0.000 0.932 217 T HN -0.067 nan 8.240 nan 0.000 0.518 218 S N 1.269 116.935 115.700 -0.056 0.000 2.502 218 S HA 0.499 4.969 4.470 -0.000 0.000 0.228 218 S C 0.544 175.055 174.600 -0.148 0.000 1.061 218 S CA 0.061 58.220 58.200 -0.069 0.000 0.935 218 S CB 0.192 63.380 63.200 -0.022 0.000 0.809 218 S HN 0.894 nan 8.310 nan 0.000 0.510 219 A N 0.864 123.492 122.820 -0.319 0.000 2.422 219 A HA 0.763 5.083 4.320 -0.000 0.000 0.302 219 A C -0.958 176.230 177.584 -0.660 0.000 1.041 219 A CA -0.478 51.224 52.037 -0.559 0.000 0.708 219 A CB 1.524 19.951 19.000 -0.954 0.000 1.257 219 A HN 0.352 nan 8.150 nan 0.000 0.414 220 Q N 1.377 121.002 119.800 -0.291 0.000 2.331 220 Q HA 0.668 5.008 4.340 -0.000 0.000 0.272 220 Q C -0.766 175.353 176.000 0.199 0.000 1.062 220 Q CA -0.402 55.383 55.803 -0.031 0.000 0.806 220 Q CB 2.080 30.812 28.738 -0.009 0.000 1.312 220 Q HN 0.791 nan 8.270 nan 0.000 0.431 221 S N 0.682 116.601 115.700 0.364 0.000 2.667 221 S HA 0.467 4.937 4.470 -0.000 0.000 0.292 221 S C 0.894 175.605 174.600 0.186 0.000 1.108 221 S CA -0.111 58.288 58.200 0.332 0.000 0.992 221 S CB 0.777 64.242 63.200 0.441 0.000 1.269 221 S HN 0.844 nan 8.310 nan 0.000 0.528 222 G N 0.143 109.031 108.800 0.146 0.000 2.509 222 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.218 222 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.218 222 G C -0.098 174.817 174.900 0.025 0.000 1.124 222 G CA 0.987 46.132 45.100 0.074 0.000 0.776 222 G HN 0.751 nan 8.290 nan 0.000 0.547 223 D N -3.006 117.401 120.400 0.011 0.000 2.619 223 D HA 0.141 4.781 4.640 -0.000 0.000 0.300 223 D C -0.655 175.475 176.300 -0.283 0.000 1.502 223 D CA -0.620 53.293 54.000 -0.144 0.000 0.865 223 D CB -0.331 40.333 40.800 -0.227 0.000 1.343 223 D HN 0.223 nan 8.370 nan 0.000 0.447 224 Y N 0.639 120.990 120.300 0.085 0.000 2.446 224 Y HA 0.736 5.286 4.550 -0.000 0.000 0.345 224 Y C -0.006 176.056 175.900 0.271 0.000 0.984 224 Y CA -0.812 57.358 58.100 0.117 0.000 1.058 224 Y CB 2.545 41.087 38.460 0.137 0.000 1.220 224 Y HN -0.202 nan 8.280 nan 0.000 0.455 225 S N 2.223 118.135 115.700 0.354 0.000 2.595 225 S HA 0.665 5.135 4.470 -0.000 0.000 0.281 225 S C -2.053 172.696 174.600 0.248 0.000 1.117 225 S CA -0.679 57.616 58.200 0.157 0.000 0.873 225 S CB 2.160 65.336 63.200 -0.040 0.000 1.108 225 S HN 0.439 nan 8.310 nan 0.000 0.477 226 L N 2.668 123.911 121.223 0.034 0.000 2.427 226 L HA 0.593 4.933 4.340 -0.000 0.000 0.264 226 L C -1.314 175.598 176.870 0.071 0.000 0.989 226 L CA -0.332 54.609 54.840 0.168 0.000 0.865 226 L CB 0.998 43.109 42.059 0.087 0.000 1.209 226 L HN 0.485 nan 8.230 nan 0.000 0.430 227 V N 5.434 125.421 119.914 0.121 0.000 2.644 227 V HA 0.464 4.584 4.120 -0.000 0.000 0.295 227 V C 0.276 176.438 176.094 0.114 0.000 1.053 227 V CA -0.424 61.954 62.300 0.130 0.000 0.987 227 V CB 1.744 33.707 31.823 0.233 0.000 1.006 227 V HN 0.528 nan 8.190 nan 0.000 0.472 228 I N 3.923 124.552 120.570 0.099 0.000 2.405 228 I HA 0.328 4.498 4.170 -0.000 0.000 0.280 228 I C -0.681 175.490 176.117 0.089 0.000 1.027 228 I CA -0.496 60.868 61.300 0.107 0.000 1.161 228 I CB 1.486 39.586 38.000 0.167 0.000 1.300 228 I HN 0.274 nan 8.210 nan 0.000 0.463 229 V N 5.076 125.041 119.914 0.085 0.000 2.348 229 V HA 0.618 4.738 4.120 -0.000 0.000 0.270 229 V C 0.168 176.319 176.094 0.095 0.000 1.037 229 V CA -0.026 62.297 62.300 0.037 0.000 0.872 229 V CB 1.082 32.941 31.823 0.059 0.000 1.002 229 V HN 0.840 nan 8.190 nan 0.000 0.464 230 T N 2.708 117.307 114.554 0.075 0.000 2.717 230 T HA 0.412 4.762 4.350 -0.000 0.000 0.315 230 T C -0.429 174.335 174.700 0.105 0.000 1.746 230 T CA 0.131 62.322 62.100 0.151 0.000 1.001 230 T CB 1.845 70.822 68.868 0.183 0.000 1.673 230 T HN 0.894 nan 8.240 nan 0.000 0.498 231 T N 0.557 115.239 114.554 0.214 0.000 2.918 231 T HA 0.565 4.915 4.350 -0.000 0.000 0.283 231 T C 1.045 175.803 174.700 0.097 0.000 1.001 231 T CA -0.473 61.686 62.100 0.099 0.000 1.041 231 T CB 0.615 69.552 68.868 0.115 0.000 1.028 231 T HN 0.401 nan 8.240 nan 0.000 0.511 232 F N 1.026 121.068 119.950 0.153 0.000 2.171 232 F HA -0.031 4.496 4.527 -0.000 0.000 0.300 232 F C 2.672 178.545 175.800 0.122 0.000 1.090 232 F CA 1.036 59.134 58.000 0.163 0.000 1.293 232 F CB -1.022 38.041 39.000 0.105 0.000 1.013 232 F HN 0.423 nan 8.300 nan 0.000 0.486 233 V N -0.472 119.572 119.914 0.216 0.000 2.332 233 V HA -0.329 3.791 4.120 -0.000 0.000 0.248 233 V C 2.411 178.559 176.094 0.090 0.000 1.055 233 V CA 2.147 64.494 62.300 0.079 0.000 1.038 233 V CB -0.871 30.912 31.823 -0.067 0.000 0.651 233 V HN 0.365 nan 8.190 nan 0.000 0.450 234 H N -1.471 117.755 119.070 0.260 0.000 2.333 234 H HA -0.092 4.464 4.556 -0.000 0.000 0.302 234 H C 2.189 177.658 175.328 0.234 0.000 1.075 234 H CA 1.788 58.002 56.048 0.277 0.000 1.348 234 H CB -0.671 29.324 29.762 0.388 0.000 1.393 234 H HN 0.503 nan 8.280 nan 0.000 0.509 235 Y N 1.790 122.218 120.300 0.214 0.000 2.283 235 Y HA -0.282 4.268 4.550 -0.000 0.000 0.285 235 Y C 2.516 178.450 175.900 0.056 0.000 1.176 235 Y CA 1.218 59.338 58.100 0.034 0.000 1.229 235 Y CB -0.358 37.915 38.460 -0.312 0.000 0.975 235 Y HN 0.201 nan 8.280 nan 0.000 0.537 236 A N 0.175 123.033 122.820 0.063 0.000 1.841 236 A HA -0.244 4.076 4.320 -0.000 0.000 0.214 236 A C 2.144 179.653 177.584 -0.126 0.000 1.195 236 A CA 1.774 53.789 52.037 -0.036 0.000 0.611 236 A CB -1.152 17.862 19.000 0.023 0.000 0.835 236 A HN 0.583 nan 8.150 nan 0.000 0.443 237 N N -1.650 116.929 118.700 -0.202 0.000 2.348 237 N HA -0.131 4.609 4.740 -0.000 0.000 0.185 237 N C 1.165 176.445 175.510 -0.383 0.000 1.019 237 N CA 1.525 54.371 53.050 -0.339 0.000 0.880 237 N CB -0.307 37.700 38.487 -0.800 0.000 0.965 237 N HN 0.391 nan 8.380 nan 0.000 0.437 238 F N -0.628 119.106 119.950 -0.359 0.000 2.317 238 F HA 0.105 4.632 4.527 -0.000 0.000 0.293 238 F C 2.356 177.740 175.800 -0.693 0.000 1.085 238 F CA 0.694 58.328 58.000 -0.610 0.000 1.390 238 F CB -0.558 38.249 39.000 -0.320 0.000 1.077 238 F HN 0.267 nan 8.300 nan 0.000 0.517 239 H N 0.394 119.182 119.070 -0.470 0.000 2.543 239 H HA -0.087 4.469 4.556 -0.000 0.000 0.286 239 H C 1.395 176.545 175.328 -0.297 0.000 1.037 239 H CA 0.851 56.610 56.048 -0.483 0.000 1.250 239 H CB -0.065 29.336 29.762 -0.602 0.000 1.373 239 H HN 0.211 nan 8.280 nan 0.000 0.580 240 N N 0.252 118.843 118.700 -0.183 0.000 2.354 240 N HA -0.130 4.610 4.740 -0.000 0.000 0.179 240 N C 0.770 176.277 175.510 -0.005 0.000 1.021 240 N CA 1.202 54.224 53.050 -0.047 0.000 0.887 240 N CB 0.074 38.580 38.487 0.032 0.000 0.974 240 N HN 0.652 nan 8.380 nan 0.000 0.437 241 Y N -3.740 116.534 120.300 -0.044 0.000 2.666 241 Y HA 0.426 4.976 4.550 -0.000 0.000 0.260 241 Y C -0.589 175.340 175.900 0.049 0.000 1.089 241 Y CA -1.031 57.048 58.100 -0.034 0.000 1.246 241 Y CB -0.219 38.201 38.460 -0.067 0.000 1.353 241 Y HN -0.205 nan 8.280 nan 0.000 0.558 242 F N 2.211 121.900 119.950 -0.435 0.000 2.646 242 F HA 0.685 5.212 4.527 -0.000 0.000 0.364 242 F C -1.489 174.094 175.800 -0.362 0.000 1.137 242 F CA -2.031 55.774 58.000 -0.325 0.000 1.085 242 F CB 1.511 40.306 39.000 -0.342 0.000 1.331 242 F HN -0.170 nan 8.300 nan 0.000 0.472 243 V N 7.623 127.164 119.914 -0.622 0.000 2.260 243 V HA 0.292 4.412 4.120 -0.000 0.000 0.263 243 V C -1.998 173.767 176.094 -0.549 0.000 1.036 243 V CA -1.244 60.683 62.300 -0.621 0.000 0.874 243 V CB 0.349 31.898 31.823 -0.457 0.000 1.116 243 V HN 0.548 nan 8.190 nan 0.000 0.454 244 P HA 0.066 nan 4.420 nan 0.000 0.269 244 P C -0.101 177.085 177.300 -0.190 0.000 1.209 244 P CA -0.086 62.719 63.100 -0.490 0.000 0.776 244 P CB 0.926 32.264 31.700 -0.603 0.000 0.876 245 N N 2.564 121.229 118.700 -0.057 0.000 3.303 245 N HA 0.043 4.783 4.740 -0.000 0.000 0.304 245 N C 1.395 176.945 175.510 0.066 0.000 1.302 245 N CA -0.116 52.941 53.050 0.011 0.000 1.213 245 N CB -0.622 37.889 38.487 0.041 0.000 1.481 245 N HN 0.351 nan 8.380 nan 0.000 0.546 246 L N 0.622 121.877 121.223 0.054 0.000 2.151 246 L HA -0.341 3.999 4.340 -0.000 0.000 0.219 246 L C 2.253 179.222 176.870 0.165 0.000 1.083 246 L CA 1.611 56.516 54.840 0.109 0.000 0.782 246 L CB -0.374 41.722 42.059 0.062 0.000 0.891 246 L HN 0.360 nan 8.230 nan 0.000 0.439 247 K N 0.061 120.536 120.400 0.124 0.000 1.971 247 K HA -0.202 4.118 4.320 -0.000 0.000 0.221 247 K C 1.787 178.499 176.600 0.186 0.000 1.050 247 K CA 2.037 58.413 56.287 0.148 0.000 0.967 247 K CB -0.435 32.125 32.500 0.099 0.000 0.733 247 K HN 0.266 nan 8.250 nan 0.000 0.445 248 D N 0.638 121.117 120.400 0.132 0.000 2.117 248 D HA -0.172 4.468 4.640 -0.000 0.000 0.197 248 D C 1.801 178.178 176.300 0.128 0.000 0.987 248 D CA 1.075 55.140 54.000 0.108 0.000 0.829 248 D CB -0.232 40.617 40.800 0.081 0.000 0.961 248 D HN 0.190 nan 8.370 nan 0.000 0.460 249 M N -0.681 119.026 119.600 0.178 0.000 2.202 249 M HA -0.190 4.290 4.480 -0.000 0.000 0.262 249 M C 1.825 178.260 176.300 0.226 0.000 1.063 249 M CA 1.261 56.699 55.300 0.228 0.000 1.097 249 M CB -0.005 32.760 32.600 0.275 0.000 1.382 249 M HN 0.011 nan 8.290 nan 0.000 0.413 250 F N 0.111 120.115 119.950 0.090 0.000 2.118 250 F HA -0.054 4.473 4.527 -0.000 0.000 0.293 250 F C 2.268 178.080 175.800 0.019 0.000 1.102 250 F CA 1.742 59.785 58.000 0.072 0.000 1.247 250 F CB -0.737 38.346 39.000 0.140 0.000 1.017 250 F HN 0.097 nan 8.300 nan 0.000 0.475 251 S N 0.790 116.507 115.700 0.027 0.000 2.369 251 S HA -0.292 4.178 4.470 -0.000 0.000 0.225 251 S C 2.137 176.625 174.600 -0.187 0.000 1.043 251 S CA 1.751 59.892 58.200 -0.098 0.000 1.074 251 S CB -0.629 62.592 63.200 0.034 0.000 0.962 251 S HN 0.350 nan 8.310 nan 0.000 0.433 252 R N 0.916 121.346 120.500 -0.116 0.000 2.139 252 R HA -0.087 4.253 4.340 -0.000 0.000 0.243 252 R C 2.099 178.278 176.300 -0.201 0.000 1.145 252 R CA 1.230 57.256 56.100 -0.124 0.000 0.976 252 R CB -0.360 29.856 30.300 -0.141 0.000 0.866 252 R HN 0.425 nan 8.270 nan 0.000 0.449 253 A N -0.628 121.970 122.820 -0.369 0.000 2.206 253 A HA 0.049 4.369 4.320 -0.000 0.000 0.211 253 A C 1.617 178.759 177.584 -0.737 0.000 1.158 253 A CA 0.582 52.117 52.037 -0.837 0.000 0.761 253 A CB 0.363 18.801 19.000 -0.937 0.000 0.801 253 A HN 0.181 nan 8.150 nan 0.000 0.473 254 V N -0.942 118.645 119.914 -0.546 0.000 2.840 254 V HA 0.008 4.128 4.120 -0.000 0.000 0.234 254 V C 1.373 177.299 176.094 -0.280 0.000 1.159 254 V CA 1.420 63.431 62.300 -0.482 0.000 1.194 254 V CB -0.329 31.145 31.823 -0.581 0.000 0.971 254 V HN 0.558 nan 8.190 nan 0.000 0.494 255 T N 0.427 114.861 114.554 -0.201 0.000 3.414 255 T HA 0.644 4.994 4.350 -0.000 0.000 0.304 255 T C -0.579 174.075 174.700 -0.076 0.000 1.241 255 T CA 0.129 62.171 62.100 -0.097 0.000 1.076 255 T CB -0.106 68.728 68.868 -0.056 0.000 1.134 255 T HN 0.292 nan 8.240 nan 0.000 0.759 256 M N 2.710 122.273 119.600 -0.061 0.000 2.394 256 M HA 0.198 4.678 4.480 -0.000 0.000 0.246 256 M C -0.256 176.066 176.300 0.036 0.000 0.967 256 M CA -0.301 54.997 55.300 -0.004 0.000 0.835 256 M CB 1.786 34.395 32.600 0.015 0.000 2.169 256 M HN 0.572 nan 8.290 nan 0.000 0.479 257 T N 2.598 117.209 114.554 0.095 0.000 2.937 257 T HA 0.348 4.698 4.350 -0.000 0.000 0.316 257 T C 1.220 176.023 174.700 0.173 0.000 1.079 257 T CA 0.938 63.141 62.100 0.173 0.000 1.131 257 T CB 0.963 69.964 68.868 0.222 0.000 1.000 257 T HN 0.837 nan 8.240 nan 0.000 0.549 258 A N 4.904 127.862 122.820 0.229 0.000 1.869 258 A HA -0.026 4.294 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 2.693 54.815 52.037 0.141 0.000 0.638 258 A CB -1.664 17.466 19.000 0.217 0.000 0.831 258 A HN 1.419 nan 8.150 nan 0.000 0.450 259 A N -0.928 121.840 122.820 -0.086 0.000 1.892 259 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 259 A C 2.478 180.061 177.584 -0.002 0.000 1.188 259 A CA 2.414 54.372 52.037 -0.132 0.000 0.631 259 A CB -1.029 17.835 19.000 -0.226 0.000 0.822 259 A HN 0.511 nan 8.150 nan 0.000 0.447 260 S N -1.902 113.834 115.700 0.060 0.000 2.356 260 S HA -0.166 4.304 4.470 -0.000 0.000 0.223 260 S C 1.863 176.548 174.600 0.142 0.000 1.032 260 S CA 1.477 59.735 58.200 0.096 0.000 1.005 260 S CB -0.594 62.666 63.200 0.101 0.000 0.867 260 S HN 0.658 nan 8.310 nan 0.000 0.449 261 Y N 2.430 122.753 120.300 0.038 0.000 2.207 261 Y HA -0.204 4.346 4.550 -0.000 0.000 0.287 261 Y C 2.426 178.384 175.900 0.096 0.000 1.156 261 Y CA 0.896 59.044 58.100 0.079 0.000 1.182 261 Y CB -0.792 37.678 38.460 0.016 0.000 0.979 261 Y HN 0.226 nan 8.280 nan 0.000 0.521 262 A N 0.200 123.063 122.820 0.072 0.000 1.908 262 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 262 A C 2.340 179.871 177.584 -0.089 0.000 1.181 262 A CA 2.099 54.098 52.037 -0.063 0.000 0.627 262 A CB -0.769 18.153 19.000 -0.130 0.000 0.818 262 A HN 0.540 nan 8.150 nan 0.000 0.445 263 R N -2.068 118.415 120.500 -0.028 0.000 2.093 263 R HA -0.119 4.221 4.340 -0.000 0.000 0.224 263 R C 2.068 178.346 176.300 -0.036 0.000 1.101 263 R CA 1.467 57.559 56.100 -0.014 0.000 0.979 263 R CB -0.559 29.767 30.300 0.043 0.000 0.877 263 R HN 0.595 nan 8.270 nan 0.000 0.441 264 Y N 0.417 120.643 120.300 -0.123 0.000 2.193 264 Y HA -0.215 4.335 4.550 -0.000 0.000 0.285 264 Y C 1.628 177.418 175.900 -0.183 0.000 1.166 264 Y CA 1.763 59.776 58.100 -0.146 0.000 1.181 264 Y CB -0.329 38.017 38.460 -0.190 0.000 0.976 264 Y HN -0.096 nan 8.280 nan 0.000 0.520 265 V N 0.074 119.678 119.914 -0.516 0.000 2.346 265 V HA -0.225 3.895 4.120 -0.000 0.000 0.244 265 V C 2.400 178.315 176.094 -0.297 0.000 1.037 265 V CA 1.516 63.503 62.300 -0.522 0.000 1.029 265 V CB -0.833 30.788 31.823 -0.337 0.000 0.663 265 V HN 0.486 nan 8.190 nan 0.000 0.454 266 L N 0.042 121.153 121.223 -0.186 0.000 2.043 266 L HA -0.271 4.069 4.340 -0.000 0.000 0.212 266 L C 2.510 179.313 176.870 -0.112 0.000 1.075 266 L CA 2.075 56.851 54.840 -0.107 0.000 0.752 266 L CB -0.502 41.524 42.059 -0.056 0.000 0.891 266 L HN 0.370 nan 8.230 nan 0.000 0.432 267 Q N -0.931 118.785 119.800 -0.140 0.000 2.079 267 Q HA -0.233 4.107 4.340 -0.000 0.000 0.200 267 Q C 2.319 178.233 176.000 -0.144 0.000 0.974 267 Q CA 1.562 57.296 55.803 -0.115 0.000 0.840 267 Q CB -0.194 28.492 28.738 -0.086 0.000 0.898 267 Q HN 0.467 nan 8.270 nan 0.000 0.430 268 K N 0.624 120.869 120.400 -0.258 0.000 2.103 268 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 268 K C 2.020 178.544 176.600 -0.128 0.000 1.048 268 K CA 0.985 57.130 56.287 -0.236 0.000 0.930 268 K CB -0.036 32.226 32.500 -0.397 0.000 0.716 268 K HN 0.184 nan 8.250 nan 0.000 0.444 269 L N 0.040 121.192 121.223 -0.119 0.000 2.044 269 L HA -0.160 4.180 4.340 -0.000 0.000 0.205 269 L C 2.284 179.107 176.870 -0.078 0.000 1.075 269 L CA 0.720 55.513 54.840 -0.079 0.000 0.747 269 L CB -0.500 41.511 42.059 -0.080 0.000 0.903 269 L HN -0.016 nan 8.230 nan 0.000 0.435 270 V N 0.447 120.317 119.914 -0.075 0.000 2.324 270 V HA -0.322 3.798 4.120 -0.000 0.000 0.250 270 V C 2.474 178.543 176.094 -0.042 0.000 1.060 270 V CA 1.959 64.223 62.300 -0.060 0.000 1.042 270 V CB -0.514 31.285 31.823 -0.040 0.000 0.650 270 V HN 0.353 nan 8.190 nan 0.000 0.450 271 L N -0.447 120.754 121.223 -0.036 0.000 1.994 271 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 271 L C 2.218 179.079 176.870 -0.015 0.000 1.071 271 L CA 1.975 56.805 54.840 -0.016 0.000 0.745 271 L CB -0.565 41.483 42.059 -0.018 0.000 0.892 271 L HN 0.163 nan 8.230 nan 0.000 0.431 272 L N -0.011 121.201 121.223 -0.019 0.000 2.127 272 L HA -0.225 4.115 4.340 -0.000 0.000 0.211 272 L C 2.588 179.445 176.870 -0.021 0.000 1.089 272 L CA 1.816 56.654 54.840 -0.004 0.000 0.757 272 L CB -0.889 41.184 42.059 0.023 0.000 0.899 272 L HN 0.475 nan 8.230 nan 0.000 0.434 273 E N -0.663 119.506 120.200 -0.052 0.000 2.047 273 E HA -0.224 4.126 4.350 -0.000 0.000 0.191 273 E C 2.216 178.788 176.600 -0.048 0.000 0.987 273 E CA 1.153 57.509 56.400 -0.073 0.000 0.799 273 E CB -0.077 29.561 29.700 -0.104 0.000 0.752 273 E HN 0.441 nan 8.360 nan 0.000 0.449 274 M N 0.079 119.661 119.600 -0.029 0.000 2.460 274 M HA -0.098 4.382 4.480 -0.000 0.000 0.263 274 M C 1.541 177.842 176.300 0.002 0.000 1.071 274 M CA 1.022 56.319 55.300 -0.005 0.000 1.096 274 M CB 0.128 32.742 32.600 0.023 0.000 1.408 274 M HN -0.103 nan 8.290 nan 0.000 0.463 275 K N -0.114 120.285 120.400 -0.002 0.000 2.417 275 K HA 0.150 4.470 4.320 -0.000 0.000 0.196 275 K C 1.092 177.692 176.600 0.000 0.000 1.023 275 K CA 0.412 56.701 56.287 0.003 0.000 1.122 275 K CB 0.206 32.710 32.500 0.007 0.000 0.850 275 K HN 0.484 nan 8.250 nan 0.000 0.521 276 G N 0.910 109.706 108.800 -0.008 0.000 2.189 276 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.267 276 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.267 276 G C 0.801 175.701 174.900 -0.000 0.000 0.975 276 G CA 0.273 45.368 45.100 -0.009 0.000 0.644 276 G HN 0.477 nan 8.290 nan 0.000 0.537 277 G N -0.838 107.968 108.800 0.010 0.000 2.807 277 G HA2 0.091 4.051 3.960 -0.000 0.000 0.207 277 G HA3 0.091 4.051 3.960 -0.000 0.000 0.207 277 G C 1.227 176.173 174.900 0.076 0.000 1.151 277 G CA 1.471 46.599 45.100 0.046 0.000 0.800 277 G HN 0.744 nan 8.290 nan 0.000 0.523 278 c N -0.781 117.821 118.600 0.004 0.000 2.974 278 c HA 0.421 4.991 4.570 -0.000 0.000 0.282 278 c C 1.948 176.038 174.090 -0.000 0.000 1.292 278 c CA -0.380 55.926 56.329 -0.038 0.000 1.710 278 c CB -0.581 41.851 42.510 -0.130 0.000 2.036 278 c HN 0.536 nan 8.230 nan 0.000 0.629 279 R N -0.369 120.141 120.500 0.017 0.000 2.637 279 R HA 0.107 4.447 4.340 -0.000 0.000 0.262 279 R C -0.055 176.255 176.300 0.016 0.000 0.959 279 R CA 0.106 56.214 56.100 0.013 0.000 1.061 279 R CB 0.412 30.710 30.300 -0.004 0.000 1.610 279 R HN 0.189 nan 8.270 nan 0.000 0.548 280 E N 1.341 121.552 120.200 0.019 0.000 4.044 280 E HA 0.215 4.565 4.350 -0.000 0.000 0.216 280 E C -2.616 173.989 176.600 0.010 0.000 1.104 280 E CA -1.736 54.666 56.400 0.004 0.000 1.383 280 E CB 1.383 31.079 29.700 -0.006 0.000 1.195 280 E HN -0.025 nan 8.360 nan 0.000 0.442 281 P HA -0.112 nan 4.420 nan 0.000 0.242 281 P C -0.091 177.169 177.300 -0.066 0.000 1.116 281 P CA 0.551 63.677 63.100 0.043 0.000 0.954 281 P CB 0.007 31.735 31.700 0.046 0.000 0.908 282 E N 2.769 122.935 120.200 -0.056 0.000 2.324 282 E HA 0.104 4.454 4.350 -0.000 0.000 0.271 282 E C -0.129 176.359 176.600 -0.187 0.000 1.028 282 E CA -0.023 56.314 56.400 -0.106 0.000 0.890 282 E CB 0.175 29.839 29.700 -0.059 0.000 1.004 282 E HN 0.349 nan 8.360 nan 0.000 0.431 283 L N 5.556 126.610 121.223 -0.282 0.000 2.423 283 L HA 0.213 4.553 4.340 -0.000 0.000 0.249 283 L C -0.497 176.226 176.870 -0.244 0.000 1.276 283 L CA -0.302 54.278 54.840 -0.433 0.000 1.199 283 L CB -0.668 40.975 42.059 -0.692 0.000 1.407 283 L HN 0.553 nan 8.230 nan 0.000 0.410 284 D N -2.745 117.588 120.400 -0.111 0.000 2.497 284 D HA 0.296 4.936 4.640 -0.000 0.000 0.243 284 D C 1.278 177.636 176.300 0.098 0.000 1.039 284 D CA -0.265 53.746 54.000 0.018 0.000 1.052 284 D CB 0.701 41.502 40.800 0.002 0.000 1.344 284 D HN 0.100 nan 8.370 nan 0.000 0.553 285 T N -2.596 112.043 114.554 0.142 0.000 2.665 285 T HA -0.297 4.053 4.350 -0.000 0.000 0.268 285 T C 1.511 176.315 174.700 0.174 0.000 1.035 285 T CA 1.763 63.985 62.100 0.203 0.000 1.151 285 T CB -0.663 68.222 68.868 0.029 0.000 0.862 285 T HN 0.618 nan 8.240 nan 0.000 0.438 286 E N 0.916 121.172 120.200 0.093 0.000 2.023 286 E HA -0.194 4.156 4.350 -0.000 0.000 0.196 286 E C 2.340 178.990 176.600 0.084 0.000 1.003 286 E CA 1.899 58.348 56.400 0.082 0.000 0.809 286 E CB -0.513 29.217 29.700 0.050 0.000 0.755 286 E HN 0.579 nan 8.360 nan 0.000 0.449 287 T N 1.190 115.774 114.554 0.050 0.000 2.720 287 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 287 T C 1.814 176.516 174.700 0.004 0.000 1.037 287 T CA 1.203 63.322 62.100 0.031 0.000 1.144 287 T CB -0.217 68.633 68.868 -0.030 0.000 0.864 287 T HN 0.068 nan 8.240 nan 0.000 0.444 288 L N 0.693 121.897 121.223 -0.031 0.000 2.093 288 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 288 L C 2.787 179.700 176.870 0.072 0.000 1.085 288 L CA 1.574 56.320 54.840 -0.157 0.000 0.755 288 L CB -1.037 40.706 42.059 -0.526 0.000 0.904 288 L HN 0.234 nan 8.230 nan 0.000 0.435 289 T N -1.313 113.406 114.554 0.275 0.000 2.652 289 T HA -0.225 4.125 4.350 -0.000 0.000 0.267 289 T C 1.877 176.738 174.700 0.269 0.000 1.039 289 T CA 2.138 64.452 62.100 0.357 0.000 1.153 289 T CB -0.569 68.466 68.868 0.279 0.000 0.863 289 T HN 0.617 nan 8.240 nan 0.000 0.428 290 T N 1.362 116.016 114.554 0.165 0.000 2.699 290 T HA -0.207 4.143 4.350 -0.000 0.000 0.268 290 T C 2.012 176.799 174.700 0.144 0.000 1.036 290 T CA 1.502 63.669 62.100 0.110 0.000 1.147 290 T CB -0.721 68.190 68.868 0.071 0.000 0.862 290 T HN 0.284 nan 8.240 nan 0.000 0.446 291 M N 0.174 119.856 119.600 0.136 0.000 2.082 291 M HA 0.004 4.484 4.480 -0.000 0.000 0.258 291 M C 2.168 178.579 176.300 0.185 0.000 1.071 291 M CA 2.290 57.660 55.300 0.117 0.000 1.103 291 M CB -0.712 31.820 32.600 -0.112 0.000 1.307 291 M HN 0.295 nan 8.290 nan 0.000 0.409 292 F N 1.438 121.358 119.950 -0.050 0.000 2.126 292 F HA -0.220 4.307 4.527 -0.000 0.000 0.299 292 F C 2.156 178.104 175.800 0.247 0.000 1.096 292 F CA 1.839 59.913 58.000 0.123 0.000 1.255 292 F CB -0.420 38.658 39.000 0.129 0.000 0.997 292 F HN 0.201 nan 8.300 nan 0.000 0.479 293 E N -0.431 119.840 120.200 0.119 0.000 2.150 293 E HA -0.151 4.198 4.350 -0.000 0.000 0.193 293 E C 2.379 179.049 176.600 0.117 0.000 0.985 293 E CA 1.278 57.730 56.400 0.087 0.000 0.814 293 E CB -0.374 29.410 29.700 0.141 0.000 0.752 293 E HN 0.328 nan 8.360 nan 0.000 0.466 294 V N 1.724 121.724 119.914 0.144 0.000 2.407 294 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 294 V C 2.529 178.809 176.094 0.310 0.000 1.055 294 V CA 2.146 64.570 62.300 0.206 0.000 1.049 294 V CB -0.443 31.517 31.823 0.228 0.000 0.662 294 V HN 0.361 nan 8.190 nan 0.000 0.455 295 S N -0.806 115.043 115.700 0.248 0.000 2.414 295 S HA -0.074 4.396 4.470 -0.000 0.000 0.227 295 S C 1.879 176.614 174.600 0.224 0.000 1.022 295 S CA 1.129 59.461 58.200 0.220 0.000 0.958 295 S CB -0.130 63.179 63.200 0.182 0.000 0.797 295 S HN 0.316 nan 8.310 nan 0.000 0.493 296 V N 2.463 122.422 119.914 0.075 0.000 2.515 296 V HA -0.060 4.060 4.120 -0.000 0.000 0.250 296 V C 3.086 179.351 176.094 0.284 0.000 1.058 296 V CA 1.481 63.831 62.300 0.082 0.000 1.064 296 V CB -1.429 30.254 31.823 -0.232 0.000 0.675 296 V HN 0.642 nan 8.190 nan 0.000 0.461 297 A N -0.414 122.661 122.820 0.425 0.000 1.902 297 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 297 A C 2.031 179.699 177.584 0.139 0.000 1.181 297 A CA 1.802 54.062 52.037 0.373 0.000 0.623 297 A CB -0.663 18.458 19.000 0.201 0.000 0.818 297 A HN 0.469 nan 8.150 nan 0.000 0.443 298 F N -1.708 118.305 119.950 0.105 0.000 2.206 298 F HA -0.018 4.509 4.527 -0.000 0.000 0.298 298 F C 1.966 177.840 175.800 0.123 0.000 1.090 298 F CA 1.314 59.342 58.000 0.047 0.000 1.323 298 F CB -0.484 38.535 39.000 0.032 0.000 1.028 298 F HN 0.364 nan 8.300 nan 0.000 0.492 299 F N 1.199 121.290 119.950 0.234 0.000 2.134 299 F HA -0.167 4.360 4.527 -0.000 0.000 0.299 299 F C 2.296 178.225 175.800 0.217 0.000 1.097 299 F CA 1.524 59.655 58.000 0.217 0.000 1.264 299 F CB -0.553 38.557 39.000 0.182 0.000 1.001 299 F HN -0.283 nan 8.300 nan 0.000 0.479 300 K N 0.522 120.878 120.400 -0.073 0.000 2.044 300 K HA -0.164 4.156 4.320 -0.000 0.000 0.210 300 K C 2.217 178.782 176.600 -0.057 0.000 1.049 300 K CA 1.777 57.965 56.287 -0.166 0.000 0.927 300 K CB -1.019 31.437 32.500 -0.073 0.000 0.713 300 K HN 0.283 nan 8.250 nan 0.000 0.443 301 V N 0.331 120.235 119.914 -0.017 0.000 2.343 301 V HA -0.201 3.919 4.120 -0.000 0.000 0.247 301 V C 2.465 178.617 176.094 0.097 0.000 1.051 301 V CA 2.204 64.510 62.300 0.009 0.000 1.036 301 V CB -0.966 30.722 31.823 -0.224 0.000 0.654 301 V HN 0.455 nan 8.190 nan 0.000 0.451 302 G N -1.615 107.270 108.800 0.141 0.000 2.408 302 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.217 302 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.217 302 G C 1.550 176.573 174.900 0.205 0.000 1.150 302 G CA 0.792 46.097 45.100 0.342 0.000 0.776 302 G HN 0.608 nan 8.290 nan 0.000 0.542 303 H N 0.661 119.650 119.070 -0.135 0.000 2.524 303 H HA 0.185 4.741 4.556 -0.000 0.000 0.282 303 H C 2.581 177.853 175.328 -0.093 0.000 1.016 303 H CA 0.840 56.752 56.048 -0.226 0.000 1.270 303 H CB 0.255 29.626 29.762 -0.652 0.000 1.394 303 H HN 0.347 nan 8.280 nan 0.000 0.568 304 A N 0.285 123.091 122.820 -0.023 0.000 1.855 304 A HA -0.065 4.255 4.320 -0.000 0.000 0.213 304 A C 2.588 180.146 177.584 -0.043 0.000 1.195 304 A CA 1.143 53.166 52.037 -0.024 0.000 0.610 304 A CB -0.769 18.308 19.000 0.128 0.000 0.837 304 A HN 0.247 nan 8.150 nan 0.000 0.444 305 V N 0.292 120.242 119.914 0.059 0.000 2.720 305 V HA -0.132 3.988 4.120 -0.000 0.000 0.256 305 V C 2.574 178.659 176.094 -0.014 0.000 1.082 305 V CA 1.601 63.940 62.300 0.064 0.000 1.101 305 V CB -1.311 30.619 31.823 0.179 0.000 0.693 305 V HN 0.614 nan 8.190 nan 0.000 0.479 306 G N -0.395 108.361 108.800 -0.073 0.000 2.404 306 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.213 306 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.213 306 G C 1.421 176.218 174.900 -0.172 0.000 1.189 306 G CA 0.333 45.351 45.100 -0.137 0.000 0.796 306 G HN 0.444 nan 8.290 nan 0.000 0.532 307 E N 0.873 120.919 120.200 -0.257 0.000 2.114 307 E HA -0.138 4.212 4.350 -0.000 0.000 0.199 307 E C 1.980 178.497 176.600 -0.138 0.000 1.008 307 E CA 1.571 57.839 56.400 -0.221 0.000 0.810 307 E CB -0.797 28.758 29.700 -0.242 0.000 0.739 307 E HN 0.524 nan 8.360 nan 0.000 0.456 308 T N -0.507 113.974 114.554 -0.122 0.000 3.783 308 T HA 0.431 4.781 4.350 -0.000 0.000 0.262 308 T C 0.554 175.213 174.700 -0.068 0.000 1.381 308 T CA -0.154 61.890 62.100 -0.093 0.000 1.155 308 T CB 0.013 68.821 68.868 -0.100 0.000 1.256 308 T HN 0.055 nan 8.240 nan 0.000 0.807 309 G N 1.568 110.328 108.800 -0.066 0.000 2.398 309 G HA2 0.271 4.231 3.960 -0.000 0.000 0.246 309 G HA3 0.271 4.231 3.960 -0.000 0.000 0.246 309 G C 0.619 175.495 174.900 -0.040 0.000 1.289 309 G CA -0.696 44.373 45.100 -0.051 0.000 0.869 309 G HN 0.596 nan 8.290 nan 0.000 0.543 310 N N -0.026 118.656 118.700 -0.031 0.000 2.714 310 N HA -0.171 4.569 4.740 -0.000 0.000 0.250 310 N C 0.916 176.410 175.510 -0.026 0.000 1.117 310 N CA 1.294 54.329 53.050 -0.025 0.000 0.719 310 N CB -1.119 37.355 38.487 -0.023 0.000 1.081 310 N HN 0.885 nan 8.380 nan 0.000 0.557 311 G N -0.971 107.811 108.800 -0.030 0.000 2.890 311 G HA2 0.609 4.569 3.960 -0.000 0.000 0.189 311 G HA3 0.609 4.569 3.960 -0.000 0.000 0.189 311 G C -0.729 174.156 174.900 -0.025 0.000 1.342 311 G CA 0.118 45.198 45.100 -0.033 0.000 1.026 311 G HN 0.388 nan 8.290 nan 0.000 0.579 312 c N 0.384 118.967 118.600 -0.029 0.000 2.716 312 c HA 0.552 5.122 4.570 -0.000 0.000 0.366 312 c C -0.356 173.723 174.090 -0.018 0.000 1.073 312 c CA -0.768 55.552 56.329 -0.014 0.000 1.260 312 c CB 0.261 42.766 42.510 -0.008 0.000 1.755 312 c HN 0.779 nan 8.230 nan 0.000 0.475 313 V N 2.809 122.729 119.914 0.009 0.000 2.432 313 V HA 0.450 4.570 4.120 -0.000 0.000 0.275 313 V C 0.182 176.329 176.094 0.088 0.000 1.043 313 V CA -0.164 62.154 62.300 0.028 0.000 0.925 313 V CB 1.261 33.149 31.823 0.109 0.000 0.985 313 V HN 0.868 nan 8.190 nan 0.000 0.466 314 D N 3.065 123.521 120.400 0.093 0.000 2.488 314 D HA 0.013 4.653 4.640 -0.000 0.000 0.238 314 D C 0.765 177.193 176.300 0.212 0.000 1.138 314 D CA -0.106 53.971 54.000 0.128 0.000 0.873 314 D CB 1.259 42.130 40.800 0.117 0.000 1.183 314 D HN 0.599 nan 8.370 nan 0.000 0.458 315 L N 4.437 125.763 121.223 0.172 0.000 2.191 315 L HA -0.094 4.246 4.340 -0.000 0.000 0.212 315 L C 2.062 179.125 176.870 0.322 0.000 1.103 315 L CA 1.622 56.587 54.840 0.209 0.000 0.769 315 L CB -0.279 41.897 42.059 0.195 0.000 0.908 315 L HN 0.477 nan 8.230 nan 0.000 0.438 316 R N -1.492 119.198 120.500 0.317 0.000 2.096 316 R HA -0.223 4.117 4.340 -0.000 0.000 0.235 316 R C 2.167 178.650 176.300 0.304 0.000 1.127 316 R CA 1.719 58.034 56.100 0.359 0.000 0.968 316 R CB -0.796 29.546 30.300 0.071 0.000 0.861 316 R HN 0.605 nan 8.270 nan 0.000 0.440 317 W N 2.177 123.556 121.300 0.131 0.000 2.355 317 W HA -0.176 4.484 4.660 -0.000 0.000 0.309 317 W C 1.473 178.090 176.519 0.163 0.000 1.206 317 W CA 1.389 58.807 57.345 0.122 0.000 1.284 317 W CB -0.236 29.278 29.460 0.091 0.000 1.145 317 W HN 0.048 nan 8.180 nan 0.000 0.502 318 L N 1.229 122.586 121.223 0.222 0.000 1.994 318 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 318 L C 2.920 179.855 176.870 0.108 0.000 1.071 318 L CA 1.570 56.522 54.840 0.185 0.000 0.745 318 L CB -1.735 40.413 42.059 0.147 0.000 0.892 318 L HN -0.073 nan 8.230 nan 0.000 0.431 319 A N -0.083 122.785 122.820 0.080 0.000 2.032 319 A HA -0.267 4.052 4.320 -0.000 0.000 0.221 319 A C 2.442 180.041 177.584 0.024 0.000 1.165 319 A CA 2.199 54.243 52.037 0.011 0.000 0.645 319 A CB -0.440 18.506 19.000 -0.091 0.000 0.807 319 A HN 0.413 nan 8.150 nan 0.000 0.453 320 K N -1.134 119.262 120.400 -0.005 0.000 2.121 320 K HA 0.020 4.340 4.320 -0.000 0.000 0.203 320 K C 2.267 178.816 176.600 -0.085 0.000 1.041 320 K CA 1.030 57.295 56.287 -0.036 0.000 0.969 320 K CB -0.064 32.377 32.500 -0.098 0.000 0.799 320 K HN 0.396 nan 8.250 nan 0.000 0.456 321 S N 0.793 116.290 115.700 -0.339 0.000 2.343 321 S HA -0.093 4.377 4.470 -0.000 0.000 0.219 321 S C 1.649 176.116 174.600 -0.222 0.000 1.033 321 S CA 1.359 59.311 58.200 -0.414 0.000 1.014 321 S CB -0.401 62.371 63.200 -0.713 0.000 0.915 321 S HN 0.264 nan 8.310 nan 0.000 0.435 322 F N 0.704 120.551 119.950 -0.172 0.000 2.408 322 F HA -0.032 4.495 4.527 -0.000 0.000 0.300 322 F C 1.816 177.563 175.800 -0.090 0.000 1.090 322 F CA 0.662 58.594 58.000 -0.113 0.000 1.427 322 F CB -0.290 38.681 39.000 -0.050 0.000 1.070 322 F HN 0.212 nan 8.300 nan 0.000 0.549 323 F N 1.251 121.175 119.950 -0.043 0.000 2.098 323 F HA -0.128 4.399 4.527 -0.000 0.000 0.294 323 F C 2.306 178.010 175.800 -0.161 0.000 1.107 323 F CA 1.464 59.402 58.000 -0.103 0.000 1.234 323 F CB -0.561 38.374 39.000 -0.108 0.000 1.002 323 F HN -0.194 nan 8.300 nan 0.000 0.472 324 E N 0.850 120.841 120.200 -0.349 0.000 2.219 324 E HA -0.203 4.147 4.350 -0.000 0.000 0.198 324 E C 2.409 178.737 176.600 -0.453 0.000 0.998 324 E CA 1.237 57.381 56.400 -0.427 0.000 0.818 324 E CB -0.552 29.029 29.700 -0.200 0.000 0.741 324 E HN 0.500 nan 8.360 nan 0.000 0.477 325 L N 0.285 121.229 121.223 -0.465 0.000 2.095 325 L HA -0.100 4.240 4.340 -0.000 0.000 0.204 325 L C 2.469 179.156 176.870 -0.306 0.000 1.080 325 L CA 1.196 55.693 54.840 -0.571 0.000 0.759 325 L CB -0.511 41.089 42.059 -0.764 0.000 0.914 325 L HN 0.081 nan 8.230 nan 0.000 0.439 326 T N -0.590 113.803 114.554 -0.268 0.000 2.708 326 T HA -0.223 4.127 4.350 -0.000 0.000 0.266 326 T C 1.880 176.402 174.700 -0.298 0.000 1.037 326 T CA 1.611 63.597 62.100 -0.190 0.000 1.146 326 T CB -0.385 68.383 68.868 -0.166 0.000 0.865 326 T HN 0.174 nan 8.240 nan 0.000 0.435 327 V N 1.216 120.788 119.914 -0.569 0.000 2.407 327 V HA -0.085 4.035 4.120 -0.000 0.000 0.248 327 V C 2.243 178.183 176.094 -0.256 0.000 1.055 327 V CA 1.462 63.406 62.300 -0.593 0.000 1.049 327 V CB -0.499 30.795 31.823 -0.882 0.000 0.662 327 V HN 0.377 nan 8.190 nan 0.000 0.455 328 L N 0.807 121.904 121.223 -0.210 0.000 2.027 328 L HA -0.132 4.208 4.340 -0.000 0.000 0.206 328 L C 2.540 179.442 176.870 0.053 0.000 1.074 328 L CA 2.680 57.485 54.840 -0.059 0.000 0.745 328 L CB -0.986 41.035 42.059 -0.064 0.000 0.898 328 L HN 0.405 nan 8.230 nan 0.000 0.433 329 K N -0.752 119.720 120.400 0.119 0.000 2.113 329 K HA -0.225 4.095 4.320 -0.000 0.000 0.208 329 K C 1.644 178.268 176.600 0.040 0.000 1.047 329 K CA 1.893 58.267 56.287 0.144 0.000 0.928 329 K CB -0.225 32.382 32.500 0.177 0.000 0.716 329 K HN 0.456 nan 8.250 nan 0.000 0.446 330 D N 0.925 121.320 120.400 -0.009 0.000 2.084 330 D HA -0.176 4.464 4.640 -0.000 0.000 0.196 330 D C 1.969 178.253 176.300 -0.026 0.000 0.985 330 D CA 1.179 55.166 54.000 -0.022 0.000 0.826 330 D CB -0.202 40.573 40.800 -0.043 0.000 0.978 330 D HN 0.323 nan 8.370 nan 0.000 0.456 331 I N 0.958 121.509 120.570 -0.031 0.000 2.286 331 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 331 I C 2.169 178.230 176.117 -0.093 0.000 1.115 331 I CA 0.921 62.185 61.300 -0.061 0.000 1.392 331 I CB 0.037 38.005 38.000 -0.053 0.000 1.065 331 I HN -0.097 nan 8.210 nan 0.000 0.418 332 I N 0.683 121.231 120.570 -0.035 0.000 2.361 332 I HA -0.205 3.964 4.170 -0.000 0.000 0.251 332 I C 2.431 178.548 176.117 0.001 0.000 1.133 332 I CA 1.453 62.753 61.300 -0.001 0.000 1.413 332 I CB -0.727 37.324 38.000 0.085 0.000 1.073 332 I HN 0.339 nan 8.210 nan 0.000 0.424 333 G N 0.683 109.480 108.800 -0.005 0.000 2.411 333 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.213 333 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.213 333 G C 1.662 176.550 174.900 -0.021 0.000 1.166 333 G CA 0.126 45.230 45.100 0.006 0.000 0.802 333 G HN 0.264 nan 8.290 nan 0.000 0.533 334 I N 0.225 120.763 120.570 -0.052 0.000 2.226 334 I HA -0.178 3.992 4.170 -0.000 0.000 0.245 334 I C 2.836 178.891 176.117 -0.104 0.000 1.100 334 I CA 0.570 61.830 61.300 -0.066 0.000 1.374 334 I CB -0.296 37.660 38.000 -0.073 0.000 1.057 334 I HN 0.316 nan 8.210 nan 0.000 0.413 335 c N 0.128 118.608 118.600 -0.199 0.000 2.762 335 c HA -0.077 4.493 4.570 -0.000 0.000 0.288 335 c C 1.090 175.040 174.090 -0.233 0.000 1.272 335 c CA 0.201 56.318 56.329 -0.354 0.000 1.729 335 c CB -0.561 41.508 42.510 -0.735 0.000 2.135 335 c HN 0.269 nan 8.230 nan 0.000 0.482 336 Y N -0.102 120.209 120.300 0.018 0.000 2.419 336 Y HA 0.469 5.018 4.550 -0.000 0.000 0.328 336 Y C 1.127 177.042 175.900 0.024 0.000 1.162 336 Y CA -0.668 57.450 58.100 0.029 0.000 1.174 336 Y CB 0.215 38.707 38.460 0.054 0.000 1.228 336 Y HN 0.299 nan 8.280 nan 0.000 0.473 337 G N 0.775 109.690 108.800 0.191 0.000 3.356 337 G HA2 0.352 4.312 3.960 -0.000 0.000 0.239 337 G HA3 0.352 4.312 3.960 -0.000 0.000 0.239 337 G C 0.178 175.137 174.900 0.097 0.000 1.252 337 G CA 0.063 45.225 45.100 0.103 0.000 1.611 337 G HN 0.752 nan 8.290 nan 0.000 0.580 338 A N 0.412 123.313 122.820 0.135 0.000 2.340 338 A HA 0.762 5.082 4.320 -0.000 0.000 0.268 338 A C 0.483 178.097 177.584 0.051 0.000 1.100 338 A CA -0.111 51.989 52.037 0.105 0.000 0.803 338 A CB 0.817 19.921 19.000 0.172 0.000 1.043 338 A HN 0.285 nan 8.150 nan 0.000 0.488 339 T N 0.272 114.839 114.554 0.021 0.000 2.916 339 T HA 0.642 4.992 4.350 -0.000 0.000 0.292 339 T C -0.778 173.907 174.700 -0.026 0.000 1.055 339 T CA -0.510 61.594 62.100 0.007 0.000 1.009 339 T CB 1.639 70.519 68.868 0.021 0.000 1.118 339 T HN 0.610 nan 8.240 nan 0.000 0.497 340 V N 2.150 122.027 119.914 -0.062 0.000 2.686 340 V HA 0.721 4.841 4.120 -0.000 0.000 0.306 340 V C -0.811 175.207 176.094 -0.127 0.000 1.065 340 V CA -1.034 61.167 62.300 -0.165 0.000 0.894 340 V CB 1.838 33.464 31.823 -0.328 0.000 1.004 340 V HN 1.005 nan 8.190 nan 0.000 0.424 341 K N 2.289 122.565 120.400 -0.207 0.000 2.543 341 K HA 0.747 5.067 4.320 -0.000 0.000 0.255 341 K C 0.014 176.510 176.600 -0.174 0.000 0.934 341 K CA -0.195 55.985 56.287 -0.179 0.000 0.810 341 K CB 2.145 34.432 32.500 -0.355 0.000 1.315 341 K HN 1.404 nan 8.250 nan 0.000 0.433 342 G N 2.422 111.291 108.800 0.116 0.000 2.181 342 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.152 342 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.152 342 G C -0.059 174.779 174.900 -0.103 0.000 1.026 342 G CA 0.064 45.220 45.100 0.094 0.000 0.699 342 G HN 0.460 nan 8.290 nan 0.000 0.497 343 M N -0.471 119.153 119.600 0.040 0.000 2.204 343 M HA 0.241 4.721 4.480 -0.000 0.000 0.407 343 M C 0.340 176.816 176.300 0.293 0.000 0.920 343 M CA 0.143 55.506 55.300 0.104 0.000 1.037 343 M CB 0.473 33.181 32.600 0.180 0.000 2.010 343 M HN 0.318 nan 8.290 nan 0.000 0.674 344 Q N 1.450 121.390 119.800 0.233 0.000 2.307 344 Q HA 0.486 4.826 4.340 -0.000 0.000 0.262 344 Q C -0.119 175.961 176.000 0.135 0.000 0.961 344 Q CA -0.258 55.687 55.803 0.237 0.000 0.882 344 Q CB 2.131 30.977 28.738 0.181 0.000 1.264 344 Q HN 0.270 nan 8.270 nan 0.000 0.446 345 S N 1.444 117.173 115.700 0.048 0.000 2.594 345 S HA 0.155 4.624 4.470 -0.000 0.000 0.322 345 S C 0.543 175.057 174.600 -0.143 0.000 1.085 345 S CA -0.778 57.371 58.200 -0.086 0.000 1.116 345 S CB 0.146 63.247 63.200 -0.166 0.000 0.979 345 S HN 0.755 nan 8.310 nan 0.000 0.465 346 Y N 2.642 122.899 120.300 -0.071 0.000 2.348 346 Y HA 0.016 4.566 4.550 -0.000 0.000 0.285 346 Y C 1.677 177.534 175.900 -0.071 0.000 1.173 346 Y CA 1.110 59.169 58.100 -0.069 0.000 1.263 346 Y CB -1.106 37.305 38.460 -0.082 0.000 0.974 346 Y HN 0.628 nan 8.280 nan 0.000 0.547 347 G N 1.530 109.945 108.800 -0.642 0.000 2.464 347 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.214 347 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.214 347 G C 1.456 176.224 174.900 -0.220 0.000 1.218 347 G CA 1.031 45.865 45.100 -0.444 0.000 0.794 347 G HN 0.465 nan 8.290 nan 0.000 0.542 348 L N 0.933 122.007 121.223 -0.250 0.000 2.129 348 L HA -0.089 4.251 4.340 -0.000 0.000 0.212 348 L C 2.562 179.341 176.870 -0.152 0.000 1.087 348 L CA 2.145 56.848 54.840 -0.228 0.000 0.757 348 L CB -0.479 41.338 42.059 -0.404 0.000 0.896 348 L HN 0.416 nan 8.230 nan 0.000 0.434 349 E N -0.865 119.269 120.200 -0.110 0.000 2.046 349 E HA -0.194 4.156 4.350 -0.000 0.000 0.190 349 E C 2.333 178.922 176.600 -0.018 0.000 0.982 349 E CA 0.945 57.321 56.400 -0.041 0.000 0.800 349 E CB -0.154 29.552 29.700 0.010 0.000 0.756 349 E HN 0.482 nan 8.360 nan 0.000 0.449 350 R N 0.525 121.023 120.500 -0.003 0.000 2.096 350 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 350 R C 2.476 178.776 176.300 0.000 0.000 1.127 350 R CA 0.754 56.863 56.100 0.015 0.000 0.968 350 R CB -0.249 30.081 30.300 0.049 0.000 0.861 350 R HN 0.098 nan 8.270 nan 0.000 0.440 351 L N 0.397 121.609 121.223 -0.018 0.000 1.994 351 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 351 L C 2.242 179.100 176.870 -0.020 0.000 1.071 351 L CA 2.157 56.991 54.840 -0.011 0.000 0.745 351 L CB -0.609 41.435 42.059 -0.024 0.000 0.892 351 L HN 0.137 nan 8.230 nan 0.000 0.431 352 A N -0.425 122.370 122.820 -0.042 0.000 1.908 352 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 352 A C 2.449 180.009 177.584 -0.040 0.000 1.181 352 A CA 2.092 54.096 52.037 -0.055 0.000 0.627 352 A CB -1.312 17.646 19.000 -0.071 0.000 0.818 352 A HN 0.629 nan 8.150 nan 0.000 0.445 353 A N -0.492 122.313 122.820 -0.025 0.000 1.865 353 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 353 A C 2.307 179.881 177.584 -0.016 0.000 1.191 353 A CA 1.984 54.008 52.037 -0.021 0.000 0.623 353 A CB -0.595 18.394 19.000 -0.019 0.000 0.826 353 A HN 0.539 nan 8.150 nan 0.000 0.444 354 M N -1.064 118.532 119.600 -0.007 0.000 2.086 354 M HA -0.121 4.359 4.480 -0.000 0.000 0.261 354 M C 2.357 178.656 176.300 -0.002 0.000 1.067 354 M CA 1.712 57.012 55.300 0.000 0.000 1.116 354 M CB -0.543 32.064 32.600 0.011 0.000 1.348 354 M HN 0.539 nan 8.290 nan 0.000 0.407 355 L N 0.297 121.517 121.223 -0.005 0.000 1.990 355 L HA -0.289 4.051 4.340 -0.000 0.000 0.213 355 L C 2.588 179.456 176.870 -0.003 0.000 1.072 355 L CA 1.422 56.262 54.840 -0.000 0.000 0.755 355 L CB -0.186 41.874 42.059 0.001 0.000 0.889 355 L HN 0.309 nan 8.230 nan 0.000 0.432 356 M N -0.426 119.163 119.600 -0.018 0.000 2.108 356 M HA -0.168 4.312 4.480 -0.000 0.000 0.261 356 M C 2.447 178.746 176.300 -0.002 0.000 1.066 356 M CA 1.831 57.121 55.300 -0.017 0.000 1.107 356 M CB -1.637 30.947 32.600 -0.026 0.000 1.356 356 M HN 0.442 nan 8.290 nan 0.000 0.406 357 A N -0.102 122.716 122.820 -0.002 0.000 2.186 357 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 357 A C 1.492 179.081 177.584 0.008 0.000 1.159 357 A CA 1.783 53.822 52.037 0.004 0.000 0.680 357 A CB -1.103 17.899 19.000 0.002 0.000 0.787 357 A HN 0.597 nan 8.150 nan 0.000 0.467 358 T N -2.720 111.839 114.554 0.008 0.000 3.255 358 T HA 0.540 4.890 4.350 -0.000 0.000 0.243 358 T C -0.530 174.180 174.700 0.017 0.000 1.057 358 T CA -0.216 61.891 62.100 0.011 0.000 1.121 358 T CB -0.125 68.748 68.868 0.008 0.000 1.104 358 T HN 0.507 nan 8.240 nan 0.000 0.571 359 V N 0.357 120.283 119.914 0.019 0.000 3.048 359 V HA 0.574 4.694 4.120 -0.000 0.000 0.303 359 V C -1.281 174.830 176.094 0.028 0.000 1.214 359 V CA -1.095 61.220 62.300 0.025 0.000 0.984 359 V CB 2.376 34.216 31.823 0.028 0.000 1.054 359 V HN 0.377 nan 8.190 nan 0.000 0.430 360 K N 5.513 125.933 120.400 0.033 0.000 2.021 360 K HA 0.207 4.527 4.320 -0.000 0.000 0.238 360 K C 1.145 177.769 176.600 0.041 0.000 1.149 360 K CA 0.183 56.493 56.287 0.038 0.000 1.105 360 K CB -0.003 32.524 32.500 0.045 0.000 1.246 360 K HN 0.594 nan 8.250 nan 0.000 0.307 361 M N 0.535 120.157 119.600 0.036 0.000 2.067 361 M HA -0.162 4.318 4.480 -0.000 0.000 0.260 361 M C 1.433 177.755 176.300 0.037 0.000 1.069 361 M CA 1.614 56.934 55.300 0.034 0.000 1.117 361 M CB -0.552 32.069 32.600 0.033 0.000 1.334 361 M HN 0.616 nan 8.290 nan 0.000 0.407 362 E N 0.145 120.371 120.200 0.044 0.000 2.510 362 E HA -0.173 4.177 4.350 -0.000 0.000 0.202 362 E C 0.929 177.562 176.600 0.056 0.000 1.072 362 E CA 0.557 56.985 56.400 0.048 0.000 0.883 362 E CB 0.155 29.888 29.700 0.054 0.000 0.818 362 E HN 0.472 nan 8.360 nan 0.000 0.548 363 E N -0.312 119.927 120.200 0.064 0.000 2.810 363 E HA 0.069 4.419 4.350 -0.000 0.000 0.214 363 E C 1.293 177.931 176.600 0.065 0.000 0.980 363 E CA -0.178 56.292 56.400 0.118 0.000 1.159 363 E CB 0.348 30.147 29.700 0.164 0.000 1.047 363 E HN 0.248 nan 8.360 nan 0.000 0.484 364 L N -0.075 121.158 121.223 0.017 0.000 2.083 364 L HA -0.024 4.316 4.340 -0.000 0.000 0.209 364 L C 2.081 178.937 176.870 -0.023 0.000 1.083 364 L CA 1.686 56.533 54.840 0.011 0.000 0.752 364 L CB -0.150 41.915 42.059 0.009 0.000 0.899 364 L HN 0.310 nan 8.230 nan 0.000 0.433 365 G N -1.682 107.054 108.800 -0.106 0.000 2.448 365 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.219 365 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.219 365 G C 1.178 175.981 174.900 -0.161 0.000 1.127 365 G CA 0.439 45.441 45.100 -0.164 0.000 0.766 365 G HN 0.488 nan 8.290 nan 0.000 0.552 366 H N -0.818 118.263 119.070 0.017 0.000 2.556 366 H HA 0.190 4.746 4.556 -0.000 0.000 0.268 366 H C 0.936 176.271 175.328 0.012 0.000 0.996 366 H CA -0.228 55.828 56.048 0.012 0.000 1.157 366 H CB 0.111 29.879 29.762 0.009 0.000 1.355 366 H HN 0.229 nan 8.280 nan 0.000 0.597 367 L N 1.118 122.397 121.223 0.094 0.000 2.488 367 L HA 0.154 4.494 4.340 -0.000 0.000 0.249 367 L C 1.190 178.090 176.870 0.049 0.000 1.151 367 L CA -0.313 54.568 54.840 0.067 0.000 0.806 367 L CB 0.836 42.927 42.059 0.053 0.000 1.261 367 L HN 0.150 nan 8.230 nan 0.000 0.484 368 T N -2.364 112.214 114.554 0.040 0.000 2.788 368 T HA 0.173 4.523 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 0.242 62.360 62.100 0.031 0.000 1.005 368 T CB 0.464 69.346 68.868 0.024 0.000 1.012 368 T HN 0.656 nan 8.240 nan 0.000 0.530 369 T N 0.272 114.841 114.554 0.024 0.000 2.639 369 T HA -0.087 4.263 4.350 -0.000 0.000 0.261 369 T C 1.777 176.491 174.700 0.024 0.000 1.053 369 T CA 1.394 63.508 62.100 0.022 0.000 1.158 369 T CB -0.559 68.322 68.868 0.022 0.000 0.863 369 T HN 0.832 nan 8.240 nan 0.000 0.413 370 E N 0.818 121.032 120.200 0.023 0.000 2.097 370 E HA -0.247 4.103 4.350 -0.000 0.000 0.196 370 E C 2.069 178.695 176.600 0.044 0.000 1.000 370 E CA 1.165 57.580 56.400 0.025 0.000 0.804 370 E CB 0.019 29.725 29.700 0.010 0.000 0.740 370 E HN 0.196 nan 8.360 nan 0.000 0.454 371 K N 0.327 120.751 120.400 0.041 0.000 2.148 371 K HA -0.138 4.182 4.320 -0.000 0.000 0.204 371 K C 2.147 178.806 176.600 0.098 0.000 1.050 371 K CA 0.850 57.183 56.287 0.076 0.000 0.942 371 K CB -0.264 32.267 32.500 0.052 0.000 0.724 371 K HN 0.285 nan 8.250 nan 0.000 0.446 372 Q N 0.958 120.789 119.800 0.051 0.000 2.046 372 Q HA -0.144 4.196 4.340 -0.000 0.000 0.200 372 Q C 1.779 177.780 176.000 0.001 0.000 0.975 372 Q CA 1.437 57.255 55.803 0.024 0.000 0.836 372 Q CB 0.196 28.940 28.738 0.010 0.000 0.896 372 Q HN 0.344 nan 8.270 nan 0.000 0.428 373 E N -0.446 119.755 120.200 0.002 0.000 2.007 373 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 373 E C 1.812 178.379 176.600 -0.056 0.000 0.999 373 E CA 1.330 57.701 56.400 -0.049 0.000 0.811 373 E CB -0.439 29.245 29.700 -0.027 0.000 0.762 373 E HN 0.377 nan 8.360 nan 0.000 0.450 374 Y N 1.613 121.856 120.300 -0.096 0.000 2.132 374 Y HA -0.365 4.185 4.550 -0.000 0.000 0.280 374 Y C 2.104 177.953 175.900 -0.085 0.000 1.193 374 Y CA 1.670 59.719 58.100 -0.084 0.000 1.157 374 Y CB -0.533 37.902 38.460 -0.041 0.000 0.966 374 Y HN 0.056 nan 8.280 nan 0.000 0.511 375 A N -0.041 122.742 122.820 -0.062 0.000 1.828 375 A HA -0.184 4.136 4.320 -0.000 0.000 0.215 375 A C 2.125 179.599 177.584 -0.183 0.000 1.203 375 A CA 1.979 53.941 52.037 -0.126 0.000 0.614 375 A CB -1.329 17.663 19.000 -0.013 0.000 0.844 375 A HN 0.425 nan 8.150 nan 0.000 0.445 376 L N -0.327 120.809 121.223 -0.144 0.000 2.042 376 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 376 L C 2.590 179.302 176.870 -0.264 0.000 1.076 376 L CA 1.972 56.716 54.840 -0.160 0.000 0.749 376 L CB -0.816 41.158 42.059 -0.142 0.000 0.893 376 L HN 0.411 nan 8.230 nan 0.000 0.432 377 R N -0.206 120.065 120.500 -0.381 0.000 2.122 377 R HA -0.241 4.099 4.340 -0.000 0.000 0.236 377 R C 2.284 178.368 176.300 -0.360 0.000 1.129 377 R CA 2.426 58.176 56.100 -0.583 0.000 0.925 377 R CB -0.642 29.360 30.300 -0.497 0.000 0.850 377 R HN 0.430 nan 8.270 nan 0.000 0.431 378 L N -1.414 119.605 121.223 -0.340 0.000 2.275 378 L HA 0.120 4.460 4.340 -0.000 0.000 0.215 378 L C 2.174 178.960 176.870 -0.140 0.000 1.119 378 L CA 1.828 56.520 54.840 -0.247 0.000 0.790 378 L CB -0.524 41.294 42.059 -0.402 0.000 0.919 378 L HN 0.067 nan 8.230 nan 0.000 0.443 379 A N 0.070 122.807 122.820 -0.138 0.000 1.978 379 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 379 A C 2.286 179.892 177.584 0.037 0.000 1.170 379 A CA 2.253 54.263 52.037 -0.044 0.000 0.636 379 A CB -1.198 17.776 19.000 -0.043 0.000 0.810 379 A HN 0.570 nan 8.150 nan 0.000 0.448 380 T N -0.496 114.070 114.554 0.019 0.000 2.812 380 T HA -0.063 4.286 4.350 -0.000 0.000 0.264 380 T C 1.881 176.645 174.700 0.107 0.000 1.042 380 T CA 1.411 63.560 62.100 0.081 0.000 1.140 380 T CB -0.351 68.616 68.868 0.165 0.000 0.870 380 T HN 0.188 nan 8.240 nan 0.000 0.445 381 V N 1.360 121.328 119.914 0.089 0.000 2.407 381 V HA -0.051 4.069 4.120 -0.000 0.000 0.248 381 V C 2.698 178.829 176.094 0.061 0.000 1.055 381 V CA 1.973 64.320 62.300 0.079 0.000 1.049 381 V CB -1.084 30.767 31.823 0.046 0.000 0.662 381 V HN 0.594 nan 8.190 nan 0.000 0.455 382 G N -2.347 106.481 108.800 0.046 0.000 2.939 382 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.210 382 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.210 382 G C 1.263 176.205 174.900 0.071 0.000 1.160 382 G CA 0.183 45.304 45.100 0.036 0.000 0.770 382 G HN 0.493 nan 8.290 nan 0.000 0.543 383 Y N 2.623 122.916 120.300 -0.012 0.000 2.102 383 Y HA -0.185 4.365 4.550 -0.000 0.000 0.280 383 Y C 0.119 176.017 175.900 -0.004 0.000 1.178 383 Y CA 2.268 60.362 58.100 -0.009 0.000 1.146 383 Y CB -0.861 37.595 38.460 -0.007 0.000 0.968 383 Y HN 0.244 nan 8.280 nan 0.000 0.504 384 P HA -0.199 nan 4.420 nan 0.000 0.205 384 P C 1.432 178.732 177.300 0.001 0.000 1.193 384 P CA 1.929 65.097 63.100 0.113 0.000 0.929 384 P CB -0.087 31.693 31.700 0.134 0.000 0.772 385 K N -0.595 119.818 120.400 0.021 0.000 2.228 385 K HA -0.072 4.248 4.320 -0.000 0.000 0.205 385 K C 0.820 177.406 176.600 -0.024 0.000 1.045 385 K CA 1.287 57.580 56.287 0.009 0.000 0.931 385 K CB -0.515 32.009 32.500 0.041 0.000 0.727 385 K HN 0.229 nan 8.250 nan 0.000 0.458 386 A N -2.441 120.345 122.820 -0.057 0.000 2.601 386 A HA 0.556 4.876 4.320 -0.000 0.000 0.291 386 A C -0.218 177.282 177.584 -0.139 0.000 1.075 386 A CA 0.024 52.016 52.037 -0.074 0.000 0.671 386 A CB 1.380 20.359 19.000 -0.035 0.000 1.277 386 A HN 0.174 nan 8.150 nan 0.000 0.417 387 G N -0.780 107.947 108.800 -0.122 0.000 2.327 387 G HA2 0.064 4.024 3.960 -0.000 0.000 0.159 387 G HA3 0.064 4.024 3.960 -0.000 0.000 0.159 387 G C 0.337 175.112 174.900 -0.209 0.000 1.056 387 G CA 0.228 45.237 45.100 -0.153 0.000 0.751 387 G HN 1.534 nan 8.290 nan 0.000 0.488 388 V N -1.199 118.637 119.914 -0.130 0.000 3.129 388 V HA 0.131 4.251 4.120 -0.000 0.000 0.259 388 V C 1.363 177.354 176.094 -0.173 0.000 1.116 388 V CA 1.610 63.818 62.300 -0.153 0.000 1.127 388 V CB -0.321 31.458 31.823 -0.072 0.000 0.742 388 V HN 0.525 nan 8.190 nan 0.000 0.474 389 Y N -0.662 119.591 120.300 -0.078 0.000 2.809 389 Y HA 0.427 4.977 4.550 -0.000 0.000 0.251 389 Y C 0.902 176.776 175.900 -0.042 0.000 1.136 389 Y CA -0.481 57.589 58.100 -0.050 0.000 1.185 389 Y CB 0.920 39.358 38.460 -0.036 0.000 1.260 389 Y HN 0.103 nan 8.280 nan 0.000 0.576 390 S N -0.359 115.373 115.700 0.054 0.000 2.554 390 S HA 0.482 4.952 4.470 -0.000 0.000 0.278 390 S C 1.074 175.687 174.600 0.023 0.000 1.242 390 S CA -0.128 58.093 58.200 0.034 0.000 1.051 390 S CB 0.879 64.076 63.200 -0.006 0.000 0.986 390 S HN 0.531 nan 8.310 nan 0.000 0.502 391 G N 4.494 113.316 108.800 0.037 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 0.828 175.749 174.900 0.036 0.000 0.982 391 G CA -0.170 44.953 45.100 0.038 0.000 1.897 391 G HN 0.754 nan 8.290 nan 0.000 0.624 392 L N -0.168 121.075 121.223 0.034 0.000 2.005 392 L HA -0.070 4.270 4.340 -0.000 0.000 0.207 392 L C 2.609 179.517 176.870 0.064 0.000 1.072 392 L CA 0.863 55.735 54.840 0.054 0.000 0.744 392 L CB -0.206 41.907 42.059 0.091 0.000 0.895 392 L HN 0.314 nan 8.230 nan 0.000 0.433 393 I N 0.078 120.690 120.570 0.070 0.000 2.335 393 I HA -0.200 3.970 4.170 -0.000 0.000 0.251 393 I C 2.540 178.697 176.117 0.067 0.000 1.129 393 I CA 1.479 62.810 61.300 0.053 0.000 1.402 393 I CB -1.231 36.791 38.000 0.035 0.000 1.069 393 I HN 0.195 nan 8.210 nan 0.000 0.424 394 G N 0.524 109.360 108.800 0.061 0.000 2.421 394 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.216 394 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.216 394 G C 1.856 176.796 174.900 0.068 0.000 1.171 394 G CA 0.812 45.952 45.100 0.066 0.000 0.775 394 G HN 0.501 nan 8.290 nan 0.000 0.543 395 G N 1.128 109.960 108.800 0.054 0.000 2.440 395 G HA2 0.014 3.974 3.960 -0.000 0.000 0.218 395 G HA3 0.014 3.974 3.960 -0.000 0.000 0.218 395 G C 2.055 176.990 174.900 0.059 0.000 1.154 395 G CA 1.558 46.684 45.100 0.043 0.000 0.767 395 G HN 0.685 nan 8.290 nan 0.000 0.552 396 A N 0.101 122.971 122.820 0.083 0.000 2.024 396 A HA 0.002 4.322 4.320 -0.000 0.000 0.220 396 A C 2.509 180.250 177.584 0.262 0.000 1.164 396 A CA 2.420 54.544 52.037 0.144 0.000 0.643 396 A CB -0.675 18.385 19.000 0.101 0.000 0.806 396 A HN 0.325 nan 8.150 nan 0.000 0.451 397 T N -0.572 114.114 114.554 0.221 0.000 2.809 397 T HA -0.062 4.288 4.350 -0.000 0.000 0.260 397 T C 2.285 177.027 174.700 0.071 0.000 1.039 397 T CA 1.419 63.639 62.100 0.200 0.000 1.141 397 T CB -0.314 68.660 68.868 0.176 0.000 0.869 397 T HN 0.456 nan 8.240 nan 0.000 0.437 398 S N 0.958 116.686 115.700 0.046 0.000 2.365 398 S HA -0.126 4.344 4.470 -0.000 0.000 0.225 398 S C 2.247 176.820 174.600 -0.045 0.000 1.039 398 S CA 1.191 59.381 58.200 -0.016 0.000 1.033 398 S CB -0.734 62.449 63.200 -0.029 0.000 0.887 398 S HN 0.319 nan 8.310 nan 0.000 0.447 399 V N 1.854 121.759 119.914 -0.014 0.000 2.343 399 V HA -0.123 3.997 4.120 -0.000 0.000 0.247 399 V C 2.067 178.151 176.094 -0.017 0.000 1.051 399 V CA 1.846 64.134 62.300 -0.019 0.000 1.036 399 V CB -0.412 31.412 31.823 0.002 0.000 0.654 399 V HN 0.466 nan 8.190 nan 0.000 0.451 400 L N -0.180 121.031 121.223 -0.020 0.000 2.027 400 L HA -0.048 4.292 4.340 -0.000 0.000 0.206 400 L C 2.220 179.070 176.870 -0.035 0.000 1.074 400 L CA 2.425 57.216 54.840 -0.082 0.000 0.745 400 L CB -1.039 40.832 42.059 -0.313 0.000 0.898 400 L HN 0.385 nan 8.230 nan 0.000 0.433 401 L N -0.518 120.694 121.223 -0.019 0.000 2.021 401 L HA -0.249 4.091 4.340 -0.000 0.000 0.215 401 L C 2.533 179.425 176.870 0.038 0.000 1.074 401 L CA 2.280 57.144 54.840 0.041 0.000 0.760 401 L CB -1.049 41.023 42.059 0.021 0.000 0.889 401 L HN 0.386 nan 8.230 nan 0.000 0.433 402 S N -0.340 115.348 115.700 -0.019 0.000 2.359 402 S HA -0.223 4.247 4.470 -0.000 0.000 0.224 402 S C 2.098 176.716 174.600 0.030 0.000 1.035 402 S CA 1.260 59.445 58.200 -0.025 0.000 1.018 402 S CB -0.786 62.375 63.200 -0.065 0.000 0.876 402 S HN 0.703 nan 8.310 nan 0.000 0.448 403 A N 1.006 123.857 122.820 0.052 0.000 1.892 403 A HA -0.200 4.119 4.320 -0.000 0.000 0.218 403 A C 2.017 179.711 177.584 0.183 0.000 1.188 403 A CA 2.026 54.123 52.037 0.100 0.000 0.631 403 A CB -1.119 17.919 19.000 0.064 0.000 0.822 403 A HN 0.569 nan 8.150 nan 0.000 0.447 404 Y N 1.420 121.725 120.300 0.009 0.000 2.145 404 Y HA -0.210 4.340 4.550 -0.000 0.000 0.286 404 Y C 2.117 178.031 175.900 0.024 0.000 1.145 404 Y CA 1.706 59.818 58.100 0.020 0.000 1.148 404 Y CB -1.069 37.390 38.460 -0.002 0.000 0.981 404 Y HN 0.496 nan 8.280 nan 0.000 0.507 405 N N -0.268 118.362 118.700 -0.116 0.000 2.205 405 N HA -0.211 4.529 4.740 -0.000 0.000 0.186 405 N C 1.942 177.356 175.510 -0.161 0.000 1.015 405 N CA 0.764 53.671 53.050 -0.237 0.000 0.862 405 N CB -0.244 38.159 38.487 -0.139 0.000 0.986 405 N HN 0.269 nan 8.380 nan 0.000 0.429 406 R N 0.306 120.762 120.500 -0.073 0.000 2.307 406 R HA 0.043 4.383 4.340 -0.000 0.000 0.199 406 R C -0.187 175.918 176.300 -0.325 0.000 1.000 406 R CA 0.656 56.665 56.100 -0.151 0.000 1.023 406 R CB 0.179 30.421 30.300 -0.097 0.000 0.908 406 R HN 0.340 nan 8.270 nan 0.000 0.473 407 H N -1.620 117.443 119.070 -0.011 0.000 2.941 407 H HA 0.292 4.848 4.556 -0.000 0.000 0.344 407 H C -2.365 172.994 175.328 0.051 0.000 1.235 407 H CA -1.717 54.349 56.048 0.031 0.000 1.149 407 H CB 2.271 32.064 29.762 0.052 0.000 1.885 407 H HN -0.108 nan 8.280 nan 0.000 0.558 408 P HA 0.209 nan 4.420 nan 0.000 0.208 408 P C -0.882 176.576 177.300 0.263 0.000 1.863 408 P CA -0.266 62.948 63.100 0.190 0.000 1.037 408 P CB -0.373 31.417 31.700 0.151 0.000 1.881 409 L N 0.349 121.776 121.223 0.339 0.000 3.601 409 L HA -0.229 4.111 4.340 -0.000 0.000 0.469 409 L C -0.269 176.769 176.870 0.281 0.000 1.294 409 L CA 0.756 55.762 54.840 0.277 0.000 0.829 409 L CB -2.640 39.551 42.059 0.220 0.000 1.628 409 L HN 0.329 nan 8.230 nan 0.000 0.868 410 F N -0.309 119.672 119.950 0.051 0.000 2.637 410 F HA 0.365 4.892 4.527 -0.000 0.000 0.316 410 F C -1.102 174.639 175.800 -0.099 0.000 1.023 410 F CA -0.660 57.322 58.000 -0.029 0.000 1.071 410 F CB 0.865 39.851 39.000 -0.024 0.000 1.319 410 F HN 0.010 nan 8.300 nan 0.000 0.541 411 Q N 6.190 125.483 119.800 -0.845 0.000 2.245 411 Q HA 0.456 4.796 4.340 -0.000 0.000 0.256 411 Q C -2.549 172.741 176.000 -1.183 0.000 0.942 411 Q CA -2.094 53.211 55.803 -0.831 0.000 0.896 411 Q CB 1.583 30.083 28.738 -0.396 0.000 1.272 411 Q HN 0.366 nan 8.270 nan 0.000 0.442 412 P HA -0.059 nan 4.420 nan 0.000 0.261 412 P C 0.847 177.902 177.300 -0.408 0.000 1.173 412 P CA 0.324 63.111 63.100 -0.522 0.000 0.760 412 P CB 0.491 32.034 31.700 -0.263 0.000 0.783 413 L N 2.695 123.747 121.223 -0.286 0.000 2.137 413 L HA -0.208 4.132 4.340 -0.000 0.000 0.213 413 L C 0.905 177.470 176.870 -0.508 0.000 1.085 413 L CA 1.572 56.227 54.840 -0.309 0.000 0.760 413 L CB -0.290 41.657 42.059 -0.187 0.000 0.893 413 L HN 0.571 nan 8.230 nan 0.000 0.434 414 H N -1.582 117.464 119.070 -0.039 0.000 2.616 414 H HA 0.199 4.755 4.556 -0.000 0.000 0.229 414 H C -0.333 174.980 175.328 -0.024 0.000 1.418 414 H CA -0.140 55.897 56.048 -0.018 0.000 1.248 414 H CB 0.654 30.417 29.762 0.002 0.000 1.822 414 H HN -0.036 nan 8.280 nan 0.000 0.522 415 T N -0.502 114.063 114.554 0.019 0.000 2.934 415 T HA 0.151 4.501 4.350 -0.000 0.000 0.283 415 T C 1.518 176.232 174.700 0.022 0.000 1.005 415 T CA -0.260 61.843 62.100 0.005 0.000 1.041 415 T CB 1.769 70.601 68.868 -0.060 0.000 1.042 415 T HN 0.176 nan 8.240 nan 0.000 0.505 416 V N 5.006 124.936 119.914 0.027 0.000 2.490 416 V HA -0.069 4.051 4.120 -0.000 0.000 0.250 416 V C 2.202 178.307 176.094 0.017 0.000 1.061 416 V CA 2.521 64.838 62.300 0.029 0.000 1.064 416 V CB -0.690 31.150 31.823 0.029 0.000 0.670 416 V HN 0.994 nan 8.190 nan 0.000 0.461 417 M N -0.512 119.092 119.600 0.006 0.000 2.319 417 M HA -0.096 4.384 4.480 -0.000 0.000 0.265 417 M C 2.202 178.491 176.300 -0.018 0.000 1.068 417 M CA 1.877 57.175 55.300 -0.004 0.000 1.118 417 M CB -0.194 32.408 32.600 0.003 0.000 1.395 417 M HN 0.342 nan 8.290 nan 0.000 0.435 418 R N 0.609 121.098 120.500 -0.018 0.000 2.096 418 R HA -0.255 4.085 4.340 -0.000 0.000 0.240 418 R C 1.929 178.210 176.300 -0.031 0.000 1.139 418 R CA 2.311 58.411 56.100 0.001 0.000 0.952 418 R CB -0.401 29.901 30.300 0.003 0.000 0.854 418 R HN 0.429 nan 8.270 nan 0.000 0.436 419 E N -0.564 119.641 120.200 0.007 0.000 2.160 419 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 419 E C 1.501 178.109 176.600 0.013 0.000 0.991 419 E CA 2.246 58.676 56.400 0.051 0.000 0.810 419 E CB -0.275 29.472 29.700 0.079 0.000 0.742 419 E HN 0.435 nan 8.360 nan 0.000 0.466 420 T N 0.546 115.076 114.554 -0.041 0.000 2.643 420 T HA -0.137 4.212 4.350 -0.000 0.000 0.264 420 T C 1.682 176.297 174.700 -0.140 0.000 1.045 420 T CA 1.480 63.534 62.100 -0.076 0.000 1.155 420 T CB -0.391 68.449 68.868 -0.046 0.000 0.863 420 T HN 0.088 nan 8.240 nan 0.000 0.420 421 L N 0.575 121.698 121.223 -0.166 0.000 2.129 421 L HA -0.042 4.298 4.340 -0.000 0.000 0.212 421 L C 2.076 178.618 176.870 -0.545 0.000 1.087 421 L CA 1.359 56.080 54.840 -0.199 0.000 0.757 421 L CB -0.966 41.072 42.059 -0.035 0.000 0.896 421 L HN 0.226 nan 8.230 nan 0.000 0.434 422 F N 0.249 119.534 119.950 -1.108 0.000 2.113 422 F HA -0.172 4.355 4.527 -0.000 0.000 0.297 422 F C 2.269 177.862 175.800 -0.344 0.000 1.103 422 F CA 1.357 58.651 58.000 -1.177 0.000 1.248 422 F CB -0.349 38.197 39.000 -0.756 0.000 0.999 422 F HN -0.021 nan 8.300 nan 0.000 0.475 423 I N 0.347 120.688 120.570 -0.382 0.000 2.226 423 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 423 I C 2.733 178.735 176.117 -0.192 0.000 1.100 423 I CA 1.424 62.557 61.300 -0.278 0.000 1.374 423 I CB -1.391 36.339 38.000 -0.451 0.000 1.057 423 I HN 0.322 nan 8.210 nan 0.000 0.413 424 G N 0.638 109.332 108.800 -0.176 0.000 2.408 424 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 424 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 424 G C 1.815 176.659 174.900 -0.093 0.000 1.150 424 G CA 0.958 46.013 45.100 -0.075 0.000 0.776 424 G HN 0.498 nan 8.290 nan 0.000 0.542 425 S N 0.478 116.112 115.700 -0.111 0.000 2.387 425 S HA -0.276 4.194 4.470 -0.000 0.000 0.230 425 S C 2.090 176.557 174.600 -0.222 0.000 1.035 425 S CA 1.773 59.895 58.200 -0.130 0.000 1.014 425 S CB -0.849 62.403 63.200 0.087 0.000 0.836 425 S HN 0.520 nan 8.310 nan 0.000 0.466 426 H N 0.477 119.460 119.070 -0.146 0.000 2.289 426 H HA -0.029 4.527 4.556 -0.000 0.000 0.296 426 H C 2.499 177.704 175.328 -0.207 0.000 1.091 426 H CA 1.703 57.657 56.048 -0.157 0.000 1.274 426 H CB -1.003 28.676 29.762 -0.139 0.000 1.364 426 H HN 0.404 nan 8.280 nan 0.000 0.490 427 V N 1.190 121.058 119.914 -0.076 0.000 2.913 427 V HA -0.134 3.986 4.120 -0.000 0.000 0.260 427 V C 2.234 178.185 176.094 -0.237 0.000 1.098 427 V CA 0.864 63.043 62.300 -0.202 0.000 1.121 427 V CB -0.423 31.357 31.823 -0.072 0.000 0.714 427 V HN 0.134 nan 8.190 nan 0.000 0.487 428 V N -0.715 119.053 119.914 -0.242 0.000 2.426 428 V HA -0.080 4.040 4.120 -0.000 0.000 0.242 428 V C 2.245 178.208 176.094 -0.219 0.000 1.036 428 V CA 1.569 63.687 62.300 -0.304 0.000 1.044 428 V CB -0.392 31.040 31.823 -0.651 0.000 0.688 428 V HN 0.518 nan 8.190 nan 0.000 0.462 429 L N 0.364 121.478 121.223 -0.183 0.000 1.989 429 L HA -0.173 4.167 4.340 -0.000 0.000 0.211 429 L C 2.622 179.434 176.870 -0.096 0.000 1.071 429 L CA 2.071 56.851 54.840 -0.100 0.000 0.749 429 L CB -0.652 41.373 42.059 -0.057 0.000 0.890 429 L HN 0.149 nan 8.230 nan 0.000 0.431 430 R N -0.827 119.570 120.500 -0.172 0.000 2.113 430 R HA -0.273 4.067 4.340 -0.000 0.000 0.244 430 R C 2.272 178.489 176.300 -0.138 0.000 1.142 430 R CA 1.931 57.895 56.100 -0.226 0.000 0.953 430 R CB -0.256 29.723 30.300 -0.536 0.000 0.860 430 R HN 0.446 nan 8.270 nan 0.000 0.438 431 E N 0.528 120.647 120.200 -0.135 0.000 2.031 431 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 431 E C 1.942 178.571 176.600 0.048 0.000 0.994 431 E CA 1.393 57.804 56.400 0.018 0.000 0.800 431 E CB -0.316 29.388 29.700 0.005 0.000 0.752 431 E HN 0.286 nan 8.360 nan 0.000 0.447 432 L N 0.330 121.582 121.223 0.047 0.000 2.013 432 L HA -0.224 4.116 4.340 -0.000 0.000 0.212 432 L C 2.592 179.614 176.870 0.252 0.000 1.073 432 L CA 1.551 56.506 54.840 0.191 0.000 0.753 432 L CB -0.467 41.661 42.059 0.114 0.000 0.890 432 L HN 0.084 nan 8.230 nan 0.000 0.432 433 R N -0.229 120.333 120.500 0.104 0.000 2.200 433 R HA -0.075 4.265 4.340 -0.000 0.000 0.234 433 R C 0.757 177.109 176.300 0.087 0.000 1.127 433 R CA 0.656 56.795 56.100 0.066 0.000 0.989 433 R CB -0.920 29.394 30.300 0.024 0.000 0.869 433 R HN 0.180 nan 8.270 nan 0.000 0.459 434 L N 1.693 122.999 121.223 0.138 0.000 2.470 434 L HA -0.025 4.315 4.340 -0.000 0.000 0.243 434 L C 1.518 178.495 176.870 0.178 0.000 1.227 434 L CA 0.683 55.596 54.840 0.122 0.000 0.824 434 L CB 0.173 42.292 42.059 0.100 0.000 1.175 434 L HN 0.233 nan 8.230 nan 0.000 0.503 435 N N -1.260 117.506 118.700 0.109 0.000 2.177 435 N HA 0.038 4.778 4.740 -0.000 0.000 0.218 435 N C -0.769 174.795 175.510 0.090 0.000 1.182 435 N CA -0.007 53.105 53.050 0.103 0.000 0.882 435 N CB 0.441 38.920 38.487 -0.014 0.000 1.052 435 N HN 0.215 nan 8.380 nan 0.000 0.519 436 V N 2.449 122.392 119.914 0.049 0.000 2.320 436 V HA 0.171 4.291 4.120 -0.000 0.000 0.265 436 V C 0.580 176.627 176.094 -0.078 0.000 1.048 436 V CA -0.624 61.664 62.300 -0.020 0.000 0.865 436 V CB 0.149 31.938 31.823 -0.057 0.000 1.043 436 V HN 0.255 nan 8.190 nan 0.000 0.474 437 T N 1.485 116.004 114.554 -0.058 0.000 3.738 437 T HA 0.105 4.455 4.350 -0.000 0.000 0.231 437 T C 0.411 175.041 174.700 -0.117 0.000 0.967 437 T CA -0.201 61.829 62.100 -0.117 0.000 1.227 437 T CB -1.038 67.824 68.868 -0.010 0.000 1.136 437 T HN 0.616 nan 8.240 nan 0.000 0.807 438 T N 3.666 118.123 114.554 -0.162 0.000 2.779 438 T HA 0.366 4.716 4.350 -0.000 0.000 0.280 438 T C 0.386 175.018 174.700 -0.113 0.000 0.987 438 T CA -0.895 61.120 62.100 -0.142 0.000 0.966 438 T CB 1.310 70.056 68.868 -0.204 0.000 0.933 438 T HN 0.629 nan 8.240 nan 0.000 0.442 439 Q N 0.584 120.346 119.800 -0.062 0.000 2.494 439 Q HA -0.224 4.116 4.340 -0.000 0.000 0.266 439 Q C 1.586 177.568 176.000 -0.030 0.000 1.053 439 Q CA 0.601 56.388 55.803 -0.026 0.000 1.029 439 Q CB -1.964 26.762 28.738 -0.019 0.000 1.423 439 Q HN 1.026 nan 8.270 nan 0.000 0.516 440 G N 1.243 110.013 108.800 -0.050 0.000 2.476 440 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 440 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 440 G C -0.948 173.961 174.900 0.016 0.000 1.164 440 G CA 1.408 46.483 45.100 -0.043 0.000 0.768 440 G HN 0.367 nan 8.290 nan 0.000 0.560 441 P HA -0.090 nan 4.420 nan 0.000 0.215 441 P C 1.545 178.882 177.300 0.062 0.000 1.157 441 P CA 1.378 64.509 63.100 0.052 0.000 0.863 441 P CB -0.071 31.661 31.700 0.053 0.000 0.787 442 N N -0.841 117.893 118.700 0.057 0.000 2.309 442 N HA -0.124 4.616 4.740 -0.000 0.000 0.182 442 N C 1.549 177.115 175.510 0.095 0.000 1.018 442 N CA 0.688 53.783 53.050 0.075 0.000 0.876 442 N CB -0.711 37.814 38.487 0.064 0.000 0.972 442 N HN 0.033 nan 8.380 nan 0.000 0.434 443 L N -0.512 120.752 121.223 0.069 0.000 2.127 443 L HA 0.210 4.550 4.340 -0.000 0.000 0.203 443 L C 2.109 179.049 176.870 0.116 0.000 1.080 443 L CA 1.140 56.028 54.840 0.079 0.000 0.768 443 L CB -0.562 41.501 42.059 0.007 0.000 0.924 443 L HN 0.126 nan 8.230 nan 0.000 0.444 444 A N 0.204 123.078 122.820 0.089 0.000 1.948 444 A HA -0.273 4.047 4.320 -0.000 0.000 0.220 444 A C 2.196 179.832 177.584 0.086 0.000 1.177 444 A CA 2.110 54.202 52.037 0.091 0.000 0.636 444 A CB -1.028 18.017 19.000 0.076 0.000 0.815 444 A HN 0.544 nan 8.150 nan 0.000 0.449 445 L N -1.549 119.728 121.223 0.090 0.000 2.012 445 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 445 L C 2.257 179.184 176.870 0.095 0.000 1.073 445 L CA 2.570 57.454 54.840 0.075 0.000 0.748 445 L CB -1.117 41.005 42.059 0.105 0.000 0.891 445 L HN 0.500 nan 8.230 nan 0.000 0.431 446 Y N 0.235 120.552 120.300 0.030 0.000 2.102 446 Y HA -0.377 4.173 4.550 -0.000 0.000 0.280 446 Y C 2.643 178.546 175.900 0.005 0.000 1.178 446 Y CA 2.412 60.528 58.100 0.027 0.000 1.146 446 Y CB -0.122 38.358 38.460 0.033 0.000 0.968 446 Y HN 0.431 nan 8.280 nan 0.000 0.504 447 Q N -0.621 119.334 119.800 0.259 0.000 2.050 447 Q HA -0.233 4.107 4.340 -0.000 0.000 0.202 447 Q C 2.220 178.235 176.000 0.024 0.000 0.980 447 Q CA 1.673 57.565 55.803 0.149 0.000 0.840 447 Q CB -0.509 28.298 28.738 0.116 0.000 0.898 447 Q HN 0.502 nan 8.270 nan 0.000 0.424 448 L N 1.137 122.353 121.223 -0.013 0.000 1.971 448 L HA -0.220 4.120 4.340 -0.000 0.000 0.215 448 L C 2.095 178.892 176.870 -0.122 0.000 1.072 448 L CA 1.720 56.505 54.840 -0.092 0.000 0.758 448 L CB -0.683 41.262 42.059 -0.189 0.000 0.889 448 L HN 0.190 nan 8.230 nan 0.000 0.433 449 L N -0.672 120.471 121.223 -0.132 0.000 1.971 449 L HA -0.275 4.064 4.340 -0.000 0.000 0.215 449 L C 2.674 179.332 176.870 -0.353 0.000 1.072 449 L CA 1.924 56.595 54.840 -0.281 0.000 0.758 449 L CB -1.227 40.684 42.059 -0.247 0.000 0.889 449 L HN 0.521 nan 8.230 nan 0.000 0.433 450 S N -1.335 114.220 115.700 -0.241 0.000 2.387 450 S HA -0.221 4.249 4.470 -0.000 0.000 0.230 450 S C 1.903 176.410 174.600 -0.156 0.000 1.035 450 S CA 1.893 59.990 58.200 -0.172 0.000 1.014 450 S CB -1.049 62.134 63.200 -0.029 0.000 0.836 450 S HN 0.402 nan 8.310 nan 0.000 0.466 451 T N 2.851 117.325 114.554 -0.132 0.000 2.684 451 T HA -0.004 4.346 4.350 -0.000 0.000 0.267 451 T C 2.259 176.889 174.700 -0.117 0.000 1.036 451 T CA 1.543 63.569 62.100 -0.123 0.000 1.148 451 T CB -0.895 67.910 68.868 -0.106 0.000 0.863 451 T HN 0.639 nan 8.240 nan 0.000 0.436 452 A N 1.031 123.767 122.820 -0.139 0.000 1.940 452 A HA -0.002 4.318 4.320 -0.000 0.000 0.219 452 A C 2.269 179.781 177.584 -0.119 0.000 1.176 452 A CA 1.257 53.230 52.037 -0.107 0.000 0.631 452 A CB -0.895 18.024 19.000 -0.135 0.000 0.814 452 A HN 0.483 nan 8.150 nan 0.000 0.446 453 L N -1.107 119.988 121.223 -0.213 0.000 2.265 453 L HA -0.143 4.197 4.340 -0.000 0.000 0.215 453 L C 1.813 178.645 176.870 -0.063 0.000 1.117 453 L CA 0.504 55.264 54.840 -0.134 0.000 0.782 453 L CB -0.323 41.627 42.059 -0.181 0.000 0.914 453 L HN 0.537 nan 8.230 nan 0.000 0.441 454 c N 1.168 119.716 118.600 -0.085 0.000 2.694 454 c HA 0.176 4.746 4.570 -0.000 0.000 0.455 454 c C 1.644 175.708 174.090 -0.042 0.000 1.293 454 c CA -0.901 55.387 56.329 -0.069 0.000 1.614 454 c CB -2.333 40.126 42.510 -0.086 0.000 2.015 454 c HN 0.455 nan 8.230 nan 0.000 0.608 455 S N 0.940 116.631 115.700 -0.016 0.000 2.624 455 S HA 0.482 4.952 4.470 -0.000 0.000 0.263 455 S C 1.415 175.981 174.600 -0.055 0.000 1.287 455 S CA 0.160 58.353 58.200 -0.011 0.000 0.990 455 S CB 1.144 64.365 63.200 0.035 0.000 0.950 455 S HN 0.803 nan 8.310 nan 0.000 0.561 456 A N 0.623 123.399 122.820 -0.073 0.000 2.024 456 A HA -0.040 4.280 4.320 -0.000 0.000 0.220 456 A C 2.027 179.513 177.584 -0.163 0.000 1.164 456 A CA 1.496 53.466 52.037 -0.112 0.000 0.643 456 A CB -0.966 17.965 19.000 -0.116 0.000 0.806 456 A HN 0.843 nan 8.150 nan 0.000 0.451 457 L N -0.301 120.812 121.223 -0.183 0.000 2.072 457 L HA -0.092 4.248 4.340 -0.000 0.000 0.205 457 L C 2.339 178.958 176.870 -0.419 0.000 1.079 457 L CA 2.541 57.173 54.840 -0.346 0.000 0.752 457 L CB -0.539 41.291 42.059 -0.381 0.000 0.906 457 L HN 0.560 nan 8.230 nan 0.000 0.436 458 E N 0.203 120.305 120.200 -0.163 0.000 2.001 458 E HA -0.279 4.071 4.350 -0.000 0.000 0.195 458 E C 2.246 178.777 176.600 -0.115 0.000 1.002 458 E CA 2.202 58.629 56.400 0.046 0.000 0.819 458 E CB -0.781 28.978 29.700 0.098 0.000 0.769 458 E HN 0.462 nan 8.360 nan 0.000 0.454 459 I N 0.035 120.507 120.570 -0.164 0.000 2.300 459 I HA -0.236 3.934 4.170 -0.000 0.000 0.252 459 I C 1.964 177.893 176.117 -0.314 0.000 1.119 459 I CA 1.890 63.019 61.300 -0.285 0.000 1.384 459 I CB -0.470 37.418 38.000 -0.187 0.000 1.062 459 I HN 0.341 nan 8.210 nan 0.000 0.426 460 G N -0.099 108.556 108.800 -0.240 0.000 2.404 460 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.214 460 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.214 460 G C 1.472 176.242 174.900 -0.216 0.000 1.189 460 G CA 0.326 45.292 45.100 -0.223 0.000 0.789 460 G HN 0.316 nan 8.290 nan 0.000 0.533 461 E N 0.454 120.521 120.200 -0.221 0.000 2.110 461 E HA -0.075 4.275 4.350 -0.000 0.000 0.193 461 E C 2.860 179.393 176.600 -0.112 0.000 0.988 461 E CA 0.507 56.821 56.400 -0.143 0.000 0.804 461 E CB -0.527 29.121 29.700 -0.086 0.000 0.745 461 E HN 0.263 nan 8.360 nan 0.000 0.458 462 V N 1.151 120.964 119.914 -0.167 0.000 2.332 462 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 462 V C 2.410 178.369 176.094 -0.224 0.000 1.055 462 V CA 1.345 63.515 62.300 -0.217 0.000 1.038 462 V CB -0.438 31.146 31.823 -0.397 0.000 0.651 462 V HN 0.159 nan 8.190 nan 0.000 0.450 463 L N -0.275 120.777 121.223 -0.285 0.000 1.994 463 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 463 L C 2.554 179.359 176.870 -0.109 0.000 1.071 463 L CA 2.104 56.821 54.840 -0.204 0.000 0.745 463 L CB -1.073 40.862 42.059 -0.207 0.000 0.892 463 L HN 0.311 nan 8.230 nan 0.000 0.431 464 R N -0.034 120.404 120.500 -0.103 0.000 2.112 464 R HA -0.190 4.150 4.340 -0.000 0.000 0.242 464 R C 2.203 178.485 176.300 -0.031 0.000 1.137 464 R CA 2.042 58.105 56.100 -0.062 0.000 0.944 464 R CB -1.314 28.949 30.300 -0.062 0.000 0.857 464 R HN 0.372 nan 8.270 nan 0.000 0.435 465 G N 0.297 109.081 108.800 -0.026 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 1.532 176.444 174.900 0.020 0.000 1.158 465 G CA 1.002 46.110 45.100 0.013 0.000 0.771 465 G HN 0.320 nan 8.290 nan 0.000 0.545 466 L N 0.621 121.844 121.223 -0.000 0.000 2.012 466 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 466 L C 3.440 180.320 176.870 0.017 0.000 1.073 466 L CA 1.227 56.078 54.840 0.019 0.000 0.748 466 L CB -0.424 41.646 42.059 0.018 0.000 0.891 466 L HN 0.326 nan 8.230 nan 0.000 0.431 467 A N -0.132 122.689 122.820 0.002 0.000 1.877 467 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 467 A C 2.125 179.715 177.584 0.010 0.000 1.186 467 A CA 1.367 53.406 52.037 0.003 0.000 0.620 467 A CB -0.712 18.282 19.000 -0.010 0.000 0.822 467 A HN 0.386 nan 8.150 nan 0.000 0.443 468 L N -0.819 120.411 121.223 0.012 0.000 2.610 468 L HA 0.108 4.448 4.340 -0.000 0.000 0.232 468 L C 1.661 178.548 176.870 0.029 0.000 1.149 468 L CA 0.494 55.346 54.840 0.019 0.000 0.872 468 L CB -0.413 41.658 42.059 0.020 0.000 0.992 468 L HN 0.630 nan 8.230 nan 0.000 0.447 469 G N 0.210 109.031 108.800 0.034 0.000 2.179 469 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.257 469 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.257 469 G C 0.940 175.874 174.900 0.057 0.000 1.010 469 G CA 0.756 45.881 45.100 0.042 0.000 0.736 469 G HN 0.428 nan 8.290 nan 0.000 0.513 470 T N -3.064 111.537 114.554 0.078 0.000 3.009 470 T HA 0.320 4.670 4.350 -0.000 0.000 0.258 470 T C 0.832 175.655 174.700 0.205 0.000 1.063 470 T CA 1.353 63.525 62.100 0.120 0.000 1.139 470 T CB 0.419 69.380 68.868 0.155 0.000 0.890 470 T HN 0.426 nan 8.240 nan 0.000 0.471 471 E N 1.689 121.988 120.200 0.165 0.000 2.166 471 E HA 0.468 4.818 4.350 -0.000 0.000 0.275 471 E C 1.087 177.746 176.600 0.097 0.000 0.941 471 E CA -0.214 56.274 56.400 0.147 0.000 0.784 471 E CB 1.821 31.542 29.700 0.034 0.000 1.115 471 E HN 0.236 nan 8.360 nan 0.000 0.399 472 S N 3.118 118.876 115.700 0.096 0.000 2.428 472 S HA 0.106 4.576 4.470 -0.000 0.000 0.230 472 S C 1.509 176.152 174.600 0.072 0.000 1.014 472 S CA 0.418 58.656 58.200 0.063 0.000 0.957 472 S CB -0.385 62.838 63.200 0.038 0.000 0.784 472 S HN 1.185 nan 8.310 nan 0.000 0.499 473 G N 0.822 109.676 108.800 0.089 0.000 2.132 473 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.228 473 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.228 473 G C 0.363 175.376 174.900 0.188 0.000 1.000 473 G CA 0.331 45.528 45.100 0.161 0.000 0.693 473 G HN 0.610 nan 8.290 nan 0.000 0.515 474 L N -0.653 120.620 121.223 0.085 0.000 2.056 474 L HA 0.559 4.899 4.340 -0.000 0.000 0.207 474 L C 0.949 177.926 176.870 0.178 0.000 1.078 474 L CA 2.175 57.023 54.840 0.013 0.000 0.749 474 L CB -0.170 41.762 42.059 -0.211 0.000 0.901 474 L HN 0.598 nan 8.230 nan 0.000 0.433 475 F N -0.987 118.969 119.950 0.011 0.000 2.599 475 F HA 0.598 5.125 4.527 -0.000 0.000 0.311 475 F C -0.667 175.100 175.800 -0.056 0.000 1.076 475 F CA -0.340 57.742 58.000 0.137 0.000 0.937 475 F CB 1.576 40.583 39.000 0.010 0.000 1.282 475 F HN -0.197 nan 8.300 nan 0.000 0.460 476 S N 4.808 119.529 115.700 -1.631 0.000 2.548 476 S HA 0.386 4.855 4.470 -0.000 0.000 0.278 476 S C -2.539 171.220 174.600 -1.402 0.000 1.150 476 S CA -1.047 56.308 58.200 -1.409 0.000 0.907 476 S CB 1.929 64.540 63.200 -0.982 0.000 1.108 476 S HN 0.491 nan 8.310 nan 0.000 0.459 477 P HA 0.016 nan 4.420 nan 0.000 0.226 477 P C 1.242 178.376 177.300 -0.277 0.000 1.146 477 P CA 0.759 63.628 63.100 -0.385 0.000 0.773 477 P CB -0.413 31.168 31.700 -0.197 0.000 0.772 478 c N -1.787 116.593 118.600 -0.367 0.000 2.457 478 c HA -0.074 4.496 4.570 -0.000 0.000 0.278 478 c C 2.472 176.490 174.090 -0.119 0.000 1.309 478 c CA 0.278 56.478 56.329 -0.214 0.000 1.735 478 c CB -2.131 40.304 42.510 -0.125 0.000 1.992 478 c HN 0.179 nan 8.230 nan 0.000 0.493 479 Y N 0.997 121.197 120.300 -0.166 0.000 2.446 479 Y HA -0.071 4.479 4.550 -0.000 0.000 0.287 479 Y C 1.784 177.653 175.900 -0.053 0.000 1.159 479 Y CA 1.035 59.057 58.100 -0.129 0.000 1.297 479 Y CB -0.741 37.647 38.460 -0.120 0.000 0.974 479 Y HN 0.303 nan 8.280 nan 0.000 0.557 480 L N -1.956 119.330 121.223 0.106 0.000 3.039 480 L HA 0.185 4.525 4.340 -0.000 0.000 0.269 480 L C 1.030 177.933 176.870 0.055 0.000 1.169 480 L CA 0.006 54.909 54.840 0.105 0.000 0.986 480 L CB -0.142 42.015 42.059 0.164 0.000 1.377 480 L HN -0.085 nan 8.230 nan 0.000 0.575 481 S N 0.191 115.878 115.700 -0.023 0.000 2.589 481 S HA 0.248 4.718 4.470 -0.000 0.000 0.265 481 S C 0.573 175.035 174.600 -0.231 0.000 1.342 481 S CA -0.236 57.902 58.200 -0.103 0.000 1.005 481 S CB 0.461 63.575 63.200 -0.143 0.000 0.909 481 S HN 0.220 nan 8.310 nan 0.000 0.555 482 L N 0.897 121.939 121.223 -0.302 0.000 2.978 482 L HA 0.338 4.678 4.340 -0.000 0.000 0.239 482 L C 1.048 177.343 176.870 -0.959 0.000 1.293 482 L CA -0.150 54.333 54.840 -0.595 0.000 1.085 482 L CB -0.254 41.727 42.059 -0.130 0.000 1.432 482 L HN 0.570 nan 8.230 nan 0.000 0.512 483 R N 0.988 121.011 120.500 -0.795 0.000 2.369 483 R HA 0.207 4.547 4.340 -0.000 0.000 0.310 483 R C -0.500 175.505 176.300 -0.492 0.000 1.141 483 R CA -0.430 55.368 56.100 -0.503 0.000 1.116 483 R CB 0.216 30.380 30.300 -0.227 0.000 1.135 483 R HN 0.103 nan 8.270 nan 0.000 0.529 484 F N 1.150 121.117 119.950 0.028 0.000 2.713 484 F HA 0.133 4.660 4.527 -0.000 0.000 0.294 484 F C 1.422 177.235 175.800 0.021 0.000 1.152 484 F CA -0.481 57.533 58.000 0.022 0.000 1.385 484 F CB 0.185 39.196 39.000 0.018 0.000 0.981 484 F HN 0.416 nan 8.300 nan 0.000 0.514 485 D N 0.870 121.329 120.400 0.098 0.000 2.240 485 D HA -0.032 4.608 4.640 -0.000 0.000 0.206 485 D C 0.704 177.042 176.300 0.063 0.000 0.963 485 D CA 0.473 54.518 54.000 0.076 0.000 0.863 485 D CB 0.129 40.953 40.800 0.039 0.000 0.973 485 D HN 0.116 nan 8.370 nan 0.000 0.501 486 L N 1.621 122.880 121.223 0.061 0.000 2.500 486 L HA 0.355 4.695 4.340 -0.000 0.000 0.272 486 L C 0.587 177.504 176.870 0.080 0.000 1.149 486 L CA -0.229 54.654 54.840 0.071 0.000 0.897 486 L CB -0.377 41.743 42.059 0.103 0.000 1.178 486 L HN 0.022 nan 8.230 nan 0.000 0.473 487 T N -0.474 114.117 114.554 0.063 0.000 2.807 487 T HA 0.533 4.883 4.350 -0.000 0.000 0.277 487 T C 1.048 175.779 174.700 0.052 0.000 1.006 487 T CA -0.678 61.456 62.100 0.056 0.000 1.006 487 T CB 1.371 70.264 68.868 0.042 0.000 1.274 487 T HN 0.479 nan 8.240 nan 0.000 0.569 488 R N 0.811 121.336 120.500 0.042 0.000 2.112 488 R HA -0.139 4.201 4.340 -0.000 0.000 0.242 488 R C 1.710 178.026 176.300 0.027 0.000 1.137 488 R CA 2.461 58.583 56.100 0.037 0.000 0.944 488 R CB -1.318 28.998 30.300 0.026 0.000 0.857 488 R HN 0.778 nan 8.270 nan 0.000 0.435 489 D N -0.446 119.966 120.400 0.019 0.000 2.110 489 D HA -0.131 4.509 4.640 -0.000 0.000 0.202 489 D C 1.692 177.995 176.300 0.004 0.000 0.975 489 D CA 1.183 55.189 54.000 0.009 0.000 0.839 489 D CB -0.257 40.547 40.800 0.006 0.000 0.996 489 D HN 0.086 nan 8.370 nan 0.000 0.464 490 K N 1.515 121.921 120.400 0.010 0.000 2.074 490 K HA -0.131 4.189 4.320 -0.000 0.000 0.209 490 K C 2.219 178.818 176.600 -0.000 0.000 1.048 490 K CA 0.917 57.206 56.287 0.004 0.000 0.926 490 K CB -0.714 31.796 32.500 0.016 0.000 0.713 490 K HN 0.078 nan 8.250 nan 0.000 0.444 491 L N 0.029 121.264 121.223 0.019 0.000 2.083 491 L HA -0.107 4.233 4.340 -0.000 0.000 0.209 491 L C 2.375 179.235 176.870 -0.017 0.000 1.083 491 L CA 1.000 55.850 54.840 0.017 0.000 0.752 491 L CB -0.266 41.838 42.059 0.074 0.000 0.899 491 L HN 0.223 nan 8.230 nan 0.000 0.433 492 L N -1.195 120.022 121.223 -0.010 0.000 2.353 492 L HA -0.194 4.145 4.340 -0.000 0.000 0.220 492 L C 2.430 179.277 176.870 -0.039 0.000 1.133 492 L CA 0.730 55.556 54.840 -0.022 0.000 0.798 492 L CB -0.045 42.007 42.059 -0.012 0.000 0.922 492 L HN 0.262 nan 8.230 nan 0.000 0.445 493 S N -0.661 115.014 115.700 -0.041 0.000 2.362 493 S HA -0.142 4.328 4.470 -0.000 0.000 0.221 493 S C 1.745 176.301 174.600 -0.073 0.000 1.032 493 S CA 1.119 59.286 58.200 -0.056 0.000 0.973 493 S CB -0.120 63.048 63.200 -0.054 0.000 0.849 493 S HN 0.271 nan 8.310 nan 0.000 0.465 494 M N 1.766 121.319 119.600 -0.078 0.000 2.374 494 M HA 0.165 4.645 4.480 -0.000 0.000 0.264 494 M C 0.914 177.147 176.300 -0.112 0.000 1.067 494 M CA 0.155 55.394 55.300 -0.102 0.000 1.103 494 M CB -0.759 31.775 32.600 -0.111 0.000 1.402 494 M HN 0.225 nan 8.290 nan 0.000 0.444 495 A N 2.119 124.880 122.820 -0.097 0.000 2.561 495 A HA 0.197 4.517 4.320 -0.000 0.000 0.234 495 A C -2.024 175.507 177.584 -0.088 0.000 1.055 495 A CA -0.933 51.047 52.037 -0.095 0.000 0.756 495 A CB -1.018 17.940 19.000 -0.071 0.000 0.986 495 A HN 0.219 nan 8.150 nan 0.000 0.505 496 P HA 0.073 nan 4.420 nan 0.000 0.271 496 P C -1.013 176.250 177.300 -0.062 0.000 1.220 496 P CA 0.111 63.163 63.100 -0.079 0.000 0.768 496 P CB 0.661 32.315 31.700 -0.077 0.000 0.848 497 Q N 3.000 122.764 119.800 -0.059 0.000 2.503 497 Q HA 0.305 4.645 4.340 -0.000 0.000 0.227 497 Q C -0.285 175.690 176.000 -0.041 0.000 1.109 497 Q CA 0.189 55.963 55.803 -0.048 0.000 0.922 497 Q CB 0.935 29.643 28.738 -0.051 0.000 1.249 497 Q HN 0.540 nan 8.270 nan 0.000 0.530 498 E N 0.023 120.202 120.200 -0.035 0.000 2.352 498 E HA 0.414 4.764 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 -0.442 55.941 56.400 -0.028 0.000 0.765 498 E CB 1.573 31.256 29.700 -0.029 0.000 1.219 498 E HN 0.469 nan 8.360 nan 0.000 0.434 499 A N 1.180 123.989 122.820 -0.018 0.000 2.206 499 A HA -0.038 4.282 4.320 -0.000 0.000 0.211 499 A C 1.498 179.075 177.584 -0.011 0.000 1.158 499 A CA 0.991 53.019 52.037 -0.014 0.000 0.761 499 A CB -0.319 18.674 19.000 -0.012 0.000 0.801 499 A HN 0.547 nan 8.150 nan 0.000 0.473 500 T N -0.223 114.324 114.554 -0.012 0.000 3.118 500 T HA 0.243 4.593 4.350 -0.000 0.000 0.260 500 T C -0.026 174.669 174.700 -0.009 0.000 1.139 500 T CA 0.482 62.577 62.100 -0.009 0.000 1.085 500 T CB -0.295 68.567 68.868 -0.009 0.000 0.934 500 T HN 0.155 nan 8.240 nan 0.000 0.518 501 L N 1.620 122.836 121.223 -0.012 0.000 2.333 501 L HA 0.420 4.760 4.340 -0.000 0.000 0.280 501 L C -0.247 176.617 176.870 -0.010 0.000 1.004 501 L CA -0.962 53.871 54.840 -0.012 0.000 0.820 501 L CB 1.453 43.501 42.059 -0.018 0.000 1.247 501 L HN -0.120 nan 8.230 nan 0.000 0.416 502 D N 2.141 122.537 120.400 -0.006 0.000 2.368 502 D HA -0.029 4.611 4.640 -0.000 0.000 0.268 502 D C 1.114 177.410 176.300 -0.007 0.000 1.298 502 D CA 0.324 54.321 54.000 -0.005 0.000 0.938 502 D CB 0.857 41.657 40.800 -0.001 0.000 1.101 502 D HN 0.389 nan 8.370 nan 0.000 0.509 503 Q N 3.079 122.874 119.800 -0.008 0.000 2.217 503 Q HA -0.273 4.067 4.340 -0.000 0.000 0.209 503 Q C 1.742 177.738 176.000 -0.006 0.000 0.988 503 Q CA 1.668 57.465 55.803 -0.010 0.000 0.878 503 Q CB -0.282 28.450 28.738 -0.010 0.000 0.909 503 Q HN 0.696 nan 8.270 nan 0.000 0.424 504 A N 0.732 123.550 122.820 -0.003 0.000 1.872 504 A HA 0.003 4.323 4.320 -0.000 0.000 0.214 504 A C 2.362 179.947 177.584 0.001 0.000 1.187 504 A CA 1.653 53.690 52.037 -0.000 0.000 0.614 504 A CB -0.686 18.314 19.000 0.001 0.000 0.826 504 A HN 0.372 nan 8.150 nan 0.000 0.442 505 A N -0.304 122.517 122.820 0.001 0.000 1.908 505 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 505 A C 2.220 179.805 177.584 0.002 0.000 1.181 505 A CA 1.940 53.980 52.037 0.004 0.000 0.627 505 A CB -1.078 17.924 19.000 0.004 0.000 0.818 505 A HN 0.432 nan 8.150 nan 0.000 0.445 506 V N -0.383 119.529 119.914 -0.005 0.000 2.282 506 V HA -0.270 3.850 4.120 -0.000 0.000 0.249 506 V C 2.776 178.868 176.094 -0.004 0.000 1.057 506 V CA 2.408 64.702 62.300 -0.011 0.000 1.032 506 V CB -1.096 30.715 31.823 -0.019 0.000 0.645 506 V HN 0.666 nan 8.190 nan 0.000 0.447 507 S N 0.322 116.022 115.700 -0.000 0.000 2.365 507 S HA -0.268 4.202 4.470 -0.000 0.000 0.225 507 S C 1.951 176.560 174.600 0.016 0.000 1.039 507 S CA 2.069 60.273 58.200 0.006 0.000 1.033 507 S CB -0.542 62.660 63.200 0.005 0.000 0.887 507 S HN 0.696 nan 8.310 nan 0.000 0.447 508 N N 1.734 120.443 118.700 0.016 0.000 2.104 508 N HA -0.086 4.654 4.740 -0.000 0.000 0.190 508 N C 1.965 177.497 175.510 0.036 0.000 1.024 508 N CA 1.391 54.455 53.050 0.023 0.000 0.853 508 N CB -0.899 37.599 38.487 0.019 0.000 1.008 508 N HN 0.530 nan 8.380 nan 0.000 0.424 509 A N 1.259 124.097 122.820 0.031 0.000 1.865 509 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 509 A C 2.591 180.219 177.584 0.073 0.000 1.191 509 A CA 1.736 53.799 52.037 0.043 0.000 0.623 509 A CB -0.947 18.058 19.000 0.008 0.000 0.826 509 A HN 0.110 nan 8.150 nan 0.000 0.444 510 V N 0.734 120.677 119.914 0.047 0.000 2.332 510 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 510 V C 2.211 178.374 176.094 0.114 0.000 1.055 510 V CA 2.337 64.680 62.300 0.073 0.000 1.038 510 V CB -0.915 30.928 31.823 0.034 0.000 0.651 510 V HN 0.524 nan 8.190 nan 0.000 0.450 511 D N 0.543 120.988 120.400 0.075 0.000 2.097 511 D HA -0.119 4.521 4.640 -0.000 0.000 0.195 511 D C 2.221 178.566 176.300 0.075 0.000 0.989 511 D CA 1.791 55.829 54.000 0.063 0.000 0.827 511 D CB -0.383 40.440 40.800 0.038 0.000 0.966 511 D HN 0.495 nan 8.370 nan 0.000 0.456 512 G N 0.542 109.394 108.800 0.087 0.000 2.459 512 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.217 512 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.217 512 G C 1.502 176.479 174.900 0.128 0.000 1.183 512 G CA 0.378 45.530 45.100 0.087 0.000 0.776 512 G HN 0.189 nan 8.290 nan 0.000 0.552 513 F N 0.970 120.938 119.950 0.030 0.000 2.069 513 F HA -0.082 4.445 4.527 -0.000 0.000 0.298 513 F C 2.415 178.252 175.800 0.063 0.000 1.113 513 F CA 1.545 59.582 58.000 0.061 0.000 1.214 513 F CB -0.544 38.481 39.000 0.042 0.000 0.978 513 F HN 0.110 nan 8.300 nan 0.000 0.474 514 L N 0.447 121.742 121.223 0.119 0.000 2.081 514 L HA -0.085 4.255 4.340 -0.000 0.000 0.212 514 L C 2.409 179.246 176.870 -0.055 0.000 1.080 514 L CA 2.200 57.050 54.840 0.016 0.000 0.754 514 L CB -1.459 40.640 42.059 0.067 0.000 0.893 514 L HN 0.235 nan 8.230 nan 0.000 0.433 515 G N -1.059 107.719 108.800 -0.037 0.000 2.434 515 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.214 515 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.214 515 G C 1.751 176.578 174.900 -0.122 0.000 1.202 515 G CA 0.677 45.740 45.100 -0.060 0.000 0.788 515 G HN 0.411 nan 8.290 nan 0.000 0.539 516 R N -0.156 120.247 120.500 -0.162 0.000 2.193 516 R HA 0.138 4.478 4.340 -0.000 0.000 0.229 516 R C 2.403 178.465 176.300 -0.395 0.000 1.110 516 R CA 0.743 56.680 56.100 -0.272 0.000 0.988 516 R CB -0.299 29.829 30.300 -0.285 0.000 0.871 516 R HN 0.417 nan 8.270 nan 0.000 0.458 517 L N 0.263 121.285 121.223 -0.335 0.000 2.109 517 L HA -0.095 4.245 4.340 -0.000 0.000 0.207 517 L C 2.080 178.861 176.870 -0.147 0.000 1.086 517 L CA 1.556 56.236 54.840 -0.267 0.000 0.760 517 L CB -0.145 41.739 42.059 -0.292 0.000 0.910 517 L HN 0.339 nan 8.230 nan 0.000 0.437 518 S N -1.294 114.336 115.700 -0.117 0.000 2.522 518 S HA -0.014 4.456 4.470 -0.000 0.000 0.227 518 S C 1.638 176.192 174.600 -0.076 0.000 0.986 518 S CA 0.309 58.471 58.200 -0.064 0.000 0.929 518 S CB -0.089 63.084 63.200 -0.044 0.000 0.769 518 S HN 0.435 nan 8.310 nan 0.000 0.529 519 L N -0.063 121.086 121.223 -0.122 0.000 2.362 519 L HA 0.326 4.666 4.340 -0.000 0.000 0.204 519 L C 2.767 179.559 176.870 -0.131 0.000 1.060 519 L CA 0.753 55.522 54.840 -0.118 0.000 0.827 519 L CB -0.320 41.659 42.059 -0.134 0.000 1.027 519 L HN 0.254 nan 8.230 nan 0.000 0.474 520 E N 0.836 120.911 120.200 -0.209 0.000 2.152 520 E HA -0.102 4.247 4.350 -0.000 0.000 0.192 520 E C 1.049 177.592 176.600 -0.095 0.000 0.983 520 E CA 0.727 57.003 56.400 -0.207 0.000 0.818 520 E CB 0.257 29.680 29.700 -0.462 0.000 0.758 520 E HN 0.095 nan 8.360 nan 0.000 0.467 521 R N 0.503 120.963 120.500 -0.067 0.000 2.407 521 R HA 0.250 4.590 4.340 -0.000 0.000 0.303 521 R C -0.505 175.805 176.300 0.017 0.000 0.981 521 R CA -0.368 55.740 56.100 0.014 0.000 0.905 521 R CB 0.834 31.175 30.300 0.068 0.000 1.099 521 R HN -0.000 nan 8.270 nan 0.000 0.459 522 E N 1.649 121.866 120.200 0.028 0.000 2.281 522 E HA 0.107 4.457 4.350 -0.000 0.000 0.257 522 E C -0.395 176.208 176.600 0.003 0.000 0.971 522 E CA -0.861 55.545 56.400 0.010 0.000 0.839 522 E CB 1.393 31.095 29.700 0.003 0.000 1.238 522 E HN 0.628 nan 8.360 nan 0.000 0.412 523 D N 0.396 120.776 120.400 -0.034 0.000 2.289 523 D HA -0.062 4.578 4.640 -0.000 0.000 0.207 523 D C 1.427 177.620 176.300 -0.180 0.000 0.966 523 D CA 0.558 54.495 54.000 -0.105 0.000 0.868 523 D CB 0.441 41.183 40.800 -0.095 0.000 0.943 523 D HN 0.270 nan 8.370 nan 0.000 0.514 524 R N 0.673 121.127 120.500 -0.077 0.000 2.299 524 R HA 0.015 4.355 4.340 -0.000 0.000 0.197 524 R C 0.716 176.958 176.300 -0.097 0.000 0.971 524 R CA 0.231 56.313 56.100 -0.030 0.000 1.030 524 R CB -0.724 29.679 30.300 0.172 0.000 0.932 524 R HN -0.026 nan 8.270 nan 0.000 0.477 525 D N 1.859 122.225 120.400 -0.056 0.000 2.354 525 D HA -0.064 4.576 4.640 -0.000 0.000 0.216 525 D C 1.009 177.304 176.300 -0.008 0.000 0.970 525 D CA 1.387 55.388 54.000 0.002 0.000 0.905 525 D CB 0.198 41.036 40.800 0.063 0.000 0.903 525 D HN 0.449 nan 8.370 nan 0.000 0.508 526 A N -1.671 121.059 122.820 -0.150 0.000 2.545 526 A HA 0.163 4.483 4.320 -0.000 0.000 0.263 526 A C 1.209 178.505 177.584 -0.479 0.000 1.202 526 A CA -0.596 51.329 52.037 -0.186 0.000 0.959 526 A CB -0.699 18.256 19.000 -0.076 0.000 1.124 526 A HN 0.253 nan 8.150 nan 0.000 0.543 527 W N 0.094 121.004 121.300 -0.650 0.000 2.538 527 W HA -0.132 4.528 4.660 -0.000 0.000 0.254 527 W C 2.021 178.307 176.519 -0.388 0.000 1.249 527 W CA 1.146 58.087 57.345 -0.674 0.000 1.253 527 W CB 0.208 29.345 29.460 -0.538 0.000 1.130 527 W HN 0.509 nan 8.180 nan 0.000 0.618 528 H N -0.565 118.570 119.070 0.107 0.000 2.344 528 H HA 0.084 4.640 4.556 -0.000 0.000 0.307 528 H C 1.003 176.395 175.328 0.107 0.000 1.057 528 H CA 0.603 56.713 56.048 0.103 0.000 1.373 528 H CB -0.984 28.816 29.762 0.064 0.000 1.421 528 H HN -0.093 nan 8.280 nan 0.000 0.532 529 L N 3.251 124.603 121.223 0.215 0.000 2.747 529 L HA -0.111 4.229 4.340 -0.000 0.000 0.286 529 L C -1.147 175.838 176.870 0.193 0.000 1.216 529 L CA -0.682 54.265 54.840 0.178 0.000 0.930 529 L CB 0.094 42.254 42.059 0.169 0.000 1.216 529 L HN 0.100 nan 8.230 nan 0.000 0.486 530 P HA -0.236 nan 4.420 nan 0.000 0.216 530 P C 1.273 178.654 177.300 0.135 0.000 1.153 530 P CA 1.709 64.893 63.100 0.140 0.000 0.858 530 P CB 0.192 31.952 31.700 0.100 0.000 0.789 531 A N -2.020 120.868 122.820 0.114 0.000 2.067 531 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 531 A C 2.107 179.736 177.584 0.075 0.000 1.158 531 A CA 0.911 52.993 52.037 0.076 0.000 0.661 531 A CB -1.802 17.228 19.000 0.050 0.000 0.801 531 A HN 0.133 nan 8.150 nan 0.000 0.452 532 Y N 1.473 121.768 120.300 -0.008 0.000 2.102 532 Y HA -0.322 4.228 4.550 -0.000 0.000 0.280 532 Y C 1.957 177.793 175.900 -0.106 0.000 1.178 532 Y CA 2.482 60.528 58.100 -0.090 0.000 1.146 532 Y CB -0.256 38.115 38.460 -0.147 0.000 0.968 532 Y HN 0.369 nan 8.280 nan 0.000 0.504 533 K N -1.142 119.320 120.400 0.104 0.000 2.520 533 K HA -0.135 4.185 4.320 -0.000 0.000 0.197 533 K C 1.371 177.947 176.600 -0.042 0.000 1.043 533 K CA 0.960 57.288 56.287 0.068 0.000 0.944 533 K CB -0.473 32.125 32.500 0.164 0.000 0.770 533 K HN 0.324 nan 8.250 nan 0.000 0.480 534 c N 0.617 119.164 118.600 -0.088 0.000 2.855 534 c HA 0.188 4.758 4.570 -0.000 0.000 0.279 534 c C 0.429 174.435 174.090 -0.139 0.000 1.270 534 c CA -0.727 55.549 56.329 -0.089 0.000 1.702 534 c CB -0.605 41.872 42.510 -0.056 0.000 1.949 534 c HN 0.019 nan 8.230 nan 0.000 0.618 535 V N 2.000 121.771 119.914 -0.237 0.000 2.347 535 V HA 0.241 4.361 4.120 -0.000 0.000 0.280 535 V C 0.220 176.177 176.094 -0.227 0.000 1.021 535 V CA -0.015 62.140 62.300 -0.242 0.000 0.847 535 V CB 1.109 32.736 31.823 -0.326 0.000 0.990 535 V HN 0.239 nan 8.190 nan 0.000 0.444 536 D N 3.086 123.395 120.400 -0.152 0.000 2.096 536 D HA -0.018 4.622 4.640 -0.000 0.000 0.207 536 D C 1.185 177.411 176.300 -0.125 0.000 0.976 536 D CA 1.272 55.200 54.000 -0.121 0.000 0.875 536 D CB 0.108 40.855 40.800 -0.089 0.000 1.009 536 D HN 0.405 nan 8.370 nan 0.000 0.449 537 R N 1.962 122.400 120.500 -0.104 0.000 3.268 537 R HA 0.144 4.484 4.340 -0.000 0.000 0.217 537 R C 1.292 177.524 176.300 -0.113 0.000 1.568 537 R CA -0.091 55.955 56.100 -0.091 0.000 1.322 537 R CB -0.198 30.067 30.300 -0.058 0.000 1.280 537 R HN 0.322 nan 8.270 nan 0.000 0.667 538 L N -0.680 120.443 121.223 -0.166 0.000 2.362 538 L HA -0.069 4.271 4.340 -0.000 0.000 0.219 538 L C 1.426 178.197 176.870 -0.165 0.000 1.134 538 L CA 1.137 55.847 54.840 -0.216 0.000 0.807 538 L CB -0.301 41.551 42.059 -0.344 0.000 0.927 538 L HN 0.289 nan 8.230 nan 0.000 0.447 539 D N 0.749 121.079 120.400 -0.116 0.000 2.269 539 D HA -0.190 4.450 4.640 -0.000 0.000 0.208 539 D C 0.987 177.259 176.300 -0.047 0.000 0.963 539 D CA 0.862 54.812 54.000 -0.084 0.000 0.864 539 D CB -0.203 40.561 40.800 -0.060 0.000 0.936 539 D HN 0.531 nan 8.370 nan 0.000 0.505 540 K N 1.002 121.382 120.400 -0.034 0.000 2.577 540 K HA 0.238 4.558 4.320 -0.000 0.000 0.210 540 K C -0.310 176.304 176.600 0.023 0.000 1.048 540 K CA -0.206 56.084 56.287 0.004 0.000 1.188 540 K CB 1.537 34.047 32.500 0.017 0.000 0.910 540 K HN 0.004 nan 8.250 nan 0.000 0.483 541 V N 2.364 122.283 119.914 0.008 0.000 2.383 541 V HA 0.115 4.235 4.120 -0.000 0.000 0.275 541 V C 1.423 177.600 176.094 0.139 0.000 1.036 541 V CA -0.242 62.089 62.300 0.053 0.000 0.889 541 V CB 1.155 32.977 31.823 -0.002 0.000 0.985 541 V HN 0.295 nan 8.190 nan 0.000 0.459 542 L N 4.487 125.796 121.223 0.144 0.000 2.049 542 L HA 0.214 4.554 4.340 -0.000 0.000 0.203 542 L C 0.753 177.747 176.870 0.207 0.000 1.074 542 L CA 1.341 56.270 54.840 0.150 0.000 0.749 542 L CB -0.066 42.043 42.059 0.083 0.000 0.907 542 L HN 0.737 nan 8.230 nan 0.000 0.439 543 M N -0.119 119.595 119.600 0.190 0.000 2.449 543 M HA 0.433 4.913 4.480 -0.000 0.000 0.291 543 M C -1.776 174.624 176.300 0.166 0.000 1.148 543 M CA -0.716 54.672 55.300 0.147 0.000 0.925 543 M CB 2.318 34.920 32.600 0.003 0.000 1.767 543 M HN 0.024 nan 8.290 nan 0.000 0.503 544 I N 1.173 121.855 120.570 0.187 0.000 2.412 544 I HA 0.641 4.811 4.170 -0.000 0.000 0.296 544 I C -1.190 175.004 176.117 0.127 0.000 0.987 544 I CA -0.951 60.459 61.300 0.183 0.000 1.180 544 I CB 1.689 39.827 38.000 0.230 0.000 1.340 544 I HN 0.758 nan 8.210 nan 0.000 0.455 545 I N 6.356 127.019 120.570 0.155 0.000 2.428 545 I HA 0.361 4.531 4.170 -0.000 0.000 0.279 545 I C -2.438 173.755 176.117 0.126 0.000 1.040 545 I CA -1.888 59.487 61.300 0.125 0.000 1.171 545 I CB 1.200 39.293 38.000 0.156 0.000 1.312 545 I HN 0.297 nan 8.210 nan 0.000 0.470 546 P HA 0.156 nan 4.420 nan 0.000 0.269 546 P C -0.529 176.760 177.300 -0.019 0.000 1.252 546 P CA -0.066 63.056 63.100 0.037 0.000 0.780 546 P CB 0.627 32.345 31.700 0.030 0.000 0.829 547 L N 3.702 124.956 121.223 0.051 0.000 2.492 547 L HA 0.392 4.732 4.340 -0.000 0.000 0.263 547 L C 1.748 178.676 176.870 0.095 0.000 1.062 547 L CA -0.553 54.334 54.840 0.077 0.000 0.817 547 L CB 0.148 42.347 42.059 0.233 0.000 1.441 547 L HN 0.263 nan 8.230 nan 0.000 0.493 548 I N 0.134 120.806 120.570 0.171 0.000 2.072 548 I HA -0.213 3.957 4.170 -0.000 0.000 0.235 548 I C 1.287 177.478 176.117 0.124 0.000 1.058 548 I CA 1.280 62.677 61.300 0.162 0.000 1.320 548 I CB -0.231 37.895 38.000 0.210 0.000 1.047 548 I HN 0.614 nan 8.210 nan 0.000 0.397 549 N N 0.069 118.849 118.700 0.134 0.000 2.299 549 N HA 0.103 4.843 4.740 -0.000 0.000 0.187 549 N C -0.040 175.503 175.510 0.056 0.000 1.099 549 N CA 0.399 53.506 53.050 0.095 0.000 0.867 549 N CB 1.048 39.599 38.487 0.107 0.000 0.974 549 N HN 0.307 nan 8.380 nan 0.000 0.477 550 V N -3.007 116.935 119.914 0.047 0.000 3.112 550 V HA 0.747 4.867 4.120 -0.000 0.000 0.310 550 V C -0.926 175.143 176.094 -0.042 0.000 1.364 550 V CA -0.835 61.439 62.300 -0.044 0.000 1.058 550 V CB 1.601 33.327 31.823 -0.162 0.000 1.079 550 V HN 0.066 nan 8.190 nan 0.000 0.463 551 T N -1.303 113.167 114.554 -0.140 0.000 3.293 551 T HA 0.669 5.019 4.350 -0.000 0.000 0.320 551 T C -1.177 173.446 174.700 -0.130 0.000 0.995 551 T CA -0.050 62.022 62.100 -0.047 0.000 1.041 551 T CB 0.657 69.534 68.868 0.016 0.000 1.058 551 T HN 0.616 nan 8.240 nan 0.000 0.453 552 F N 2.293 122.281 119.950 0.063 0.000 2.396 552 F HA 0.599 5.126 4.527 -0.000 0.000 0.343 552 F C 0.641 176.483 175.800 0.071 0.000 1.104 552 F CA -1.114 56.928 58.000 0.070 0.000 1.161 552 F CB 1.029 40.070 39.000 0.069 0.000 1.146 552 F HN 0.482 nan 8.300 nan 0.000 0.522 553 I N 5.285 126.001 120.570 0.243 0.000 2.437 553 I HA 0.248 4.418 4.170 -0.000 0.000 0.279 553 I C -0.947 175.280 176.117 0.182 0.000 1.028 553 I CA -0.574 60.828 61.300 0.170 0.000 1.142 553 I CB 0.903 38.955 38.000 0.087 0.000 1.266 553 I HN 0.318 nan 8.210 nan 0.000 0.461 554 I N 6.185 126.858 120.570 0.172 0.000 2.352 554 I HA 0.261 4.431 4.170 -0.000 0.000 0.290 554 I C 0.581 176.775 176.117 0.129 0.000 1.036 554 I CA 0.680 62.066 61.300 0.143 0.000 1.336 554 I CB 0.956 39.016 38.000 0.099 0.000 1.407 554 I HN 0.623 nan 8.210 nan 0.000 0.497 555 S N 2.510 118.296 115.700 0.144 0.000 2.656 555 S HA 0.491 4.961 4.470 -0.000 0.000 0.273 555 S C 0.067 174.774 174.600 0.178 0.000 1.168 555 S CA -0.264 58.016 58.200 0.134 0.000 0.817 555 S CB 1.379 64.645 63.200 0.110 0.000 1.146 555 S HN 0.476 nan 8.310 nan 0.000 0.475 556 S N -0.117 115.672 115.700 0.149 0.000 2.583 556 S HA 0.321 4.791 4.470 -0.000 0.000 0.239 556 S C -0.351 174.433 174.600 0.307 0.000 0.966 556 S CA -0.309 57.985 58.200 0.157 0.000 0.973 556 S CB -0.962 62.273 63.200 0.058 0.000 0.794 556 S HN 0.855 nan 8.310 nan 0.000 0.463 557 D N 0.694 121.304 120.400 0.350 0.000 2.934 557 D HA 0.167 4.807 4.640 -0.000 0.000 0.230 557 D C 0.081 176.312 176.300 -0.116 0.000 1.204 557 D CA -0.848 53.251 54.000 0.165 0.000 0.873 557 D CB 1.266 42.090 40.800 0.040 0.000 1.645 557 D HN 0.301 nan 8.370 nan 0.000 0.502 558 R N 0.677 120.879 120.500 -0.496 0.000 2.555 558 R HA 0.169 4.509 4.340 -0.000 0.000 0.272 558 R C -0.001 176.099 176.300 -0.334 0.000 1.089 558 R CA -0.305 55.354 56.100 -0.735 0.000 1.126 558 R CB 0.067 29.763 30.300 -1.006 0.000 1.250 558 R HN 0.231 nan 8.270 nan 0.000 0.551 559 E N 0.890 120.969 120.200 -0.202 0.000 2.318 559 E HA 0.030 4.380 4.350 -0.000 0.000 0.193 559 E C 0.519 177.047 176.600 -0.120 0.000 0.998 559 E CA 0.223 56.541 56.400 -0.136 0.000 0.859 559 E CB 0.223 29.863 29.700 -0.099 0.000 0.812 559 E HN 0.134 nan 8.360 nan 0.000 0.492 560 V N 3.525 123.369 119.914 -0.116 0.000 2.644 560 V HA -0.126 3.994 4.120 -0.000 0.000 0.305 560 V C 1.110 177.149 176.094 -0.092 0.000 1.053 560 V CA 0.569 62.812 62.300 -0.094 0.000 1.186 560 V CB -0.056 31.729 31.823 -0.064 0.000 0.895 560 V HN 0.251 nan 8.190 nan 0.000 0.490 561 R N 3.559 124.011 120.500 -0.079 0.000 4.306 561 R HA 0.447 4.787 4.340 -0.000 0.000 0.266 561 R C 0.687 176.952 176.300 -0.059 0.000 1.624 561 R CA 0.023 56.082 56.100 -0.069 0.000 1.487 561 R CB 0.057 30.322 30.300 -0.059 0.000 1.441 561 R HN 0.693 nan 8.270 nan 0.000 0.750 562 G N 0.463 109.227 108.800 -0.060 0.000 3.048 562 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.151 562 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.151 562 G C 0.441 175.307 174.900 -0.056 0.000 1.803 562 G CA -0.237 44.829 45.100 -0.057 0.000 1.047 562 G HN 0.312 nan 8.290 nan 0.000 0.513 563 S N -0.693 114.972 115.700 -0.058 0.000 2.564 563 S HA 0.612 5.082 4.470 -0.000 0.000 0.231 563 S C 0.531 175.094 174.600 -0.061 0.000 1.067 563 S CA 0.487 58.656 58.200 -0.052 0.000 0.908 563 S CB 0.678 63.851 63.200 -0.045 0.000 0.809 563 S HN 0.992 nan 8.310 nan 0.000 0.491 564 A N 0.675 123.453 122.820 -0.070 0.000 2.602 564 A HA 0.788 5.108 4.320 -0.000 0.000 0.290 564 A C -2.238 175.269 177.584 -0.129 0.000 1.114 564 A CA -0.559 51.402 52.037 -0.126 0.000 0.683 564 A CB 1.028 19.920 19.000 -0.180 0.000 1.281 564 A HN 0.182 nan 8.150 nan 0.000 0.416 565 L N 0.516 121.617 121.223 -0.204 0.000 2.356 565 L HA 0.775 5.115 4.340 -0.000 0.000 0.277 565 L C -1.836 174.942 176.870 -0.154 0.000 0.996 565 L CA -0.250 54.515 54.840 -0.124 0.000 0.822 565 L CB 1.222 43.193 42.059 -0.146 0.000 1.256 565 L HN 0.633 nan 8.230 nan 0.000 0.413 566 Y N 2.671 123.064 120.300 0.154 0.000 2.468 566 Y HA 0.652 5.202 4.550 -0.000 0.000 0.342 566 Y C -0.282 175.759 175.900 0.235 0.000 1.021 566 Y CA -0.632 57.566 58.100 0.163 0.000 1.079 566 Y CB 1.973 40.516 38.460 0.139 0.000 1.226 566 Y HN 0.598 nan 8.280 nan 0.000 0.460 567 E N 1.663 122.066 120.200 0.340 0.000 2.278 567 E HA 0.721 5.071 4.350 -0.000 0.000 0.272 567 E C -1.436 175.180 176.600 0.026 0.000 0.890 567 E CA -0.831 55.651 56.400 0.138 0.000 0.770 567 E CB 1.311 31.098 29.700 0.146 0.000 1.212 567 E HN 0.784 nan 8.360 nan 0.000 0.415 568 A N 2.282 125.035 122.820 -0.112 0.000 2.386 568 A HA 0.224 4.544 4.320 -0.000 0.000 0.246 568 A C 1.081 178.624 177.584 -0.068 0.000 1.089 568 A CA 0.386 52.347 52.037 -0.126 0.000 0.790 568 A CB 0.463 19.216 19.000 -0.412 0.000 1.042 568 A HN 0.814 nan 8.150 nan 0.000 0.497 569 S N 0.050 115.751 115.700 0.000 0.000 2.453 569 S HA -0.033 4.437 4.470 -0.000 0.000 0.231 569 S C 1.076 175.717 174.600 0.069 0.000 1.005 569 S CA 1.073 59.289 58.200 0.026 0.000 0.949 569 S CB -0.654 62.558 63.200 0.020 0.000 0.774 569 S HN 0.939 nan 8.310 nan 0.000 0.510 570 T N 2.774 117.401 114.554 0.120 0.000 2.901 570 T HA 0.324 4.674 4.350 -0.000 0.000 0.301 570 T C 0.840 175.580 174.700 0.067 0.000 1.012 570 T CA 0.605 62.822 62.100 0.195 0.000 1.135 570 T CB 0.671 69.722 68.868 0.305 0.000 0.936 570 T HN 0.484 nan 8.240 nan 0.000 0.539 571 T N 2.040 116.643 114.554 0.081 0.000 3.209 571 T HA 0.184 4.534 4.350 -0.000 0.000 0.295 571 T C 1.178 175.861 174.700 -0.029 0.000 0.977 571 T CA -0.371 61.714 62.100 -0.024 0.000 0.922 571 T CB -0.464 68.361 68.868 -0.071 0.000 1.152 571 T HN 0.623 nan 8.240 nan 0.000 0.527 572 Y N 1.966 122.264 120.300 -0.003 0.000 2.207 572 Y HA 0.131 4.681 4.550 -0.000 0.000 0.287 572 Y C 1.124 177.013 175.900 -0.018 0.000 1.156 572 Y CA 0.479 58.578 58.100 -0.001 0.000 1.182 572 Y CB -0.519 37.949 38.460 0.013 0.000 0.979 572 Y HN 0.216 nan 8.280 nan 0.000 0.521 573 L N -0.831 120.467 121.223 0.126 0.000 2.473 573 L HA -0.056 4.284 4.340 -0.000 0.000 0.265 573 L C 1.677 178.554 176.870 0.011 0.000 1.243 573 L CA 0.552 55.421 54.840 0.048 0.000 0.822 573 L CB -0.022 42.040 42.059 0.006 0.000 1.101 573 L HN -0.080 nan 8.230 nan 0.000 0.507 574 S N -0.957 114.745 115.700 0.004 0.000 2.351 574 S HA -0.124 4.346 4.470 -0.000 0.000 0.220 574 S C 0.922 175.512 174.600 -0.016 0.000 1.035 574 S CA 1.555 59.752 58.200 -0.004 0.000 1.031 574 S CB -0.174 63.026 63.200 0.001 0.000 0.928 574 S HN 0.683 nan 8.310 nan 0.000 0.433 575 S N 0.229 115.915 115.700 -0.023 0.000 2.667 575 S HA 0.563 5.033 4.470 -0.000 0.000 0.292 575 S C 0.222 174.762 174.600 -0.101 0.000 1.108 575 S CA -0.820 57.358 58.200 -0.036 0.000 0.992 575 S CB 1.137 64.333 63.200 -0.006 0.000 1.269 575 S HN 0.304 nan 8.310 nan 0.000 0.528 576 S N 0.519 116.110 115.700 -0.182 0.000 2.713 576 S HA 0.573 5.043 4.470 -0.000 0.000 0.283 576 S C -1.019 173.286 174.600 -0.492 0.000 1.161 576 S CA -0.516 57.435 58.200 -0.414 0.000 0.999 576 S CB 0.786 63.544 63.200 -0.738 0.000 1.039 576 S HN 0.409 nan 8.310 nan 0.000 0.548 577 L N 2.569 123.451 121.223 -0.568 0.000 2.313 577 L HA 0.541 4.881 4.340 -0.000 0.000 0.273 577 L C -1.669 174.948 176.870 -0.422 0.000 1.028 577 L CA -0.106 54.486 54.840 -0.413 0.000 0.871 577 L CB -0.543 41.277 42.059 -0.399 0.000 1.242 577 L HN 0.403 nan 8.230 nan 0.000 0.434 578 F N 4.457 124.396 119.950 -0.019 0.000 2.403 578 F HA 0.609 5.136 4.527 -0.000 0.000 0.326 578 F C -0.110 175.727 175.800 0.063 0.000 1.081 578 F CA -0.682 57.334 58.000 0.026 0.000 1.041 578 F CB 1.317 40.332 39.000 0.025 0.000 1.234 578 F HN 0.135 nan 8.300 nan 0.000 0.503 579 L N 1.694 123.140 121.223 0.371 0.000 2.471 579 L HA 0.337 4.677 4.340 -0.000 0.000 0.263 579 L C -0.817 176.271 176.870 0.363 0.000 0.985 579 L CA -0.136 54.906 54.840 0.336 0.000 0.868 579 L CB 1.464 43.709 42.059 0.311 0.000 1.203 579 L HN 0.461 nan 8.230 nan 0.000 0.429 580 S N 4.736 120.592 115.700 0.260 0.000 2.420 580 S HA 0.478 4.948 4.470 -0.000 0.000 0.313 580 S C -2.486 172.169 174.600 0.092 0.000 1.079 580 S CA -1.048 57.240 58.200 0.146 0.000 1.104 580 S CB 1.054 64.284 63.200 0.051 0.000 0.969 580 S HN 0.285 nan 8.310 nan 0.000 0.471 581 P HA 0.318 nan 4.420 nan 0.000 0.301 581 P C -0.982 176.180 177.300 -0.231 0.000 1.338 581 P CA -0.592 62.295 63.100 -0.355 0.000 0.834 581 P CB 1.307 32.684 31.700 -0.538 0.000 0.967 582 V N 6.429 126.209 119.914 -0.224 0.000 2.304 582 V HA 0.185 4.305 4.120 -0.000 0.000 0.262 582 V C 1.107 177.127 176.094 -0.123 0.000 1.061 582 V CA -0.667 61.559 62.300 -0.124 0.000 0.872 582 V CB 0.480 32.261 31.823 -0.070 0.000 1.077 582 V HN 0.564 nan 8.190 nan 0.000 0.480 583 I N 5.785 126.297 120.570 -0.097 0.000 2.648 583 I HA 0.123 4.293 4.170 -0.000 0.000 0.284 583 I C 1.009 177.110 176.117 -0.026 0.000 1.153 583 I CA -0.093 61.169 61.300 -0.063 0.000 1.426 583 I CB 0.525 38.503 38.000 -0.037 0.000 1.381 583 I HN 0.776 nan 8.210 nan 0.000 0.571 584 M N 6.047 125.643 119.600 -0.007 0.000 2.503 584 M HA -0.331 4.149 4.480 -0.000 0.000 0.199 584 M C 0.600 176.908 176.300 0.014 0.000 0.466 584 M CA 1.055 56.362 55.300 0.013 0.000 0.510 584 M CB -2.158 30.451 32.600 0.017 0.000 1.858 584 M HN 0.882 nan 8.290 nan 0.000 0.799 585 N N -0.765 117.939 118.700 0.005 0.000 2.644 585 N HA -0.262 4.478 4.740 -0.000 0.000 0.248 585 N C -0.356 175.167 175.510 0.022 0.000 1.150 585 N CA 1.517 54.577 53.050 0.017 0.000 0.727 585 N CB -0.640 37.870 38.487 0.038 0.000 1.091 585 N HN 0.814 nan 8.380 nan 0.000 0.556 586 K N -0.332 120.074 120.400 0.010 0.000 2.426 586 K HA 0.606 4.926 4.320 -0.000 0.000 0.254 586 K C -0.250 176.349 176.600 -0.001 0.000 0.936 586 K CA -0.985 55.310 56.287 0.013 0.000 0.801 586 K CB 1.321 33.831 32.500 0.016 0.000 1.139 586 K HN 0.143 nan 8.250 nan 0.000 0.424 587 c N 0.723 119.322 118.600 -0.002 0.000 2.365 587 c HA 0.742 5.312 4.570 -0.000 0.000 0.349 587 c C 0.611 174.693 174.090 -0.013 0.000 1.191 587 c CA -0.834 55.486 56.329 -0.015 0.000 2.114 587 c CB 0.641 43.138 42.510 -0.022 0.000 2.367 587 c HN 0.913 nan 8.230 nan 0.000 0.530 588 S N 1.592 117.279 115.700 -0.021 0.000 2.672 588 S HA 0.448 4.918 4.470 -0.000 0.000 0.276 588 S C -0.410 174.176 174.600 -0.024 0.000 1.207 588 S CA -0.607 57.581 58.200 -0.020 0.000 1.002 588 S CB 0.547 63.733 63.200 -0.024 0.000 0.998 588 S HN 0.930 nan 8.310 nan 0.000 0.542 589 Q N 0.692 120.480 119.800 -0.020 0.000 2.286 589 Q HA 0.507 4.847 4.340 -0.000 0.000 0.267 589 Q C 0.526 176.508 176.000 -0.030 0.000 1.028 589 Q CA -0.304 55.486 55.803 -0.022 0.000 0.901 589 Q CB -0.136 28.593 28.738 -0.016 0.000 1.183 589 Q HN 1.449 nan 8.270 nan 0.000 0.392 590 G N 1.095 109.874 108.800 -0.036 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 -0.471 174.396 174.900 -0.056 0.000 1.285 590 G CA -0.545 44.528 45.100 -0.044 0.000 0.800 590 G HN 1.061 nan 8.290 nan 0.000 0.611 591 A N 0.674 123.453 122.820 -0.068 0.000 2.280 591 A HA 0.832 5.152 4.320 -0.000 0.000 0.268 591 A C 1.190 178.723 177.584 -0.085 0.000 1.111 591 A CA 0.320 52.305 52.037 -0.088 0.000 0.814 591 A CB 0.372 19.305 19.000 -0.112 0.000 1.093 591 A HN 2.084 nan 8.150 nan 0.000 0.498 592 V N 0.101 119.954 119.914 -0.102 0.000 3.287 592 V HA 0.355 4.475 4.120 -0.000 0.000 0.306 592 V C 1.349 177.391 176.094 -0.087 0.000 1.103 592 V CA -0.021 62.221 62.300 -0.095 0.000 1.159 592 V CB -0.022 31.732 31.823 -0.115 0.000 1.036 592 V HN 1.179 nan 8.190 nan 0.000 0.487 593 A N 2.200 124.977 122.820 -0.071 0.000 2.364 593 A HA 0.525 4.845 4.320 -0.000 0.000 0.258 593 A C 1.030 178.577 177.584 -0.061 0.000 1.131 593 A CA 0.290 52.292 52.037 -0.058 0.000 0.800 593 A CB -0.608 18.364 19.000 -0.046 0.000 1.086 593 A HN 1.335 nan 8.150 nan 0.000 0.508 594 G N -1.831 106.942 108.800 -0.046 0.000 2.614 594 G HA2 0.433 4.393 3.960 -0.000 0.000 0.239 594 G HA3 0.433 4.393 3.960 -0.000 0.000 0.239 594 G C -0.084 174.798 174.900 -0.030 0.000 1.240 594 G CA 0.857 45.934 45.100 -0.037 0.000 0.842 594 G HN 1.346 nan 8.290 nan 0.000 0.584 595 E N -0.464 119.727 120.200 -0.015 0.000 6.993 595 E HA -0.124 4.226 4.350 -0.000 0.000 0.276 595 E C -2.350 174.247 176.600 -0.006 0.000 1.113 595 E CA 0.102 56.503 56.400 0.002 0.000 1.400 595 E CB -0.735 28.964 29.700 -0.001 0.000 0.936 595 E HN 0.406 nan 8.360 nan 0.000 0.285 596 P HA 0.198 nan 4.420 nan 0.000 0.274 596 P C -0.524 176.779 177.300 0.004 0.000 1.237 596 P CA -0.419 62.694 63.100 0.023 0.000 0.793 596 P CB 0.563 32.358 31.700 0.159 0.000 0.977 597 R N 1.703 122.158 120.500 -0.075 0.000 2.340 597 R HA 0.132 4.472 4.340 -0.000 0.000 0.300 597 R C -0.057 176.296 176.300 0.089 0.000 1.069 597 R CA -0.184 55.868 56.100 -0.080 0.000 0.984 597 R CB 0.338 30.445 30.300 -0.322 0.000 1.003 597 R HN 0.502 nan 8.270 nan 0.000 0.459 598 Q N 3.871 123.746 119.800 0.126 0.000 2.293 598 Q HA 0.205 4.545 4.340 -0.000 0.000 0.251 598 Q C -0.186 175.952 176.000 0.230 0.000 0.930 598 Q CA -0.328 55.573 55.803 0.163 0.000 0.893 598 Q CB 1.507 30.299 28.738 0.090 0.000 1.215 598 Q HN 0.538 nan 8.270 nan 0.000 0.425 599 I N 5.155 125.840 120.570 0.192 0.000 2.494 599 I HA 0.062 4.232 4.170 -0.000 0.000 0.289 599 I C -1.666 174.480 176.117 0.049 0.000 1.106 599 I CA -1.542 59.815 61.300 0.095 0.000 1.369 599 I CB -0.057 37.949 38.000 0.010 0.000 1.410 599 I HN 0.339 nan 8.210 nan 0.000 0.523 600 P HA 0.141 nan 4.420 nan 0.000 0.275 600 P C -1.049 176.243 177.300 -0.013 0.000 1.227 600 P CA -0.410 62.703 63.100 0.021 0.000 0.781 600 P CB 0.762 32.481 31.700 0.032 0.000 0.906 601 K N 2.982 123.367 120.400 -0.026 0.000 2.172 601 K HA 0.565 4.885 4.320 -0.000 0.000 0.276 601 K C 0.022 176.575 176.600 -0.078 0.000 1.013 601 K CA -0.614 55.645 56.287 -0.047 0.000 0.913 601 K CB 1.112 33.585 32.500 -0.045 0.000 1.055 601 K HN 0.461 nan 8.250 nan 0.000 0.461 602 I N 1.999 122.504 120.570 -0.107 0.000 2.545 602 I HA 0.148 4.318 4.170 -0.000 0.000 0.292 602 I C 0.293 176.274 176.117 -0.226 0.000 1.040 602 I CA -0.486 60.706 61.300 -0.179 0.000 1.068 602 I CB 2.135 40.003 38.000 -0.220 0.000 1.251 602 I HN 0.617 nan 8.210 nan 0.000 0.424 603 Q N 2.568 122.217 119.800 -0.251 0.000 2.103 603 Q HA 0.200 4.540 4.340 -0.000 0.000 0.219 603 Q C 0.965 176.823 176.000 -0.236 0.000 0.784 603 Q CA -0.240 55.411 55.803 -0.252 0.000 1.014 603 Q CB 0.772 29.386 28.738 -0.206 0.000 1.183 603 Q HN 0.582 nan 8.270 nan 0.000 0.469 604 N N 0.956 119.459 118.700 -0.328 0.000 2.022 604 N HA -0.078 4.662 4.740 -0.000 0.000 0.194 604 N C 0.212 175.612 175.510 -0.183 0.000 1.057 604 N CA 1.041 53.903 53.050 -0.313 0.000 0.849 604 N CB -0.182 38.024 38.487 -0.468 0.000 1.044 604 N HN 0.073 nan 8.380 nan 0.000 0.424 605 F N 1.494 121.452 119.950 0.013 0.000 2.637 605 F HA -0.062 4.465 4.527 -0.000 0.000 0.372 605 F C 1.441 177.242 175.800 0.001 0.000 1.107 605 F CA -0.198 57.830 58.000 0.047 0.000 1.325 605 F CB -0.629 38.479 39.000 0.180 0.000 1.016 605 F HN -0.030 nan 8.300 nan 0.000 0.593 606 T N 1.016 115.691 114.554 0.203 0.000 2.929 606 T HA 0.482 4.832 4.350 -0.000 0.000 0.284 606 T C 1.177 175.930 174.700 0.088 0.000 1.014 606 T CA -1.066 61.092 62.100 0.096 0.000 1.051 606 T CB 1.745 70.647 68.868 0.057 0.000 1.028 606 T HN 0.542 nan 8.240 nan 0.000 0.485 607 R N 0.869 121.406 120.500 0.062 0.000 2.096 607 R HA -0.030 4.310 4.340 -0.000 0.000 0.229 607 R C 0.736 177.060 176.300 0.041 0.000 1.134 607 R CA 1.222 57.359 56.100 0.061 0.000 0.917 607 R CB -1.363 28.973 30.300 0.059 0.000 0.832 607 R HN 0.668 nan 8.270 nan 0.000 0.430 608 T N 2.704 117.272 114.554 0.024 0.000 2.871 608 T HA 0.026 4.376 4.350 -0.000 0.000 0.296 608 T C 0.118 174.807 174.700 -0.019 0.000 0.998 608 T CA 0.367 62.469 62.100 0.003 0.000 1.162 608 T CB 0.646 69.515 68.868 0.001 0.000 0.947 608 T HN 0.090 nan 8.240 nan 0.000 0.536 609 Q N 2.037 121.809 119.800 -0.046 0.000 2.323 609 Q HA 0.315 4.655 4.340 -0.000 0.000 0.271 609 Q C 0.663 176.609 176.000 -0.091 0.000 1.048 609 Q CA -0.663 55.086 55.803 -0.090 0.000 0.792 609 Q CB 2.515 31.155 28.738 -0.163 0.000 1.280 609 Q HN 0.656 nan 8.270 nan 0.000 0.441 610 K N 1.116 121.463 120.400 -0.087 0.000 1.975 610 K HA -0.010 4.310 4.320 -0.000 0.000 0.210 610 K C 0.829 177.370 176.600 -0.098 0.000 1.041 610 K CA 1.225 57.466 56.287 -0.077 0.000 0.942 610 K CB 0.111 32.574 32.500 -0.062 0.000 0.729 610 K HN 0.698 nan 8.250 nan 0.000 0.439 611 S N -0.590 115.038 115.700 -0.119 0.000 2.694 611 S HA 0.112 4.582 4.470 -0.000 0.000 0.278 611 S C 0.065 174.549 174.600 -0.195 0.000 1.152 611 S CA -0.992 57.126 58.200 -0.136 0.000 1.010 611 S CB 1.344 64.470 63.200 -0.123 0.000 1.104 611 S HN 0.386 nan 8.310 nan 0.000 0.547 612 C N 2.021 121.199 119.300 -0.202 0.000 2.262 612 C HA 0.445 4.905 4.460 -0.000 0.000 0.413 612 C C 1.622 176.402 174.990 -0.349 0.000 1.019 612 C CA -0.868 57.996 59.018 -0.256 0.000 1.320 612 C CB -2.897 24.717 27.740 -0.210 0.000 1.657 612 C HN 0.759 nan 8.230 nan 0.000 0.510 613 I N 2.781 123.052 120.570 -0.498 0.000 2.094 613 I HA -0.065 4.104 4.170 -0.000 0.000 0.234 613 I C 0.752 176.502 176.117 -0.612 0.000 1.063 613 I CA 1.496 62.425 61.300 -0.619 0.000 1.328 613 I CB -0.457 36.927 38.000 -1.027 0.000 1.058 613 I HN 0.417 nan 8.210 nan 0.000 0.400 614 F N 0.844 120.613 119.950 -0.302 0.000 2.659 614 F HA 0.167 4.694 4.527 -0.000 0.000 0.360 614 F C 1.154 176.700 175.800 -0.423 0.000 1.218 614 F CA -0.734 57.086 58.000 -0.300 0.000 1.317 614 F CB -1.085 37.936 39.000 0.034 0.000 1.697 614 F HN 0.109 nan 8.300 nan 0.000 0.637 615 C N 0.691 119.653 119.300 -0.563 0.000 3.529 615 C HA 0.182 4.642 4.460 -0.000 0.000 0.288 615 C C 2.823 177.609 174.990 -0.339 0.000 1.353 615 C CA 1.215 59.998 59.018 -0.392 0.000 1.705 615 C CB -0.786 26.747 27.740 -0.345 0.000 2.156 615 C HN 0.824 nan 8.230 nan 0.000 0.555 616 G N 0.143 108.758 108.800 -0.310 0.000 3.094 616 G HA2 0.135 4.095 3.960 -0.000 0.000 0.208 616 G HA3 0.135 4.095 3.960 -0.000 0.000 0.208 616 G C 0.295 175.468 174.900 0.455 0.000 1.189 616 G CA 0.238 45.376 45.100 0.064 0.000 0.856 616 G HN 0.296 nan 8.290 nan 0.000 0.510 617 F N 0.192 120.258 119.950 0.193 0.000 2.377 617 F HA 0.804 5.331 4.527 -0.000 0.000 0.335 617 F C 0.514 176.483 175.800 0.282 0.000 1.099 617 F CA -2.315 55.828 58.000 0.238 0.000 1.072 617 F CB 0.998 40.107 39.000 0.183 0.000 1.417 617 F HN 0.061 nan 8.300 nan 0.000 0.495 618 A N 0.461 123.535 122.820 0.425 0.000 2.515 618 A HA 0.751 5.071 4.320 -0.000 0.000 0.298 618 A C -1.610 176.064 177.584 0.150 0.000 1.059 618 A CA -0.632 51.593 52.037 0.313 0.000 0.698 618 A CB 1.394 20.572 19.000 0.297 0.000 1.289 618 A HN 0.644 nan 8.150 nan 0.000 0.404 619 L N 1.280 122.595 121.223 0.153 0.000 2.325 619 L HA 0.678 5.018 4.340 -0.000 0.000 0.278 619 L C -1.165 175.793 176.870 0.146 0.000 1.023 619 L CA -0.902 54.029 54.840 0.151 0.000 0.811 619 L CB 1.774 43.960 42.059 0.212 0.000 1.249 619 L HN 0.630 nan 8.230 nan 0.000 0.431 620 L N 2.979 124.277 121.223 0.125 0.000 2.446 620 L HA 0.403 4.743 4.340 -0.000 0.000 0.268 620 L C -0.334 176.589 176.870 0.089 0.000 0.975 620 L CA -0.064 54.833 54.840 0.095 0.000 0.848 620 L CB 1.836 43.922 42.059 0.044 0.000 1.225 620 L HN 0.607 nan 8.230 nan 0.000 0.410 621 S N 3.635 119.336 115.700 0.001 0.000 2.475 621 S HA 0.805 5.274 4.470 -0.000 0.000 0.298 621 S C -0.763 173.756 174.600 -0.135 0.000 1.119 621 S CA -0.523 57.533 58.200 -0.240 0.000 1.085 621 S CB 1.230 64.115 63.200 -0.526 0.000 1.028 621 S HN 0.550 nan 8.310 nan 0.000 0.489 622 Y N -0.621 119.557 120.300 -0.203 0.000 2.512 622 Y HA 0.748 5.298 4.550 -0.000 0.000 0.348 622 Y C -0.872 174.929 175.900 -0.165 0.000 0.990 622 Y CA -1.377 56.640 58.100 -0.138 0.000 1.033 622 Y CB 0.817 39.240 38.460 -0.062 0.000 1.259 622 Y HN 0.628 nan 8.280 nan 0.000 0.461 623 D N 1.847 122.238 120.400 -0.014 0.000 2.210 623 D HA 0.174 4.814 4.640 -0.000 0.000 0.249 623 D C 0.758 177.082 176.300 0.039 0.000 1.078 623 D CA -0.202 53.728 54.000 -0.116 0.000 0.875 623 D CB 1.473 42.185 40.800 -0.146 0.000 1.175 623 D HN 0.819 nan 8.370 nan 0.000 0.440 624 E N 1.812 121.979 120.200 -0.055 0.000 2.058 624 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 624 E C 1.251 177.765 176.600 -0.143 0.000 0.997 624 E CA 1.358 57.765 56.400 0.011 0.000 0.801 624 E CB 0.283 29.922 29.700 -0.102 0.000 0.746 624 E HN 0.430 nan 8.360 nan 0.000 0.450 625 K N 0.177 120.371 120.400 -0.344 0.000 2.005 625 K HA -0.033 4.287 4.320 -0.000 0.000 0.206 625 K C 0.999 177.543 176.600 -0.092 0.000 1.044 625 K CA 0.714 56.826 56.287 -0.291 0.000 0.942 625 K CB 0.022 32.282 32.500 -0.400 0.000 0.727 625 K HN -0.046 nan 8.250 nan 0.000 0.439 626 E N -0.385 119.753 120.200 -0.104 0.000 2.622 626 E HA 0.162 4.512 4.350 -0.000 0.000 0.255 626 E C 0.627 177.222 176.600 -0.009 0.000 1.313 626 E CA -0.026 56.342 56.400 -0.053 0.000 1.011 626 E CB 0.354 30.009 29.700 -0.074 0.000 1.173 626 E HN 0.238 nan 8.360 nan 0.000 0.601 627 G N -0.296 108.501 108.800 -0.006 0.000 2.711 627 G HA2 0.151 4.111 3.960 -0.000 0.000 0.186 627 G HA3 0.151 4.111 3.960 -0.000 0.000 0.186 627 G C -0.458 174.460 174.900 0.031 0.000 1.635 627 G CA -0.486 44.619 45.100 0.008 0.000 1.065 627 G HN 0.312 nan 8.290 nan 0.000 0.545 628 L N 0.715 121.952 121.223 0.024 0.000 2.305 628 L HA 0.278 4.618 4.340 -0.000 0.000 0.281 628 L C 1.180 178.050 176.870 -0.000 0.000 1.085 628 L CA -0.685 54.179 54.840 0.040 0.000 0.813 628 L CB 1.406 43.484 42.059 0.031 0.000 1.157 628 L HN 0.473 nan 8.230 nan 0.000 0.436 629 E N 1.834 122.020 120.200 -0.023 0.000 2.025 629 E HA 0.047 4.397 4.350 -0.000 0.000 0.198 629 E C 0.531 177.099 176.600 -0.053 0.000 0.955 629 E CA 0.919 57.276 56.400 -0.072 0.000 0.862 629 E CB 0.117 29.731 29.700 -0.144 0.000 0.837 629 E HN 0.722 nan 8.360 nan 0.000 0.488 630 T N -1.643 112.882 114.554 -0.049 0.000 2.907 630 T HA 0.525 4.875 4.350 -0.000 0.000 0.292 630 T C -0.300 174.439 174.700 0.066 0.000 1.043 630 T CA -0.762 61.343 62.100 0.010 0.000 1.003 630 T CB 2.255 71.145 68.868 0.037 0.000 1.084 630 T HN 0.034 nan 8.240 nan 0.000 0.483 631 T N 1.100 115.704 114.554 0.083 0.000 2.863 631 T HA 0.703 5.052 4.350 -0.000 0.000 0.285 631 T C -1.101 173.682 174.700 0.137 0.000 1.009 631 T CA -0.328 61.835 62.100 0.105 0.000 0.989 631 T CB 1.455 70.357 68.868 0.057 0.000 1.004 631 T HN 0.888 nan 8.240 nan 0.000 0.455 632 T N 3.704 118.358 114.554 0.168 0.000 2.916 632 T HA 0.398 4.748 4.350 -0.000 0.000 0.298 632 T C -1.787 173.079 174.700 0.277 0.000 1.031 632 T CA -0.469 61.745 62.100 0.191 0.000 0.993 632 T CB 1.084 69.973 68.868 0.035 0.000 1.045 632 T HN 0.606 nan 8.240 nan 0.000 0.454 633 Y N 3.467 123.900 120.300 0.222 0.000 2.402 633 Y HA 0.533 5.083 4.550 -0.000 0.000 0.332 633 Y C -0.134 175.886 175.900 0.200 0.000 0.960 633 Y CA -1.195 57.034 58.100 0.215 0.000 1.228 633 Y CB 0.409 39.002 38.460 0.222 0.000 1.120 633 Y HN 0.595 nan 8.280 nan 0.000 0.491 634 I N 7.404 127.868 120.570 -0.177 0.000 2.455 634 I HA -0.056 4.114 4.170 -0.000 0.000 0.303 634 I C 1.444 177.264 176.117 -0.494 0.000 1.180 634 I CA 0.257 61.394 61.300 -0.272 0.000 1.469 634 I CB 0.162 38.084 38.000 -0.130 0.000 1.480 634 I HN 0.795 nan 8.210 nan 0.000 0.669 635 T N 1.635 115.910 114.554 -0.465 0.000 2.622 635 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 635 T C 0.934 175.472 174.700 -0.270 0.000 1.047 635 T CA 1.291 63.163 62.100 -0.382 0.000 1.159 635 T CB -0.122 68.625 68.868 -0.202 0.000 0.863 635 T HN 0.616 nan 8.240 nan 0.000 0.422 636 S N -0.629 114.933 115.700 -0.230 0.000 2.806 636 S HA 0.538 5.008 4.470 -0.000 0.000 0.306 636 S C 0.745 175.245 174.600 -0.167 0.000 1.167 636 S CA -0.449 57.648 58.200 -0.173 0.000 0.847 636 S CB 1.841 64.966 63.200 -0.124 0.000 1.216 636 S HN 0.223 nan 8.310 nan 0.000 0.532 637 Q N 1.476 121.193 119.800 -0.138 0.000 2.014 637 Q HA -0.234 4.106 4.340 -0.000 0.000 0.207 637 Q C 1.931 177.860 176.000 -0.118 0.000 0.993 637 Q CA 2.930 58.657 55.803 -0.127 0.000 0.850 637 Q CB -0.881 27.793 28.738 -0.106 0.000 0.916 637 Q HN 0.903 nan 8.270 nan 0.000 0.417 638 E N -1.038 119.096 120.200 -0.110 0.000 2.114 638 E HA -0.238 4.112 4.350 -0.000 0.000 0.199 638 E C 1.825 178.350 176.600 -0.125 0.000 1.008 638 E CA 1.937 58.274 56.400 -0.106 0.000 0.810 638 E CB -0.600 29.039 29.700 -0.101 0.000 0.739 638 E HN 0.289 nan 8.360 nan 0.000 0.456 639 V N 1.374 121.190 119.914 -0.165 0.000 2.307 639 V HA -0.299 3.821 4.120 -0.000 0.000 0.245 639 V C 2.759 178.765 176.094 -0.147 0.000 1.045 639 V CA 2.214 64.394 62.300 -0.199 0.000 1.024 639 V CB -0.946 30.698 31.823 -0.297 0.000 0.651 639 V HN 0.338 nan 8.190 nan 0.000 0.449 640 Q N 0.325 120.052 119.800 -0.121 0.000 2.135 640 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 640 Q C 2.136 178.119 176.000 -0.030 0.000 0.981 640 Q CA 1.991 57.760 55.803 -0.058 0.000 0.856 640 Q CB -0.138 28.556 28.738 -0.073 0.000 0.902 640 Q HN 0.694 nan 8.270 nan 0.000 0.425 641 N N 0.261 118.928 118.700 -0.054 0.000 2.142 641 N HA -0.106 4.634 4.740 -0.000 0.000 0.186 641 N C 1.654 177.152 175.510 -0.021 0.000 1.023 641 N CA 1.507 54.537 53.050 -0.033 0.000 0.852 641 N CB -0.191 38.267 38.487 -0.047 0.000 0.998 641 N HN 0.306 nan 8.380 nan 0.000 0.424 642 S N -0.016 115.655 115.700 -0.049 0.000 2.803 642 S HA 0.141 4.611 4.470 -0.000 0.000 0.226 642 S C 1.514 176.092 174.600 -0.037 0.000 0.962 642 S CA 0.203 58.377 58.200 -0.044 0.000 0.968 642 S CB -0.378 62.777 63.200 -0.074 0.000 0.786 642 S HN 0.258 nan 8.310 nan 0.000 0.527 643 I N -0.841 119.718 120.570 -0.019 0.000 4.228 643 I HA 0.185 4.355 4.170 -0.000 0.000 0.298 643 I C 1.602 177.821 176.117 0.169 0.000 1.206 643 I CA 0.138 61.426 61.300 -0.020 0.000 1.322 643 I CB 0.093 37.997 38.000 -0.160 0.000 1.411 643 I HN 0.203 nan 8.210 nan 0.000 0.454 644 L N 0.822 122.158 121.223 0.187 0.000 2.313 644 L HA -0.022 4.318 4.340 -0.000 0.000 0.214 644 L C 2.571 179.531 176.870 0.150 0.000 1.119 644 L CA 1.156 56.138 54.840 0.237 0.000 0.809 644 L CB -0.469 41.692 42.059 0.171 0.000 0.933 644 L HN 0.309 nan 8.230 nan 0.000 0.449 645 S N -0.867 114.890 115.700 0.095 0.000 2.387 645 S HA -0.012 4.458 4.470 -0.000 0.000 0.221 645 S C 1.364 176.003 174.600 0.065 0.000 1.041 645 S CA 0.222 58.459 58.200 0.061 0.000 0.959 645 S CB -0.474 62.744 63.200 0.030 0.000 0.843 645 S HN 0.429 nan 8.310 nan 0.000 0.488 646 S N 2.373 118.115 115.700 0.070 0.000 2.617 646 S HA 0.253 4.723 4.470 -0.000 0.000 0.255 646 S C 0.278 174.927 174.600 0.082 0.000 1.318 646 S CA -0.607 57.632 58.200 0.065 0.000 0.978 646 S CB -0.206 63.033 63.200 0.064 0.000 0.961 646 S HN 0.423 nan 8.310 nan 0.000 0.582 647 N N 0.371 119.101 118.700 0.051 0.000 2.597 647 N HA 0.093 4.833 4.740 -0.000 0.000 0.269 647 N C 0.176 175.675 175.510 -0.020 0.000 1.204 647 N CA -0.011 53.045 53.050 0.011 0.000 0.947 647 N CB -0.363 38.111 38.487 -0.021 0.000 1.258 647 N HN 0.703 nan 8.380 nan 0.000 0.508 648 Y N 0.523 120.748 120.300 -0.125 0.000 2.274 648 Y HA -0.047 4.503 4.550 -0.000 0.000 0.290 648 Y C -0.040 175.570 175.900 -0.484 0.000 1.145 648 Y CA 1.119 59.058 58.100 -0.270 0.000 1.203 648 Y CB -0.001 38.249 38.460 -0.349 0.000 0.984 648 Y HN -0.089 nan 8.280 nan 0.000 0.533 649 F N 0.409 120.124 119.950 -0.391 0.000 2.399 649 F HA 0.356 4.883 4.527 -0.000 0.000 0.328 649 F C -0.121 175.184 175.800 -0.826 0.000 1.084 649 F CA -0.766 56.644 58.000 -0.983 0.000 1.053 649 F CB 1.155 39.494 39.000 -1.102 0.000 1.209 649 F HN -0.188 nan 8.300 nan 0.000 0.502 650 D N 1.591 121.579 120.400 -0.686 0.000 2.934 650 D HA 0.156 4.796 4.640 -0.000 0.000 0.249 650 D C -0.078 176.117 176.300 -0.176 0.000 1.293 650 D CA -0.236 53.556 54.000 -0.348 0.000 0.812 650 D CB -0.281 40.450 40.800 -0.114 0.000 1.439 650 D HN 0.177 nan 8.370 nan 0.000 0.555 651 F N 0.091 120.080 119.950 0.065 0.000 2.451 651 F HA 0.082 4.609 4.527 -0.000 0.000 0.299 651 F C 1.678 177.499 175.800 0.036 0.000 1.101 651 F CA 0.282 58.327 58.000 0.076 0.000 1.436 651 F CB -0.128 38.886 39.000 0.023 0.000 1.074 651 F HN 0.200 nan 8.300 nan 0.000 0.553 652 D N 0.674 121.142 120.400 0.112 0.000 2.504 652 D HA -0.023 4.617 4.640 -0.000 0.000 0.243 652 D C 0.051 176.353 176.300 0.004 0.000 1.203 652 D CA 0.371 54.404 54.000 0.054 0.000 0.847 652 D CB -0.476 40.339 40.800 0.025 0.000 0.973 652 D HN 0.165 nan 8.370 nan 0.000 0.490 653 N N 1.457 120.160 118.700 0.004 0.000 2.594 653 N HA 0.009 4.749 4.740 -0.000 0.000 0.280 653 N C 0.839 176.278 175.510 -0.118 0.000 1.156 653 N CA -0.435 52.576 53.050 -0.065 0.000 0.831 653 N CB 1.027 39.480 38.487 -0.057 0.000 1.379 653 N HN -0.142 nan 8.380 nan 0.000 0.536 654 L N 2.373 123.484 121.223 -0.188 0.000 2.191 654 L HA -0.113 4.227 4.340 -0.000 0.000 0.212 654 L C 1.731 178.398 176.870 -0.339 0.000 1.103 654 L CA 1.294 56.003 54.840 -0.218 0.000 0.769 654 L CB -0.875 41.054 42.059 -0.217 0.000 0.908 654 L HN 0.598 nan 8.230 nan 0.000 0.438 655 H N -0.804 118.105 119.070 -0.268 0.000 2.389 655 H HA 0.071 4.627 4.556 -0.000 0.000 0.299 655 H C 0.584 175.602 175.328 -0.517 0.000 1.081 655 H CA 0.356 56.198 56.048 -0.345 0.000 1.345 655 H CB -0.032 29.573 29.762 -0.261 0.000 1.393 655 H HN 0.042 nan 8.280 nan 0.000 0.520 656 V N 2.381 122.057 119.914 -0.396 0.000 2.539 656 V HA 0.176 4.296 4.120 -0.000 0.000 0.292 656 V C 0.148 175.784 176.094 -0.763 0.000 1.045 656 V CA -0.567 61.388 62.300 -0.575 0.000 0.945 656 V CB 1.885 33.435 31.823 -0.454 0.000 0.993 656 V HN 0.341 nan 8.190 nan 0.000 0.464 657 H N 2.598 121.224 119.070 -0.739 0.000 2.797 657 H HA 0.554 5.110 4.556 -0.000 0.000 0.372 657 H C -1.558 173.339 175.328 -0.717 0.000 1.168 657 H CA -0.613 55.070 56.048 -0.609 0.000 1.163 657 H CB 1.924 31.201 29.762 -0.809 0.000 1.778 657 H HN 0.571 nan 8.280 nan 0.000 0.551 658 Y N 1.285 121.632 120.300 0.077 0.000 2.326 658 Y HA 0.281 4.831 4.550 -0.000 0.000 0.331 658 Y C -0.470 175.518 175.900 0.148 0.000 0.962 658 Y CA -0.737 57.447 58.100 0.140 0.000 1.167 658 Y CB 1.253 39.940 38.460 0.378 0.000 1.148 658 Y HN 0.242 nan 8.280 nan 0.000 0.463 659 L N 3.888 125.241 121.223 0.217 0.000 2.334 659 L HA 0.580 4.920 4.340 -0.000 0.000 0.270 659 L C -1.049 175.857 176.870 0.060 0.000 1.018 659 L CA -0.892 54.017 54.840 0.114 0.000 0.811 659 L CB 1.644 43.745 42.059 0.071 0.000 1.271 659 L HN 0.524 nan 8.230 nan 0.000 0.443 660 L N 2.963 124.157 121.223 -0.050 0.000 2.404 660 L HA 0.548 4.888 4.340 -0.000 0.000 0.272 660 L C -1.380 175.344 176.870 -0.244 0.000 0.980 660 L CA -0.150 54.624 54.840 -0.112 0.000 0.836 660 L CB 1.190 43.166 42.059 -0.138 0.000 1.238 660 L HN 0.357 nan 8.230 nan 0.000 0.408 661 L N 4.752 125.789 121.223 -0.310 0.000 2.272 661 L HA 0.586 4.926 4.340 -0.000 0.000 0.289 661 L C 0.689 177.400 176.870 -0.265 0.000 1.032 661 L CA -0.511 53.993 54.840 -0.561 0.000 0.810 661 L CB 1.392 42.751 42.059 -1.168 0.000 1.205 661 L HN 0.714 nan 8.230 nan 0.000 0.422 662 T N -2.491 111.889 114.554 -0.289 0.000 2.884 662 T HA 0.185 4.535 4.350 -0.000 0.000 0.277 662 T C 1.332 176.052 174.700 0.034 0.000 0.976 662 T CA 0.014 61.692 62.100 -0.704 0.000 0.956 662 T CB 1.301 69.539 68.868 -1.050 0.000 1.113 662 T HN 0.688 nan 8.240 nan 0.000 0.554 663 T N -0.874 113.786 114.554 0.175 0.000 2.929 663 T HA -0.021 4.329 4.350 -0.000 0.000 0.271 663 T C 0.690 175.501 174.700 0.185 0.000 1.085 663 T CA 0.345 62.641 62.100 0.326 0.000 1.125 663 T CB -0.669 68.444 68.868 0.409 0.000 0.874 663 T HN 0.604 nan 8.240 nan 0.000 0.494 664 N N 1.348 120.123 118.700 0.125 0.000 2.495 664 N HA 0.405 5.145 4.740 -0.000 0.000 0.280 664 N C 0.960 176.554 175.510 0.139 0.000 1.168 664 N CA -0.237 52.875 53.050 0.103 0.000 0.978 664 N CB 0.902 39.445 38.487 0.092 0.000 1.191 664 N HN 0.293 nan 8.380 nan 0.000 0.497 665 G N -0.220 108.634 108.800 0.090 0.000 3.229 665 G HA2 -0.057 3.902 3.960 -0.000 0.000 0.214 665 G HA3 -0.057 3.902 3.960 -0.000 0.000 0.214 665 G C 0.455 175.575 174.900 0.367 0.000 1.256 665 G CA 0.194 45.363 45.100 0.115 0.000 1.042 665 G HN 0.645 nan 8.290 nan 0.000 0.497 666 T N -2.535 112.210 114.554 0.318 0.000 2.907 666 T HA 0.661 5.011 4.350 -0.000 0.000 0.284 666 T C -0.529 174.199 174.700 0.046 0.000 1.004 666 T CA -0.779 61.481 62.100 0.267 0.000 1.063 666 T CB 2.575 71.528 68.868 0.142 0.000 0.992 666 T HN -0.037 nan 8.240 nan 0.000 0.483 667 V N 3.839 123.561 119.914 -0.319 0.000 2.925 667 V HA 0.752 4.872 4.120 -0.000 0.000 0.311 667 V C -0.231 175.640 176.094 -0.372 0.000 1.104 667 V CA -1.044 60.935 62.300 -0.535 0.000 0.954 667 V CB 1.784 33.017 31.823 -0.984 0.000 1.022 667 V HN 1.166 nan 8.190 nan 0.000 0.427 668 M N 1.209 120.678 119.600 -0.218 0.000 2.465 668 M HA 0.693 5.173 4.480 -0.000 0.000 0.284 668 M C -1.077 175.199 176.300 -0.039 0.000 1.212 668 M CA -0.620 54.622 55.300 -0.097 0.000 0.910 668 M CB 2.488 35.072 32.600 -0.025 0.000 1.725 668 M HN 0.616 nan 8.290 nan 0.000 0.477 669 E N 1.820 122.015 120.200 -0.008 0.000 2.283 669 E HA 0.721 5.071 4.350 -0.000 0.000 0.271 669 E C -1.612 175.016 176.600 0.047 0.000 1.031 669 E CA -0.672 55.755 56.400 0.045 0.000 0.868 669 E CB 1.585 31.297 29.700 0.020 0.000 1.094 669 E HN 0.693 nan 8.360 nan 0.000 0.401 670 I N 1.713 122.356 120.570 0.122 0.000 2.693 670 I HA 0.553 4.723 4.170 -0.000 0.000 0.303 670 I C -0.304 175.733 176.117 -0.132 0.000 1.025 670 I CA -0.703 60.606 61.300 0.016 0.000 1.086 670 I CB 2.033 40.080 38.000 0.078 0.000 1.268 670 I HN 0.638 nan 8.210 nan 0.000 0.440 671 A N 3.703 126.160 122.820 -0.604 0.000 3.124 671 A HA 0.621 4.941 4.320 -0.000 0.000 0.204 671 A C -0.307 176.545 177.584 -1.220 0.000 1.231 671 A CA -0.079 51.245 52.037 -1.189 0.000 1.295 671 A CB -0.140 18.612 19.000 -0.414 0.000 1.221 671 A HN 0.882 nan 8.150 nan 0.000 0.744 672 G N 0.000 108.036 108.800 -1.273 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 44.755 45.100 -0.574 0.000 0.502 672 G HN 0.000 nan 8.290 nan 0.000 0.925