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_E 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 0.000 176.685 176.870 -0.308 0.000 1.165 20 L CA 0.000 54.856 54.840 0.026 0.000 0.813 20 L CB 0.000 42.092 42.059 0.055 0.000 0.961 21 S N 1.288 116.452 115.700 -0.894 0.000 3.561 21 S HA -0.099 4.371 4.470 -0.000 0.000 0.318 21 S C -0.186 173.851 174.600 -0.939 0.000 1.181 21 S CA 1.342 58.889 58.200 -1.089 0.000 0.916 21 S CB -1.325 61.585 63.200 -0.483 0.000 0.966 21 S HN 0.756 nan 8.310 nan 0.000 0.550 22 E N -0.685 118.958 120.200 -0.928 0.000 2.537 22 E HA 0.503 4.853 4.350 -0.000 0.000 0.301 22 E C -1.184 175.358 176.600 -0.097 0.000 0.990 22 E CA -0.335 55.799 56.400 -0.443 0.000 0.828 22 E CB 2.065 31.619 29.700 -0.243 0.000 1.243 22 E HN 0.118 nan 8.360 nan 0.000 0.414 23 V N 2.448 122.366 119.914 0.007 0.000 3.048 23 V HA 0.494 4.614 4.120 -0.000 0.000 0.303 23 V C -0.846 175.274 176.094 0.042 0.000 1.214 23 V CA -0.820 61.556 62.300 0.126 0.000 0.984 23 V CB 2.694 34.705 31.823 0.313 0.000 1.054 23 V HN 0.496 nan 8.190 nan 0.000 0.430 24 K N 3.355 123.759 120.400 0.006 0.000 2.545 24 K HA 0.644 4.964 4.320 -0.000 0.000 0.252 24 K C -1.460 175.025 176.600 -0.192 0.000 0.948 24 K CA -0.556 55.678 56.287 -0.089 0.000 0.827 24 K CB 1.519 33.961 32.500 -0.097 0.000 1.128 24 K HN 0.599 nan 8.250 nan 0.000 0.429 25 L N 3.888 124.999 121.223 -0.186 0.000 2.395 25 L HA 0.323 4.663 4.340 -0.000 0.000 0.269 25 L C -0.137 176.479 176.870 -0.424 0.000 1.133 25 L CA -0.524 54.223 54.840 -0.157 0.000 0.812 25 L CB 0.747 42.814 42.059 0.013 0.000 1.125 25 L HN 0.613 nan 8.230 nan 0.000 0.452 26 H N 4.536 123.572 119.070 -0.057 0.000 2.917 26 H HA 0.354 4.910 4.556 -0.000 0.000 0.279 26 H C -0.258 175.025 175.328 -0.076 0.000 1.211 26 H CA -0.349 55.576 56.048 -0.205 0.000 1.534 26 H CB 1.138 30.765 29.762 -0.226 0.000 1.581 26 H HN 0.425 nan 8.280 nan 0.000 0.510 27 L N 1.441 122.712 121.223 0.080 0.000 2.600 27 L HA 0.286 4.626 4.340 -0.000 0.000 0.221 27 L C 0.336 177.273 176.870 0.112 0.000 1.197 27 L CA -0.030 54.887 54.840 0.128 0.000 0.838 27 L CB 0.508 42.701 42.059 0.224 0.000 1.474 27 L HN 0.470 nan 8.230 nan 0.000 0.514 28 D N 0.338 120.807 120.400 0.115 0.000 2.492 28 D HA 0.286 4.926 4.640 -0.000 0.000 0.229 28 D C -0.462 175.897 176.300 0.099 0.000 1.345 28 D CA -0.141 53.922 54.000 0.106 0.000 0.912 28 D CB 0.731 41.577 40.800 0.076 0.000 1.526 28 D HN 0.197 nan 8.370 nan 0.000 0.505 29 I N 0.063 120.705 120.570 0.119 0.000 3.437 29 I HA 0.008 4.178 4.170 -0.000 0.000 0.274 29 I C 1.084 177.260 176.117 0.098 0.000 1.215 29 I CA -0.220 61.141 61.300 0.101 0.000 1.215 29 I CB 0.403 38.466 38.000 0.106 0.000 1.441 29 I HN 0.052 nan 8.210 nan 0.000 0.677 30 E N 1.911 122.161 120.200 0.083 0.000 2.037 30 E HA 0.221 4.571 4.350 -0.000 0.000 0.253 30 E C 0.599 177.267 176.600 0.115 0.000 1.265 30 E CA 1.186 57.632 56.400 0.077 0.000 0.972 30 E CB -0.438 29.297 29.700 0.058 0.000 1.054 30 E HN 0.779 nan 8.360 nan 0.000 0.432 31 G N 2.972 111.832 108.800 0.100 0.000 2.792 31 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.201 31 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.201 31 G C -0.318 174.586 174.900 0.006 0.000 1.322 31 G CA -0.533 44.618 45.100 0.084 0.000 0.910 31 G HN 0.537 nan 8.290 nan 0.000 0.535 32 H N 1.201 120.294 119.070 0.038 0.000 2.479 32 H HA 0.764 5.320 4.556 -0.000 0.000 0.335 32 H C 0.498 175.867 175.328 0.069 0.000 1.142 32 H CA 0.354 56.428 56.048 0.044 0.000 1.234 32 H CB 1.724 31.508 29.762 0.036 0.000 1.503 32 H HN 0.677 nan 8.280 nan 0.000 0.510 33 A N 2.311 125.241 122.820 0.184 0.000 2.269 33 A HA 0.449 4.769 4.320 -0.000 0.000 0.302 33 A C -0.192 177.559 177.584 0.278 0.000 1.266 33 A CA -0.540 51.624 52.037 0.211 0.000 0.894 33 A CB 0.052 19.196 19.000 0.240 0.000 1.147 33 A HN 0.637 nan 8.150 nan 0.000 0.537 34 S N 1.284 117.121 115.700 0.228 0.000 2.585 34 S HA 0.527 4.997 4.470 -0.000 0.000 0.277 34 S C -0.746 173.935 174.600 0.135 0.000 1.241 34 S CA -0.260 58.022 58.200 0.137 0.000 1.041 34 S CB 0.457 63.733 63.200 0.128 0.000 0.987 34 S HN 0.718 nan 8.310 nan 0.000 0.512 35 H N 1.119 119.983 119.070 -0.343 0.000 2.970 35 H HA 0.437 4.993 4.556 -0.000 0.000 0.315 35 H C -1.503 173.541 175.328 -0.474 0.000 0.992 35 H CA -0.300 55.586 56.048 -0.271 0.000 1.363 35 H CB 0.327 30.017 29.762 -0.119 0.000 1.532 35 H HN 0.488 nan 8.280 nan 0.000 0.514 36 Y N 0.943 121.225 120.300 -0.031 0.000 2.409 36 Y HA 0.433 4.983 4.550 -0.000 0.000 0.343 36 Y C 0.266 176.119 175.900 -0.079 0.000 0.973 36 Y CA -1.030 57.052 58.100 -0.030 0.000 1.064 36 Y CB 1.979 40.428 38.460 -0.019 0.000 1.207 36 Y HN 0.502 nan 8.280 nan 0.000 0.452 37 T N 1.315 115.928 114.554 0.098 0.000 2.791 37 T HA 0.659 5.009 4.350 -0.000 0.000 0.288 37 T C -0.622 174.112 174.700 0.057 0.000 0.999 37 T CA -0.589 61.530 62.100 0.031 0.000 0.952 37 T CB 0.172 69.042 68.868 0.003 0.000 0.938 37 T HN 0.503 nan 8.240 nan 0.000 0.444 38 I N 5.279 125.887 120.570 0.063 0.000 2.310 38 I HA 0.295 4.465 4.170 -0.000 0.000 0.287 38 I C -2.388 173.785 176.117 0.094 0.000 1.073 38 I CA -2.474 58.882 61.300 0.093 0.000 1.216 38 I CB 1.356 39.432 38.000 0.126 0.000 1.415 38 I HN 0.391 nan 8.210 nan 0.000 0.480 39 P HA 0.050 nan 4.420 nan 0.000 0.256 39 P C 0.646 177.900 177.300 -0.077 0.000 1.689 39 P CA -0.436 62.589 63.100 -0.125 0.000 1.124 39 P CB -0.057 31.577 31.700 -0.110 0.000 1.766 40 W N 1.632 122.911 121.300 -0.034 0.000 2.721 40 W HA -0.060 4.600 4.660 -0.000 0.000 0.245 40 W C 0.991 177.495 176.519 -0.025 0.000 1.276 40 W CA 0.710 58.037 57.345 -0.031 0.000 1.342 40 W CB -2.024 27.412 29.460 -0.041 0.000 1.135 40 W HN 0.178 nan 8.180 nan 0.000 0.654 41 T N 1.115 115.480 114.554 -0.314 0.000 2.777 41 T HA -0.261 4.089 4.350 -0.000 0.000 0.266 41 T C 1.759 176.405 174.700 -0.091 0.000 1.040 41 T CA 2.207 64.147 62.100 -0.266 0.000 1.141 41 T CB -0.183 68.453 68.868 -0.388 0.000 0.868 41 T HN 0.306 nan 8.240 nan 0.000 0.444 42 E N -0.261 119.893 120.200 -0.076 0.000 2.158 42 E HA -0.019 4.331 4.350 -0.000 0.000 0.191 42 E C 2.352 178.958 176.600 0.010 0.000 0.982 42 E CA 0.503 56.885 56.400 -0.031 0.000 0.823 42 E CB -0.181 29.499 29.700 -0.033 0.000 0.766 42 E HN 0.534 nan 8.360 nan 0.000 0.468 43 L N 0.406 121.652 121.223 0.039 0.000 2.046 43 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 43 L C 2.756 179.668 176.870 0.070 0.000 1.077 43 L CA 1.135 56.013 54.840 0.064 0.000 0.747 43 L CB -0.330 41.790 42.059 0.102 0.000 0.896 43 L HN 0.288 nan 8.230 nan 0.000 0.432 44 M N -0.871 118.786 119.600 0.095 0.000 2.267 44 M HA -0.210 4.270 4.480 -0.000 0.000 0.263 44 M C 2.347 178.682 176.300 0.057 0.000 1.063 44 M CA 1.662 57.017 55.300 0.092 0.000 1.090 44 M CB -0.488 32.188 32.600 0.126 0.000 1.392 44 M HN 0.347 nan 8.290 nan 0.000 0.422 45 A N 0.352 123.195 122.820 0.039 0.000 1.874 45 A HA -0.092 4.228 4.320 -0.000 0.000 0.214 45 A C 2.063 179.663 177.584 0.026 0.000 1.189 45 A CA 1.239 53.291 52.037 0.026 0.000 0.615 45 A CB -0.307 18.701 19.000 0.013 0.000 0.830 45 A HN 0.369 nan 8.150 nan 0.000 0.443 46 K N -0.718 119.697 120.400 0.026 0.000 2.486 46 K HA 0.156 4.476 4.320 -0.000 0.000 0.194 46 K C -0.604 176.013 176.600 0.028 0.000 1.033 46 K CA 0.210 56.511 56.287 0.023 0.000 1.004 46 K CB 0.161 32.673 32.500 0.020 0.000 0.798 46 K HN 0.322 nan 8.250 nan 0.000 0.495 47 V N 1.577 121.512 119.914 0.035 0.000 2.680 47 V HA 0.145 4.265 4.120 -0.000 0.000 0.309 47 V C -1.680 174.438 176.094 0.040 0.000 1.052 47 V CA -1.423 60.899 62.300 0.037 0.000 0.908 47 V CB 1.788 33.634 31.823 0.039 0.000 1.001 47 V HN -0.020 nan 8.190 nan 0.000 0.431 48 P HA 0.074 nan 4.420 nan 0.000 0.210 48 P C 1.346 178.668 177.300 0.037 0.000 1.173 48 P CA 1.207 64.331 63.100 0.039 0.000 0.898 48 P CB 0.412 32.137 31.700 0.042 0.000 0.758 49 G N 0.246 109.067 108.800 0.035 0.000 2.776 49 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.209 49 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.209 49 G C 0.747 175.664 174.900 0.028 0.000 1.145 49 G CA -0.258 44.860 45.100 0.030 0.000 0.791 49 G HN 0.225 nan 8.290 nan 0.000 0.530 50 L N 2.832 124.073 121.223 0.031 0.000 2.454 50 L HA 0.265 4.604 4.340 -0.000 0.000 0.284 50 L C 0.085 176.973 176.870 0.031 0.000 1.139 50 L CA -0.440 54.415 54.840 0.025 0.000 0.911 50 L CB 0.479 42.559 42.059 0.035 0.000 1.262 50 L HN 0.130 nan 8.230 nan 0.000 0.453 51 S N 4.238 119.946 115.700 0.015 0.000 2.328 51 S HA 0.340 4.810 4.470 -0.000 0.000 0.204 51 S C -1.429 173.155 174.600 -0.027 0.000 1.475 51 S CA -1.197 57.011 58.200 0.013 0.000 1.148 51 S CB 0.817 64.031 63.200 0.023 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 1.280 178.475 177.300 -0.176 0.000 1.151 52 P CA 1.324 64.305 63.100 -0.199 0.000 0.849 52 P CB 0.236 31.675 31.700 -0.433 0.000 0.787 53 E N -0.033 120.071 120.200 -0.160 0.000 2.097 53 E HA -0.170 4.180 4.350 -0.000 0.000 0.196 53 E C 2.184 178.811 176.600 0.045 0.000 1.000 53 E CA 1.649 58.006 56.400 -0.072 0.000 0.804 53 E CB -0.805 28.877 29.700 -0.030 0.000 0.740 53 E HN 0.254 nan 8.360 nan 0.000 0.454 54 A N 0.835 123.678 122.820 0.039 0.000 1.855 54 A HA -0.106 4.214 4.320 -0.000 0.000 0.215 54 A C 2.458 180.100 177.584 0.097 0.000 1.191 54 A CA 1.096 53.174 52.037 0.068 0.000 0.613 54 A CB -0.804 18.230 19.000 0.056 0.000 0.829 54 A HN 0.211 nan 8.150 nan 0.000 0.442 55 L N -1.415 119.851 121.223 0.072 0.000 2.079 55 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 55 L C 2.632 179.589 176.870 0.145 0.000 1.081 55 L CA 1.596 56.482 54.840 0.077 0.000 0.752 55 L CB -0.525 41.475 42.059 -0.098 0.000 0.896 55 L HN 0.800 nan 8.230 nan 0.000 0.433 56 W N 1.303 122.567 121.300 -0.061 0.000 2.374 56 W HA -0.241 4.419 4.660 -0.000 0.000 0.288 56 W C 2.524 179.048 176.519 0.009 0.000 1.218 56 W CA 1.452 58.766 57.345 -0.052 0.000 1.245 56 W CB -0.002 29.375 29.460 -0.138 0.000 1.126 56 W HN 0.111 nan 8.180 nan 0.000 0.545 57 R N 1.001 121.546 120.500 0.076 0.000 2.127 57 R HA -0.055 4.285 4.340 -0.000 0.000 0.217 57 R C 2.142 178.434 176.300 -0.012 0.000 1.074 57 R CA 1.707 57.807 56.100 -0.000 0.000 0.991 57 R CB -0.809 29.538 30.300 0.079 0.000 0.895 57 R HN 0.149 nan 8.270 nan 0.000 0.450 58 E N 0.310 120.551 120.200 0.068 0.000 2.070 58 E HA -0.129 4.221 4.350 -0.000 0.000 0.197 58 E C 0.037 176.647 176.600 0.017 0.000 1.004 58 E CA 1.245 57.699 56.400 0.090 0.000 0.805 58 E CB -0.217 29.621 29.700 0.231 0.000 0.744 58 E HN 0.331 nan 8.360 nan 0.000 0.451 59 A N 2.322 125.161 122.820 0.031 0.000 2.437 59 A HA 0.072 4.392 4.320 -0.000 0.000 0.303 59 A C -0.084 177.376 177.584 -0.208 0.000 1.324 59 A CA -0.365 51.624 52.037 -0.080 0.000 0.983 59 A CB -0.057 18.959 19.000 0.027 0.000 1.142 59 A HN 0.042 nan 8.150 nan 0.000 0.541 60 N N 2.863 121.468 118.700 -0.158 0.000 2.360 60 N HA -0.024 4.716 4.740 -0.000 0.000 0.292 60 N C 1.454 176.831 175.510 -0.223 0.000 1.330 60 N CA 0.130 53.081 53.050 -0.164 0.000 1.009 60 N CB 0.490 38.916 38.487 -0.103 0.000 1.419 60 N HN 0.454 nan 8.380 nan 0.000 0.487 61 V N 1.846 121.555 119.914 -0.342 0.000 2.295 61 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 61 V C 2.139 178.125 176.094 -0.179 0.000 1.049 61 V CA 2.219 64.295 62.300 -0.374 0.000 1.024 61 V CB -1.143 30.325 31.823 -0.590 0.000 0.648 61 V HN 0.726 nan 8.190 nan 0.000 0.447 62 T N -1.453 113.029 114.554 -0.121 0.000 3.219 62 T HA 0.047 4.397 4.350 -0.000 0.000 0.249 62 T C 0.699 175.362 174.700 -0.061 0.000 1.099 62 T CA 0.039 62.103 62.100 -0.060 0.000 0.988 62 T CB -0.635 68.218 68.868 -0.025 0.000 0.999 62 T HN 0.607 nan 8.240 nan 0.000 0.550 63 E N 3.367 123.516 120.200 -0.084 0.000 2.168 63 E HA 0.063 4.413 4.350 -0.000 0.000 0.254 63 E C -0.405 176.154 176.600 -0.068 0.000 1.228 63 E CA -0.594 55.761 56.400 -0.076 0.000 0.956 63 E CB -0.306 29.337 29.700 -0.095 0.000 1.031 63 E HN 0.639 nan 8.360 nan 0.000 0.441 64 D N 2.845 123.215 120.400 -0.051 0.000 2.795 64 D HA -0.232 4.408 4.640 -0.000 0.000 0.221 64 D C 1.287 177.554 176.300 -0.054 0.000 1.108 64 D CA 0.122 54.095 54.000 -0.044 0.000 0.832 64 D CB 0.640 41.419 40.800 -0.034 0.000 1.183 64 D HN 0.488 nan 8.370 nan 0.000 0.503 65 L N 1.669 122.862 121.223 -0.051 0.000 2.113 65 L HA -0.397 3.943 4.340 -0.000 0.000 0.221 65 L C 2.337 179.171 176.870 -0.061 0.000 1.084 65 L CA 2.285 57.090 54.840 -0.057 0.000 0.787 65 L CB -0.495 41.536 42.059 -0.046 0.000 0.893 65 L HN 0.761 nan 8.230 nan 0.000 0.440 66 A N -1.664 121.125 122.820 -0.050 0.000 1.872 66 A HA -0.179 4.141 4.320 -0.000 0.000 0.214 66 A C 2.334 179.884 177.584 -0.057 0.000 1.187 66 A CA 1.693 53.702 52.037 -0.047 0.000 0.614 66 A CB -0.685 18.293 19.000 -0.037 0.000 0.826 66 A HN 0.454 nan 8.150 nan 0.000 0.442 67 S N 0.329 115.993 115.700 -0.060 0.000 2.372 67 S HA -0.324 4.146 4.470 -0.000 0.000 0.227 67 S C 2.098 176.641 174.600 -0.096 0.000 1.044 67 S CA 2.336 60.493 58.200 -0.071 0.000 1.050 67 S CB -0.684 62.476 63.200 -0.067 0.000 0.901 67 S HN 0.775 nan 8.310 nan 0.000 0.447 68 M N 0.578 120.114 119.600 -0.106 0.000 2.202 68 M HA -0.017 4.463 4.480 -0.000 0.000 0.262 68 M C 1.820 178.046 176.300 -0.123 0.000 1.063 68 M CA 1.621 56.838 55.300 -0.138 0.000 1.097 68 M CB -0.712 31.793 32.600 -0.159 0.000 1.382 68 M HN 0.119 nan 8.290 nan 0.000 0.413 69 L N 0.766 121.941 121.223 -0.081 0.000 2.265 69 L HA -0.183 4.157 4.340 -0.000 0.000 0.215 69 L C 1.551 178.415 176.870 -0.010 0.000 1.117 69 L CA 1.028 55.857 54.840 -0.018 0.000 0.782 69 L CB -0.669 41.381 42.059 -0.015 0.000 0.914 69 L HN 0.491 nan 8.230 nan 0.000 0.441 70 N N -0.180 118.483 118.700 -0.062 0.000 2.220 70 N HA -0.068 4.672 4.740 -0.000 0.000 0.182 70 N C 1.680 177.127 175.510 -0.104 0.000 1.023 70 N CA 0.788 53.794 53.050 -0.074 0.000 0.856 70 N CB -0.135 38.298 38.487 -0.090 0.000 0.997 70 N HN 0.155 nan 8.380 nan 0.000 0.429 71 R N -0.457 119.937 120.500 -0.177 0.000 2.200 71 R HA -0.150 4.190 4.340 -0.000 0.000 0.234 71 R C 1.497 177.827 176.300 0.049 0.000 1.127 71 R CA 1.138 57.093 56.100 -0.241 0.000 0.989 71 R CB -0.341 29.773 30.300 -0.311 0.000 0.869 71 R HN 0.465 nan 8.270 nan 0.000 0.459 72 Y N 2.105 122.310 120.300 -0.159 0.000 2.503 72 Y HA 0.030 4.580 4.550 -0.000 0.000 0.277 72 Y C 1.696 177.607 175.900 0.018 0.000 1.102 72 Y CA 0.485 58.467 58.100 -0.197 0.000 1.261 72 Y CB 0.377 38.516 38.460 -0.537 0.000 1.096 72 Y HN -0.123 nan 8.280 nan 0.000 0.546 73 K N -0.329 119.920 120.400 -0.250 0.000 2.458 73 K HA 0.062 4.382 4.320 -0.000 0.000 0.194 73 K C 1.118 177.734 176.600 0.026 0.000 1.024 73 K CA 0.271 56.426 56.287 -0.219 0.000 1.108 73 K CB 0.305 32.741 32.500 -0.106 0.000 0.846 73 K HN 0.306 nan 8.250 nan 0.000 0.518 74 L N 1.047 122.294 121.223 0.039 0.000 2.408 74 L HA 0.267 4.607 4.340 -0.000 0.000 0.215 74 L C 0.239 177.167 176.870 0.097 0.000 1.081 74 L CA 0.334 55.248 54.840 0.124 0.000 0.840 74 L CB 0.093 42.197 42.059 0.075 0.000 1.002 74 L HN 0.186 nan 8.230 nan 0.000 0.468 75 I N 0.823 121.400 120.570 0.012 0.000 2.471 75 I HA -0.051 4.119 4.170 -0.000 0.000 0.286 75 I C 0.144 175.941 176.117 -0.532 0.000 1.079 75 I CA -0.644 60.577 61.300 -0.133 0.000 1.398 75 I CB -0.362 37.620 38.000 -0.030 0.000 1.403 75 I HN 0.093 nan 8.210 nan 0.000 0.530 76 Y N 7.568 127.331 120.300 -0.895 0.000 2.713 76 Y HA 0.019 4.569 4.550 -0.000 0.000 0.341 76 Y C 0.140 175.604 175.900 -0.727 0.000 1.167 76 Y CA -0.270 56.963 58.100 -1.445 0.000 1.503 76 Y CB 0.032 37.959 38.460 -0.888 0.000 1.199 76 Y HN 0.438 nan 8.280 nan 0.000 0.525 77 K N 4.882 124.756 120.400 -0.876 0.000 2.285 77 K HA 0.123 4.443 4.320 -0.000 0.000 0.286 77 K C 0.312 176.430 176.600 -0.804 0.000 1.072 77 K CA -0.454 55.484 56.287 -0.582 0.000 0.913 77 K CB 0.873 33.265 32.500 -0.180 0.000 1.067 77 K HN 0.709 nan 8.250 nan 0.000 0.479 78 T N 2.011 116.106 114.554 -0.764 0.000 2.905 78 T HA -0.057 4.293 4.350 -0.000 0.000 0.299 78 T C 1.001 175.545 174.700 -0.261 0.000 1.024 78 T CA 0.151 61.910 62.100 -0.568 0.000 1.151 78 T CB 0.320 69.006 68.868 -0.304 0.000 0.987 78 T HN 0.615 nan 8.240 nan 0.000 0.535 79 S N 3.690 119.310 115.700 -0.134 0.000 2.446 79 S HA 0.127 4.597 4.470 -0.000 0.000 0.200 79 S C 1.179 175.765 174.600 -0.023 0.000 1.248 79 S CA 0.701 58.888 58.200 -0.021 0.000 1.813 79 S CB -0.686 62.544 63.200 0.050 0.000 0.870 79 S HN 0.993 nan 8.310 nan 0.000 0.371 80 G N 1.829 110.628 108.800 -0.002 0.000 2.393 80 G HA2 0.418 4.378 3.960 -0.000 0.000 0.311 80 G HA3 0.418 4.378 3.960 -0.000 0.000 0.311 80 G C -0.593 174.298 174.900 -0.015 0.000 1.067 80 G CA -0.439 44.660 45.100 -0.002 0.000 1.000 80 G HN 0.330 nan 8.290 nan 0.000 0.422 81 T N 3.901 118.440 114.554 -0.024 0.000 3.162 81 T HA 0.170 4.520 4.350 -0.000 0.000 0.264 81 T C 0.605 175.290 174.700 -0.026 0.000 0.959 81 T CA 0.044 62.123 62.100 -0.035 0.000 1.118 81 T CB -0.634 68.216 68.868 -0.030 0.000 0.979 81 T HN 0.505 nan 8.240 nan 0.000 0.679 82 L N 1.304 122.511 121.223 -0.027 0.000 2.276 82 L HA 0.842 5.182 4.340 -0.000 0.000 0.286 82 L C 0.361 177.216 176.870 -0.025 0.000 1.061 82 L CA -0.478 54.355 54.840 -0.011 0.000 0.807 82 L CB 0.739 42.801 42.059 0.005 0.000 1.177 82 L HN 0.309 nan 8.230 nan 0.000 0.429 83 G N 4.358 113.160 108.800 0.004 0.000 2.420 83 G HA2 0.760 4.720 3.960 -0.000 0.000 0.331 83 G HA3 0.760 4.720 3.960 -0.000 0.000 0.331 83 G C -0.817 174.131 174.900 0.080 0.000 1.168 83 G CA -0.801 44.316 45.100 0.029 0.000 0.936 83 G HN 0.690 nan 8.290 nan 0.000 0.479 84 I N 0.683 121.341 120.570 0.147 0.000 2.646 84 I HA 0.472 4.642 4.170 -0.000 0.000 0.299 84 I C 0.535 176.748 176.117 0.160 0.000 1.036 84 I CA -1.181 60.208 61.300 0.148 0.000 1.074 84 I CB 2.403 40.505 38.000 0.171 0.000 1.258 84 I HN 0.543 nan 8.210 nan 0.000 0.430 85 A N 7.407 130.295 122.820 0.113 0.000 2.545 85 A HA 0.548 4.868 4.320 -0.000 0.000 0.297 85 A C -0.499 177.145 177.584 0.099 0.000 1.340 85 A CA 0.211 52.308 52.037 0.100 0.000 1.016 85 A CB -0.692 18.350 19.000 0.070 0.000 1.122 85 A HN 0.599 nan 8.150 nan 0.000 0.537 86 L N 2.727 124.023 121.223 0.120 0.000 2.406 86 L HA 0.585 4.925 4.340 -0.000 0.000 0.270 86 L C 0.351 177.278 176.870 0.095 0.000 0.982 86 L CA -0.352 54.542 54.840 0.089 0.000 0.843 86 L CB 1.864 43.965 42.059 0.070 0.000 1.225 86 L HN 0.656 nan 8.230 nan 0.000 0.412 87 A N 2.532 125.393 122.820 0.068 0.000 2.309 87 A HA 0.423 4.743 4.320 -0.000 0.000 0.298 87 A C -0.078 177.545 177.584 0.065 0.000 1.165 87 A CA -0.402 51.679 52.037 0.073 0.000 0.821 87 A CB 0.714 19.744 19.000 0.051 0.000 1.102 87 A HN 0.745 nan 8.150 nan 0.000 0.500 88 E N 2.013 122.274 120.200 0.101 0.000 2.414 88 E HA 0.270 4.620 4.350 -0.000 0.000 0.263 88 E C -2.091 174.537 176.600 0.047 0.000 1.000 88 E CA -1.102 55.354 56.400 0.094 0.000 0.914 88 E CB 0.292 30.096 29.700 0.174 0.000 0.948 88 E HN 0.443 nan 8.360 nan 0.000 0.444 89 P HA 0.042 nan 4.420 nan 0.000 0.277 89 P C -1.178 176.130 177.300 0.014 0.000 1.240 89 P CA -0.553 62.560 63.100 0.022 0.000 0.798 89 P CB 0.937 32.651 31.700 0.024 0.000 0.979 90 V N 2.019 121.934 119.914 0.003 0.000 2.479 90 V HA 0.035 4.155 4.120 -0.000 0.000 0.281 90 V C 0.213 176.280 176.094 -0.045 0.000 1.031 90 V CA 0.858 63.140 62.300 -0.030 0.000 1.038 90 V CB 0.415 32.221 31.823 -0.029 0.000 0.981 90 V HN 0.483 nan 8.190 nan 0.000 0.478 91 D N 4.340 124.659 120.400 -0.136 0.000 3.094 91 D HA 0.310 4.950 4.640 -0.000 0.000 0.267 91 D C 0.458 176.300 176.300 -0.764 0.000 1.542 91 D CA 0.558 54.388 54.000 -0.284 0.000 1.157 91 D CB 0.116 40.800 40.800 -0.193 0.000 1.098 91 D HN 0.623 nan 8.370 nan 0.000 0.340 92 I N 3.775 123.860 120.570 -0.809 0.000 2.494 92 I HA 0.191 4.361 4.170 -0.000 0.000 0.289 92 I C -1.812 174.042 176.117 -0.439 0.000 1.106 92 I CA -1.216 59.562 61.300 -0.869 0.000 1.369 92 I CB 0.328 37.950 38.000 -0.631 0.000 1.410 92 I HN 0.073 nan 8.210 nan 0.000 0.523 93 P HA 0.299 nan 4.420 nan 0.000 0.276 93 P C -0.659 176.566 177.300 -0.126 0.000 1.244 93 P CA -0.556 62.450 63.100 -0.158 0.000 0.801 93 P CB 1.104 32.759 31.700 -0.075 0.000 1.006 94 A N 2.189 124.958 122.820 -0.086 0.000 2.409 94 A HA 0.227 4.547 4.320 -0.000 0.000 0.262 94 A C 0.535 178.091 177.584 -0.048 0.000 1.113 94 A CA -0.574 51.422 52.037 -0.067 0.000 0.790 94 A CB -0.155 18.812 19.000 -0.054 0.000 1.046 94 A HN 0.548 nan 8.150 nan 0.000 0.496 95 V N 4.223 124.112 119.914 -0.042 0.000 2.780 95 V HA 0.011 4.131 4.120 -0.000 0.000 0.301 95 V C 0.924 177.005 176.094 -0.023 0.000 1.168 95 V CA 1.031 63.315 62.300 -0.027 0.000 1.305 95 V CB -0.445 31.364 31.823 -0.024 0.000 0.858 95 V HN 1.033 nan 8.190 nan 0.000 0.502 96 S N 4.394 120.083 115.700 -0.018 0.000 2.641 96 S HA 0.068 4.538 4.470 -0.000 0.000 0.251 96 S C 1.049 175.639 174.600 -0.017 0.000 1.332 96 S CA 0.405 58.593 58.200 -0.019 0.000 0.968 96 S CB 0.487 63.674 63.200 -0.021 0.000 0.987 96 S HN 1.061 nan 8.310 nan 0.000 0.587 97 E N 0.731 120.921 120.200 -0.016 0.000 2.124 97 E HA -0.256 4.094 4.350 -0.000 0.000 0.244 97 E C 1.196 177.789 176.600 -0.011 0.000 1.019 97 E CA 1.680 58.072 56.400 -0.013 0.000 0.941 97 E CB -0.595 29.097 29.700 -0.012 0.000 0.851 97 E HN 0.735 nan 8.360 nan 0.000 0.537 98 G N 0.095 108.890 108.800 -0.009 0.000 3.936 98 G HA2 0.211 4.171 3.960 -0.000 0.000 0.296 98 G HA3 0.211 4.171 3.960 -0.000 0.000 0.296 98 G C -0.601 174.296 174.900 -0.005 0.000 1.121 98 G CA -0.085 45.011 45.100 -0.006 0.000 0.899 98 G HN 0.160 nan 8.290 nan 0.000 0.542 99 S N 0.936 116.632 115.700 -0.007 0.000 2.673 99 S HA 0.012 4.482 4.470 -0.000 0.000 0.308 99 S C 0.518 175.117 174.600 -0.002 0.000 1.246 99 S CA 0.029 58.227 58.200 -0.004 0.000 1.077 99 S CB 0.724 63.921 63.200 -0.005 0.000 0.814 99 S HN 0.521 nan 8.310 nan 0.000 0.503 100 M N 3.782 123.383 119.600 0.002 0.000 2.239 100 M HA 0.028 4.508 4.480 -0.000 0.000 0.348 100 M C 0.227 176.523 176.300 -0.006 0.000 1.239 100 M CA 0.360 55.661 55.300 0.001 0.000 1.114 100 M CB 0.323 32.927 32.600 0.007 0.000 1.641 100 M HN 0.577 nan 8.290 nan 0.000 0.453 101 Q N 3.297 123.091 119.800 -0.010 0.000 2.259 101 Q HA 0.482 4.822 4.340 -0.000 0.000 0.249 101 Q C -1.213 174.765 176.000 -0.037 0.000 0.914 101 Q CA -0.609 55.182 55.803 -0.020 0.000 0.904 101 Q CB 1.588 30.315 28.738 -0.017 0.000 1.213 101 Q HN 0.536 nan 8.270 nan 0.000 0.428 102 V N 1.355 121.240 119.914 -0.049 0.000 2.588 102 V HA 0.189 4.309 4.120 -0.000 0.000 0.304 102 V C -0.899 175.145 176.094 -0.084 0.000 1.042 102 V CA -0.879 61.372 62.300 -0.081 0.000 0.877 102 V CB 2.002 33.774 31.823 -0.084 0.000 0.996 102 V HN 0.763 nan 8.190 nan 0.000 0.425 103 D N 3.174 123.512 120.400 -0.103 0.000 2.373 103 D HA 0.615 5.255 4.640 -0.000 0.000 0.227 103 D C 1.017 177.248 176.300 -0.116 0.000 1.091 103 D CA 0.229 54.175 54.000 -0.089 0.000 0.840 103 D CB 1.968 42.728 40.800 -0.066 0.000 1.060 103 D HN 0.629 nan 8.370 nan 0.000 0.502 104 A N 3.306 126.049 122.820 -0.129 0.000 1.884 104 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 104 A C 2.240 179.710 177.584 -0.191 0.000 1.197 104 A CA 2.175 54.097 52.037 -0.190 0.000 0.637 104 A CB -1.129 17.734 19.000 -0.228 0.000 0.827 104 A HN 0.607 nan 8.150 nan 0.000 0.450 105 S N -1.040 114.582 115.700 -0.130 0.000 2.389 105 S HA -0.164 4.306 4.470 -0.000 0.000 0.231 105 S C 0.651 175.244 174.600 -0.011 0.000 1.052 105 S CA 1.526 59.694 58.200 -0.052 0.000 1.053 105 S CB -0.282 62.911 63.200 -0.011 0.000 0.886 105 S HN 0.437 nan 8.310 nan 0.000 0.456 106 K N 1.605 121.980 120.400 -0.042 0.000 2.413 106 K HA 0.437 4.757 4.320 -0.000 0.000 0.257 106 K C -1.056 175.473 176.600 -0.118 0.000 0.946 106 K CA -0.540 55.730 56.287 -0.029 0.000 0.823 106 K CB 1.720 34.224 32.500 0.007 0.000 1.109 106 K HN 0.180 nan 8.250 nan 0.000 0.427 107 V N 0.434 120.305 119.914 -0.071 0.000 2.409 107 V HA 0.354 4.474 4.120 -0.000 0.000 0.290 107 V C -0.216 175.877 176.094 -0.003 0.000 1.017 107 V CA -1.065 61.165 62.300 -0.118 0.000 0.841 107 V CB 1.019 32.803 31.823 -0.064 0.000 1.003 107 V HN 0.586 nan 8.190 nan 0.000 0.426 108 H N 7.559 126.629 119.070 -0.001 0.000 3.184 108 H HA 0.161 4.717 4.556 -0.000 0.000 0.274 108 H C -1.412 173.917 175.328 0.001 0.000 0.962 108 H CA -1.510 54.539 56.048 0.001 0.000 1.441 108 H CB 0.849 30.611 29.762 -0.001 0.000 1.518 108 H HN 0.524 nan 8.280 nan 0.000 0.539 109 P HA -0.124 nan 4.420 nan 0.000 0.224 109 P C 0.865 178.196 177.300 0.052 0.000 1.142 109 P CA 0.786 63.923 63.100 0.062 0.000 0.778 109 P CB 0.392 32.118 31.700 0.044 0.000 0.764 110 G N -0.210 108.631 108.800 0.069 0.000 2.511 110 G HA2 0.393 4.353 3.960 -0.000 0.000 0.316 110 G HA3 0.393 4.353 3.960 -0.000 0.000 0.316 110 G C -0.675 174.259 174.900 0.056 0.000 1.210 110 G CA -0.532 44.596 45.100 0.047 0.000 0.969 110 G HN -0.110 nan 8.290 nan 0.000 0.492 111 V N 0.315 120.252 119.914 0.038 0.000 2.557 111 V HA 0.048 4.168 4.120 -0.000 0.000 0.301 111 V C 0.646 176.771 176.094 0.052 0.000 1.026 111 V CA 0.827 63.149 62.300 0.037 0.000 1.137 111 V CB 0.531 32.369 31.823 0.026 0.000 0.917 111 V HN 0.570 nan 8.190 nan 0.000 0.484 112 I N 3.477 124.078 120.570 0.051 0.000 4.102 112 I HA 0.258 4.428 4.170 -0.000 0.000 0.325 112 I C 0.516 176.657 176.117 0.040 0.000 1.471 112 I CA 0.223 61.559 61.300 0.061 0.000 1.133 112 I CB 0.145 38.183 38.000 0.063 0.000 1.184 112 I HN 0.791 nan 8.210 nan 0.000 0.451 113 S N -0.846 114.874 115.700 0.034 0.000 2.627 113 S HA 0.702 5.172 4.470 -0.000 0.000 0.270 113 S C -0.487 174.134 174.600 0.034 0.000 1.147 113 S CA -0.448 57.771 58.200 0.032 0.000 0.944 113 S CB 0.697 63.917 63.200 0.034 0.000 1.201 113 S HN 0.145 nan 8.310 nan 0.000 0.479 114 G N -0.750 108.074 108.800 0.040 0.000 3.022 114 G HA2 0.611 4.571 3.960 -0.000 0.000 0.284 114 G HA3 0.611 4.571 3.960 -0.000 0.000 0.284 114 G C 0.008 174.948 174.900 0.067 0.000 1.375 114 G CA -0.308 44.818 45.100 0.044 0.000 0.902 114 G HN 1.008 nan 8.290 nan 0.000 0.538 115 L N -0.327 120.940 121.223 0.074 0.000 2.217 115 L HA 0.161 4.501 4.340 -0.000 0.000 0.211 115 L C 1.780 178.719 176.870 0.116 0.000 1.107 115 L CA 1.600 56.512 54.840 0.121 0.000 0.783 115 L CB -0.377 41.744 42.059 0.103 0.000 0.919 115 L HN 0.496 nan 8.230 nan 0.000 0.442 116 N N -1.056 117.677 118.700 0.055 0.000 2.402 116 N HA 0.047 4.787 4.740 -0.000 0.000 0.174 116 N C 0.288 175.798 175.510 -0.000 0.000 1.027 116 N CA 0.356 53.413 53.050 0.011 0.000 0.891 116 N CB 0.184 38.675 38.487 0.007 0.000 1.016 116 N HN 0.211 nan 8.380 nan 0.000 0.439 117 S N 3.204 118.916 115.700 0.020 0.000 2.885 117 S HA 0.011 4.481 4.470 -0.000 0.000 0.334 117 S C -2.335 172.270 174.600 0.009 0.000 1.224 117 S CA -0.453 57.757 58.200 0.016 0.000 1.080 117 S CB 0.263 63.479 63.200 0.027 0.000 0.801 117 S HN 0.155 nan 8.310 nan 0.000 0.510 118 P HA 0.355 nan 4.420 nan 0.000 0.267 118 P C -0.819 176.484 177.300 0.005 0.000 1.205 118 P CA 0.057 63.149 63.100 -0.014 0.000 0.765 118 P CB 0.560 32.249 31.700 -0.018 0.000 0.828 119 A N 2.557 125.387 122.820 0.016 0.000 2.549 119 A HA 0.747 5.067 4.320 -0.000 0.000 0.297 119 A C -0.702 176.903 177.584 0.034 0.000 1.061 119 A CA -0.438 51.614 52.037 0.026 0.000 0.690 119 A CB 1.057 20.080 19.000 0.039 0.000 1.287 119 A HN 0.713 nan 8.150 nan 0.000 0.402 120 c N 0.136 118.747 118.600 0.020 0.000 3.171 120 c HA 0.905 5.475 4.570 -0.000 0.000 0.308 120 c C -0.632 173.459 174.090 0.002 0.000 1.334 120 c CA -0.850 55.493 56.329 0.023 0.000 1.473 120 c CB 0.653 43.170 42.510 0.012 0.000 1.866 120 c HN 0.927 nan 8.230 nan 0.000 0.465 121 M N 2.065 121.667 119.600 0.004 0.000 2.436 121 M HA 0.496 4.976 4.480 -0.000 0.000 0.331 121 M C -0.638 175.650 176.300 -0.020 0.000 1.135 121 M CA -0.536 54.751 55.300 -0.022 0.000 0.987 121 M CB 1.774 34.351 32.600 -0.038 0.000 1.687 121 M HN 0.654 nan 8.290 nan 0.000 0.445 122 L N 1.592 122.795 121.223 -0.034 0.000 2.455 122 L HA 0.110 4.450 4.340 -0.000 0.000 0.272 122 L C 1.161 178.017 176.870 -0.023 0.000 1.174 122 L CA -0.128 54.694 54.840 -0.029 0.000 0.869 122 L CB 0.847 42.885 42.059 -0.035 0.000 1.130 122 L HN 0.865 nan 8.230 nan 0.000 0.474 123 S N 2.161 117.851 115.700 -0.017 0.000 2.355 123 S HA -0.171 4.299 4.470 -0.000 0.000 0.222 123 S C 2.078 176.671 174.600 -0.011 0.000 1.031 123 S CA 1.095 59.291 58.200 -0.007 0.000 0.993 123 S CB -0.168 63.021 63.200 -0.018 0.000 0.859 123 S HN 0.831 nan 8.310 nan 0.000 0.453 124 A N 2.853 125.660 122.820 -0.022 0.000 1.896 124 A HA -0.152 4.168 4.320 -0.000 0.000 0.220 124 A C 0.486 178.055 177.584 -0.024 0.000 1.206 124 A CA 2.093 54.115 52.037 -0.025 0.000 0.647 124 A CB -1.831 17.154 19.000 -0.025 0.000 0.828 124 A HN 0.536 nan 8.150 nan 0.000 0.455 125 P HA -0.035 nan 4.420 nan 0.000 0.217 125 P C 1.756 179.030 177.300 -0.043 0.000 1.154 125 P CA 0.966 64.042 63.100 -0.041 0.000 0.841 125 P CB -0.182 31.484 31.700 -0.057 0.000 0.790 126 L N 0.903 122.103 121.223 -0.038 0.000 2.013 126 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 126 L C 2.579 179.484 176.870 0.060 0.000 1.073 126 L CA 2.194 57.020 54.840 -0.023 0.000 0.753 126 L CB -1.449 40.610 42.059 -0.001 0.000 0.890 126 L HN -0.123 nan 8.230 nan 0.000 0.432 127 E N -0.100 120.152 120.200 0.086 0.000 2.028 127 E HA -0.280 4.070 4.350 -0.000 0.000 0.191 127 E C 2.301 179.007 176.600 0.177 0.000 0.988 127 E CA 1.705 58.206 56.400 0.168 0.000 0.799 127 E CB -0.292 29.445 29.700 0.061 0.000 0.755 127 E HN 0.454 nan 8.360 nan 0.000 0.447 128 K N -0.142 120.290 120.400 0.053 0.000 2.281 128 K HA -0.227 4.093 4.320 -0.000 0.000 0.203 128 K C 2.178 178.821 176.600 0.072 0.000 1.046 128 K CA 1.511 57.803 56.287 0.010 0.000 0.938 128 K CB -0.027 32.452 32.500 -0.036 0.000 0.737 128 K HN 0.181 nan 8.250 nan 0.000 0.458 129 Q N 0.062 119.896 119.800 0.057 0.000 2.123 129 Q HA -0.003 4.337 4.340 -0.000 0.000 0.196 129 Q C 2.034 178.081 176.000 0.080 0.000 0.958 129 Q CA 0.615 56.431 55.803 0.023 0.000 0.841 129 Q CB 0.157 28.813 28.738 -0.138 0.000 0.915 129 Q HN 0.299 nan 8.270 nan 0.000 0.455 130 L N -0.430 120.877 121.223 0.140 0.000 1.976 130 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 130 L C 0.698 177.587 176.870 0.033 0.000 1.071 130 L CA 0.895 55.810 54.840 0.125 0.000 0.746 130 L CB -0.224 41.977 42.059 0.237 0.000 0.890 130 L HN 0.186 nan 8.230 nan 0.000 0.432 131 F N -0.635 119.380 119.950 0.109 0.000 2.733 131 F HA 0.028 4.555 4.527 -0.000 0.000 0.344 131 F C 1.290 177.148 175.800 0.096 0.000 1.179 131 F CA -0.419 57.653 58.000 0.119 0.000 1.316 131 F CB -0.886 38.179 39.000 0.108 0.000 1.577 131 F HN 0.025 nan 8.300 nan 0.000 0.591 132 Y N 0.250 120.558 120.300 0.013 0.000 2.263 132 Y HA -0.029 4.521 4.550 -0.000 0.000 0.292 132 Y C 0.469 176.363 175.900 -0.009 0.000 1.130 132 Y CA 0.472 58.518 58.100 -0.089 0.000 1.179 132 Y CB -0.494 37.778 38.460 -0.313 0.000 0.998 132 Y HN 0.134 nan 8.280 nan 0.000 0.532 133 Y N 1.299 121.581 120.300 -0.030 0.000 2.397 133 Y HA 0.310 4.860 4.550 -0.000 0.000 0.335 133 Y C 0.092 175.960 175.900 -0.054 0.000 1.213 133 Y CA -0.444 57.566 58.100 -0.152 0.000 1.391 133 Y CB 0.477 38.880 38.460 -0.095 0.000 1.293 133 Y HN -0.190 nan 8.280 nan 0.000 0.557 134 I N 1.170 121.759 120.570 0.031 0.000 2.648 134 I HA 0.726 4.896 4.170 -0.000 0.000 0.304 134 I C 0.516 176.628 176.117 -0.008 0.000 1.009 134 I CA -0.318 60.930 61.300 -0.086 0.000 1.114 134 I CB 2.025 39.890 38.000 -0.226 0.000 1.293 134 I HN 0.815 nan 8.210 nan 0.000 0.449 135 G N 2.355 111.150 108.800 -0.009 0.000 2.791 135 G HA2 0.506 4.466 3.960 -0.000 0.000 0.158 135 G HA3 0.506 4.466 3.960 -0.000 0.000 0.158 135 G C -1.374 173.541 174.900 0.026 0.000 1.193 135 G CA -0.262 44.855 45.100 0.029 0.000 1.032 135 G HN 0.413 nan 8.290 nan 0.000 0.557 136 T N 1.778 116.357 114.554 0.042 0.000 3.089 136 T HA 0.268 4.618 4.350 -0.000 0.000 0.340 136 T C 1.022 175.749 174.700 0.045 0.000 1.008 136 T CA -0.565 61.560 62.100 0.043 0.000 1.096 136 T CB 1.330 70.222 68.868 0.040 0.000 1.024 136 T HN 0.254 nan 8.240 nan 0.000 0.477 137 M N 1.672 121.296 119.600 0.041 0.000 2.202 137 M HA 0.100 4.580 4.480 -0.000 0.000 0.262 137 M C 0.513 176.839 176.300 0.043 0.000 1.063 137 M CA 1.340 56.652 55.300 0.021 0.000 1.097 137 M CB -0.744 31.884 32.600 0.047 0.000 1.382 137 M HN 0.504 nan 8.290 nan 0.000 0.413 138 L N 1.377 122.642 121.223 0.070 0.000 2.324 138 L HA 0.334 4.674 4.340 -0.000 0.000 0.274 138 L C -1.965 174.993 176.870 0.147 0.000 1.012 138 L CA -1.846 53.063 54.840 0.113 0.000 0.859 138 L CB 0.936 43.060 42.059 0.109 0.000 1.224 138 L HN -0.036 nan 8.230 nan 0.000 0.429 139 P HA 0.021 nan 4.420 nan 0.000 0.288 139 P C -0.361 176.978 177.300 0.064 0.000 1.291 139 P CA -0.247 62.905 63.100 0.086 0.000 0.766 139 P CB 1.039 32.761 31.700 0.037 0.000 1.242 140 N N -1.581 117.119 118.700 0.001 0.000 2.273 140 N HA 0.051 4.791 4.740 -0.000 0.000 0.231 140 N C -0.239 175.223 175.510 -0.080 0.000 1.134 140 N CA -0.113 52.924 53.050 -0.021 0.000 0.856 140 N CB -0.540 37.938 38.487 -0.016 0.000 1.068 140 N HN 0.400 nan 8.380 nan 0.000 0.510 141 T N -2.340 112.139 114.554 -0.124 0.000 2.918 141 T HA 0.169 4.519 4.350 -0.000 0.000 0.302 141 T C 1.523 176.078 174.700 -0.241 0.000 1.045 141 T CA -0.368 61.615 62.100 -0.196 0.000 1.114 141 T CB 1.153 69.840 68.868 -0.301 0.000 0.965 141 T HN 0.122 nan 8.240 nan 0.000 0.540 142 R N 2.198 122.543 120.500 -0.258 0.000 2.133 142 R HA -0.100 4.240 4.340 -0.000 0.000 0.245 142 R C -0.397 175.549 176.300 -0.590 0.000 1.137 142 R CA 2.104 57.938 56.100 -0.442 0.000 0.947 142 R CB -1.850 28.294 30.300 -0.258 0.000 0.865 142 R HN 0.672 nan 8.270 nan 0.000 0.437 143 P HA -0.207 nan 4.420 nan 0.000 0.213 143 P C 0.824 178.132 177.300 0.013 0.000 1.170 143 P CA 1.788 64.858 63.100 -0.050 0.000 0.902 143 P CB -0.387 31.338 31.700 0.042 0.000 0.789 144 H N -0.406 118.615 119.070 -0.082 0.000 2.353 144 H HA -0.023 4.533 4.556 -0.000 0.000 0.300 144 H C 2.337 177.630 175.328 -0.059 0.000 1.090 144 H CA 0.914 56.953 56.048 -0.014 0.000 1.327 144 H CB -0.376 29.448 29.762 0.103 0.000 1.383 144 H HN 0.140 nan 8.280 nan 0.000 0.508 145 S N 0.360 116.060 115.700 0.001 0.000 2.462 145 S HA -0.165 4.305 4.470 -0.000 0.000 0.243 145 S C 1.261 175.878 174.600 0.029 0.000 1.003 145 S CA 1.009 59.185 58.200 -0.039 0.000 0.970 145 S CB -0.225 62.892 63.200 -0.138 0.000 0.762 145 S HN 0.398 nan 8.310 nan 0.000 0.510 146 Y N -0.138 120.148 120.300 -0.024 0.000 2.448 146 Y HA 0.188 4.738 4.550 -0.000 0.000 0.289 146 Y C 2.152 177.993 175.900 -0.099 0.000 1.114 146 Y CA -0.526 57.563 58.100 -0.017 0.000 1.235 146 Y CB -0.545 37.937 38.460 0.036 0.000 1.045 146 Y HN 0.086 nan 8.280 nan 0.000 0.554 147 V N -1.794 117.969 119.914 -0.252 0.000 2.599 147 V HA 0.018 4.138 4.120 -0.000 0.000 0.237 147 V C 0.385 176.097 176.094 -0.637 0.000 1.081 147 V CA 0.422 62.224 62.300 -0.829 0.000 1.107 147 V CB -0.356 30.616 31.823 -1.418 0.000 0.808 147 V HN -0.142 nan 8.190 nan 0.000 0.486 148 F N -1.313 118.513 119.950 -0.205 0.000 2.370 148 F HA 0.486 5.013 4.527 -0.000 0.000 0.319 148 F C -0.201 175.538 175.800 -0.103 0.000 1.129 148 F CA -1.153 56.768 58.000 -0.131 0.000 1.109 148 F CB 0.087 39.040 39.000 -0.079 0.000 1.262 148 F HN -0.034 nan 8.300 nan 0.000 0.534 149 Y N 1.304 121.740 120.300 0.226 0.000 2.341 149 Y HA 0.181 4.731 4.550 -0.000 0.000 0.340 149 Y C 0.222 176.194 175.900 0.120 0.000 0.997 149 Y CA -0.734 57.444 58.100 0.131 0.000 1.149 149 Y CB 0.496 39.013 38.460 0.095 0.000 1.171 149 Y HN 0.354 nan 8.280 nan 0.000 0.494 150 Q N 3.470 123.424 119.800 0.257 0.000 2.859 150 Q HA -0.108 4.232 4.340 -0.000 0.000 0.364 150 Q C -0.824 175.270 176.000 0.157 0.000 1.067 150 Q CA 0.681 56.589 55.803 0.174 0.000 1.162 150 Q CB 0.334 29.154 28.738 0.136 0.000 1.023 150 Q HN 0.554 nan 8.270 nan 0.000 0.415 151 L N 3.257 124.557 121.223 0.127 0.000 2.354 151 L HA 0.582 4.922 4.340 -0.000 0.000 0.269 151 L C -0.795 176.122 176.870 0.078 0.000 1.005 151 L CA -0.404 54.501 54.840 0.108 0.000 0.819 151 L CB 1.888 44.023 42.059 0.126 0.000 1.311 151 L HN 0.617 nan 8.230 nan 0.000 0.423 152 R N 4.448 124.983 120.500 0.059 0.000 2.518 152 R HA 0.696 5.036 4.340 -0.000 0.000 0.296 152 R C -1.924 174.379 176.300 0.004 0.000 1.080 152 R CA -0.347 55.768 56.100 0.026 0.000 0.922 152 R CB 0.846 31.153 30.300 0.011 0.000 1.184 152 R HN 0.939 nan 8.270 nan 0.000 0.445 153 C N 0.318 119.614 119.300 -0.006 0.000 3.318 153 C HA 0.545 5.005 4.460 -0.000 0.000 0.322 153 C C -0.223 174.749 174.990 -0.030 0.000 1.398 153 C CA -1.238 57.767 59.018 -0.020 0.000 1.339 153 C CB 1.388 29.166 27.740 0.062 0.000 1.668 153 C HN 0.766 nan 8.230 nan 0.000 0.462 154 H N 1.203 120.316 119.070 0.071 0.000 2.928 154 H HA 0.443 4.999 4.556 -0.000 0.000 0.338 154 H C -0.090 175.384 175.328 0.245 0.000 1.047 154 H CA 1.029 57.156 56.048 0.131 0.000 1.435 154 H CB 0.606 30.453 29.762 0.141 0.000 1.428 154 H HN 0.618 nan 8.280 nan 0.000 0.590 155 L N 0.083 121.528 121.223 0.371 0.000 2.598 155 L HA 0.691 5.031 4.340 -0.000 0.000 0.246 155 L C -0.512 176.428 176.870 0.117 0.000 1.124 155 L CA -1.069 53.983 54.840 0.353 0.000 1.019 155 L CB 0.810 42.958 42.059 0.149 0.000 1.583 155 L HN 0.607 nan 8.230 nan 0.000 0.386 156 S N -1.276 114.402 115.700 -0.037 0.000 2.556 156 S HA 0.788 5.258 4.470 -0.000 0.000 0.280 156 S C -1.553 172.937 174.600 -0.184 0.000 1.141 156 S CA -0.613 57.442 58.200 -0.242 0.000 0.883 156 S CB 0.995 63.998 63.200 -0.328 0.000 1.103 156 S HN 1.507 nan 8.310 nan 0.000 0.453 157 Y N -0.738 119.473 120.300 -0.148 0.000 2.665 157 Y HA 0.899 5.449 4.550 -0.000 0.000 0.336 157 Y C -1.262 174.488 175.900 -0.250 0.000 1.085 157 Y CA -1.976 56.009 58.100 -0.193 0.000 1.096 157 Y CB 0.695 39.042 38.460 -0.189 0.000 1.301 157 Y HN 0.565 nan 8.280 nan 0.000 0.493 158 V N 1.573 121.511 119.914 0.040 0.000 2.357 158 V HA 0.764 4.884 4.120 -0.000 0.000 0.281 158 V C 0.139 176.160 176.094 -0.122 0.000 1.015 158 V CA -0.860 61.385 62.300 -0.091 0.000 0.827 158 V CB 0.215 31.927 31.823 -0.184 0.000 1.018 158 V HN 1.108 nan 8.190 nan 0.000 0.432 159 A N 4.896 127.679 122.820 -0.061 0.000 2.371 159 A HA 0.826 5.146 4.320 -0.000 0.000 0.257 159 A C -0.758 176.794 177.584 -0.054 0.000 1.089 159 A CA -0.120 51.832 52.037 -0.142 0.000 0.794 159 A CB 0.926 19.842 19.000 -0.140 0.000 1.029 159 A HN 0.826 nan 8.150 nan 0.000 0.488 160 L N 1.186 122.377 121.223 -0.052 0.000 2.472 160 L HA 0.714 5.054 4.340 -0.000 0.000 0.260 160 L C -0.466 176.410 176.870 0.010 0.000 0.963 160 L CA 0.213 55.075 54.840 0.037 0.000 0.829 160 L CB 2.294 44.439 42.059 0.142 0.000 1.348 160 L HN 0.676 nan 8.230 nan 0.000 0.408 161 S N 4.704 120.427 115.700 0.039 0.000 2.706 161 S HA 0.813 5.283 4.470 -0.000 0.000 0.270 161 S C -1.244 173.397 174.600 0.067 0.000 1.163 161 S CA -0.558 57.664 58.200 0.036 0.000 1.042 161 S CB 0.356 63.561 63.200 0.008 0.000 1.079 161 S HN 0.424 nan 8.310 nan 0.000 0.474 162 I N 3.126 123.765 120.570 0.115 0.000 3.023 162 I HA 0.547 4.717 4.170 -0.000 0.000 0.312 162 I C 0.753 176.915 176.117 0.075 0.000 1.056 162 I CA -0.885 60.464 61.300 0.082 0.000 1.033 162 I CB 1.091 39.116 38.000 0.042 0.000 1.233 162 I HN 0.764 nan 8.210 nan 0.000 0.462 163 N N 2.047 120.759 118.700 0.020 0.000 2.678 163 N HA -0.187 4.553 4.740 -0.000 0.000 0.249 163 N C 0.600 176.119 175.510 0.014 0.000 1.119 163 N CA 1.393 54.444 53.050 0.001 0.000 0.718 163 N CB -1.172 37.304 38.487 -0.018 0.000 1.060 163 N HN 1.135 nan 8.380 nan 0.000 0.552 164 G N 0.363 109.176 108.800 0.020 0.000 2.392 164 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.290 164 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.290 164 G C 0.146 175.053 174.900 0.012 0.000 1.032 164 G CA 0.200 45.307 45.100 0.013 0.000 1.269 164 G HN 0.529 nan 8.290 nan 0.000 0.511 165 D N -1.430 118.979 120.400 0.016 0.000 3.067 165 D HA -0.185 4.455 4.640 -0.000 0.000 0.216 165 D C 1.628 177.934 176.300 0.009 0.000 1.162 165 D CA 1.805 55.806 54.000 0.001 0.000 0.960 165 D CB -0.362 40.429 40.800 -0.015 0.000 1.129 165 D HN 0.747 nan 8.370 nan 0.000 0.408 166 K N -0.848 119.575 120.400 0.037 0.000 2.400 166 K HA 0.080 4.400 4.320 -0.000 0.000 0.194 166 K C 0.551 177.225 176.600 0.124 0.000 1.033 166 K CA 0.315 56.630 56.287 0.048 0.000 1.021 166 K CB 0.546 33.063 32.500 0.029 0.000 0.808 166 K HN 0.172 nan 8.250 nan 0.000 0.505 167 F N 1.551 121.477 119.950 -0.040 0.000 2.615 167 F HA 0.171 4.698 4.527 -0.000 0.000 0.312 167 F C -1.948 173.855 175.800 0.004 0.000 1.119 167 F CA -0.690 57.298 58.000 -0.020 0.000 0.979 167 F CB 1.542 40.503 39.000 -0.066 0.000 1.266 167 F HN -0.120 nan 8.300 nan 0.000 0.444 168 Q N 4.942 124.326 119.800 -0.693 0.000 2.391 168 Q HA 0.435 4.775 4.340 -0.000 0.000 0.279 168 Q C -2.334 173.438 176.000 -0.380 0.000 1.028 168 Q CA -1.055 54.516 55.803 -0.386 0.000 0.836 168 Q CB 3.078 31.697 28.738 -0.198 0.000 1.414 168 Q HN 0.704 nan 8.270 nan 0.000 0.397 169 Y N 0.456 120.597 120.300 -0.264 0.000 2.499 169 Y HA 0.675 5.225 4.550 -0.000 0.000 0.347 169 Y C -1.491 174.328 175.900 -0.135 0.000 0.987 169 Y CA -0.600 57.410 58.100 -0.150 0.000 1.044 169 Y CB 2.775 41.261 38.460 0.043 0.000 1.245 169 Y HN 0.756 nan 8.280 nan 0.000 0.461 170 T N 3.865 117.890 114.554 -0.883 0.000 2.949 170 T HA 0.399 4.749 4.350 -0.000 0.000 0.300 170 T C -0.135 174.018 174.700 -0.912 0.000 0.988 170 T CA -0.425 61.221 62.100 -0.756 0.000 0.993 170 T CB 1.069 69.682 68.868 -0.425 0.000 0.984 170 T HN 0.944 nan 8.240 nan 0.000 0.442 171 G N 2.221 110.599 108.800 -0.703 0.000 3.506 171 G HA2 0.506 4.466 3.960 -0.000 0.000 0.268 171 G HA3 0.506 4.466 3.960 -0.000 0.000 0.268 171 G C 0.414 175.235 174.900 -0.132 0.000 0.959 171 G CA -0.575 44.306 45.100 -0.364 0.000 1.823 171 G HN 0.979 nan 8.290 nan 0.000 0.615 172 A N 2.865 125.614 122.820 -0.118 0.000 2.454 172 A HA 0.666 4.986 4.320 -0.000 0.000 0.260 172 A C 0.359 177.885 177.584 -0.096 0.000 1.106 172 A CA -0.088 51.921 52.037 -0.047 0.000 0.780 172 A CB -0.025 18.943 19.000 -0.054 0.000 1.044 172 A HN 0.962 nan 8.150 nan 0.000 0.498 173 M N 1.858 121.417 119.600 -0.067 0.000 2.470 173 M HA 0.696 5.176 4.480 -0.000 0.000 0.285 173 M C -0.683 175.661 176.300 0.074 0.000 1.213 173 M CA -0.436 54.806 55.300 -0.096 0.000 0.901 173 M CB 1.952 34.591 32.600 0.065 0.000 1.718 173 M HN 0.496 nan 8.290 nan 0.000 0.469 174 T N -0.455 114.082 114.554 -0.028 0.000 2.848 174 T HA 0.481 4.831 4.350 -0.000 0.000 0.281 174 T C 0.973 175.789 174.700 0.194 0.000 1.026 174 T CA 0.105 62.288 62.100 0.138 0.000 1.005 174 T CB 1.477 70.226 68.868 -0.199 0.000 1.246 174 T HN 0.934 nan 8.240 nan 0.000 0.562 175 S N 0.234 115.732 115.700 -0.336 0.000 2.547 175 S HA 0.070 4.540 4.470 -0.000 0.000 0.235 175 S C 1.279 175.975 174.600 0.160 0.000 0.980 175 S CA 0.700 58.681 58.200 -0.365 0.000 0.941 175 S CB -0.277 62.534 63.200 -0.648 0.000 0.763 175 S HN 0.685 nan 8.310 nan 0.000 0.532 176 K N -0.265 120.304 120.400 0.282 0.000 2.424 176 K HA 0.323 4.643 4.320 -0.000 0.000 0.198 176 K C -0.185 176.768 176.600 0.588 0.000 1.190 176 K CA 0.187 56.754 56.287 0.466 0.000 0.935 176 K CB 0.779 33.481 32.500 0.338 0.000 1.087 176 K HN 0.587 nan 8.250 nan 0.000 0.524 177 F N -0.387 119.671 119.950 0.181 0.000 2.654 177 F HA 0.550 5.077 4.527 -0.000 0.000 0.308 177 F C -1.566 173.906 175.800 -0.546 0.000 1.108 177 F CA -1.693 56.170 58.000 -0.228 0.000 0.957 177 F CB 0.929 39.838 39.000 -0.152 0.000 1.309 177 F HN -0.296 nan 8.300 nan 0.000 0.446 178 L N 4.152 124.892 121.223 -0.806 0.000 2.331 178 L HA 0.751 5.091 4.340 -0.000 0.000 0.275 178 L C -1.133 175.729 176.870 -0.013 0.000 1.022 178 L CA -0.706 53.806 54.840 -0.547 0.000 0.812 178 L CB 1.865 43.553 42.059 -0.619 0.000 1.257 178 L HN 0.920 nan 8.230 nan 0.000 0.435 179 M N 4.532 124.141 119.600 0.014 0.000 2.167 179 M HA 0.386 4.866 4.480 -0.000 0.000 0.218 179 M C -0.717 175.625 176.300 0.069 0.000 0.968 179 M CA -0.236 55.129 55.300 0.108 0.000 1.004 179 M CB 0.671 33.330 32.600 0.098 0.000 2.485 179 M HN 0.838 nan 8.290 nan 0.000 0.404 180 G N 2.187 111.094 108.800 0.178 0.000 2.420 180 G HA2 0.598 4.558 3.960 -0.000 0.000 0.284 180 G HA3 0.598 4.558 3.960 -0.000 0.000 0.284 180 G C -0.285 174.603 174.900 -0.020 0.000 1.177 180 G CA -0.118 45.052 45.100 0.118 0.000 0.841 180 G HN 0.628 nan 8.290 nan 0.000 0.527 181 T N -1.097 113.397 114.554 -0.099 0.000 2.861 181 T HA 0.584 4.934 4.350 -0.000 0.000 0.287 181 T C -1.099 173.528 174.700 -0.122 0.000 1.003 181 T CA -0.759 61.274 62.100 -0.112 0.000 0.977 181 T CB 1.378 70.254 68.868 0.014 0.000 0.996 181 T HN 0.323 nan 8.240 nan 0.000 0.448 182 Y N 1.315 121.610 120.300 -0.008 0.000 2.352 182 Y HA 0.697 5.247 4.550 -0.000 0.000 0.326 182 Y C 0.576 176.472 175.900 -0.007 0.000 1.166 182 Y CA -1.232 56.817 58.100 -0.086 0.000 1.182 182 Y CB 1.700 39.997 38.460 -0.272 0.000 1.216 182 Y HN 0.746 nan 8.280 nan 0.000 0.474 183 K N 3.545 123.962 120.400 0.030 0.000 2.652 183 K HA 0.413 4.733 4.320 -0.000 0.000 0.249 183 K C -1.220 175.336 176.600 -0.073 0.000 0.986 183 K CA -0.667 55.626 56.287 0.010 0.000 0.867 183 K CB 1.358 33.794 32.500 -0.107 0.000 1.201 183 K HN 0.780 nan 8.250 nan 0.000 0.450 184 R N 2.770 123.342 120.500 0.120 0.000 2.873 184 R HA 0.682 5.022 4.340 -0.000 0.000 0.264 184 R C -1.439 174.901 176.300 0.068 0.000 1.026 184 R CA -0.707 55.487 56.100 0.155 0.000 1.002 184 R CB 1.937 32.336 30.300 0.165 0.000 1.174 184 R HN 0.333 nan 8.270 nan 0.000 0.488 185 V N 1.848 121.797 119.914 0.059 0.000 2.612 185 V HA 0.231 4.351 4.120 -0.000 0.000 0.301 185 V C -0.075 176.031 176.094 0.020 0.000 1.059 185 V CA -0.841 61.469 62.300 0.017 0.000 0.886 185 V CB 1.871 33.691 31.823 -0.005 0.000 1.007 185 V HN 0.913 nan 8.190 nan 0.000 0.426 186 T N 2.460 117.031 114.554 0.029 0.000 2.698 186 T HA 0.113 4.463 4.350 -0.000 0.000 0.295 186 T C 1.321 176.022 174.700 0.002 0.000 1.007 186 T CA -0.498 61.618 62.100 0.027 0.000 0.980 186 T CB 0.641 69.542 68.868 0.055 0.000 1.036 186 T HN 0.733 nan 8.240 nan 0.000 0.526 187 E N 0.285 120.484 120.200 -0.001 0.000 2.171 187 E HA -0.096 4.254 4.350 -0.000 0.000 0.197 187 E C 0.848 177.443 176.600 -0.008 0.000 0.997 187 E CA 1.230 57.625 56.400 -0.007 0.000 0.810 187 E CB -0.105 29.590 29.700 -0.007 0.000 0.738 187 E HN 0.490 nan 8.360 nan 0.000 0.467 188 K N -0.424 119.972 120.400 -0.006 0.000 2.179 188 K HA 0.320 4.640 4.320 -0.000 0.000 0.238 188 K C 1.161 177.748 176.600 -0.021 0.000 1.033 188 K CA 0.233 56.513 56.287 -0.011 0.000 0.926 188 K CB 0.797 33.292 32.500 -0.007 0.000 1.151 188 K HN 0.014 nan 8.250 nan 0.000 0.492 189 G N 1.041 109.826 108.800 -0.025 0.000 3.028 189 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.205 189 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.205 189 G C -0.352 174.515 174.900 -0.055 0.000 1.182 189 G CA 0.087 45.166 45.100 -0.035 0.000 0.860 189 G HN 0.535 nan 8.290 nan 0.000 0.507 190 D N 0.614 120.973 120.400 -0.067 0.000 2.450 190 D HA 0.159 4.799 4.640 -0.000 0.000 0.247 190 D C 0.136 176.321 176.300 -0.191 0.000 1.162 190 D CA 0.528 54.443 54.000 -0.141 0.000 0.879 190 D CB 1.017 41.740 40.800 -0.129 0.000 1.163 190 D HN 0.360 nan 8.370 nan 0.000 0.472 191 E N 2.472 122.531 120.200 -0.235 0.000 2.186 191 E HA 0.138 4.488 4.350 -0.000 0.000 0.255 191 E C -0.878 175.574 176.600 -0.245 0.000 0.881 191 E CA -0.729 55.561 56.400 -0.183 0.000 0.752 191 E CB 0.494 30.130 29.700 -0.107 0.000 1.176 191 E HN 0.401 nan 8.360 nan 0.000 0.421 192 H N 2.650 121.700 119.070 -0.034 0.000 2.467 192 H HA 0.381 4.937 4.556 -0.000 0.000 0.326 192 H C -0.312 174.954 175.328 -0.103 0.000 1.094 192 H CA -0.548 55.416 56.048 -0.141 0.000 1.253 192 H CB 1.514 31.252 29.762 -0.041 0.000 1.439 192 H HN 0.334 nan 8.280 nan 0.000 0.479 193 V N 2.079 121.824 119.914 -0.283 0.000 2.841 193 V HA 0.647 4.767 4.120 -0.000 0.000 0.310 193 V C -1.001 175.142 176.094 0.081 0.000 1.090 193 V CA -0.995 61.317 62.300 0.020 0.000 0.930 193 V CB 2.186 33.910 31.823 -0.165 0.000 1.014 193 V HN 0.460 nan 8.190 nan 0.000 0.425 194 L N 3.460 124.684 121.223 0.001 0.000 2.526 194 L HA 0.950 5.290 4.340 -0.000 0.000 0.263 194 L C -0.416 176.418 176.870 -0.059 0.000 0.943 194 L CA 0.106 54.905 54.840 -0.067 0.000 0.859 194 L CB 2.155 43.980 42.059 -0.390 0.000 1.313 194 L HN 1.185 nan 8.230 nan 0.000 0.406 195 S N 4.322 120.046 115.700 0.039 0.000 2.599 195 S HA 0.884 5.354 4.470 -0.000 0.000 0.294 195 S C -0.891 173.686 174.600 -0.039 0.000 1.094 195 S CA -0.907 57.281 58.200 -0.021 0.000 0.931 195 S CB 1.759 65.022 63.200 0.104 0.000 1.093 195 S HN 0.716 nan 8.310 nan 0.000 0.488 196 L N 1.626 122.762 121.223 -0.145 0.000 2.346 196 L HA 0.689 5.029 4.340 -0.000 0.000 0.276 196 L C -1.228 175.650 176.870 0.013 0.000 1.006 196 L CA -1.091 53.646 54.840 -0.173 0.000 0.817 196 L CB 2.059 43.721 42.059 -0.662 0.000 1.272 196 L HN 0.545 nan 8.230 nan 0.000 0.421 197 V N 2.692 122.684 119.914 0.130 0.000 2.407 197 V HA 0.422 4.542 4.120 -0.000 0.000 0.291 197 V C -0.742 175.560 176.094 0.347 0.000 1.018 197 V CA -0.550 61.883 62.300 0.221 0.000 0.842 197 V CB 1.628 33.535 31.823 0.139 0.000 0.996 197 V HN 0.458 nan 8.190 nan 0.000 0.426 198 F N 3.245 123.344 119.950 0.247 0.000 2.522 198 F HA 0.980 5.507 4.527 -0.000 0.000 0.324 198 F C 0.372 176.280 175.800 0.180 0.000 1.077 198 F CA 0.283 58.451 58.000 0.280 0.000 0.944 198 F CB 2.077 41.298 39.000 0.368 0.000 1.175 198 F HN 0.849 nan 8.300 nan 0.000 0.468 199 G N 3.666 112.048 108.800 -0.697 0.000 2.352 199 G HA2 0.125 4.085 3.960 -0.000 0.000 0.302 199 G HA3 0.125 4.085 3.960 -0.000 0.000 0.302 199 G C -1.883 172.923 174.900 -0.158 0.000 1.370 199 G CA -1.326 43.565 45.100 -0.348 0.000 0.918 199 G HN 0.652 nan 8.290 nan 0.000 0.610 200 K N 0.870 121.164 120.400 -0.176 0.000 2.447 200 K HA 0.229 4.549 4.320 -0.000 0.000 0.281 200 K C 1.614 178.071 176.600 -0.238 0.000 1.031 200 K CA 0.541 56.592 56.287 -0.394 0.000 1.019 200 K CB 0.644 32.945 32.500 -0.331 0.000 0.918 200 K HN 0.520 nan 8.250 nan 0.000 0.476 201 T N 2.787 117.205 114.554 -0.226 0.000 2.751 201 T HA -0.256 4.094 4.350 -0.000 0.000 0.268 201 T C 1.618 176.194 174.700 -0.207 0.000 1.045 201 T CA 2.044 64.020 62.100 -0.207 0.000 1.142 201 T CB -0.169 68.615 68.868 -0.140 0.000 0.851 201 T HN 0.650 nan 8.240 nan 0.000 0.474 202 K N 1.129 121.432 120.400 -0.161 0.000 2.365 202 K HA -0.010 4.310 4.320 -0.000 0.000 0.199 202 K C 1.236 177.776 176.600 -0.101 0.000 1.045 202 K CA 1.319 57.539 56.287 -0.112 0.000 0.962 202 K CB 0.157 32.605 32.500 -0.087 0.000 0.759 202 K HN 0.168 nan 8.250 nan 0.000 0.469 203 D N 0.410 120.741 120.400 -0.116 0.000 2.369 203 D HA 0.070 4.710 4.640 -0.000 0.000 0.211 203 D C -0.178 175.983 176.300 -0.231 0.000 1.077 203 D CA -0.109 53.842 54.000 -0.080 0.000 0.842 203 D CB 0.158 40.986 40.800 0.047 0.000 0.947 203 D HN 0.077 nan 8.370 nan 0.000 0.509 204 L N 2.129 123.144 121.223 -0.347 0.000 2.514 204 L HA 0.076 4.416 4.340 -0.000 0.000 0.280 204 L C -1.665 174.993 176.870 -0.352 0.000 1.223 204 L CA -0.611 53.907 54.840 -0.538 0.000 0.864 204 L CB -0.573 40.983 42.059 -0.838 0.000 1.118 204 L HN -0.175 nan 8.230 nan 0.000 0.494 205 P HA -0.031 nan 4.420 nan 0.000 0.272 205 P C -1.108 176.288 177.300 0.160 0.000 1.239 205 P CA -0.069 62.889 63.100 -0.236 0.000 0.807 205 P CB 0.350 31.751 31.700 -0.498 0.000 0.951 206 D N 0.535 121.052 120.400 0.196 0.000 2.249 206 D HA 0.196 4.836 4.640 -0.000 0.000 0.246 206 D C 0.104 176.619 176.300 0.359 0.000 1.114 206 D CA -0.093 54.070 54.000 0.271 0.000 0.854 206 D CB 0.542 41.473 40.800 0.220 0.000 1.132 206 D HN 0.183 nan 8.370 nan 0.000 0.461 207 L N 2.170 123.509 121.223 0.194 0.000 2.371 207 L HA 0.287 4.627 4.340 -0.000 0.000 0.272 207 L C 1.864 178.798 176.870 0.106 0.000 1.124 207 L CA -0.429 54.423 54.840 0.019 0.000 0.816 207 L CB 1.258 43.213 42.059 -0.174 0.000 1.129 207 L HN 0.313 nan 8.230 nan 0.000 0.448 208 R N 1.957 122.388 120.500 -0.115 0.000 1.967 208 R HA 0.145 4.485 4.340 -0.000 0.000 0.184 208 R C 1.070 177.324 176.300 -0.077 0.000 1.350 208 R CA 0.592 56.464 56.100 -0.379 0.000 1.232 208 R CB -0.523 29.384 30.300 -0.655 0.000 0.813 208 R HN 0.800 nan 8.270 nan 0.000 0.512 209 G N 0.505 109.288 108.800 -0.029 0.000 2.443 209 G HA2 0.014 3.974 3.960 -0.000 0.000 0.286 209 G HA3 0.014 3.974 3.960 -0.000 0.000 0.286 209 G C -2.044 172.680 174.900 -0.294 0.000 1.393 209 G CA -0.764 44.240 45.100 -0.160 0.000 1.080 209 G HN 0.356 nan 8.290 nan 0.000 0.566 210 P HA 0.198 nan 4.420 nan 0.000 0.245 210 P C -1.089 175.687 177.300 -0.873 0.000 1.670 210 P CA 0.423 63.144 63.100 -0.632 0.000 1.146 210 P CB -0.476 30.810 31.700 -0.690 0.000 1.954 211 F N 0.514 120.311 119.950 -0.256 0.000 2.520 211 F HA 0.457 4.984 4.527 -0.000 0.000 0.322 211 F C 0.449 176.118 175.800 -0.218 0.000 1.103 211 F CA -0.671 57.195 58.000 -0.223 0.000 0.926 211 F CB 1.755 40.603 39.000 -0.254 0.000 1.154 211 F HN -0.109 nan 8.300 nan 0.000 0.453 212 S N 1.841 117.565 115.700 0.041 0.000 2.647 212 S HA 0.341 4.811 4.470 -0.000 0.000 0.300 212 S C 0.265 174.875 174.600 0.016 0.000 1.129 212 S CA -0.721 57.478 58.200 -0.002 0.000 1.029 212 S CB 0.538 63.739 63.200 0.003 0.000 1.007 212 S HN 0.642 nan 8.310 nan 0.000 0.484 213 Y N 2.747 123.067 120.300 0.032 0.000 2.173 213 Y HA -0.164 4.386 4.550 -0.000 0.000 0.282 213 Y C -0.226 175.669 175.900 -0.009 0.000 1.192 213 Y CA 2.308 60.413 58.100 0.008 0.000 1.176 213 Y CB -1.264 37.200 38.460 0.008 0.000 0.969 213 Y HN 0.568 nan 8.280 nan 0.000 0.519 214 P HA -0.193 nan 4.420 nan 0.000 0.215 214 P C 1.252 178.574 177.300 0.036 0.000 1.157 214 P CA 2.357 65.502 63.100 0.074 0.000 0.874 214 P CB -0.261 31.471 31.700 0.054 0.000 0.790 215 S N -1.672 114.050 115.700 0.036 0.000 2.720 215 S HA 0.126 4.596 4.470 -0.000 0.000 0.222 215 S C 1.491 176.057 174.600 -0.056 0.000 0.958 215 S CA 0.180 58.383 58.200 0.004 0.000 0.943 215 S CB -1.017 62.221 63.200 0.064 0.000 0.779 215 S HN 0.140 nan 8.310 nan 0.000 0.526 216 L N -0.363 120.841 121.223 -0.032 0.000 3.284 216 L HA 0.220 4.560 4.340 -0.000 0.000 0.294 216 L C -0.039 176.820 176.870 -0.019 0.000 1.183 216 L CA 0.012 54.809 54.840 -0.071 0.000 1.056 216 L CB 0.470 42.497 42.059 -0.054 0.000 1.513 216 L HN 0.138 nan 8.230 nan 0.000 0.601 217 T N -0.805 113.761 114.554 0.018 0.000 2.869 217 T HA 0.109 4.459 4.350 -0.000 0.000 0.295 217 T C 0.958 175.619 174.700 -0.064 0.000 0.987 217 T CA 0.226 62.324 62.100 -0.004 0.000 1.109 217 T CB 2.344 71.211 68.868 -0.001 0.000 0.932 217 T HN -0.061 nan 8.240 nan 0.000 0.518 218 S N 1.317 116.963 115.700 -0.090 0.000 2.468 218 S HA 0.494 4.964 4.470 -0.000 0.000 0.226 218 S C 0.558 175.057 174.600 -0.168 0.000 1.051 218 S CA 0.077 58.217 58.200 -0.100 0.000 0.943 218 S CB 0.186 63.351 63.200 -0.059 0.000 0.810 218 S HN 0.894 nan 8.310 nan 0.000 0.509 219 A N 0.841 123.458 122.820 -0.338 0.000 2.422 219 A HA 0.765 5.085 4.320 -0.000 0.000 0.302 219 A C -0.960 176.225 177.584 -0.666 0.000 1.041 219 A CA -0.480 51.215 52.037 -0.570 0.000 0.708 219 A CB 1.527 19.948 19.000 -0.965 0.000 1.257 219 A HN 0.353 nan 8.150 nan 0.000 0.414 220 Q N 1.393 121.019 119.800 -0.290 0.000 2.331 220 Q HA 0.655 4.995 4.340 -0.000 0.000 0.272 220 Q C -0.774 175.346 176.000 0.200 0.000 1.062 220 Q CA -0.394 55.393 55.803 -0.027 0.000 0.806 220 Q CB 2.061 30.793 28.738 -0.010 0.000 1.312 220 Q HN 0.793 nan 8.270 nan 0.000 0.431 221 S N 0.741 116.663 115.700 0.370 0.000 2.667 221 S HA 0.462 4.932 4.470 -0.000 0.000 0.292 221 S C 0.917 175.628 174.600 0.186 0.000 1.108 221 S CA -0.099 58.300 58.200 0.332 0.000 0.992 221 S CB 0.728 64.189 63.200 0.436 0.000 1.269 221 S HN 0.843 nan 8.310 nan 0.000 0.528 222 G N 0.160 109.048 108.800 0.145 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 -0.106 174.808 174.900 0.024 0.000 1.124 222 G CA 0.977 46.120 45.100 0.072 0.000 0.776 222 G HN 0.748 nan 8.290 nan 0.000 0.547 223 D N -2.964 117.443 120.400 0.012 0.000 2.682 223 D HA 0.143 4.783 4.640 -0.000 0.000 0.291 223 D C -0.685 175.447 176.300 -0.279 0.000 1.585 223 D CA -0.629 53.286 54.000 -0.142 0.000 0.845 223 D CB -0.368 40.296 40.800 -0.226 0.000 1.323 223 D HN 0.221 nan 8.370 nan 0.000 0.438 224 Y N 0.634 120.989 120.300 0.091 0.000 2.462 224 Y HA 0.730 5.280 4.550 -0.000 0.000 0.346 224 Y C -0.017 176.062 175.900 0.298 0.000 0.976 224 Y CA -0.810 57.371 58.100 0.135 0.000 1.044 224 Y CB 2.542 41.096 38.460 0.156 0.000 1.230 224 Y HN -0.200 nan 8.280 nan 0.000 0.455 225 S N 2.296 118.227 115.700 0.384 0.000 2.595 225 S HA 0.672 5.142 4.470 -0.000 0.000 0.281 225 S C -2.029 172.739 174.600 0.280 0.000 1.117 225 S CA -0.688 57.619 58.200 0.178 0.000 0.873 225 S CB 2.171 65.353 63.200 -0.031 0.000 1.108 225 S HN 0.443 nan 8.310 nan 0.000 0.477 226 L N 2.630 123.878 121.223 0.042 0.000 2.427 226 L HA 0.583 4.923 4.340 -0.000 0.000 0.264 226 L C -1.327 175.579 176.870 0.060 0.000 0.989 226 L CA -0.330 54.612 54.840 0.171 0.000 0.865 226 L CB 0.963 43.071 42.059 0.081 0.000 1.209 226 L HN 0.483 nan 8.230 nan 0.000 0.430 227 V N 5.353 125.334 119.914 0.110 0.000 2.644 227 V HA 0.457 4.577 4.120 -0.000 0.000 0.295 227 V C 0.303 176.447 176.094 0.082 0.000 1.053 227 V CA -0.405 61.959 62.300 0.106 0.000 0.987 227 V CB 1.712 33.665 31.823 0.216 0.000 1.006 227 V HN 0.529 nan 8.190 nan 0.000 0.472 228 I N 3.920 124.514 120.570 0.040 0.000 2.405 228 I HA 0.326 4.496 4.170 -0.000 0.000 0.280 228 I C -0.681 175.446 176.117 0.017 0.000 1.027 228 I CA -0.495 60.831 61.300 0.043 0.000 1.161 228 I CB 1.490 39.522 38.000 0.053 0.000 1.300 228 I HN 0.275 nan 8.210 nan 0.000 0.463 229 V N 5.103 125.050 119.914 0.054 0.000 2.348 229 V HA 0.609 4.729 4.120 -0.000 0.000 0.270 229 V C 0.168 176.321 176.094 0.099 0.000 1.037 229 V CA -0.022 62.286 62.300 0.013 0.000 0.872 229 V CB 1.077 32.924 31.823 0.039 0.000 1.002 229 V HN 0.841 nan 8.190 nan 0.000 0.464 230 T N 2.728 117.334 114.554 0.086 0.000 2.722 230 T HA 0.430 4.780 4.350 -0.000 0.000 0.314 230 T C -0.456 174.332 174.700 0.147 0.000 1.675 230 T CA 0.131 62.346 62.100 0.192 0.000 1.003 230 T CB 1.892 70.921 68.868 0.269 0.000 1.602 230 T HN 0.877 nan 8.240 nan 0.000 0.496 231 T N 0.550 115.256 114.554 0.254 0.000 2.934 231 T HA 0.568 4.918 4.350 -0.000 0.000 0.283 231 T C 1.046 175.819 174.700 0.122 0.000 1.005 231 T CA -0.498 61.679 62.100 0.128 0.000 1.041 231 T CB 0.655 69.598 68.868 0.126 0.000 1.042 231 T HN 0.403 nan 8.240 nan 0.000 0.505 232 F N 1.170 121.214 119.950 0.157 0.000 2.126 232 F HA -0.052 4.475 4.527 -0.000 0.000 0.299 232 F C 2.686 178.537 175.800 0.085 0.000 1.096 232 F CA 1.160 59.234 58.000 0.123 0.000 1.255 232 F CB -1.039 38.007 39.000 0.076 0.000 0.997 232 F HN 0.432 nan 8.300 nan 0.000 0.479 233 V N -0.463 119.572 119.914 0.200 0.000 2.324 233 V HA -0.333 3.787 4.120 -0.000 0.000 0.250 233 V C 2.407 178.551 176.094 0.083 0.000 1.060 233 V CA 2.175 64.515 62.300 0.067 0.000 1.042 233 V CB -0.876 30.903 31.823 -0.073 0.000 0.650 233 V HN 0.370 nan 8.190 nan 0.000 0.450 234 H N -1.488 117.739 119.070 0.262 0.000 2.343 234 H HA -0.090 4.466 4.556 -0.000 0.000 0.303 234 H C 2.186 177.664 175.328 0.249 0.000 1.068 234 H CA 1.775 57.996 56.048 0.289 0.000 1.359 234 H CB -0.687 29.320 29.762 0.408 0.000 1.402 234 H HN 0.503 nan 8.280 nan 0.000 0.515 235 Y N 1.801 122.237 120.300 0.228 0.000 2.283 235 Y HA -0.282 4.268 4.550 -0.000 0.000 0.285 235 Y C 2.508 178.433 175.900 0.041 0.000 1.176 235 Y CA 1.205 59.336 58.100 0.052 0.000 1.229 235 Y CB -0.357 37.897 38.460 -0.343 0.000 0.975 235 Y HN 0.201 nan 8.280 nan 0.000 0.537 236 A N 0.188 123.026 122.820 0.029 0.000 1.841 236 A HA -0.241 4.079 4.320 -0.000 0.000 0.214 236 A C 2.146 179.646 177.584 -0.139 0.000 1.195 236 A CA 1.757 53.753 52.037 -0.069 0.000 0.611 236 A CB -1.161 17.834 19.000 -0.009 0.000 0.835 236 A HN 0.577 nan 8.150 nan 0.000 0.443 237 N N -1.604 116.972 118.700 -0.206 0.000 2.348 237 N HA -0.138 4.602 4.740 -0.000 0.000 0.185 237 N C 1.165 176.450 175.510 -0.375 0.000 1.019 237 N CA 1.567 54.415 53.050 -0.338 0.000 0.880 237 N CB -0.317 37.691 38.487 -0.798 0.000 0.965 237 N HN 0.396 nan 8.380 nan 0.000 0.437 238 F N -0.629 119.110 119.950 -0.350 0.000 2.317 238 F HA 0.101 4.628 4.527 -0.000 0.000 0.293 238 F C 2.367 177.758 175.800 -0.682 0.000 1.085 238 F CA 0.710 58.350 58.000 -0.599 0.000 1.390 238 F CB -0.578 38.243 39.000 -0.298 0.000 1.077 238 F HN 0.265 nan 8.300 nan 0.000 0.517 239 H N 0.435 119.230 119.070 -0.459 0.000 2.543 239 H HA -0.095 4.461 4.556 -0.000 0.000 0.286 239 H C 1.396 176.546 175.328 -0.297 0.000 1.037 239 H CA 0.877 56.639 56.048 -0.476 0.000 1.250 239 H CB -0.077 29.319 29.762 -0.609 0.000 1.373 239 H HN 0.216 nan 8.280 nan 0.000 0.580 240 N N 0.231 118.822 118.700 -0.182 0.000 2.354 240 N HA -0.130 4.610 4.740 -0.000 0.000 0.179 240 N C 0.762 176.271 175.510 -0.002 0.000 1.021 240 N CA 1.204 54.226 53.050 -0.047 0.000 0.887 240 N CB 0.076 38.582 38.487 0.032 0.000 0.974 240 N HN 0.654 nan 8.380 nan 0.000 0.437 241 Y N -3.751 116.523 120.300 -0.044 0.000 2.666 241 Y HA 0.427 4.977 4.550 -0.000 0.000 0.260 241 Y C -0.597 175.334 175.900 0.052 0.000 1.089 241 Y CA -1.031 57.048 58.100 -0.034 0.000 1.246 241 Y CB -0.218 38.200 38.460 -0.068 0.000 1.353 241 Y HN -0.206 nan 8.280 nan 0.000 0.558 242 F N 2.191 121.883 119.950 -0.430 0.000 2.771 242 F HA 0.686 5.213 4.527 -0.000 0.000 0.365 242 F C -1.502 174.088 175.800 -0.350 0.000 1.169 242 F CA -2.011 55.799 58.000 -0.318 0.000 1.093 242 F CB 1.527 40.328 39.000 -0.332 0.000 1.363 242 F HN -0.171 nan 8.300 nan 0.000 0.496 243 V N 7.634 127.177 119.914 -0.617 0.000 2.260 243 V HA 0.293 4.413 4.120 -0.000 0.000 0.263 243 V C -1.998 173.770 176.094 -0.543 0.000 1.036 243 V CA -1.238 60.695 62.300 -0.613 0.000 0.874 243 V CB 0.376 31.927 31.823 -0.455 0.000 1.116 243 V HN 0.550 nan 8.190 nan 0.000 0.454 244 P HA 0.069 nan 4.420 nan 0.000 0.269 244 P C -0.103 177.085 177.300 -0.186 0.000 1.209 244 P CA -0.090 62.719 63.100 -0.484 0.000 0.776 244 P CB 0.933 32.280 31.700 -0.588 0.000 0.876 245 N N 2.496 121.162 118.700 -0.056 0.000 3.303 245 N HA 0.044 4.784 4.740 -0.000 0.000 0.304 245 N C 1.393 176.942 175.510 0.064 0.000 1.302 245 N CA -0.121 52.935 53.050 0.010 0.000 1.213 245 N CB -0.634 37.876 38.487 0.038 0.000 1.481 245 N HN 0.348 nan 8.380 nan 0.000 0.546 246 L N 0.569 121.824 121.223 0.052 0.000 2.151 246 L HA -0.344 3.996 4.340 -0.000 0.000 0.219 246 L C 2.254 179.219 176.870 0.159 0.000 1.083 246 L CA 1.622 56.525 54.840 0.106 0.000 0.782 246 L CB -0.388 41.705 42.059 0.057 0.000 0.891 246 L HN 0.356 nan 8.230 nan 0.000 0.439 247 K N 0.067 120.538 120.400 0.119 0.000 1.971 247 K HA -0.203 4.117 4.320 -0.000 0.000 0.221 247 K C 1.786 178.492 176.600 0.178 0.000 1.050 247 K CA 2.049 58.421 56.287 0.142 0.000 0.967 247 K CB -0.435 32.122 32.500 0.094 0.000 0.733 247 K HN 0.272 nan 8.250 nan 0.000 0.445 248 D N 0.608 121.083 120.400 0.126 0.000 2.144 248 D HA -0.169 4.471 4.640 -0.000 0.000 0.199 248 D C 1.795 178.167 176.300 0.120 0.000 0.984 248 D CA 1.057 55.118 54.000 0.101 0.000 0.834 248 D CB -0.219 40.626 40.800 0.075 0.000 0.955 248 D HN 0.191 nan 8.370 nan 0.000 0.465 249 M N -0.700 119.003 119.600 0.171 0.000 2.202 249 M HA -0.179 4.301 4.480 -0.000 0.000 0.262 249 M C 1.801 178.228 176.300 0.211 0.000 1.063 249 M CA 1.234 56.667 55.300 0.221 0.000 1.097 249 M CB 0.008 32.770 32.600 0.269 0.000 1.382 249 M HN 0.008 nan 8.290 nan 0.000 0.413 250 F N 0.054 120.047 119.950 0.072 0.000 2.147 250 F HA -0.043 4.484 4.527 -0.000 0.000 0.291 250 F C 2.258 178.053 175.800 -0.008 0.000 1.093 250 F CA 1.693 59.719 58.000 0.043 0.000 1.263 250 F CB -0.704 38.367 39.000 0.119 0.000 1.036 250 F HN 0.087 nan 8.300 nan 0.000 0.481 251 S N 0.786 116.493 115.700 0.011 0.000 2.359 251 S HA -0.284 4.186 4.470 -0.000 0.000 0.222 251 S C 2.136 176.616 174.600 -0.201 0.000 1.038 251 S CA 1.723 59.857 58.200 -0.110 0.000 1.051 251 S CB -0.614 62.602 63.200 0.025 0.000 0.944 251 S HN 0.348 nan 8.310 nan 0.000 0.433 252 R N 0.925 121.347 120.500 -0.129 0.000 2.139 252 R HA -0.085 4.255 4.340 -0.000 0.000 0.243 252 R C 2.082 178.244 176.300 -0.230 0.000 1.145 252 R CA 1.227 57.245 56.100 -0.136 0.000 0.976 252 R CB -0.353 29.863 30.300 -0.139 0.000 0.866 252 R HN 0.421 nan 8.270 nan 0.000 0.449 253 A N -0.630 121.949 122.820 -0.402 0.000 2.206 253 A HA 0.051 4.371 4.320 -0.000 0.000 0.211 253 A C 1.616 178.746 177.584 -0.757 0.000 1.158 253 A CA 0.575 52.090 52.037 -0.871 0.000 0.761 253 A CB 0.370 18.790 19.000 -0.968 0.000 0.801 253 A HN 0.184 nan 8.150 nan 0.000 0.473 254 V N -0.943 118.630 119.914 -0.568 0.000 2.840 254 V HA 0.008 4.128 4.120 -0.000 0.000 0.234 254 V C 1.369 177.287 176.094 -0.293 0.000 1.159 254 V CA 1.428 63.428 62.300 -0.501 0.000 1.194 254 V CB -0.298 31.166 31.823 -0.598 0.000 0.971 254 V HN 0.561 nan 8.190 nan 0.000 0.494 255 T N 0.371 114.797 114.554 -0.214 0.000 3.364 255 T HA 0.651 5.001 4.350 -0.000 0.000 0.323 255 T C -0.580 174.068 174.700 -0.087 0.000 1.323 255 T CA 0.121 62.157 62.100 -0.107 0.000 1.073 255 T CB -0.088 68.741 68.868 -0.065 0.000 1.150 255 T HN 0.284 nan 8.240 nan 0.000 0.727 256 M N 2.683 122.240 119.600 -0.072 0.000 2.363 256 M HA 0.200 4.680 4.480 -0.000 0.000 0.256 256 M C -0.252 176.066 176.300 0.029 0.000 1.005 256 M CA -0.301 54.991 55.300 -0.013 0.000 0.890 256 M CB 1.821 34.424 32.600 0.005 0.000 2.101 256 M HN 0.568 nan 8.290 nan 0.000 0.476 257 T N 2.584 117.192 114.554 0.089 0.000 2.937 257 T HA 0.350 4.700 4.350 -0.000 0.000 0.316 257 T C 1.216 176.019 174.700 0.172 0.000 1.079 257 T CA 0.933 63.134 62.100 0.169 0.000 1.131 257 T CB 0.963 69.962 68.868 0.219 0.000 1.000 257 T HN 0.832 nan 8.240 nan 0.000 0.549 258 A N 4.935 127.894 122.820 0.232 0.000 1.869 258 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 258 A C 2.782 180.388 177.584 0.036 0.000 1.203 258 A CA 2.725 54.848 52.037 0.143 0.000 0.638 258 A CB -1.682 17.451 19.000 0.222 0.000 0.831 258 A HN 1.438 nan 8.150 nan 0.000 0.450 259 A N -0.967 121.797 122.820 -0.093 0.000 1.892 259 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 259 A C 2.479 180.058 177.584 -0.008 0.000 1.188 259 A CA 2.454 54.407 52.037 -0.139 0.000 0.631 259 A CB -1.040 17.821 19.000 -0.232 0.000 0.822 259 A HN 0.514 nan 8.150 nan 0.000 0.447 260 S N -1.931 113.804 115.700 0.057 0.000 2.348 260 S HA -0.164 4.306 4.470 -0.000 0.000 0.221 260 S C 1.863 176.548 174.600 0.142 0.000 1.033 260 S CA 1.467 59.723 58.200 0.094 0.000 1.010 260 S CB -0.597 62.663 63.200 0.100 0.000 0.891 260 S HN 0.656 nan 8.310 nan 0.000 0.442 261 Y N 2.457 122.779 120.300 0.037 0.000 2.207 261 Y HA -0.221 4.329 4.550 -0.000 0.000 0.287 261 Y C 2.428 178.384 175.900 0.093 0.000 1.156 261 Y CA 0.903 59.052 58.100 0.082 0.000 1.182 261 Y CB -0.828 37.644 38.460 0.020 0.000 0.979 261 Y HN 0.226 nan 8.280 nan 0.000 0.521 262 A N 0.178 123.034 122.820 0.060 0.000 1.883 262 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 262 A C 2.350 179.873 177.584 -0.101 0.000 1.186 262 A CA 2.135 54.126 52.037 -0.077 0.000 0.624 262 A CB -0.786 18.130 19.000 -0.141 0.000 0.822 262 A HN 0.539 nan 8.150 nan 0.000 0.444 263 R N -2.052 118.425 120.500 -0.038 0.000 2.093 263 R HA -0.131 4.209 4.340 -0.000 0.000 0.224 263 R C 2.084 178.359 176.300 -0.041 0.000 1.101 263 R CA 1.530 57.617 56.100 -0.022 0.000 0.979 263 R CB -0.579 29.742 30.300 0.036 0.000 0.877 263 R HN 0.595 nan 8.270 nan 0.000 0.441 264 Y N 0.473 120.699 120.300 -0.123 0.000 2.193 264 Y HA -0.228 4.322 4.550 -0.000 0.000 0.285 264 Y C 1.637 177.428 175.900 -0.183 0.000 1.166 264 Y CA 1.794 59.808 58.100 -0.144 0.000 1.181 264 Y CB -0.371 37.980 38.460 -0.181 0.000 0.976 264 Y HN -0.090 nan 8.280 nan 0.000 0.520 265 V N 0.057 119.649 119.914 -0.536 0.000 2.346 265 V HA -0.228 3.892 4.120 -0.000 0.000 0.244 265 V C 2.409 178.317 176.094 -0.310 0.000 1.037 265 V CA 1.526 63.500 62.300 -0.543 0.000 1.029 265 V CB -0.874 30.732 31.823 -0.362 0.000 0.663 265 V HN 0.485 nan 8.190 nan 0.000 0.454 266 L N 0.065 121.170 121.223 -0.196 0.000 2.043 266 L HA -0.278 4.062 4.340 -0.000 0.000 0.212 266 L C 2.523 179.323 176.870 -0.118 0.000 1.075 266 L CA 2.093 56.863 54.840 -0.116 0.000 0.752 266 L CB -0.527 41.492 42.059 -0.068 0.000 0.891 266 L HN 0.373 nan 8.230 nan 0.000 0.432 267 Q N -0.916 118.800 119.800 -0.141 0.000 2.046 267 Q HA -0.241 4.099 4.340 -0.000 0.000 0.200 267 Q C 2.332 178.246 176.000 -0.142 0.000 0.975 267 Q CA 1.639 57.374 55.803 -0.113 0.000 0.836 267 Q CB -0.220 28.469 28.738 -0.081 0.000 0.896 267 Q HN 0.469 nan 8.270 nan 0.000 0.428 268 K N 0.614 120.861 120.400 -0.255 0.000 2.113 268 K HA -0.159 4.161 4.320 -0.000 0.000 0.208 268 K C 2.041 178.563 176.600 -0.130 0.000 1.047 268 K CA 1.039 57.185 56.287 -0.234 0.000 0.928 268 K CB -0.065 32.196 32.500 -0.398 0.000 0.716 268 K HN 0.187 nan 8.250 nan 0.000 0.446 269 L N 0.071 121.219 121.223 -0.124 0.000 2.027 269 L HA -0.169 4.170 4.340 -0.000 0.000 0.206 269 L C 2.309 179.129 176.870 -0.082 0.000 1.074 269 L CA 0.787 55.576 54.840 -0.084 0.000 0.745 269 L CB -0.565 41.441 42.059 -0.088 0.000 0.898 269 L HN -0.010 nan 8.230 nan 0.000 0.433 270 V N 0.490 120.357 119.914 -0.078 0.000 2.317 270 V HA -0.333 3.787 4.120 -0.000 0.000 0.251 270 V C 2.492 178.558 176.094 -0.045 0.000 1.065 270 V CA 2.048 64.311 62.300 -0.062 0.000 1.049 270 V CB -0.564 31.234 31.823 -0.042 0.000 0.651 270 V HN 0.362 nan 8.190 nan 0.000 0.450 271 L N -0.412 120.788 121.223 -0.039 0.000 1.970 271 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 271 L C 2.219 179.078 176.870 -0.018 0.000 1.071 271 L CA 1.997 56.825 54.840 -0.019 0.000 0.751 271 L CB -0.601 41.446 42.059 -0.020 0.000 0.889 271 L HN 0.170 nan 8.230 nan 0.000 0.432 272 L N -0.015 121.196 121.223 -0.021 0.000 2.127 272 L HA -0.224 4.116 4.340 -0.000 0.000 0.211 272 L C 2.590 179.446 176.870 -0.024 0.000 1.089 272 L CA 1.809 56.645 54.840 -0.006 0.000 0.757 272 L CB -0.890 41.182 42.059 0.021 0.000 0.899 272 L HN 0.484 nan 8.230 nan 0.000 0.434 273 E N -0.702 119.465 120.200 -0.055 0.000 2.047 273 E HA -0.212 4.138 4.350 -0.000 0.000 0.191 273 E C 2.218 178.788 176.600 -0.051 0.000 0.987 273 E CA 1.065 57.419 56.400 -0.076 0.000 0.799 273 E CB -0.066 29.570 29.700 -0.106 0.000 0.752 273 E HN 0.441 nan 8.360 nan 0.000 0.449 274 M N 0.102 119.682 119.600 -0.033 0.000 2.460 274 M HA -0.097 4.383 4.480 -0.000 0.000 0.263 274 M C 1.548 177.846 176.300 -0.003 0.000 1.071 274 M CA 1.021 56.315 55.300 -0.011 0.000 1.096 274 M CB 0.133 32.741 32.600 0.014 0.000 1.408 274 M HN -0.103 nan 8.290 nan 0.000 0.463 275 K N -0.155 120.241 120.400 -0.006 0.000 2.417 275 K HA 0.145 4.465 4.320 -0.000 0.000 0.196 275 K C 1.097 177.695 176.600 -0.003 0.000 1.023 275 K CA 0.427 56.714 56.287 -0.000 0.000 1.122 275 K CB 0.212 32.714 32.500 0.004 0.000 0.850 275 K HN 0.485 nan 8.250 nan 0.000 0.521 276 G N 0.883 109.676 108.800 -0.012 0.000 2.189 276 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.267 276 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.267 276 G C 0.800 175.698 174.900 -0.003 0.000 0.975 276 G CA 0.260 45.353 45.100 -0.013 0.000 0.644 276 G HN 0.474 nan 8.290 nan 0.000 0.537 277 G N -0.817 107.987 108.800 0.007 0.000 2.807 277 G HA2 0.086 4.046 3.960 -0.000 0.000 0.207 277 G HA3 0.086 4.046 3.960 -0.000 0.000 0.207 277 G C 1.241 176.185 174.900 0.075 0.000 1.151 277 G CA 1.479 46.605 45.100 0.045 0.000 0.800 277 G HN 0.743 nan 8.290 nan 0.000 0.523 278 c N -0.761 117.840 118.600 0.002 0.000 2.974 278 c HA 0.418 4.988 4.570 -0.000 0.000 0.282 278 c C 1.968 176.056 174.090 -0.004 0.000 1.292 278 c CA -0.365 55.940 56.329 -0.040 0.000 1.710 278 c CB -0.590 41.839 42.510 -0.134 0.000 2.036 278 c HN 0.538 nan 8.230 nan 0.000 0.629 279 R N -0.427 120.081 120.500 0.013 0.000 2.637 279 R HA 0.107 4.447 4.340 -0.000 0.000 0.262 279 R C -0.041 176.267 176.300 0.013 0.000 0.959 279 R CA 0.101 56.206 56.100 0.008 0.000 1.061 279 R CB 0.401 30.695 30.300 -0.010 0.000 1.610 279 R HN 0.185 nan 8.270 nan 0.000 0.548 280 E N 1.369 121.578 120.200 0.016 0.000 4.044 280 E HA 0.217 4.567 4.350 -0.000 0.000 0.216 280 E C -2.610 173.995 176.600 0.008 0.000 1.104 280 E CA -1.758 54.643 56.400 0.002 0.000 1.383 280 E CB 1.361 31.056 29.700 -0.008 0.000 1.195 280 E HN -0.022 nan 8.360 nan 0.000 0.442 281 P HA -0.113 nan 4.420 nan 0.000 0.235 281 P C -0.085 177.176 177.300 -0.065 0.000 1.080 281 P CA 0.544 63.669 63.100 0.042 0.000 1.096 281 P CB 0.005 31.731 31.700 0.043 0.000 1.085 282 E N 2.751 122.918 120.200 -0.055 0.000 2.344 282 E HA 0.102 4.452 4.350 -0.000 0.000 0.270 282 E C -0.126 176.364 176.600 -0.184 0.000 1.021 282 E CA -0.011 56.326 56.400 -0.104 0.000 0.887 282 E CB 0.181 29.846 29.700 -0.058 0.000 0.997 282 E HN 0.349 nan 8.360 nan 0.000 0.429 283 L N 5.529 126.585 121.223 -0.277 0.000 2.466 283 L HA 0.217 4.557 4.340 -0.000 0.000 0.248 283 L C -0.507 176.221 176.870 -0.237 0.000 1.240 283 L CA -0.310 54.275 54.840 -0.426 0.000 1.180 283 L CB -0.652 40.997 42.059 -0.683 0.000 1.413 283 L HN 0.555 nan 8.230 nan 0.000 0.406 284 D N -2.789 117.547 120.400 -0.106 0.000 2.525 284 D HA 0.298 4.938 4.640 -0.000 0.000 0.249 284 D C 1.284 177.645 176.300 0.100 0.000 1.072 284 D CA -0.265 53.748 54.000 0.021 0.000 1.067 284 D CB 0.695 41.497 40.800 0.003 0.000 1.282 284 D HN 0.098 nan 8.370 nan 0.000 0.587 285 T N -2.586 112.054 114.554 0.143 0.000 2.665 285 T HA -0.298 4.052 4.350 -0.000 0.000 0.268 285 T C 1.515 176.320 174.700 0.174 0.000 1.035 285 T CA 1.757 63.978 62.100 0.201 0.000 1.151 285 T CB -0.671 68.214 68.868 0.027 0.000 0.862 285 T HN 0.618 nan 8.240 nan 0.000 0.438 286 E N 0.940 121.196 120.200 0.093 0.000 2.023 286 E HA -0.197 4.153 4.350 -0.000 0.000 0.196 286 E C 2.348 179.000 176.600 0.086 0.000 1.003 286 E CA 1.925 58.374 56.400 0.082 0.000 0.809 286 E CB -0.517 29.212 29.700 0.050 0.000 0.755 286 E HN 0.581 nan 8.360 nan 0.000 0.449 287 T N 1.205 115.790 114.554 0.053 0.000 2.720 287 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 287 T C 1.824 176.531 174.700 0.011 0.000 1.037 287 T CA 1.239 63.361 62.100 0.035 0.000 1.144 287 T CB -0.228 68.625 68.868 -0.025 0.000 0.864 287 T HN 0.070 nan 8.240 nan 0.000 0.444 288 L N 0.669 121.878 121.223 -0.023 0.000 2.093 288 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 288 L C 2.787 179.704 176.870 0.079 0.000 1.085 288 L CA 1.559 56.311 54.840 -0.146 0.000 0.755 288 L CB -1.014 40.741 42.059 -0.507 0.000 0.904 288 L HN 0.237 nan 8.230 nan 0.000 0.435 289 T N -1.352 113.370 114.554 0.280 0.000 2.674 289 T HA -0.223 4.127 4.350 -0.000 0.000 0.265 289 T C 1.883 176.745 174.700 0.270 0.000 1.039 289 T CA 2.136 64.452 62.100 0.360 0.000 1.150 289 T CB -0.567 68.468 68.868 0.279 0.000 0.864 289 T HN 0.615 nan 8.240 nan 0.000 0.427 290 T N 1.383 116.036 114.554 0.165 0.000 2.685 290 T HA -0.215 4.135 4.350 -0.000 0.000 0.268 290 T C 2.012 176.797 174.700 0.142 0.000 1.034 290 T CA 1.534 63.698 62.100 0.107 0.000 1.149 290 T CB -0.732 68.177 68.868 0.067 0.000 0.860 290 T HN 0.285 nan 8.240 nan 0.000 0.449 291 M N 0.152 119.837 119.600 0.141 0.000 2.082 291 M HA 0.008 4.488 4.480 -0.000 0.000 0.258 291 M C 2.163 178.582 176.300 0.198 0.000 1.071 291 M CA 2.283 57.659 55.300 0.128 0.000 1.103 291 M CB -0.703 31.843 32.600 -0.091 0.000 1.307 291 M HN 0.299 nan 8.290 nan 0.000 0.409 292 F N 1.420 121.350 119.950 -0.035 0.000 2.126 292 F HA -0.210 4.317 4.527 -0.000 0.000 0.299 292 F C 2.152 178.102 175.800 0.252 0.000 1.096 292 F CA 1.784 59.863 58.000 0.133 0.000 1.255 292 F CB -0.397 38.686 39.000 0.139 0.000 0.997 292 F HN 0.197 nan 8.300 nan 0.000 0.479 293 E N -0.439 119.830 120.200 0.115 0.000 2.204 293 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 293 E C 2.383 179.041 176.600 0.098 0.000 0.989 293 E CA 1.256 57.700 56.400 0.073 0.000 0.824 293 E CB -0.360 29.410 29.700 0.117 0.000 0.756 293 E HN 0.325 nan 8.360 nan 0.000 0.477 294 V N 1.743 121.736 119.914 0.133 0.000 2.407 294 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 294 V C 2.535 178.809 176.094 0.300 0.000 1.055 294 V CA 2.138 64.554 62.300 0.194 0.000 1.049 294 V CB -0.435 31.519 31.823 0.218 0.000 0.662 294 V HN 0.358 nan 8.190 nan 0.000 0.455 295 S N -0.809 115.038 115.700 0.244 0.000 2.414 295 S HA -0.073 4.397 4.470 -0.000 0.000 0.227 295 S C 1.882 176.621 174.600 0.233 0.000 1.022 295 S CA 1.122 59.453 58.200 0.220 0.000 0.958 295 S CB -0.125 63.185 63.200 0.184 0.000 0.797 295 S HN 0.313 nan 8.310 nan 0.000 0.493 296 V N 2.475 122.444 119.914 0.091 0.000 2.515 296 V HA -0.063 4.056 4.120 -0.000 0.000 0.250 296 V C 3.090 179.375 176.094 0.318 0.000 1.058 296 V CA 1.489 63.860 62.300 0.117 0.000 1.064 296 V CB -1.433 30.280 31.823 -0.183 0.000 0.675 296 V HN 0.644 nan 8.190 nan 0.000 0.461 297 A N -0.395 122.686 122.820 0.435 0.000 1.902 297 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 297 A C 2.032 179.705 177.584 0.148 0.000 1.181 297 A CA 1.803 54.065 52.037 0.375 0.000 0.623 297 A CB -0.671 18.439 19.000 0.183 0.000 0.818 297 A HN 0.465 nan 8.150 nan 0.000 0.443 298 F N -1.655 118.358 119.950 0.105 0.000 2.206 298 F HA -0.029 4.498 4.527 -0.000 0.000 0.298 298 F C 1.974 177.849 175.800 0.126 0.000 1.090 298 F CA 1.341 59.369 58.000 0.046 0.000 1.323 298 F CB -0.498 38.520 39.000 0.029 0.000 1.028 298 F HN 0.365 nan 8.300 nan 0.000 0.492 299 F N 1.204 121.298 119.950 0.240 0.000 2.102 299 F HA -0.171 4.356 4.527 -0.000 0.000 0.298 299 F C 2.299 178.231 175.800 0.220 0.000 1.105 299 F CA 1.519 59.652 58.000 0.221 0.000 1.239 299 F CB -0.579 38.536 39.000 0.192 0.000 0.991 299 F HN -0.283 nan 8.300 nan 0.000 0.474 300 K N 0.569 120.926 120.400 -0.071 0.000 2.034 300 K HA -0.171 4.149 4.320 -0.000 0.000 0.214 300 K C 2.225 178.789 176.600 -0.060 0.000 1.051 300 K CA 1.825 58.011 56.287 -0.167 0.000 0.931 300 K CB -1.074 31.388 32.500 -0.062 0.000 0.715 300 K HN 0.285 nan 8.250 nan 0.000 0.446 301 V N 0.367 120.271 119.914 -0.018 0.000 2.332 301 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 301 V C 2.472 178.622 176.094 0.093 0.000 1.055 301 V CA 2.223 64.527 62.300 0.006 0.000 1.038 301 V CB -1.009 30.673 31.823 -0.234 0.000 0.651 301 V HN 0.467 nan 8.190 nan 0.000 0.450 302 G N -1.608 107.276 108.800 0.140 0.000 2.408 302 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.217 302 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.217 302 G C 1.554 176.579 174.900 0.210 0.000 1.150 302 G CA 0.821 46.127 45.100 0.343 0.000 0.776 302 G HN 0.611 nan 8.290 nan 0.000 0.542 303 H N 0.684 119.678 119.070 -0.128 0.000 2.524 303 H HA 0.173 4.729 4.556 -0.000 0.000 0.282 303 H C 2.594 177.864 175.328 -0.097 0.000 1.016 303 H CA 0.853 56.768 56.048 -0.222 0.000 1.270 303 H CB 0.243 29.616 29.762 -0.649 0.000 1.394 303 H HN 0.347 nan 8.280 nan 0.000 0.568 304 A N 0.308 123.110 122.820 -0.030 0.000 1.840 304 A HA -0.072 4.248 4.320 -0.000 0.000 0.214 304 A C 2.593 180.146 177.584 -0.052 0.000 1.198 304 A CA 1.198 53.215 52.037 -0.033 0.000 0.608 304 A CB -0.810 18.262 19.000 0.119 0.000 0.839 304 A HN 0.248 nan 8.150 nan 0.000 0.443 305 V N 0.323 120.269 119.914 0.053 0.000 2.867 305 V HA -0.140 3.980 4.120 -0.000 0.000 0.260 305 V C 2.562 178.643 176.094 -0.021 0.000 1.099 305 V CA 1.614 63.949 62.300 0.058 0.000 1.122 305 V CB -1.345 30.582 31.823 0.173 0.000 0.708 305 V HN 0.620 nan 8.190 nan 0.000 0.490 306 G N -0.414 108.338 108.800 -0.080 0.000 2.404 306 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.213 306 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.213 306 G C 1.420 176.213 174.900 -0.180 0.000 1.189 306 G CA 0.317 45.331 45.100 -0.144 0.000 0.796 306 G HN 0.447 nan 8.290 nan 0.000 0.532 307 E N 0.882 120.922 120.200 -0.266 0.000 2.114 307 E HA -0.136 4.214 4.350 -0.000 0.000 0.199 307 E C 1.952 178.464 176.600 -0.146 0.000 1.008 307 E CA 1.557 57.819 56.400 -0.230 0.000 0.810 307 E CB -0.770 28.778 29.700 -0.254 0.000 0.739 307 E HN 0.523 nan 8.360 nan 0.000 0.456 308 T N -0.517 113.960 114.554 -0.130 0.000 3.783 308 T HA 0.433 4.783 4.350 -0.000 0.000 0.262 308 T C 0.551 175.206 174.700 -0.076 0.000 1.381 308 T CA -0.167 61.873 62.100 -0.101 0.000 1.155 308 T CB 0.036 68.839 68.868 -0.108 0.000 1.256 308 T HN 0.051 nan 8.240 nan 0.000 0.807 309 G N 1.555 110.311 108.800 -0.074 0.000 2.398 309 G HA2 0.272 4.232 3.960 -0.000 0.000 0.246 309 G HA3 0.272 4.232 3.960 -0.000 0.000 0.246 309 G C 0.620 175.492 174.900 -0.047 0.000 1.289 309 G CA -0.693 44.372 45.100 -0.058 0.000 0.869 309 G HN 0.594 nan 8.290 nan 0.000 0.543 310 N N -0.048 118.629 118.700 -0.039 0.000 2.714 310 N HA -0.171 4.569 4.740 -0.000 0.000 0.250 310 N C 0.916 176.406 175.510 -0.034 0.000 1.117 310 N CA 1.300 54.331 53.050 -0.033 0.000 0.719 310 N CB -1.109 37.360 38.487 -0.029 0.000 1.081 310 N HN 0.886 nan 8.380 nan 0.000 0.557 311 G N -0.981 107.795 108.800 -0.040 0.000 2.890 311 G HA2 0.612 4.572 3.960 -0.000 0.000 0.189 311 G HA3 0.612 4.572 3.960 -0.000 0.000 0.189 311 G C -0.733 174.145 174.900 -0.037 0.000 1.342 311 G CA 0.120 45.194 45.100 -0.043 0.000 1.026 311 G HN 0.388 nan 8.290 nan 0.000 0.579 312 c N 0.339 118.914 118.600 -0.041 0.000 2.716 312 c HA 0.555 5.125 4.570 -0.000 0.000 0.366 312 c C -0.363 173.709 174.090 -0.030 0.000 1.073 312 c CA -0.757 55.555 56.329 -0.028 0.000 1.260 312 c CB 0.294 42.790 42.510 -0.023 0.000 1.755 312 c HN 0.790 nan 8.230 nan 0.000 0.475 313 V N 2.777 122.689 119.914 -0.003 0.000 2.432 313 V HA 0.457 4.577 4.120 -0.000 0.000 0.275 313 V C 0.163 176.303 176.094 0.077 0.000 1.043 313 V CA -0.163 62.149 62.300 0.019 0.000 0.925 313 V CB 1.292 33.177 31.823 0.103 0.000 0.985 313 V HN 0.871 nan 8.190 nan 0.000 0.466 314 D N 3.097 123.547 120.400 0.084 0.000 2.488 314 D HA 0.013 4.652 4.640 -0.000 0.000 0.238 314 D C 0.776 177.196 176.300 0.201 0.000 1.138 314 D CA -0.109 53.961 54.000 0.116 0.000 0.873 314 D CB 1.266 42.128 40.800 0.104 0.000 1.183 314 D HN 0.607 nan 8.370 nan 0.000 0.458 315 L N 4.507 125.826 121.223 0.160 0.000 2.187 315 L HA -0.105 4.235 4.340 -0.000 0.000 0.213 315 L C 2.048 179.118 176.870 0.332 0.000 1.100 315 L CA 1.634 56.598 54.840 0.206 0.000 0.765 315 L CB -0.277 41.900 42.059 0.196 0.000 0.904 315 L HN 0.479 nan 8.230 nan 0.000 0.437 316 R N -1.493 119.187 120.500 0.300 0.000 2.092 316 R HA -0.221 4.119 4.340 -0.000 0.000 0.231 316 R C 2.168 178.646 176.300 0.297 0.000 1.119 316 R CA 1.708 58.004 56.100 0.327 0.000 0.970 316 R CB -0.804 29.506 30.300 0.017 0.000 0.864 316 R HN 0.608 nan 8.270 nan 0.000 0.440 317 W N 2.218 123.591 121.300 0.123 0.000 2.355 317 W HA -0.176 4.484 4.660 -0.000 0.000 0.309 317 W C 1.470 178.084 176.519 0.158 0.000 1.206 317 W CA 1.391 58.805 57.345 0.114 0.000 1.284 317 W CB -0.224 29.285 29.460 0.082 0.000 1.145 317 W HN 0.046 nan 8.180 nan 0.000 0.502 318 L N 1.231 122.579 121.223 0.208 0.000 2.005 318 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 318 L C 2.923 179.854 176.870 0.102 0.000 1.072 318 L CA 1.558 56.502 54.840 0.175 0.000 0.744 318 L CB -1.756 40.387 42.059 0.140 0.000 0.895 318 L HN -0.077 nan 8.230 nan 0.000 0.433 319 A N -0.058 122.810 122.820 0.079 0.000 2.032 319 A HA -0.270 4.050 4.320 -0.000 0.000 0.221 319 A C 2.444 180.043 177.584 0.024 0.000 1.165 319 A CA 2.231 54.274 52.037 0.010 0.000 0.645 319 A CB -0.450 18.497 19.000 -0.090 0.000 0.807 319 A HN 0.420 nan 8.150 nan 0.000 0.453 320 K N -1.187 119.210 120.400 -0.005 0.000 2.121 320 K HA 0.025 4.345 4.320 -0.000 0.000 0.203 320 K C 2.255 178.800 176.600 -0.091 0.000 1.041 320 K CA 1.020 57.285 56.287 -0.036 0.000 0.969 320 K CB -0.055 32.387 32.500 -0.096 0.000 0.799 320 K HN 0.393 nan 8.250 nan 0.000 0.456 321 S N 0.771 116.262 115.700 -0.349 0.000 2.348 321 S HA -0.086 4.384 4.470 -0.000 0.000 0.221 321 S C 1.634 176.090 174.600 -0.240 0.000 1.033 321 S CA 1.326 59.266 58.200 -0.433 0.000 1.010 321 S CB -0.381 62.368 63.200 -0.752 0.000 0.891 321 S HN 0.263 nan 8.310 nan 0.000 0.442 322 F N 0.695 120.534 119.950 -0.185 0.000 2.408 322 F HA -0.016 4.511 4.527 -0.000 0.000 0.300 322 F C 1.800 177.540 175.800 -0.100 0.000 1.090 322 F CA 0.608 58.533 58.000 -0.126 0.000 1.427 322 F CB -0.281 38.682 39.000 -0.063 0.000 1.070 322 F HN 0.214 nan 8.300 nan 0.000 0.549 323 F N 1.251 121.170 119.950 -0.051 0.000 2.098 323 F HA -0.125 4.402 4.527 -0.000 0.000 0.294 323 F C 2.302 178.003 175.800 -0.165 0.000 1.107 323 F CA 1.460 59.395 58.000 -0.108 0.000 1.234 323 F CB -0.565 38.367 39.000 -0.112 0.000 1.002 323 F HN -0.196 nan 8.300 nan 0.000 0.472 324 E N 0.872 120.848 120.200 -0.372 0.000 2.219 324 E HA -0.204 4.146 4.350 -0.000 0.000 0.198 324 E C 2.407 178.727 176.600 -0.467 0.000 0.998 324 E CA 1.257 57.386 56.400 -0.450 0.000 0.818 324 E CB -0.558 29.013 29.700 -0.215 0.000 0.741 324 E HN 0.501 nan 8.360 nan 0.000 0.477 325 L N 0.262 121.199 121.223 -0.477 0.000 2.095 325 L HA -0.098 4.241 4.340 -0.000 0.000 0.204 325 L C 2.475 179.156 176.870 -0.315 0.000 1.080 325 L CA 1.194 55.685 54.840 -0.582 0.000 0.759 325 L CB -0.514 41.078 42.059 -0.780 0.000 0.914 325 L HN 0.078 nan 8.230 nan 0.000 0.439 326 T N -0.585 113.805 114.554 -0.273 0.000 2.708 326 T HA -0.219 4.131 4.350 -0.000 0.000 0.266 326 T C 1.879 176.398 174.700 -0.302 0.000 1.037 326 T CA 1.602 63.586 62.100 -0.194 0.000 1.146 326 T CB -0.346 68.424 68.868 -0.164 0.000 0.865 326 T HN 0.172 nan 8.240 nan 0.000 0.435 327 V N 1.205 120.780 119.914 -0.566 0.000 2.407 327 V HA -0.076 4.044 4.120 -0.000 0.000 0.248 327 V C 2.231 178.163 176.094 -0.271 0.000 1.055 327 V CA 1.441 63.385 62.300 -0.592 0.000 1.049 327 V CB -0.478 30.822 31.823 -0.872 0.000 0.662 327 V HN 0.380 nan 8.190 nan 0.000 0.455 328 L N 0.805 121.895 121.223 -0.222 0.000 2.027 328 L HA -0.127 4.213 4.340 -0.000 0.000 0.206 328 L C 2.536 179.429 176.870 0.039 0.000 1.074 328 L CA 2.678 57.474 54.840 -0.072 0.000 0.745 328 L CB -0.982 41.034 42.059 -0.072 0.000 0.898 328 L HN 0.399 nan 8.230 nan 0.000 0.433 329 K N -0.724 119.741 120.400 0.107 0.000 2.113 329 K HA -0.228 4.092 4.320 -0.000 0.000 0.208 329 K C 1.656 178.272 176.600 0.026 0.000 1.047 329 K CA 1.917 58.283 56.287 0.132 0.000 0.928 329 K CB -0.238 32.362 32.500 0.167 0.000 0.716 329 K HN 0.456 nan 8.250 nan 0.000 0.446 330 D N 0.932 121.316 120.400 -0.026 0.000 2.084 330 D HA -0.181 4.459 4.640 -0.000 0.000 0.196 330 D C 1.969 178.241 176.300 -0.046 0.000 0.985 330 D CA 1.199 55.174 54.000 -0.043 0.000 0.826 330 D CB -0.210 40.550 40.800 -0.068 0.000 0.978 330 D HN 0.328 nan 8.370 nan 0.000 0.456 331 I N 0.914 121.453 120.570 -0.051 0.000 2.286 331 I HA -0.233 3.937 4.170 -0.000 0.000 0.248 331 I C 2.177 178.229 176.117 -0.108 0.000 1.115 331 I CA 0.904 62.157 61.300 -0.078 0.000 1.392 331 I CB 0.037 37.995 38.000 -0.069 0.000 1.065 331 I HN -0.098 nan 8.210 nan 0.000 0.418 332 I N 0.702 121.242 120.570 -0.050 0.000 2.361 332 I HA -0.211 3.959 4.170 -0.000 0.000 0.251 332 I C 2.421 178.531 176.117 -0.011 0.000 1.133 332 I CA 1.477 62.768 61.300 -0.014 0.000 1.413 332 I CB -0.707 37.335 38.000 0.071 0.000 1.073 332 I HN 0.343 nan 8.210 nan 0.000 0.424 333 G N 0.624 109.413 108.800 -0.019 0.000 2.441 333 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.212 333 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.212 333 G C 1.657 176.536 174.900 -0.036 0.000 1.164 333 G CA 0.113 45.209 45.100 -0.007 0.000 0.811 333 G HN 0.264 nan 8.290 nan 0.000 0.535 334 I N 0.237 120.765 120.570 -0.070 0.000 2.286 334 I HA -0.176 3.994 4.170 -0.000 0.000 0.248 334 I C 2.833 178.879 176.117 -0.120 0.000 1.115 334 I CA 0.576 61.824 61.300 -0.086 0.000 1.392 334 I CB -0.286 37.656 38.000 -0.097 0.000 1.065 334 I HN 0.320 nan 8.210 nan 0.000 0.418 335 c N 0.124 118.597 118.600 -0.212 0.000 2.675 335 c HA -0.072 4.498 4.570 -0.000 0.000 0.285 335 c C 1.077 175.025 174.090 -0.237 0.000 1.282 335 c CA 0.196 56.308 56.329 -0.361 0.000 1.708 335 c CB -0.548 41.521 42.510 -0.736 0.000 2.134 335 c HN 0.269 nan 8.230 nan 0.000 0.494 336 Y N -0.085 120.220 120.300 0.009 0.000 2.419 336 Y HA 0.471 5.021 4.550 -0.000 0.000 0.328 336 Y C 1.124 177.033 175.900 0.016 0.000 1.162 336 Y CA -0.702 57.412 58.100 0.022 0.000 1.174 336 Y CB 0.248 38.738 38.460 0.049 0.000 1.228 336 Y HN 0.288 nan 8.280 nan 0.000 0.473 337 G N 0.807 109.718 108.800 0.185 0.000 3.356 337 G HA2 0.348 4.308 3.960 -0.000 0.000 0.239 337 G HA3 0.348 4.308 3.960 -0.000 0.000 0.239 337 G C 0.188 175.143 174.900 0.092 0.000 1.252 337 G CA 0.074 45.232 45.100 0.097 0.000 1.611 337 G HN 0.749 nan 8.290 nan 0.000 0.580 338 A N 0.394 123.291 122.820 0.129 0.000 2.340 338 A HA 0.760 5.080 4.320 -0.000 0.000 0.268 338 A C 0.480 178.091 177.584 0.045 0.000 1.100 338 A CA -0.109 51.987 52.037 0.099 0.000 0.803 338 A CB 0.819 19.918 19.000 0.166 0.000 1.043 338 A HN 0.283 nan 8.150 nan 0.000 0.488 339 T N 0.288 114.852 114.554 0.017 0.000 2.916 339 T HA 0.642 4.992 4.350 -0.000 0.000 0.292 339 T C -0.763 173.917 174.700 -0.033 0.000 1.055 339 T CA -0.509 61.592 62.100 0.001 0.000 1.009 339 T CB 1.638 70.516 68.868 0.018 0.000 1.118 339 T HN 0.604 nan 8.240 nan 0.000 0.497 340 V N 2.101 121.972 119.914 -0.072 0.000 2.686 340 V HA 0.737 4.857 4.120 -0.000 0.000 0.306 340 V C -0.833 175.177 176.094 -0.139 0.000 1.065 340 V CA -1.039 61.156 62.300 -0.175 0.000 0.894 340 V CB 1.868 33.492 31.823 -0.331 0.000 1.004 340 V HN 1.006 nan 8.190 nan 0.000 0.424 341 K N 2.371 122.636 120.400 -0.225 0.000 2.550 341 K HA 0.736 5.056 4.320 -0.000 0.000 0.252 341 K C 0.151 176.639 176.600 -0.187 0.000 0.943 341 K CA -0.122 56.049 56.287 -0.192 0.000 0.806 341 K CB 2.005 34.282 32.500 -0.372 0.000 1.289 341 K HN 1.278 nan 8.250 nan 0.000 0.435 342 G N 2.185 111.046 108.800 0.101 0.000 2.192 342 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.193 342 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.193 342 G C 0.032 174.863 174.900 -0.114 0.000 0.999 342 G CA 0.004 45.148 45.100 0.074 0.000 0.659 342 G HN 0.469 nan 8.290 nan 0.000 0.503 343 M N 0.895 120.500 119.600 0.008 0.000 2.911 343 M HA 0.437 4.917 4.480 -0.000 0.000 0.381 343 M C -0.025 176.429 176.300 0.256 0.000 1.287 343 M CA -0.029 55.322 55.300 0.085 0.000 0.858 343 M CB 0.511 33.252 32.600 0.234 0.000 1.385 343 M HN 0.466 nan 8.290 nan 0.000 0.504 344 Q N 0.917 120.862 119.800 0.242 0.000 2.345 344 Q HA 0.583 4.923 4.340 -0.000 0.000 0.275 344 Q C -1.130 174.963 176.000 0.156 0.000 1.063 344 Q CA -0.279 55.690 55.803 0.277 0.000 0.819 344 Q CB 2.349 31.207 28.738 0.200 0.000 1.356 344 Q HN 0.324 nan 8.270 nan 0.000 0.418 345 S N 1.885 117.619 115.700 0.057 0.000 2.707 345 S HA 0.218 4.688 4.470 -0.000 0.000 0.303 345 S C 0.213 174.737 174.600 -0.127 0.000 1.132 345 S CA -0.658 57.494 58.200 -0.080 0.000 1.046 345 S CB 0.332 63.429 63.200 -0.171 0.000 1.004 345 S HN 0.808 nan 8.310 nan 0.000 0.483 346 Y N 2.449 122.701 120.300 -0.079 0.000 2.384 346 Y HA 0.120 4.670 4.550 -0.000 0.000 0.289 346 Y C 1.693 177.542 175.900 -0.084 0.000 1.152 346 Y CA 1.070 59.123 58.100 -0.078 0.000 1.258 346 Y CB -1.023 37.383 38.460 -0.090 0.000 0.979 346 Y HN 0.670 nan 8.280 nan 0.000 0.549 347 G N 1.635 110.041 108.800 -0.657 0.000 2.464 347 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.214 347 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.214 347 G C 1.471 176.220 174.900 -0.251 0.000 1.218 347 G CA 1.064 45.883 45.100 -0.467 0.000 0.794 347 G HN 0.462 nan 8.290 nan 0.000 0.542 348 L N 0.926 121.982 121.223 -0.278 0.000 2.129 348 L HA -0.103 4.237 4.340 -0.000 0.000 0.212 348 L C 2.578 179.340 176.870 -0.181 0.000 1.087 348 L CA 2.219 56.902 54.840 -0.262 0.000 0.757 348 L CB -0.499 41.295 42.059 -0.442 0.000 0.896 348 L HN 0.419 nan 8.230 nan 0.000 0.434 349 E N -0.827 119.293 120.200 -0.132 0.000 2.046 349 E HA -0.206 4.144 4.350 -0.000 0.000 0.190 349 E C 2.342 178.919 176.600 -0.039 0.000 0.982 349 E CA 1.018 57.383 56.400 -0.059 0.000 0.800 349 E CB -0.171 29.527 29.700 -0.003 0.000 0.756 349 E HN 0.486 nan 8.360 nan 0.000 0.449 350 R N 0.508 120.992 120.500 -0.026 0.000 2.096 350 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 350 R C 2.470 178.749 176.300 -0.035 0.000 1.127 350 R CA 0.759 56.852 56.100 -0.011 0.000 0.968 350 R CB -0.248 30.065 30.300 0.022 0.000 0.861 350 R HN 0.099 nan 8.270 nan 0.000 0.440 351 L N 0.384 121.569 121.223 -0.064 0.000 1.994 351 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 351 L C 2.244 179.080 176.870 -0.055 0.000 1.071 351 L CA 2.169 56.970 54.840 -0.065 0.000 0.745 351 L CB -0.637 41.369 42.059 -0.088 0.000 0.892 351 L HN 0.140 nan 8.230 nan 0.000 0.431 352 A N -0.420 122.357 122.820 -0.071 0.000 1.908 352 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 352 A C 2.452 180.002 177.584 -0.056 0.000 1.181 352 A CA 2.165 54.157 52.037 -0.076 0.000 0.627 352 A CB -1.342 17.605 19.000 -0.089 0.000 0.818 352 A HN 0.631 nan 8.150 nan 0.000 0.445 353 A N -0.497 122.298 122.820 -0.042 0.000 1.865 353 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 353 A C 2.311 179.879 177.584 -0.026 0.000 1.191 353 A CA 2.028 54.045 52.037 -0.034 0.000 0.623 353 A CB -0.608 18.373 19.000 -0.031 0.000 0.826 353 A HN 0.544 nan 8.150 nan 0.000 0.444 354 M N -1.093 118.495 119.600 -0.020 0.000 2.086 354 M HA -0.126 4.354 4.480 -0.000 0.000 0.261 354 M C 2.362 178.659 176.300 -0.006 0.000 1.067 354 M CA 1.745 57.040 55.300 -0.008 0.000 1.116 354 M CB -0.553 32.045 32.600 -0.002 0.000 1.348 354 M HN 0.538 nan 8.290 nan 0.000 0.407 355 L N 0.294 121.510 121.223 -0.011 0.000 2.013 355 L HA -0.289 4.051 4.340 -0.000 0.000 0.212 355 L C 2.590 179.458 176.870 -0.004 0.000 1.073 355 L CA 1.427 56.266 54.840 -0.002 0.000 0.753 355 L CB -0.189 41.866 42.059 -0.005 0.000 0.890 355 L HN 0.308 nan 8.230 nan 0.000 0.432 356 M N -0.434 119.152 119.600 -0.022 0.000 2.108 356 M HA -0.169 4.311 4.480 -0.000 0.000 0.261 356 M C 2.443 178.741 176.300 -0.003 0.000 1.066 356 M CA 1.830 57.117 55.300 -0.020 0.000 1.107 356 M CB -1.637 30.944 32.600 -0.032 0.000 1.356 356 M HN 0.443 nan 8.290 nan 0.000 0.406 357 A N -0.133 122.685 122.820 -0.003 0.000 2.186 357 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 357 A C 1.498 179.089 177.584 0.011 0.000 1.159 357 A CA 1.781 53.821 52.037 0.005 0.000 0.680 357 A CB -1.095 17.907 19.000 0.003 0.000 0.787 357 A HN 0.595 nan 8.150 nan 0.000 0.467 358 T N -2.720 111.842 114.554 0.013 0.000 3.255 358 T HA 0.538 4.888 4.350 -0.000 0.000 0.243 358 T C -0.536 174.178 174.700 0.023 0.000 1.057 358 T CA -0.220 61.891 62.100 0.018 0.000 1.121 358 T CB -0.122 68.758 68.868 0.020 0.000 1.104 358 T HN 0.508 nan 8.240 nan 0.000 0.571 359 V N 0.397 120.325 119.914 0.023 0.000 2.969 359 V HA 0.567 4.687 4.120 -0.000 0.000 0.304 359 V C -1.237 174.875 176.094 0.030 0.000 1.192 359 V CA -1.087 61.230 62.300 0.029 0.000 0.962 359 V CB 2.351 34.192 31.823 0.030 0.000 1.045 359 V HN 0.382 nan 8.190 nan 0.000 0.428 360 K N 5.644 126.066 120.400 0.035 0.000 2.021 360 K HA 0.191 4.511 4.320 -0.000 0.000 0.238 360 K C 1.165 177.790 176.600 0.041 0.000 1.149 360 K CA 0.210 56.521 56.287 0.040 0.000 1.105 360 K CB -0.024 32.504 32.500 0.047 0.000 1.246 360 K HN 0.596 nan 8.250 nan 0.000 0.307 361 M N 0.528 120.150 119.600 0.036 0.000 2.067 361 M HA -0.165 4.315 4.480 -0.000 0.000 0.260 361 M C 1.449 177.770 176.300 0.035 0.000 1.069 361 M CA 1.619 56.939 55.300 0.033 0.000 1.117 361 M CB -0.547 32.072 32.600 0.032 0.000 1.334 361 M HN 0.615 nan 8.290 nan 0.000 0.407 362 E N 0.142 120.368 120.200 0.043 0.000 2.510 362 E HA -0.172 4.178 4.350 -0.000 0.000 0.202 362 E C 0.940 177.572 176.600 0.053 0.000 1.072 362 E CA 0.556 56.984 56.400 0.046 0.000 0.883 362 E CB 0.162 29.894 29.700 0.054 0.000 0.818 362 E HN 0.474 nan 8.360 nan 0.000 0.548 363 E N -0.280 119.957 120.200 0.061 0.000 2.810 363 E HA 0.070 4.420 4.350 -0.000 0.000 0.214 363 E C 1.296 177.932 176.600 0.061 0.000 0.980 363 E CA -0.181 56.287 56.400 0.112 0.000 1.159 363 E CB 0.348 30.145 29.700 0.161 0.000 1.047 363 E HN 0.250 nan 8.360 nan 0.000 0.484 364 L N -0.097 121.134 121.223 0.014 0.000 2.131 364 L HA -0.016 4.324 4.340 -0.000 0.000 0.210 364 L C 2.069 178.923 176.870 -0.027 0.000 1.092 364 L CA 1.639 56.484 54.840 0.008 0.000 0.759 364 L CB -0.131 41.932 42.059 0.006 0.000 0.903 364 L HN 0.308 nan 8.230 nan 0.000 0.435 365 G N -1.720 107.013 108.800 -0.111 0.000 2.448 365 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.219 365 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.219 365 G C 1.163 175.962 174.900 -0.168 0.000 1.127 365 G CA 0.389 45.388 45.100 -0.169 0.000 0.766 365 G HN 0.485 nan 8.290 nan 0.000 0.552 366 H N -0.838 118.242 119.070 0.017 0.000 2.547 366 H HA 0.205 4.761 4.556 -0.000 0.000 0.266 366 H C 0.872 176.207 175.328 0.012 0.000 0.988 366 H CA -0.278 55.777 56.048 0.012 0.000 1.147 366 H CB 0.156 29.923 29.762 0.009 0.000 1.365 366 H HN 0.227 nan 8.280 nan 0.000 0.589 367 L N 1.099 122.378 121.223 0.093 0.000 2.488 367 L HA 0.164 4.504 4.340 -0.000 0.000 0.249 367 L C 1.185 178.084 176.870 0.048 0.000 1.151 367 L CA -0.335 54.545 54.840 0.067 0.000 0.806 367 L CB 0.857 42.948 42.059 0.053 0.000 1.261 367 L HN 0.151 nan 8.230 nan 0.000 0.484 368 T N -2.468 112.109 114.554 0.039 0.000 2.754 368 T HA 0.178 4.528 4.350 -0.000 0.000 0.286 368 T C 1.048 175.764 174.700 0.027 0.000 0.997 368 T CA 0.237 62.355 62.100 0.030 0.000 0.982 368 T CB 0.456 69.338 68.868 0.024 0.000 1.027 368 T HN 0.650 nan 8.240 nan 0.000 0.529 369 T N 0.224 114.792 114.554 0.023 0.000 2.639 369 T HA -0.084 4.266 4.350 -0.000 0.000 0.261 369 T C 1.780 176.493 174.700 0.021 0.000 1.053 369 T CA 1.384 63.496 62.100 0.019 0.000 1.158 369 T CB -0.555 68.324 68.868 0.019 0.000 0.863 369 T HN 0.831 nan 8.240 nan 0.000 0.413 370 E N 0.822 121.034 120.200 0.021 0.000 2.097 370 E HA -0.246 4.103 4.350 -0.000 0.000 0.196 370 E C 2.071 178.697 176.600 0.043 0.000 1.000 370 E CA 1.164 57.577 56.400 0.023 0.000 0.804 370 E CB 0.021 29.726 29.700 0.008 0.000 0.740 370 E HN 0.193 nan 8.360 nan 0.000 0.454 371 K N 0.343 120.768 120.400 0.041 0.000 2.148 371 K HA -0.141 4.179 4.320 -0.000 0.000 0.204 371 K C 2.154 178.812 176.600 0.097 0.000 1.050 371 K CA 0.876 57.209 56.287 0.077 0.000 0.942 371 K CB -0.281 32.252 32.500 0.054 0.000 0.724 371 K HN 0.286 nan 8.250 nan 0.000 0.446 372 Q N 0.958 120.788 119.800 0.049 0.000 2.050 372 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 372 Q C 1.795 177.793 176.000 -0.003 0.000 0.980 372 Q CA 1.463 57.279 55.803 0.021 0.000 0.840 372 Q CB 0.185 28.927 28.738 0.006 0.000 0.898 372 Q HN 0.344 nan 8.270 nan 0.000 0.424 373 E N -0.459 119.740 120.200 -0.002 0.000 2.007 373 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 373 E C 1.809 178.374 176.600 -0.059 0.000 0.999 373 E CA 1.340 57.707 56.400 -0.054 0.000 0.811 373 E CB -0.437 29.244 29.700 -0.033 0.000 0.762 373 E HN 0.378 nan 8.360 nan 0.000 0.450 374 Y N 1.569 121.810 120.300 -0.098 0.000 2.132 374 Y HA -0.366 4.184 4.550 -0.000 0.000 0.280 374 Y C 2.086 177.934 175.900 -0.086 0.000 1.193 374 Y CA 1.672 59.721 58.100 -0.086 0.000 1.157 374 Y CB -0.535 37.899 38.460 -0.043 0.000 0.966 374 Y HN 0.058 nan 8.280 nan 0.000 0.511 375 A N -0.068 122.709 122.820 -0.071 0.000 1.828 375 A HA -0.179 4.141 4.320 -0.000 0.000 0.215 375 A C 2.124 179.595 177.584 -0.188 0.000 1.203 375 A CA 1.963 53.919 52.037 -0.135 0.000 0.614 375 A CB -1.318 17.671 19.000 -0.019 0.000 0.844 375 A HN 0.423 nan 8.150 nan 0.000 0.445 376 L N -0.325 120.809 121.223 -0.148 0.000 2.042 376 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 376 L C 2.590 179.302 176.870 -0.262 0.000 1.076 376 L CA 1.929 56.671 54.840 -0.163 0.000 0.749 376 L CB -0.810 41.161 42.059 -0.146 0.000 0.893 376 L HN 0.405 nan 8.230 nan 0.000 0.432 377 R N -0.196 120.079 120.500 -0.374 0.000 2.122 377 R HA -0.234 4.106 4.340 -0.000 0.000 0.236 377 R C 2.264 178.356 176.300 -0.347 0.000 1.129 377 R CA 2.373 58.136 56.100 -0.562 0.000 0.925 377 R CB -0.627 29.380 30.300 -0.488 0.000 0.850 377 R HN 0.424 nan 8.270 nan 0.000 0.431 378 L N -1.412 119.609 121.223 -0.337 0.000 2.362 378 L HA 0.135 4.475 4.340 -0.000 0.000 0.219 378 L C 2.112 178.893 176.870 -0.149 0.000 1.134 378 L CA 1.789 56.477 54.840 -0.253 0.000 0.807 378 L CB -0.458 41.353 42.059 -0.414 0.000 0.927 378 L HN 0.053 nan 8.230 nan 0.000 0.447 379 A N -0.045 122.689 122.820 -0.144 0.000 2.019 379 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 379 A C 2.269 179.869 177.584 0.027 0.000 1.164 379 A CA 2.109 54.115 52.037 -0.052 0.000 0.644 379 A CB -1.111 17.859 19.000 -0.049 0.000 0.805 379 A HN 0.555 nan 8.150 nan 0.000 0.449 380 T N -0.535 114.025 114.554 0.009 0.000 2.851 380 T HA -0.056 4.294 4.350 -0.000 0.000 0.262 380 T C 1.874 176.630 174.700 0.092 0.000 1.043 380 T CA 1.388 63.528 62.100 0.067 0.000 1.140 380 T CB -0.307 68.644 68.868 0.139 0.000 0.872 380 T HN 0.177 nan 8.240 nan 0.000 0.446 381 V N 1.349 121.309 119.914 0.076 0.000 2.407 381 V HA -0.044 4.076 4.120 -0.000 0.000 0.248 381 V C 2.682 178.805 176.094 0.048 0.000 1.055 381 V CA 1.965 64.304 62.300 0.066 0.000 1.049 381 V CB -1.045 30.799 31.823 0.036 0.000 0.662 381 V HN 0.593 nan 8.190 nan 0.000 0.455 382 G N -2.340 106.481 108.800 0.035 0.000 2.986 382 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.213 382 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.213 382 G C 1.265 176.202 174.900 0.062 0.000 1.156 382 G CA 0.188 45.302 45.100 0.024 0.000 0.763 382 G HN 0.488 nan 8.290 nan 0.000 0.547 383 Y N 2.650 122.937 120.300 -0.021 0.000 2.096 383 Y HA -0.190 4.360 4.550 -0.000 0.000 0.278 383 Y C 0.107 176.000 175.900 -0.011 0.000 1.192 383 Y CA 2.289 60.379 58.100 -0.018 0.000 1.143 383 Y CB -0.878 37.572 38.460 -0.017 0.000 0.963 383 Y HN 0.244 nan 8.280 nan 0.000 0.505 384 P HA -0.199 nan 4.420 nan 0.000 0.205 384 P C 1.438 178.738 177.300 0.000 0.000 1.193 384 P CA 1.923 65.091 63.100 0.113 0.000 0.929 384 P CB -0.088 31.690 31.700 0.129 0.000 0.772 385 K N -0.585 119.825 120.400 0.018 0.000 2.228 385 K HA -0.075 4.244 4.320 -0.000 0.000 0.205 385 K C 0.814 177.398 176.600 -0.027 0.000 1.045 385 K CA 1.300 57.590 56.287 0.005 0.000 0.931 385 K CB -0.527 31.993 32.500 0.033 0.000 0.727 385 K HN 0.232 nan 8.250 nan 0.000 0.458 386 A N -2.466 120.317 122.820 -0.061 0.000 2.601 386 A HA 0.555 4.875 4.320 -0.000 0.000 0.291 386 A C -0.218 177.280 177.584 -0.143 0.000 1.075 386 A CA 0.024 52.014 52.037 -0.078 0.000 0.671 386 A CB 1.380 20.356 19.000 -0.040 0.000 1.277 386 A HN 0.176 nan 8.150 nan 0.000 0.417 387 G N -0.751 107.975 108.800 -0.125 0.000 2.327 387 G HA2 0.067 4.027 3.960 -0.000 0.000 0.159 387 G HA3 0.067 4.027 3.960 -0.000 0.000 0.159 387 G C 0.337 175.109 174.900 -0.213 0.000 1.056 387 G CA 0.228 45.233 45.100 -0.157 0.000 0.751 387 G HN 1.535 nan 8.290 nan 0.000 0.488 388 V N -1.192 118.643 119.914 -0.132 0.000 3.129 388 V HA 0.129 4.249 4.120 -0.000 0.000 0.259 388 V C 1.375 177.366 176.094 -0.173 0.000 1.116 388 V CA 1.617 63.825 62.300 -0.153 0.000 1.127 388 V CB -0.325 31.456 31.823 -0.069 0.000 0.742 388 V HN 0.525 nan 8.190 nan 0.000 0.474 389 Y N -0.663 119.590 120.300 -0.079 0.000 2.779 389 Y HA 0.423 4.973 4.550 -0.000 0.000 0.251 389 Y C 0.929 176.803 175.900 -0.043 0.000 1.145 389 Y CA -0.478 57.592 58.100 -0.050 0.000 1.201 389 Y CB 0.918 39.357 38.460 -0.036 0.000 1.281 389 Y HN 0.105 nan 8.280 nan 0.000 0.563 390 S N -0.330 115.400 115.700 0.051 0.000 2.554 390 S HA 0.468 4.938 4.470 -0.000 0.000 0.278 390 S C 1.101 175.712 174.600 0.019 0.000 1.242 390 S CA -0.115 58.104 58.200 0.031 0.000 1.051 390 S CB 0.874 64.068 63.200 -0.010 0.000 0.986 390 S HN 0.533 nan 8.310 nan 0.000 0.502 391 G N 4.574 113.395 108.800 0.036 0.000 3.325 391 G HA2 0.168 4.128 3.960 -0.000 0.000 0.242 391 G HA3 0.168 4.128 3.960 -0.000 0.000 0.242 391 G C 0.845 175.765 174.900 0.033 0.000 1.120 391 G CA -0.168 44.954 45.100 0.036 0.000 1.778 391 G HN 0.757 nan 8.290 nan 0.000 0.610 392 L N -0.189 121.052 121.223 0.029 0.000 1.988 392 L HA -0.084 4.256 4.340 -0.000 0.000 0.207 392 L C 2.619 179.525 176.870 0.060 0.000 1.071 392 L CA 0.910 55.779 54.840 0.049 0.000 0.744 392 L CB -0.221 41.887 42.059 0.083 0.000 0.893 392 L HN 0.309 nan 8.230 nan 0.000 0.433 393 I N 0.111 120.722 120.570 0.067 0.000 2.423 393 I HA -0.205 3.965 4.170 -0.000 0.000 0.254 393 I C 2.527 178.683 176.117 0.066 0.000 1.151 393 I CA 1.477 62.808 61.300 0.052 0.000 1.421 393 I CB -1.237 36.785 38.000 0.035 0.000 1.079 393 I HN 0.203 nan 8.210 nan 0.000 0.431 394 G N 0.512 109.348 108.800 0.059 0.000 2.421 394 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.216 394 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.216 394 G C 1.853 176.792 174.900 0.066 0.000 1.171 394 G CA 0.798 45.937 45.100 0.065 0.000 0.775 394 G HN 0.501 nan 8.290 nan 0.000 0.543 395 G N 1.113 109.944 108.800 0.051 0.000 2.440 395 G HA2 0.025 3.985 3.960 -0.000 0.000 0.218 395 G HA3 0.025 3.985 3.960 -0.000 0.000 0.218 395 G C 2.051 176.984 174.900 0.056 0.000 1.154 395 G CA 1.531 46.655 45.100 0.040 0.000 0.767 395 G HN 0.677 nan 8.290 nan 0.000 0.552 396 A N 0.107 122.975 122.820 0.080 0.000 2.024 396 A HA 0.003 4.323 4.320 -0.000 0.000 0.220 396 A C 2.502 180.241 177.584 0.258 0.000 1.164 396 A CA 2.415 54.536 52.037 0.141 0.000 0.643 396 A CB -0.654 18.406 19.000 0.100 0.000 0.806 396 A HN 0.325 nan 8.150 nan 0.000 0.451 397 T N -0.642 114.042 114.554 0.215 0.000 2.770 397 T HA -0.058 4.292 4.350 -0.000 0.000 0.258 397 T C 2.284 177.023 174.700 0.064 0.000 1.039 397 T CA 1.391 63.607 62.100 0.192 0.000 1.143 397 T CB -0.316 68.656 68.868 0.173 0.000 0.866 397 T HN 0.453 nan 8.240 nan 0.000 0.428 398 S N 0.971 116.696 115.700 0.041 0.000 2.365 398 S HA -0.128 4.342 4.470 -0.000 0.000 0.225 398 S C 2.240 176.810 174.600 -0.049 0.000 1.039 398 S CA 1.188 59.376 58.200 -0.019 0.000 1.033 398 S CB -0.729 62.452 63.200 -0.032 0.000 0.887 398 S HN 0.314 nan 8.310 nan 0.000 0.447 399 V N 1.785 121.688 119.914 -0.019 0.000 2.343 399 V HA -0.120 4.000 4.120 -0.000 0.000 0.247 399 V C 2.061 178.140 176.094 -0.024 0.000 1.051 399 V CA 1.831 64.117 62.300 -0.024 0.000 1.036 399 V CB -0.396 31.425 31.823 -0.004 0.000 0.654 399 V HN 0.470 nan 8.190 nan 0.000 0.451 400 L N -0.218 120.987 121.223 -0.030 0.000 2.027 400 L HA -0.044 4.296 4.340 -0.000 0.000 0.206 400 L C 2.212 179.058 176.870 -0.040 0.000 1.074 400 L CA 2.390 57.174 54.840 -0.093 0.000 0.745 400 L CB -0.987 40.872 42.059 -0.333 0.000 0.898 400 L HN 0.381 nan 8.230 nan 0.000 0.433 401 L N -0.546 120.664 121.223 -0.022 0.000 2.013 401 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 401 L C 2.537 179.430 176.870 0.039 0.000 1.073 401 L CA 2.268 57.132 54.840 0.041 0.000 0.753 401 L CB -1.035 41.036 42.059 0.022 0.000 0.890 401 L HN 0.380 nan 8.230 nan 0.000 0.432 402 S N -0.356 115.333 115.700 -0.019 0.000 2.359 402 S HA -0.229 4.241 4.470 -0.000 0.000 0.224 402 S C 2.097 176.715 174.600 0.031 0.000 1.035 402 S CA 1.273 59.459 58.200 -0.024 0.000 1.018 402 S CB -0.781 62.381 63.200 -0.063 0.000 0.876 402 S HN 0.702 nan 8.310 nan 0.000 0.448 403 A N 0.977 123.827 122.820 0.051 0.000 1.892 403 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 403 A C 2.014 179.707 177.584 0.181 0.000 1.188 403 A CA 2.032 54.127 52.037 0.097 0.000 0.631 403 A CB -1.120 17.914 19.000 0.057 0.000 0.822 403 A HN 0.571 nan 8.150 nan 0.000 0.447 404 Y N 1.421 121.726 120.300 0.008 0.000 2.114 404 Y HA -0.216 4.334 4.550 -0.000 0.000 0.284 404 Y C 2.126 178.041 175.900 0.025 0.000 1.143 404 Y CA 1.720 59.832 58.100 0.020 0.000 1.135 404 Y CB -1.079 37.381 38.460 -0.001 0.000 0.980 404 Y HN 0.497 nan 8.280 nan 0.000 0.499 405 N N -0.261 118.368 118.700 -0.119 0.000 2.137 405 N HA -0.219 4.521 4.740 -0.000 0.000 0.190 405 N C 1.961 177.374 175.510 -0.162 0.000 1.017 405 N CA 0.829 53.735 53.050 -0.241 0.000 0.859 405 N CB -0.260 38.143 38.487 -0.139 0.000 1.002 405 N HN 0.271 nan 8.380 nan 0.000 0.428 406 R N 0.334 120.792 120.500 -0.069 0.000 2.276 406 R HA 0.035 4.375 4.340 -0.000 0.000 0.203 406 R C -0.182 175.933 176.300 -0.307 0.000 1.017 406 R CA 0.688 56.704 56.100 -0.140 0.000 1.010 406 R CB 0.167 30.420 30.300 -0.079 0.000 0.900 406 R HN 0.342 nan 8.270 nan 0.000 0.469 407 H N -1.629 117.431 119.070 -0.017 0.000 2.941 407 H HA 0.292 4.848 4.556 -0.000 0.000 0.344 407 H C -2.356 172.998 175.328 0.043 0.000 1.235 407 H CA -1.737 54.326 56.048 0.025 0.000 1.149 407 H CB 2.255 32.046 29.762 0.048 0.000 1.885 407 H HN -0.110 nan 8.280 nan 0.000 0.558 408 P HA 0.209 nan 4.420 nan 0.000 0.208 408 P C -0.893 176.565 177.300 0.263 0.000 1.863 408 P CA -0.266 62.944 63.100 0.183 0.000 1.037 408 P CB -0.378 31.410 31.700 0.147 0.000 1.881 409 L N 0.293 121.720 121.223 0.340 0.000 3.601 409 L HA -0.228 4.112 4.340 -0.000 0.000 0.469 409 L C -0.281 176.762 176.870 0.289 0.000 1.294 409 L CA 0.748 55.758 54.840 0.285 0.000 0.829 409 L CB -2.647 39.550 42.059 0.230 0.000 1.628 409 L HN 0.327 nan 8.230 nan 0.000 0.868 410 F N -0.288 119.695 119.950 0.056 0.000 2.637 410 F HA 0.355 4.882 4.527 -0.000 0.000 0.316 410 F C -1.112 174.631 175.800 -0.096 0.000 1.023 410 F CA -0.661 57.324 58.000 -0.025 0.000 1.071 410 F CB 0.843 39.832 39.000 -0.018 0.000 1.319 410 F HN 0.019 nan 8.300 nan 0.000 0.541 411 Q N 6.209 125.508 119.800 -0.835 0.000 2.245 411 Q HA 0.457 4.797 4.340 -0.000 0.000 0.256 411 Q C -2.547 172.747 176.000 -1.178 0.000 0.942 411 Q CA -2.084 53.221 55.803 -0.830 0.000 0.896 411 Q CB 1.574 30.072 28.738 -0.400 0.000 1.272 411 Q HN 0.365 nan 8.270 nan 0.000 0.442 412 P HA -0.059 nan 4.420 nan 0.000 0.261 412 P C 0.844 177.897 177.300 -0.411 0.000 1.173 412 P CA 0.325 63.111 63.100 -0.523 0.000 0.760 412 P CB 0.491 32.033 31.700 -0.263 0.000 0.783 413 L N 2.698 123.747 121.223 -0.290 0.000 2.137 413 L HA -0.207 4.133 4.340 -0.000 0.000 0.213 413 L C 0.904 177.464 176.870 -0.517 0.000 1.085 413 L CA 1.567 56.219 54.840 -0.315 0.000 0.760 413 L CB -0.288 41.656 42.059 -0.192 0.000 0.893 413 L HN 0.571 nan 8.230 nan 0.000 0.434 414 H N -1.606 117.438 119.070 -0.043 0.000 2.616 414 H HA 0.194 4.750 4.556 -0.000 0.000 0.229 414 H C -0.304 175.007 175.328 -0.029 0.000 1.418 414 H CA -0.142 55.893 56.048 -0.022 0.000 1.248 414 H CB 0.631 30.392 29.762 -0.002 0.000 1.822 414 H HN -0.033 nan 8.280 nan 0.000 0.522 415 T N -0.516 114.045 114.554 0.013 0.000 2.918 415 T HA 0.148 4.498 4.350 -0.000 0.000 0.283 415 T C 1.525 176.235 174.700 0.016 0.000 1.001 415 T CA -0.246 61.854 62.100 -0.001 0.000 1.041 415 T CB 1.749 70.577 68.868 -0.067 0.000 1.028 415 T HN 0.173 nan 8.240 nan 0.000 0.511 416 V N 4.952 124.878 119.914 0.021 0.000 2.490 416 V HA -0.063 4.057 4.120 -0.000 0.000 0.250 416 V C 2.198 178.298 176.094 0.010 0.000 1.061 416 V CA 2.496 64.810 62.300 0.023 0.000 1.064 416 V CB -0.691 31.146 31.823 0.024 0.000 0.670 416 V HN 0.994 nan 8.190 nan 0.000 0.461 417 M N -0.520 119.079 119.600 -0.002 0.000 2.319 417 M HA -0.089 4.391 4.480 -0.000 0.000 0.265 417 M C 2.199 178.483 176.300 -0.028 0.000 1.068 417 M CA 1.840 57.132 55.300 -0.012 0.000 1.118 417 M CB -0.187 32.409 32.600 -0.006 0.000 1.395 417 M HN 0.337 nan 8.290 nan 0.000 0.435 418 R N 0.595 121.078 120.500 -0.029 0.000 2.083 418 R HA -0.251 4.089 4.340 -0.000 0.000 0.237 418 R C 1.922 178.196 176.300 -0.044 0.000 1.137 418 R CA 2.278 58.372 56.100 -0.011 0.000 0.951 418 R CB -0.380 29.916 30.300 -0.007 0.000 0.851 418 R HN 0.421 nan 8.270 nan 0.000 0.434 419 E N -0.574 119.624 120.200 -0.004 0.000 2.160 419 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 419 E C 1.487 178.088 176.600 0.002 0.000 0.991 419 E CA 2.229 58.653 56.400 0.041 0.000 0.810 419 E CB -0.267 29.474 29.700 0.069 0.000 0.742 419 E HN 0.430 nan 8.360 nan 0.000 0.466 420 T N 0.567 115.090 114.554 -0.052 0.000 2.643 420 T HA -0.135 4.215 4.350 -0.000 0.000 0.264 420 T C 1.688 176.296 174.700 -0.153 0.000 1.045 420 T CA 1.470 63.517 62.100 -0.088 0.000 1.155 420 T CB -0.396 68.439 68.868 -0.056 0.000 0.863 420 T HN 0.087 nan 8.240 nan 0.000 0.420 421 L N 0.584 121.700 121.223 -0.178 0.000 2.129 421 L HA -0.044 4.296 4.340 -0.000 0.000 0.212 421 L C 2.081 178.619 176.870 -0.554 0.000 1.087 421 L CA 1.369 56.082 54.840 -0.212 0.000 0.757 421 L CB -0.972 41.055 42.059 -0.053 0.000 0.896 421 L HN 0.226 nan 8.230 nan 0.000 0.434 422 F N 0.184 119.469 119.950 -1.109 0.000 2.146 422 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 422 F C 2.262 177.844 175.800 -0.364 0.000 1.096 422 F CA 1.330 58.625 58.000 -1.174 0.000 1.275 422 F CB -0.319 38.220 39.000 -0.767 0.000 1.008 422 F HN -0.022 nan 8.300 nan 0.000 0.480 423 I N 0.297 120.626 120.570 -0.400 0.000 2.226 423 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 423 I C 2.729 178.714 176.117 -0.219 0.000 1.100 423 I CA 1.422 62.532 61.300 -0.317 0.000 1.374 423 I CB -1.381 36.336 38.000 -0.472 0.000 1.057 423 I HN 0.315 nan 8.210 nan 0.000 0.413 424 G N 0.615 109.300 108.800 -0.192 0.000 2.408 424 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 424 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 424 G C 1.815 176.651 174.900 -0.107 0.000 1.150 424 G CA 0.948 45.995 45.100 -0.088 0.000 0.776 424 G HN 0.497 nan 8.290 nan 0.000 0.542 425 S N 0.488 116.109 115.700 -0.132 0.000 2.387 425 S HA -0.271 4.199 4.470 -0.000 0.000 0.230 425 S C 2.092 176.545 174.600 -0.246 0.000 1.035 425 S CA 1.753 59.862 58.200 -0.151 0.000 1.014 425 S CB -0.838 62.395 63.200 0.056 0.000 0.836 425 S HN 0.520 nan 8.310 nan 0.000 0.466 426 H N 0.462 119.433 119.070 -0.165 0.000 2.290 426 H HA -0.023 4.533 4.556 -0.000 0.000 0.298 426 H C 2.494 177.687 175.328 -0.225 0.000 1.087 426 H CA 1.683 57.626 56.048 -0.176 0.000 1.291 426 H CB -0.995 28.675 29.762 -0.153 0.000 1.369 426 H HN 0.405 nan 8.280 nan 0.000 0.492 427 V N 1.181 121.040 119.914 -0.092 0.000 2.913 427 V HA -0.130 3.990 4.120 -0.000 0.000 0.260 427 V C 2.211 178.158 176.094 -0.244 0.000 1.098 427 V CA 0.833 63.007 62.300 -0.209 0.000 1.121 427 V CB -0.420 31.357 31.823 -0.076 0.000 0.714 427 V HN 0.132 nan 8.190 nan 0.000 0.487 428 V N -0.751 119.010 119.914 -0.256 0.000 2.426 428 V HA -0.069 4.051 4.120 -0.000 0.000 0.242 428 V C 2.229 178.176 176.094 -0.245 0.000 1.036 428 V CA 1.528 63.636 62.300 -0.320 0.000 1.044 428 V CB -0.313 31.108 31.823 -0.670 0.000 0.688 428 V HN 0.515 nan 8.190 nan 0.000 0.462 429 L N 0.367 121.461 121.223 -0.214 0.000 1.989 429 L HA -0.166 4.174 4.340 -0.000 0.000 0.211 429 L C 2.615 179.400 176.870 -0.141 0.000 1.071 429 L CA 2.065 56.819 54.840 -0.143 0.000 0.749 429 L CB -0.656 41.344 42.059 -0.100 0.000 0.890 429 L HN 0.148 nan 8.230 nan 0.000 0.431 430 R N -0.828 119.548 120.500 -0.206 0.000 2.119 430 R HA -0.273 4.067 4.340 -0.000 0.000 0.246 430 R C 2.268 178.465 176.300 -0.171 0.000 1.146 430 R CA 1.933 57.877 56.100 -0.259 0.000 0.962 430 R CB -0.254 29.711 30.300 -0.557 0.000 0.863 430 R HN 0.442 nan 8.270 nan 0.000 0.442 431 E N 0.530 120.633 120.200 -0.162 0.000 2.031 431 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 431 E C 1.944 178.558 176.600 0.024 0.000 0.994 431 E CA 1.405 57.804 56.400 -0.001 0.000 0.800 431 E CB -0.328 29.370 29.700 -0.005 0.000 0.752 431 E HN 0.282 nan 8.360 nan 0.000 0.447 432 L N 0.345 121.575 121.223 0.012 0.000 2.013 432 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 432 L C 2.598 179.550 176.870 0.137 0.000 1.073 432 L CA 1.595 56.510 54.840 0.125 0.000 0.753 432 L CB -0.474 41.602 42.059 0.029 0.000 0.890 432 L HN 0.088 nan 8.230 nan 0.000 0.432 433 R N -0.240 120.269 120.500 0.014 0.000 2.211 433 R HA -0.080 4.260 4.340 -0.000 0.000 0.240 433 R C 0.765 177.094 176.300 0.049 0.000 1.144 433 R CA 0.664 56.748 56.100 -0.027 0.000 0.992 433 R CB -0.933 29.334 30.300 -0.054 0.000 0.869 433 R HN 0.180 nan 8.270 nan 0.000 0.462 434 L N 1.696 123.000 121.223 0.134 0.000 2.456 434 L HA -0.028 4.312 4.340 -0.000 0.000 0.246 434 L C 1.529 178.566 176.870 0.279 0.000 1.238 434 L CA 0.691 55.626 54.840 0.158 0.000 0.826 434 L CB 0.176 42.306 42.059 0.119 0.000 1.150 434 L HN 0.234 nan 8.230 nan 0.000 0.514 435 N N -1.248 117.579 118.700 0.212 0.000 2.177 435 N HA 0.037 4.777 4.740 -0.000 0.000 0.218 435 N C -0.754 174.884 175.510 0.213 0.000 1.182 435 N CA -0.005 53.203 53.050 0.264 0.000 0.882 435 N CB 0.427 39.007 38.487 0.154 0.000 1.052 435 N HN 0.215 nan 8.380 nan 0.000 0.519 436 V N 2.460 122.433 119.914 0.099 0.000 2.320 436 V HA 0.171 4.291 4.120 -0.000 0.000 0.265 436 V C 0.584 176.607 176.094 -0.119 0.000 1.048 436 V CA -0.623 61.675 62.300 -0.004 0.000 0.865 436 V CB 0.156 31.952 31.823 -0.045 0.000 1.043 436 V HN 0.255 nan 8.190 nan 0.000 0.474 437 T N 1.465 115.965 114.554 -0.089 0.000 3.826 437 T HA 0.108 4.457 4.350 -0.000 0.000 0.239 437 T C 0.411 175.026 174.700 -0.142 0.000 1.007 437 T CA -0.214 61.783 62.100 -0.171 0.000 1.171 437 T CB -1.040 67.820 68.868 -0.014 0.000 1.153 437 T HN 0.617 nan 8.240 nan 0.000 0.854 438 T N 3.685 118.124 114.554 -0.191 0.000 2.779 438 T HA 0.365 4.715 4.350 -0.000 0.000 0.280 438 T C 0.385 175.014 174.700 -0.118 0.000 0.987 438 T CA -0.888 61.120 62.100 -0.153 0.000 0.966 438 T CB 1.277 70.016 68.868 -0.214 0.000 0.933 438 T HN 0.632 nan 8.240 nan 0.000 0.442 439 Q N 0.596 120.359 119.800 -0.062 0.000 2.494 439 Q HA -0.222 4.118 4.340 -0.000 0.000 0.266 439 Q C 1.583 177.571 176.000 -0.020 0.000 1.053 439 Q CA 0.594 56.383 55.803 -0.022 0.000 1.029 439 Q CB -1.977 26.751 28.738 -0.016 0.000 1.423 439 Q HN 1.023 nan 8.270 nan 0.000 0.516 440 G N 1.253 110.031 108.800 -0.037 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 -0.948 173.973 174.900 0.035 0.000 1.164 440 G CA 1.415 46.506 45.100 -0.016 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 0.216 441 P C 1.541 178.883 177.300 0.069 0.000 1.153 441 P CA 1.376 64.512 63.100 0.060 0.000 0.848 441 P CB -0.070 31.664 31.700 0.058 0.000 0.787 442 N N -0.870 117.868 118.700 0.064 0.000 2.309 442 N HA -0.121 4.619 4.740 -0.000 0.000 0.182 442 N C 1.544 177.114 175.510 0.100 0.000 1.018 442 N CA 0.670 53.768 53.050 0.080 0.000 0.876 442 N CB -0.700 37.828 38.487 0.067 0.000 0.972 442 N HN 0.033 nan 8.380 nan 0.000 0.434 443 L N -0.535 120.734 121.223 0.078 0.000 2.127 443 L HA 0.216 4.556 4.340 -0.000 0.000 0.203 443 L C 2.103 179.047 176.870 0.123 0.000 1.080 443 L CA 1.107 56.000 54.840 0.088 0.000 0.768 443 L CB -0.547 41.527 42.059 0.026 0.000 0.924 443 L HN 0.124 nan 8.230 nan 0.000 0.444 444 A N 0.197 123.077 122.820 0.100 0.000 1.948 444 A HA -0.272 4.048 4.320 -0.000 0.000 0.220 444 A C 2.193 179.832 177.584 0.093 0.000 1.177 444 A CA 2.103 54.201 52.037 0.100 0.000 0.636 444 A CB -1.015 18.037 19.000 0.087 0.000 0.815 444 A HN 0.541 nan 8.150 nan 0.000 0.449 445 L N -1.547 119.733 121.223 0.095 0.000 1.989 445 L HA -0.186 4.153 4.340 -0.000 0.000 0.211 445 L C 2.266 179.193 176.870 0.096 0.000 1.071 445 L CA 2.572 57.458 54.840 0.077 0.000 0.749 445 L CB -1.096 41.027 42.059 0.107 0.000 0.890 445 L HN 0.502 nan 8.230 nan 0.000 0.431 446 Y N 0.173 120.491 120.300 0.029 0.000 2.139 446 Y HA -0.373 4.177 4.550 -0.000 0.000 0.282 446 Y C 2.624 178.525 175.900 0.002 0.000 1.179 446 Y CA 2.363 60.477 58.100 0.024 0.000 1.161 446 Y CB -0.089 38.388 38.460 0.029 0.000 0.970 446 Y HN 0.435 nan 8.280 nan 0.000 0.511 447 Q N -0.645 119.309 119.800 0.256 0.000 2.050 447 Q HA -0.221 4.119 4.340 -0.000 0.000 0.202 447 Q C 2.223 178.239 176.000 0.028 0.000 0.980 447 Q CA 1.613 57.505 55.803 0.148 0.000 0.840 447 Q CB -0.474 28.334 28.738 0.116 0.000 0.898 447 Q HN 0.499 nan 8.270 nan 0.000 0.424 448 L N 1.149 122.367 121.223 -0.008 0.000 1.990 448 L HA -0.218 4.122 4.340 -0.000 0.000 0.213 448 L C 2.072 178.869 176.870 -0.122 0.000 1.072 448 L CA 1.714 56.502 54.840 -0.087 0.000 0.755 448 L CB -0.669 41.279 42.059 -0.185 0.000 0.889 448 L HN 0.186 nan 8.230 nan 0.000 0.432 449 L N -0.685 120.457 121.223 -0.135 0.000 1.970 449 L HA -0.267 4.073 4.340 -0.000 0.000 0.212 449 L C 2.667 179.327 176.870 -0.350 0.000 1.071 449 L CA 1.903 56.572 54.840 -0.285 0.000 0.751 449 L CB -1.224 40.683 42.059 -0.254 0.000 0.889 449 L HN 0.507 nan 8.230 nan 0.000 0.432 450 S N -1.281 114.277 115.700 -0.237 0.000 2.387 450 S HA -0.222 4.248 4.470 -0.000 0.000 0.230 450 S C 1.897 176.406 174.600 -0.151 0.000 1.035 450 S CA 1.900 60.000 58.200 -0.168 0.000 1.014 450 S CB -1.061 62.124 63.200 -0.025 0.000 0.836 450 S HN 0.408 nan 8.310 nan 0.000 0.466 451 T N 2.858 117.335 114.554 -0.128 0.000 2.652 451 T HA -0.006 4.343 4.350 -0.000 0.000 0.267 451 T C 2.264 176.899 174.700 -0.110 0.000 1.039 451 T CA 1.531 63.562 62.100 -0.116 0.000 1.153 451 T CB -0.889 67.922 68.868 -0.096 0.000 0.863 451 T HN 0.636 nan 8.240 nan 0.000 0.428 452 A N 1.065 123.804 122.820 -0.134 0.000 1.908 452 A HA -0.001 4.319 4.320 -0.000 0.000 0.218 452 A C 2.274 179.793 177.584 -0.108 0.000 1.181 452 A CA 1.263 53.240 52.037 -0.100 0.000 0.627 452 A CB -0.913 18.008 19.000 -0.131 0.000 0.818 452 A HN 0.481 nan 8.150 nan 0.000 0.445 453 L N -1.074 120.028 121.223 -0.203 0.000 2.265 453 L HA -0.148 4.192 4.340 -0.000 0.000 0.215 453 L C 1.809 178.645 176.870 -0.057 0.000 1.117 453 L CA 0.519 55.285 54.840 -0.123 0.000 0.782 453 L CB -0.328 41.628 42.059 -0.172 0.000 0.914 453 L HN 0.544 nan 8.230 nan 0.000 0.441 454 c N 1.128 119.681 118.600 -0.079 0.000 2.694 454 c HA 0.185 4.755 4.570 -0.000 0.000 0.455 454 c C 1.634 175.701 174.090 -0.038 0.000 1.293 454 c CA -0.908 55.383 56.329 -0.064 0.000 1.614 454 c CB -2.318 40.144 42.510 -0.080 0.000 2.015 454 c HN 0.454 nan 8.230 nan 0.000 0.608 455 S N 0.960 116.653 115.700 -0.012 0.000 2.624 455 S HA 0.491 4.961 4.470 -0.000 0.000 0.263 455 S C 1.410 175.978 174.600 -0.053 0.000 1.287 455 S CA 0.159 58.354 58.200 -0.008 0.000 0.990 455 S CB 1.154 64.377 63.200 0.037 0.000 0.950 455 S HN 0.808 nan 8.310 nan 0.000 0.561 456 A N 0.557 123.334 122.820 -0.071 0.000 2.024 456 A HA -0.033 4.287 4.320 -0.000 0.000 0.220 456 A C 2.018 179.505 177.584 -0.162 0.000 1.164 456 A CA 1.455 53.426 52.037 -0.110 0.000 0.643 456 A CB -0.954 17.979 19.000 -0.112 0.000 0.806 456 A HN 0.836 nan 8.150 nan 0.000 0.451 457 L N -0.322 120.792 121.223 -0.183 0.000 2.072 457 L HA -0.084 4.256 4.340 -0.000 0.000 0.205 457 L C 2.335 178.950 176.870 -0.425 0.000 1.079 457 L CA 2.520 57.151 54.840 -0.347 0.000 0.752 457 L CB -0.528 41.304 42.059 -0.378 0.000 0.906 457 L HN 0.554 nan 8.230 nan 0.000 0.436 458 E N 0.204 120.304 120.200 -0.167 0.000 2.001 458 E HA -0.276 4.074 4.350 -0.000 0.000 0.195 458 E C 2.247 178.776 176.600 -0.118 0.000 1.002 458 E CA 2.190 58.615 56.400 0.042 0.000 0.819 458 E CB -0.774 28.985 29.700 0.098 0.000 0.769 458 E HN 0.461 nan 8.360 nan 0.000 0.454 459 I N 0.036 120.507 120.570 -0.165 0.000 2.300 459 I HA -0.237 3.933 4.170 -0.000 0.000 0.252 459 I C 1.965 177.894 176.117 -0.314 0.000 1.119 459 I CA 1.899 63.027 61.300 -0.287 0.000 1.384 459 I CB -0.482 37.405 38.000 -0.188 0.000 1.062 459 I HN 0.338 nan 8.210 nan 0.000 0.426 460 G N -0.063 108.593 108.800 -0.240 0.000 2.404 460 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.214 460 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.214 460 G C 1.464 176.235 174.900 -0.215 0.000 1.189 460 G CA 0.351 45.317 45.100 -0.223 0.000 0.789 460 G HN 0.319 nan 8.290 nan 0.000 0.533 461 E N 0.449 120.516 120.200 -0.222 0.000 2.110 461 E HA -0.084 4.266 4.350 -0.000 0.000 0.193 461 E C 2.861 179.393 176.600 -0.113 0.000 0.988 461 E CA 0.557 56.871 56.400 -0.143 0.000 0.804 461 E CB -0.557 29.091 29.700 -0.087 0.000 0.745 461 E HN 0.264 nan 8.360 nan 0.000 0.458 462 V N 1.139 120.953 119.914 -0.168 0.000 2.287 462 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 462 V C 2.422 178.383 176.094 -0.222 0.000 1.053 462 V CA 1.370 63.540 62.300 -0.218 0.000 1.027 462 V CB -0.450 31.134 31.823 -0.399 0.000 0.646 462 V HN 0.160 nan 8.190 nan 0.000 0.447 463 L N -0.265 120.789 121.223 -0.281 0.000 1.994 463 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 463 L C 2.556 179.362 176.870 -0.108 0.000 1.071 463 L CA 2.120 56.840 54.840 -0.200 0.000 0.745 463 L CB -1.070 40.867 42.059 -0.202 0.000 0.892 463 L HN 0.314 nan 8.230 nan 0.000 0.431 464 R N -0.050 120.389 120.500 -0.102 0.000 2.112 464 R HA -0.187 4.153 4.340 -0.000 0.000 0.242 464 R C 2.210 178.492 176.300 -0.031 0.000 1.137 464 R CA 2.032 58.095 56.100 -0.061 0.000 0.944 464 R CB -1.314 28.949 30.300 -0.062 0.000 0.857 464 R HN 0.369 nan 8.270 nan 0.000 0.435 465 G N 0.317 109.101 108.800 -0.026 0.000 2.440 465 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.218 465 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.218 465 G C 1.531 176.442 174.900 0.019 0.000 1.154 465 G CA 1.013 46.121 45.100 0.013 0.000 0.767 465 G HN 0.319 nan 8.290 nan 0.000 0.552 466 L N 0.608 121.831 121.223 -0.001 0.000 2.012 466 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 466 L C 3.444 180.324 176.870 0.016 0.000 1.073 466 L CA 1.223 56.073 54.840 0.018 0.000 0.748 466 L CB -0.430 41.639 42.059 0.017 0.000 0.891 466 L HN 0.325 nan 8.230 nan 0.000 0.431 467 A N -0.119 122.702 122.820 0.001 0.000 1.877 467 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 467 A C 2.123 179.713 177.584 0.009 0.000 1.186 467 A CA 1.401 53.439 52.037 0.003 0.000 0.620 467 A CB -0.729 18.265 19.000 -0.010 0.000 0.822 467 A HN 0.390 nan 8.150 nan 0.000 0.443 468 L N -0.831 120.399 121.223 0.011 0.000 2.610 468 L HA 0.109 4.449 4.340 -0.000 0.000 0.232 468 L C 1.667 178.553 176.870 0.028 0.000 1.149 468 L CA 0.491 55.342 54.840 0.018 0.000 0.872 468 L CB -0.419 41.651 42.059 0.019 0.000 0.992 468 L HN 0.631 nan 8.230 nan 0.000 0.447 469 G N 0.201 109.021 108.800 0.033 0.000 2.179 469 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.257 469 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.257 469 G C 0.944 175.877 174.900 0.054 0.000 1.010 469 G CA 0.761 45.885 45.100 0.040 0.000 0.736 469 G HN 0.428 nan 8.290 nan 0.000 0.513 470 T N -3.041 111.559 114.554 0.075 0.000 2.976 470 T HA 0.315 4.665 4.350 -0.000 0.000 0.257 470 T C 0.846 175.666 174.700 0.200 0.000 1.051 470 T CA 1.366 63.536 62.100 0.116 0.000 1.141 470 T CB 0.409 69.369 68.868 0.153 0.000 0.881 470 T HN 0.434 nan 8.240 nan 0.000 0.461 471 E N 1.648 121.946 120.200 0.164 0.000 2.175 471 E HA 0.468 4.818 4.350 -0.000 0.000 0.278 471 E C 1.076 177.733 176.600 0.095 0.000 0.969 471 E CA -0.218 56.270 56.400 0.146 0.000 0.796 471 E CB 1.831 31.550 29.700 0.032 0.000 1.104 471 E HN 0.241 nan 8.360 nan 0.000 0.395 472 S N 3.027 118.783 115.700 0.092 0.000 2.414 472 S HA 0.124 4.594 4.470 -0.000 0.000 0.227 472 S C 1.507 176.148 174.600 0.069 0.000 1.022 472 S CA 0.366 58.602 58.200 0.061 0.000 0.958 472 S CB -0.347 62.875 63.200 0.037 0.000 0.797 472 S HN 1.171 nan 8.310 nan 0.000 0.493 473 G N 0.855 109.706 108.800 0.084 0.000 2.132 473 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.228 473 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.228 473 G C 0.371 175.382 174.900 0.185 0.000 1.000 473 G CA 0.317 45.510 45.100 0.154 0.000 0.693 473 G HN 0.590 nan 8.290 nan 0.000 0.515 474 L N -0.640 120.632 121.223 0.081 0.000 2.056 474 L HA 0.559 4.899 4.340 -0.000 0.000 0.207 474 L C 0.943 177.920 176.870 0.179 0.000 1.078 474 L CA 2.180 57.028 54.840 0.013 0.000 0.749 474 L CB -0.182 41.747 42.059 -0.216 0.000 0.901 474 L HN 0.601 nan 8.230 nan 0.000 0.433 475 F N -1.062 118.886 119.950 -0.004 0.000 2.599 475 F HA 0.599 5.126 4.527 -0.000 0.000 0.311 475 F C -0.669 175.070 175.800 -0.101 0.000 1.076 475 F CA -0.323 57.741 58.000 0.107 0.000 0.937 475 F CB 1.562 40.559 39.000 -0.005 0.000 1.282 475 F HN -0.203 nan 8.300 nan 0.000 0.460 476 S N 4.530 119.200 115.700 -1.717 0.000 2.556 476 S HA 0.376 4.846 4.470 -0.000 0.000 0.280 476 S C -2.549 171.195 174.600 -1.426 0.000 1.141 476 S CA -1.003 56.330 58.200 -1.444 0.000 0.883 476 S CB 1.902 64.510 63.200 -0.988 0.000 1.103 476 S HN 0.489 nan 8.310 nan 0.000 0.453 477 P HA 0.015 nan 4.420 nan 0.000 0.226 477 P C 1.262 178.398 177.300 -0.274 0.000 1.146 477 P CA 0.781 63.651 63.100 -0.383 0.000 0.773 477 P CB -0.400 31.184 31.700 -0.194 0.000 0.772 478 c N -1.714 116.673 118.600 -0.356 0.000 2.457 478 c HA -0.083 4.487 4.570 -0.000 0.000 0.278 478 c C 2.492 176.517 174.090 -0.108 0.000 1.309 478 c CA 0.311 56.520 56.329 -0.200 0.000 1.735 478 c CB -2.135 40.314 42.510 -0.102 0.000 1.992 478 c HN 0.179 nan 8.230 nan 0.000 0.493 479 Y N 0.971 121.166 120.300 -0.176 0.000 2.446 479 Y HA -0.084 4.466 4.550 -0.000 0.000 0.287 479 Y C 1.797 177.652 175.900 -0.076 0.000 1.159 479 Y CA 1.072 59.085 58.100 -0.146 0.000 1.297 479 Y CB -0.745 37.633 38.460 -0.136 0.000 0.974 479 Y HN 0.307 nan 8.280 nan 0.000 0.557 480 L N -1.901 119.377 121.223 0.091 0.000 3.039 480 L HA 0.185 4.525 4.340 -0.000 0.000 0.269 480 L C 1.029 177.923 176.870 0.040 0.000 1.169 480 L CA 0.009 54.898 54.840 0.082 0.000 0.986 480 L CB -0.125 42.018 42.059 0.140 0.000 1.377 480 L HN -0.087 nan 8.230 nan 0.000 0.575 481 S N 0.170 115.853 115.700 -0.029 0.000 2.589 481 S HA 0.244 4.714 4.470 -0.000 0.000 0.265 481 S C 0.577 175.041 174.600 -0.226 0.000 1.342 481 S CA -0.241 57.898 58.200 -0.102 0.000 1.005 481 S CB 0.467 63.584 63.200 -0.138 0.000 0.909 481 S HN 0.220 nan 8.310 nan 0.000 0.555 482 L N 0.885 121.936 121.223 -0.287 0.000 2.978 482 L HA 0.337 4.676 4.340 -0.000 0.000 0.239 482 L C 1.037 177.355 176.870 -0.920 0.000 1.293 482 L CA -0.143 54.363 54.840 -0.558 0.000 1.085 482 L CB -0.258 41.745 42.059 -0.094 0.000 1.432 482 L HN 0.573 nan 8.230 nan 0.000 0.512 483 R N 0.977 121.009 120.500 -0.779 0.000 2.346 483 R HA 0.212 4.552 4.340 -0.000 0.000 0.309 483 R C -0.525 175.485 176.300 -0.483 0.000 1.119 483 R CA -0.428 55.379 56.100 -0.489 0.000 1.112 483 R CB 0.257 30.428 30.300 -0.215 0.000 1.132 483 R HN 0.099 nan 8.270 nan 0.000 0.538 484 F N 1.228 121.210 119.950 0.054 0.000 2.713 484 F HA 0.138 4.665 4.527 -0.000 0.000 0.294 484 F C 1.406 177.233 175.800 0.046 0.000 1.152 484 F CA -0.493 57.537 58.000 0.049 0.000 1.385 484 F CB 0.214 39.248 39.000 0.056 0.000 0.981 484 F HN 0.421 nan 8.300 nan 0.000 0.514 485 D N 0.855 121.327 120.400 0.119 0.000 2.277 485 D HA -0.029 4.611 4.640 -0.000 0.000 0.209 485 D C 0.696 177.042 176.300 0.078 0.000 0.970 485 D CA 0.460 54.517 54.000 0.095 0.000 0.874 485 D CB 0.140 40.974 40.800 0.057 0.000 0.982 485 D HN 0.119 nan 8.370 nan 0.000 0.504 486 L N 1.640 122.907 121.223 0.074 0.000 2.530 486 L HA 0.363 4.703 4.340 -0.000 0.000 0.273 486 L C 0.581 177.504 176.870 0.089 0.000 1.141 486 L CA -0.263 54.626 54.840 0.081 0.000 0.905 486 L CB -0.370 41.756 42.059 0.111 0.000 1.202 486 L HN 0.012 nan 8.230 nan 0.000 0.473 487 T N -0.454 114.143 114.554 0.072 0.000 2.841 487 T HA 0.529 4.879 4.350 -0.000 0.000 0.276 487 T C 1.062 175.797 174.700 0.058 0.000 1.003 487 T CA -0.657 61.482 62.100 0.064 0.000 0.995 487 T CB 1.352 70.251 68.868 0.051 0.000 1.260 487 T HN 0.479 nan 8.240 nan 0.000 0.581 488 R N 0.794 121.322 120.500 0.048 0.000 2.113 488 R HA -0.133 4.207 4.340 -0.000 0.000 0.244 488 R C 1.728 178.047 176.300 0.032 0.000 1.142 488 R CA 2.438 58.563 56.100 0.041 0.000 0.953 488 R CB -1.312 29.007 30.300 0.030 0.000 0.860 488 R HN 0.776 nan 8.270 nan 0.000 0.438 489 D N -0.431 119.984 120.400 0.025 0.000 2.110 489 D HA -0.131 4.509 4.640 -0.000 0.000 0.202 489 D C 1.687 177.994 176.300 0.011 0.000 0.975 489 D CA 1.175 55.183 54.000 0.014 0.000 0.839 489 D CB -0.244 40.564 40.800 0.012 0.000 0.996 489 D HN 0.085 nan 8.370 nan 0.000 0.464 490 K N 1.500 121.911 120.400 0.017 0.000 2.074 490 K HA -0.124 4.196 4.320 -0.000 0.000 0.209 490 K C 2.214 178.817 176.600 0.006 0.000 1.048 490 K CA 0.887 57.181 56.287 0.012 0.000 0.926 490 K CB -0.694 31.820 32.500 0.025 0.000 0.713 490 K HN 0.080 nan 8.250 nan 0.000 0.444 491 L N 0.009 121.247 121.223 0.025 0.000 2.083 491 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 491 L C 2.364 179.226 176.870 -0.013 0.000 1.083 491 L CA 0.978 55.831 54.840 0.022 0.000 0.752 491 L CB -0.260 41.845 42.059 0.077 0.000 0.899 491 L HN 0.219 nan 8.230 nan 0.000 0.433 492 L N -1.185 120.035 121.223 -0.005 0.000 2.353 492 L HA -0.194 4.146 4.340 -0.000 0.000 0.220 492 L C 2.433 179.282 176.870 -0.035 0.000 1.133 492 L CA 0.735 55.564 54.840 -0.018 0.000 0.798 492 L CB -0.045 42.009 42.059 -0.008 0.000 0.922 492 L HN 0.261 nan 8.230 nan 0.000 0.445 493 S N -0.684 114.995 115.700 -0.036 0.000 2.362 493 S HA -0.142 4.328 4.470 -0.000 0.000 0.221 493 S C 1.748 176.307 174.600 -0.068 0.000 1.032 493 S CA 1.113 59.282 58.200 -0.050 0.000 0.973 493 S CB -0.116 63.056 63.200 -0.047 0.000 0.849 493 S HN 0.270 nan 8.310 nan 0.000 0.465 494 M N 1.755 121.311 119.600 -0.073 0.000 2.374 494 M HA 0.175 4.655 4.480 -0.000 0.000 0.264 494 M C 0.917 177.152 176.300 -0.108 0.000 1.067 494 M CA 0.144 55.385 55.300 -0.097 0.000 1.103 494 M CB -0.749 31.787 32.600 -0.107 0.000 1.402 494 M HN 0.225 nan 8.290 nan 0.000 0.444 495 A N 2.128 124.891 122.820 -0.094 0.000 2.561 495 A HA 0.193 4.513 4.320 -0.000 0.000 0.234 495 A C -2.030 175.503 177.584 -0.086 0.000 1.055 495 A CA -0.923 51.058 52.037 -0.092 0.000 0.756 495 A CB -1.030 17.929 19.000 -0.068 0.000 0.986 495 A HN 0.222 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 -0.060 0.000 1.220 496 P CA 0.110 63.164 63.100 -0.078 0.000 0.768 496 P CB 0.661 32.316 31.700 -0.076 0.000 0.848 497 Q N 3.001 122.766 119.800 -0.058 0.000 2.503 497 Q HA 0.307 4.647 4.340 -0.000 0.000 0.227 497 Q C -0.287 175.689 176.000 -0.040 0.000 1.109 497 Q CA 0.191 55.965 55.803 -0.047 0.000 0.922 497 Q CB 0.947 29.656 28.738 -0.049 0.000 1.249 497 Q HN 0.539 nan 8.270 nan 0.000 0.530 498 E N 0.030 120.210 120.200 -0.034 0.000 2.352 498 E HA 0.409 4.758 4.350 -0.000 0.000 0.280 498 E C -0.348 176.239 176.600 -0.021 0.000 0.930 498 E CA -0.432 55.952 56.400 -0.028 0.000 0.765 498 E CB 1.571 31.254 29.700 -0.028 0.000 1.219 498 E HN 0.474 nan 8.360 nan 0.000 0.434 499 A N 1.206 124.015 122.820 -0.017 0.000 2.167 499 A HA -0.043 4.277 4.320 -0.000 0.000 0.214 499 A C 1.514 179.092 177.584 -0.011 0.000 1.151 499 A CA 1.031 53.060 52.037 -0.013 0.000 0.735 499 A CB -0.320 18.673 19.000 -0.011 0.000 0.802 499 A HN 0.549 nan 8.150 nan 0.000 0.467 500 T N -0.222 114.324 114.554 -0.012 0.000 3.118 500 T HA 0.239 4.589 4.350 -0.000 0.000 0.260 500 T C -0.030 174.665 174.700 -0.009 0.000 1.139 500 T CA 0.491 62.586 62.100 -0.009 0.000 1.085 500 T CB -0.304 68.558 68.868 -0.009 0.000 0.934 500 T HN 0.155 nan 8.240 nan 0.000 0.518 501 L N 1.628 122.844 121.223 -0.012 0.000 2.333 501 L HA 0.418 4.757 4.340 -0.000 0.000 0.280 501 L C -0.249 176.615 176.870 -0.010 0.000 1.004 501 L CA -0.958 53.875 54.840 -0.012 0.000 0.820 501 L CB 1.464 43.512 42.059 -0.018 0.000 1.247 501 L HN -0.119 nan 8.230 nan 0.000 0.416 502 D N 2.149 122.545 120.400 -0.006 0.000 2.402 502 D HA -0.032 4.608 4.640 -0.000 0.000 0.268 502 D C 1.111 177.407 176.300 -0.006 0.000 1.294 502 D CA 0.331 54.329 54.000 -0.005 0.000 0.945 502 D CB 0.867 41.666 40.800 -0.001 0.000 1.112 502 D HN 0.391 nan 8.370 nan 0.000 0.517 503 Q N 3.080 122.876 119.800 -0.008 0.000 2.217 503 Q HA -0.267 4.073 4.340 -0.000 0.000 0.209 503 Q C 1.729 177.725 176.000 -0.006 0.000 0.988 503 Q CA 1.632 57.429 55.803 -0.009 0.000 0.878 503 Q CB -0.261 28.471 28.738 -0.009 0.000 0.909 503 Q HN 0.696 nan 8.270 nan 0.000 0.424 504 A N 0.714 123.532 122.820 -0.003 0.000 1.872 504 A HA 0.015 4.335 4.320 -0.000 0.000 0.214 504 A C 2.357 179.942 177.584 0.002 0.000 1.187 504 A CA 1.598 53.634 52.037 -0.000 0.000 0.614 504 A CB -0.667 18.334 19.000 0.001 0.000 0.826 504 A HN 0.368 nan 8.150 nan 0.000 0.442 505 A N -0.300 122.521 122.820 0.001 0.000 1.908 505 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 505 A C 2.215 179.800 177.584 0.002 0.000 1.181 505 A CA 1.920 53.959 52.037 0.004 0.000 0.627 505 A CB -1.057 17.945 19.000 0.003 0.000 0.818 505 A HN 0.427 nan 8.150 nan 0.000 0.445 506 V N -0.376 119.535 119.914 -0.004 0.000 2.287 506 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 506 V C 2.780 178.872 176.094 -0.003 0.000 1.053 506 V CA 2.389 64.683 62.300 -0.010 0.000 1.027 506 V CB -1.071 30.742 31.823 -0.018 0.000 0.646 506 V HN 0.669 nan 8.190 nan 0.000 0.447 507 S N 0.371 116.071 115.700 0.001 0.000 2.365 507 S HA -0.263 4.207 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 2.052 60.256 58.200 0.007 0.000 1.033 507 S CB -0.533 62.670 63.200 0.006 0.000 0.887 507 S HN 0.695 nan 8.310 nan 0.000 0.447 508 N N 1.761 120.471 118.700 0.016 0.000 2.104 508 N HA -0.079 4.661 4.740 -0.000 0.000 0.190 508 N C 1.960 177.492 175.510 0.036 0.000 1.024 508 N CA 1.382 54.445 53.050 0.023 0.000 0.853 508 N CB -0.902 37.597 38.487 0.019 0.000 1.008 508 N HN 0.531 nan 8.380 nan 0.000 0.424 509 A N 1.234 124.072 122.820 0.031 0.000 1.865 509 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 509 A C 2.581 180.209 177.584 0.072 0.000 1.191 509 A CA 1.708 53.770 52.037 0.042 0.000 0.623 509 A CB -0.936 18.069 19.000 0.008 0.000 0.826 509 A HN 0.108 nan 8.150 nan 0.000 0.444 510 V N 0.739 120.682 119.914 0.048 0.000 2.332 510 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 510 V C 2.198 178.360 176.094 0.114 0.000 1.055 510 V CA 2.327 64.671 62.300 0.073 0.000 1.038 510 V CB -0.907 30.937 31.823 0.036 0.000 0.651 510 V HN 0.523 nan 8.190 nan 0.000 0.450 511 D N 0.554 120.999 120.400 0.075 0.000 2.097 511 D HA -0.113 4.527 4.640 -0.000 0.000 0.197 511 D C 2.225 178.569 176.300 0.073 0.000 0.984 511 D CA 1.770 55.807 54.000 0.063 0.000 0.826 511 D CB -0.378 40.444 40.800 0.037 0.000 0.973 511 D HN 0.493 nan 8.370 nan 0.000 0.460 512 G N 0.587 109.438 108.800 0.084 0.000 2.459 512 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.217 512 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.217 512 G C 1.501 176.475 174.900 0.124 0.000 1.183 512 G CA 0.398 45.548 45.100 0.084 0.000 0.776 512 G HN 0.189 nan 8.290 nan 0.000 0.552 513 F N 0.983 120.950 119.950 0.027 0.000 2.069 513 F HA -0.085 4.442 4.527 -0.000 0.000 0.298 513 F C 2.419 178.254 175.800 0.058 0.000 1.113 513 F CA 1.566 59.600 58.000 0.058 0.000 1.214 513 F CB -0.568 38.456 39.000 0.040 0.000 0.978 513 F HN 0.109 nan 8.300 nan 0.000 0.474 514 L N 0.472 121.764 121.223 0.114 0.000 2.081 514 L HA -0.094 4.246 4.340 -0.000 0.000 0.212 514 L C 2.397 179.228 176.870 -0.064 0.000 1.080 514 L CA 2.202 57.048 54.840 0.011 0.000 0.754 514 L CB -1.455 40.643 42.059 0.065 0.000 0.893 514 L HN 0.242 nan 8.230 nan 0.000 0.433 515 G N -1.090 107.683 108.800 -0.046 0.000 2.434 515 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.214 515 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.214 515 G C 1.750 176.569 174.900 -0.136 0.000 1.202 515 G CA 0.660 45.718 45.100 -0.070 0.000 0.788 515 G HN 0.408 nan 8.290 nan 0.000 0.539 516 R N -0.166 120.229 120.500 -0.175 0.000 2.193 516 R HA 0.136 4.476 4.340 -0.000 0.000 0.229 516 R C 2.408 178.455 176.300 -0.422 0.000 1.110 516 R CA 0.730 56.657 56.100 -0.288 0.000 0.988 516 R CB -0.296 29.828 30.300 -0.294 0.000 0.871 516 R HN 0.416 nan 8.270 nan 0.000 0.458 517 L N 0.260 121.265 121.223 -0.364 0.000 2.109 517 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 517 L C 2.112 178.875 176.870 -0.178 0.000 1.086 517 L CA 1.605 56.264 54.840 -0.300 0.000 0.760 517 L CB -0.161 41.708 42.059 -0.316 0.000 0.910 517 L HN 0.339 nan 8.230 nan 0.000 0.437 518 S N -1.237 114.379 115.700 -0.140 0.000 2.522 518 S HA -0.031 4.439 4.470 -0.000 0.000 0.227 518 S C 1.665 176.200 174.600 -0.108 0.000 0.986 518 S CA 0.374 58.522 58.200 -0.088 0.000 0.929 518 S CB -0.131 63.032 63.200 -0.061 0.000 0.769 518 S HN 0.432 nan 8.310 nan 0.000 0.529 519 L N -0.016 121.115 121.223 -0.154 0.000 2.362 519 L HA 0.307 4.647 4.340 -0.000 0.000 0.204 519 L C 2.802 179.568 176.870 -0.174 0.000 1.060 519 L CA 0.805 55.553 54.840 -0.153 0.000 0.827 519 L CB -0.335 41.628 42.059 -0.160 0.000 1.027 519 L HN 0.256 nan 8.230 nan 0.000 0.474 520 E N 0.802 120.851 120.200 -0.251 0.000 2.106 520 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 520 E C 1.051 177.560 176.600 -0.151 0.000 0.984 520 E CA 0.753 57.001 56.400 -0.253 0.000 0.806 520 E CB 0.252 29.648 29.700 -0.507 0.000 0.750 520 E HN 0.098 nan 8.360 nan 0.000 0.458 521 R N 0.229 120.655 120.500 -0.124 0.000 2.407 521 R HA 0.335 4.675 4.340 -0.000 0.000 0.303 521 R C -0.396 175.864 176.300 -0.066 0.000 0.981 521 R CA -0.339 55.730 56.100 -0.053 0.000 0.905 521 R CB 0.990 31.301 30.300 0.018 0.000 1.099 521 R HN -0.020 nan 8.270 nan 0.000 0.459 522 E N 1.084 121.229 120.200 -0.091 0.000 2.493 522 E HA 0.168 4.518 4.350 -0.000 0.000 0.243 522 E C -0.450 176.042 176.600 -0.181 0.000 0.875 522 E CA -0.587 55.724 56.400 -0.147 0.000 0.872 522 E CB 1.345 30.918 29.700 -0.212 0.000 1.476 522 E HN 0.633 nan 8.360 nan 0.000 0.394 523 D N -0.803 119.420 120.400 -0.296 0.000 2.323 523 D HA 0.018 4.658 4.640 -0.000 0.000 0.218 523 D C 1.301 177.073 176.300 -0.880 0.000 0.973 523 D CA 0.302 54.086 54.000 -0.359 0.000 0.890 523 D CB 0.301 40.997 40.800 -0.173 0.000 1.011 523 D HN 0.068 nan 8.370 nan 0.000 0.499 524 R N 1.068 120.807 120.500 -1.268 0.000 2.303 524 R HA -0.039 4.301 4.340 -0.000 0.000 0.225 524 R C 0.916 176.547 176.300 -1.116 0.000 1.114 524 R CA 0.706 55.519 56.100 -2.145 0.000 1.007 524 R CB -0.392 29.018 30.300 -1.484 0.000 0.861 524 R HN 0.221 nan 8.270 nan 0.000 0.471 525 D N 0.859 120.879 120.400 -0.633 0.000 2.081 525 D HA -0.100 4.540 4.640 -0.000 0.000 0.194 525 D C 0.983 177.160 176.300 -0.206 0.000 0.986 525 D CA 1.844 55.666 54.000 -0.297 0.000 0.837 525 D CB -0.323 40.395 40.800 -0.137 0.000 0.985 525 D HN 0.257 nan 8.370 nan 0.000 0.448 526 A N -0.301 122.429 122.820 -0.149 0.000 2.426 526 A HA 0.017 4.337 4.320 -0.000 0.000 0.247 526 A C 0.505 177.993 177.584 -0.160 0.000 1.389 526 A CA -0.148 51.879 52.037 -0.017 0.000 1.129 526 A CB -1.018 18.100 19.000 0.196 0.000 0.928 526 A HN 0.255 nan 8.150 nan 0.000 0.557 527 W N -1.218 119.797 121.300 -0.476 0.000 2.630 527 W HA 0.106 4.766 4.660 -0.000 0.000 0.275 527 W C 1.527 177.871 176.519 -0.291 0.000 1.192 527 W CA 0.546 57.534 57.345 -0.596 0.000 1.410 527 W CB -0.617 28.508 29.460 -0.557 0.000 1.075 527 W HN 0.576 nan 8.180 nan 0.000 0.581 528 H N 0.350 119.496 119.070 0.126 0.000 2.568 528 H HA 0.071 4.627 4.556 -0.000 0.000 0.281 528 H C 0.281 175.658 175.328 0.082 0.000 1.028 528 H CA 0.695 56.795 56.048 0.087 0.000 1.199 528 H CB -0.716 29.083 29.762 0.062 0.000 1.352 528 H HN -0.067 nan 8.280 nan 0.000 0.605 529 L N 1.423 122.758 121.223 0.186 0.000 2.276 529 L HA 0.132 4.471 4.340 -0.000 0.000 0.286 529 L C -1.079 175.896 176.870 0.176 0.000 1.061 529 L CA -1.807 53.141 54.840 0.180 0.000 0.807 529 L CB 1.499 43.683 42.059 0.207 0.000 1.177 529 L HN -0.097 nan 8.230 nan 0.000 0.429 530 P HA -0.190 nan 4.420 nan 0.000 0.215 530 P C 1.269 178.634 177.300 0.108 0.000 1.157 530 P CA 1.249 64.413 63.100 0.107 0.000 0.868 530 P CB 0.290 32.038 31.700 0.080 0.000 0.788 531 A N -1.940 120.947 122.820 0.112 0.000 2.067 531 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 531 A C 2.119 179.765 177.584 0.104 0.000 1.158 531 A CA 0.919 53.008 52.037 0.086 0.000 0.661 531 A CB -1.797 17.246 19.000 0.071 0.000 0.801 531 A HN 0.132 nan 8.150 nan 0.000 0.452 532 Y N 1.465 121.791 120.300 0.043 0.000 2.102 532 Y HA -0.318 4.232 4.550 -0.000 0.000 0.280 532 Y C 1.951 177.844 175.900 -0.013 0.000 1.178 532 Y CA 2.472 60.593 58.100 0.035 0.000 1.146 532 Y CB -0.256 38.241 38.460 0.061 0.000 0.968 532 Y HN 0.367 nan 8.280 nan 0.000 0.504 533 K N -1.133 119.319 120.400 0.085 0.000 2.520 533 K HA -0.133 4.187 4.320 -0.000 0.000 0.197 533 K C 1.343 177.894 176.600 -0.082 0.000 1.043 533 K CA 0.952 57.230 56.287 -0.015 0.000 0.944 533 K CB -0.471 32.035 32.500 0.010 0.000 0.770 533 K HN 0.324 nan 8.250 nan 0.000 0.480 534 c N 0.607 119.152 118.600 -0.091 0.000 2.855 534 c HA 0.192 4.762 4.570 -0.000 0.000 0.279 534 c C 0.411 174.430 174.090 -0.119 0.000 1.270 534 c CA -0.732 55.544 56.329 -0.088 0.000 1.702 534 c CB -0.601 41.876 42.510 -0.054 0.000 1.949 534 c HN 0.015 nan 8.230 nan 0.000 0.618 535 V N 2.027 121.825 119.914 -0.193 0.000 2.328 535 V HA 0.237 4.357 4.120 -0.000 0.000 0.278 535 V C 0.228 176.215 176.094 -0.178 0.000 1.021 535 V CA -0.017 62.171 62.300 -0.186 0.000 0.838 535 V CB 1.060 32.741 31.823 -0.237 0.000 0.999 535 V HN 0.243 nan 8.190 nan 0.000 0.447 536 D N 3.115 123.443 120.400 -0.120 0.000 2.087 536 D HA -0.028 4.612 4.640 -0.000 0.000 0.203 536 D C 1.187 177.433 176.300 -0.089 0.000 0.976 536 D CA 1.298 55.240 54.000 -0.097 0.000 0.865 536 D CB 0.104 40.858 40.800 -0.075 0.000 1.005 536 D HN 0.408 nan 8.370 nan 0.000 0.449 537 R N 1.931 122.390 120.500 -0.068 0.000 3.268 537 R HA 0.142 4.482 4.340 -0.000 0.000 0.217 537 R C 1.278 177.545 176.300 -0.056 0.000 1.568 537 R CA -0.091 55.979 56.100 -0.049 0.000 1.322 537 R CB -0.191 30.093 30.300 -0.026 0.000 1.280 537 R HN 0.324 nan 8.270 nan 0.000 0.667 538 L N -0.632 120.538 121.223 -0.088 0.000 2.376 538 L HA -0.059 4.281 4.340 -0.000 0.000 0.219 538 L C 1.412 178.242 176.870 -0.067 0.000 1.133 538 L CA 1.099 55.873 54.840 -0.110 0.000 0.816 538 L CB -0.287 41.660 42.059 -0.187 0.000 0.933 538 L HN 0.294 nan 8.230 nan 0.000 0.449 539 D N 0.731 121.108 120.400 -0.039 0.000 2.269 539 D HA -0.187 4.453 4.640 -0.000 0.000 0.208 539 D C 0.994 177.299 176.300 0.008 0.000 0.963 539 D CA 0.837 54.826 54.000 -0.018 0.000 0.864 539 D CB -0.189 40.606 40.800 -0.008 0.000 0.936 539 D HN 0.529 nan 8.370 nan 0.000 0.505 540 K N 0.994 121.404 120.400 0.017 0.000 2.577 540 K HA 0.236 4.556 4.320 -0.000 0.000 0.210 540 K C -0.296 176.344 176.600 0.067 0.000 1.048 540 K CA -0.206 56.108 56.287 0.045 0.000 1.188 540 K CB 1.563 34.093 32.500 0.050 0.000 0.910 540 K HN 0.003 nan 8.250 nan 0.000 0.483 541 V N 2.371 122.324 119.914 0.065 0.000 2.383 541 V HA 0.113 4.233 4.120 -0.000 0.000 0.275 541 V C 1.429 177.633 176.094 0.183 0.000 1.036 541 V CA -0.233 62.134 62.300 0.111 0.000 0.889 541 V CB 1.144 33.017 31.823 0.084 0.000 0.985 541 V HN 0.290 nan 8.190 nan 0.000 0.459 542 L N 4.480 125.807 121.223 0.173 0.000 2.034 542 L HA 0.213 4.553 4.340 -0.000 0.000 0.203 542 L C 0.756 177.756 176.870 0.216 0.000 1.074 542 L CA 1.349 56.290 54.840 0.169 0.000 0.748 542 L CB -0.062 42.059 42.059 0.102 0.000 0.905 542 L HN 0.735 nan 8.230 nan 0.000 0.439 543 M N -0.105 119.616 119.600 0.202 0.000 2.449 543 M HA 0.438 4.918 4.480 -0.000 0.000 0.291 543 M C -1.746 174.667 176.300 0.188 0.000 1.148 543 M CA -0.718 54.680 55.300 0.162 0.000 0.925 543 M CB 2.370 34.989 32.600 0.031 0.000 1.767 543 M HN 0.026 nan 8.290 nan 0.000 0.503 544 I N 1.204 121.901 120.570 0.211 0.000 2.377 544 I HA 0.633 4.803 4.170 -0.000 0.000 0.293 544 I C -1.193 175.017 176.117 0.154 0.000 0.987 544 I CA -0.940 60.489 61.300 0.213 0.000 1.185 544 I CB 1.657 39.821 38.000 0.273 0.000 1.341 544 I HN 0.758 nan 8.210 nan 0.000 0.455 545 I N 6.460 127.136 120.570 0.178 0.000 2.388 545 I HA 0.362 4.532 4.170 -0.000 0.000 0.281 545 I C -2.431 173.773 176.117 0.144 0.000 1.046 545 I CA -1.886 59.499 61.300 0.142 0.000 1.187 545 I CB 1.147 39.246 38.000 0.165 0.000 1.351 545 I HN 0.300 nan 8.210 nan 0.000 0.472 546 P HA 0.154 nan 4.420 nan 0.000 0.269 546 P C -0.513 176.783 177.300 -0.006 0.000 1.252 546 P CA -0.066 63.066 63.100 0.053 0.000 0.780 546 P CB 0.632 32.360 31.700 0.046 0.000 0.829 547 L N 3.708 124.970 121.223 0.065 0.000 2.492 547 L HA 0.391 4.731 4.340 -0.000 0.000 0.263 547 L C 1.758 178.690 176.870 0.103 0.000 1.062 547 L CA -0.541 54.351 54.840 0.087 0.000 0.817 547 L CB 0.105 42.313 42.059 0.248 0.000 1.441 547 L HN 0.262 nan 8.230 nan 0.000 0.493 548 I N 0.103 120.780 120.570 0.178 0.000 2.094 548 I HA -0.204 3.965 4.170 -0.000 0.000 0.234 548 I C 1.290 177.485 176.117 0.130 0.000 1.063 548 I CA 1.256 62.657 61.300 0.168 0.000 1.328 548 I CB -0.231 37.898 38.000 0.216 0.000 1.058 548 I HN 0.610 nan 8.210 nan 0.000 0.400 549 N N 0.084 118.868 118.700 0.140 0.000 2.299 549 N HA 0.103 4.843 4.740 -0.000 0.000 0.187 549 N C -0.041 175.506 175.510 0.062 0.000 1.099 549 N CA 0.397 53.507 53.050 0.100 0.000 0.867 549 N CB 1.048 39.602 38.487 0.111 0.000 0.974 549 N HN 0.306 nan 8.380 nan 0.000 0.477 550 V N -3.000 116.948 119.914 0.057 0.000 3.112 550 V HA 0.747 4.867 4.120 -0.000 0.000 0.310 550 V C -0.936 175.143 176.094 -0.024 0.000 1.364 550 V CA -0.827 61.454 62.300 -0.031 0.000 1.058 550 V CB 1.605 33.341 31.823 -0.145 0.000 1.079 550 V HN 0.066 nan 8.190 nan 0.000 0.463 551 T N -1.282 113.201 114.554 -0.119 0.000 3.143 551 T HA 0.668 5.018 4.350 -0.000 0.000 0.312 551 T C -1.168 173.469 174.700 -0.105 0.000 0.986 551 T CA -0.048 62.037 62.100 -0.024 0.000 1.024 551 T CB 0.646 69.535 68.868 0.035 0.000 1.030 551 T HN 0.618 nan 8.240 nan 0.000 0.448 552 F N 2.287 122.284 119.950 0.078 0.000 2.396 552 F HA 0.601 5.128 4.527 -0.000 0.000 0.343 552 F C 0.635 176.490 175.800 0.092 0.000 1.104 552 F CA -1.092 56.960 58.000 0.086 0.000 1.161 552 F CB 1.027 40.077 39.000 0.083 0.000 1.146 552 F HN 0.481 nan 8.300 nan 0.000 0.522 553 I N 5.252 125.980 120.570 0.263 0.000 2.437 553 I HA 0.251 4.421 4.170 -0.000 0.000 0.279 553 I C -0.960 175.281 176.117 0.208 0.000 1.028 553 I CA -0.570 60.848 61.300 0.198 0.000 1.142 553 I CB 0.944 39.016 38.000 0.120 0.000 1.266 553 I HN 0.318 nan 8.210 nan 0.000 0.461 554 I N 6.220 126.908 120.570 0.196 0.000 2.352 554 I HA 0.273 4.443 4.170 -0.000 0.000 0.290 554 I C 0.560 176.768 176.117 0.153 0.000 1.036 554 I CA 0.655 62.053 61.300 0.164 0.000 1.336 554 I CB 0.982 39.052 38.000 0.117 0.000 1.407 554 I HN 0.621 nan 8.210 nan 0.000 0.497 555 S N 2.481 118.281 115.700 0.167 0.000 2.656 555 S HA 0.486 4.956 4.470 -0.000 0.000 0.273 555 S C 0.077 174.795 174.600 0.198 0.000 1.168 555 S CA -0.286 58.010 58.200 0.159 0.000 0.817 555 S CB 1.385 64.671 63.200 0.143 0.000 1.146 555 S HN 0.474 nan 8.310 nan 0.000 0.475 556 S N -0.119 115.681 115.700 0.168 0.000 2.622 556 S HA 0.312 4.782 4.470 -0.000 0.000 0.236 556 S C -0.330 174.462 174.600 0.319 0.000 0.956 556 S CA -0.312 57.989 58.200 0.168 0.000 0.971 556 S CB -0.962 62.281 63.200 0.073 0.000 0.782 556 S HN 0.853 nan 8.310 nan 0.000 0.468 557 D N 0.715 121.336 120.400 0.368 0.000 2.934 557 D HA 0.167 4.807 4.640 -0.000 0.000 0.230 557 D C 0.085 176.340 176.300 -0.074 0.000 1.204 557 D CA -0.855 53.260 54.000 0.192 0.000 0.873 557 D CB 1.271 42.111 40.800 0.066 0.000 1.645 557 D HN 0.301 nan 8.370 nan 0.000 0.502 558 R N 0.693 120.922 120.500 -0.452 0.000 2.555 558 R HA 0.169 4.509 4.340 -0.000 0.000 0.272 558 R C -0.012 176.098 176.300 -0.317 0.000 1.089 558 R CA -0.305 55.368 56.100 -0.710 0.000 1.126 558 R CB 0.064 29.766 30.300 -0.997 0.000 1.250 558 R HN 0.232 nan 8.270 nan 0.000 0.551 559 E N 0.867 120.958 120.200 -0.182 0.000 2.318 559 E HA 0.032 4.382 4.350 -0.000 0.000 0.193 559 E C 0.501 177.038 176.600 -0.105 0.000 0.998 559 E CA 0.214 56.541 56.400 -0.121 0.000 0.859 559 E CB 0.243 29.894 29.700 -0.081 0.000 0.812 559 E HN 0.133 nan 8.360 nan 0.000 0.492 560 V N 3.562 123.418 119.914 -0.096 0.000 2.644 560 V HA -0.125 3.995 4.120 -0.000 0.000 0.305 560 V C 1.087 177.133 176.094 -0.081 0.000 1.053 560 V CA 0.558 62.813 62.300 -0.075 0.000 1.186 560 V CB -0.069 31.729 31.823 -0.042 0.000 0.895 560 V HN 0.247 nan 8.190 nan 0.000 0.490 561 R N 3.617 124.073 120.500 -0.072 0.000 4.231 561 R HA 0.454 4.794 4.340 -0.000 0.000 0.250 561 R C 0.676 176.941 176.300 -0.059 0.000 1.600 561 R CA 0.012 56.071 56.100 -0.068 0.000 1.523 561 R CB 0.074 30.336 30.300 -0.063 0.000 1.422 561 R HN 0.691 nan 8.270 nan 0.000 0.759 562 G N 0.441 109.206 108.800 -0.058 0.000 3.152 562 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.157 562 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.157 562 G C 0.428 175.293 174.900 -0.057 0.000 1.786 562 G CA -0.274 44.792 45.100 -0.056 0.000 1.055 562 G HN 0.317 nan 8.290 nan 0.000 0.528 563 S N -0.680 114.984 115.700 -0.060 0.000 2.539 563 S HA 0.616 5.086 4.470 -0.000 0.000 0.226 563 S C 0.515 175.077 174.600 -0.064 0.000 1.054 563 S CA 0.484 58.651 58.200 -0.054 0.000 0.910 563 S CB 0.699 63.870 63.200 -0.048 0.000 0.818 563 S HN 0.999 nan 8.310 nan 0.000 0.490 564 A N 0.685 123.462 122.820 -0.072 0.000 2.599 564 A HA 0.783 5.103 4.320 -0.000 0.000 0.290 564 A C -2.249 175.258 177.584 -0.128 0.000 1.101 564 A CA -0.564 51.396 52.037 -0.127 0.000 0.674 564 A CB 1.016 19.907 19.000 -0.181 0.000 1.277 564 A HN 0.180 nan 8.150 nan 0.000 0.419 565 L N 0.548 121.651 121.223 -0.201 0.000 2.356 565 L HA 0.774 5.114 4.340 -0.000 0.000 0.277 565 L C -1.826 174.956 176.870 -0.146 0.000 0.996 565 L CA -0.243 54.524 54.840 -0.121 0.000 0.822 565 L CB 1.216 43.187 42.059 -0.147 0.000 1.256 565 L HN 0.635 nan 8.230 nan 0.000 0.413 566 Y N 2.674 123.069 120.300 0.158 0.000 2.468 566 Y HA 0.651 5.201 4.550 -0.000 0.000 0.342 566 Y C -0.275 175.773 175.900 0.246 0.000 1.021 566 Y CA -0.629 57.572 58.100 0.169 0.000 1.079 566 Y CB 1.964 40.512 38.460 0.147 0.000 1.226 566 Y HN 0.597 nan 8.280 nan 0.000 0.460 567 E N 1.658 122.069 120.200 0.352 0.000 2.278 567 E HA 0.718 5.068 4.350 -0.000 0.000 0.272 567 E C -1.444 175.177 176.600 0.035 0.000 0.890 567 E CA -0.826 55.666 56.400 0.153 0.000 0.770 567 E CB 1.294 31.094 29.700 0.167 0.000 1.212 567 E HN 0.783 nan 8.360 nan 0.000 0.415 568 A N 2.297 125.055 122.820 -0.104 0.000 2.406 568 A HA 0.226 4.546 4.320 -0.000 0.000 0.243 568 A C 1.069 178.616 177.584 -0.062 0.000 1.082 568 A CA 0.377 52.340 52.037 -0.122 0.000 0.786 568 A CB 0.459 19.212 19.000 -0.412 0.000 1.029 568 A HN 0.812 nan 8.150 nan 0.000 0.495 569 S N 0.046 115.749 115.700 0.005 0.000 2.453 569 S HA -0.031 4.439 4.470 -0.000 0.000 0.231 569 S C 1.066 175.710 174.600 0.075 0.000 1.005 569 S CA 1.057 59.276 58.200 0.031 0.000 0.949 569 S CB -0.636 62.578 63.200 0.023 0.000 0.774 569 S HN 0.929 nan 8.310 nan 0.000 0.510 570 T N 2.785 117.416 114.554 0.128 0.000 2.901 570 T HA 0.329 4.679 4.350 -0.000 0.000 0.301 570 T C 0.843 175.589 174.700 0.076 0.000 1.012 570 T CA 0.584 62.807 62.100 0.206 0.000 1.135 570 T CB 0.683 69.747 68.868 0.327 0.000 0.936 570 T HN 0.475 nan 8.240 nan 0.000 0.539 571 T N 2.006 116.612 114.554 0.087 0.000 3.209 571 T HA 0.182 4.532 4.350 -0.000 0.000 0.295 571 T C 1.174 175.861 174.700 -0.022 0.000 0.977 571 T CA -0.370 61.720 62.100 -0.018 0.000 0.922 571 T CB -0.473 68.355 68.868 -0.066 0.000 1.152 571 T HN 0.619 nan 8.240 nan 0.000 0.527 572 Y N 1.974 122.278 120.300 0.007 0.000 2.207 572 Y HA 0.133 4.683 4.550 -0.000 0.000 0.287 572 Y C 1.130 177.024 175.900 -0.009 0.000 1.156 572 Y CA 0.490 58.594 58.100 0.008 0.000 1.182 572 Y CB -0.521 37.952 38.460 0.022 0.000 0.979 572 Y HN 0.220 nan 8.280 nan 0.000 0.521 573 L N -0.875 120.429 121.223 0.135 0.000 2.473 573 L HA -0.051 4.289 4.340 -0.000 0.000 0.265 573 L C 1.684 178.566 176.870 0.020 0.000 1.243 573 L CA 0.538 55.413 54.840 0.058 0.000 0.822 573 L CB -0.019 42.051 42.059 0.018 0.000 1.101 573 L HN -0.086 nan 8.230 nan 0.000 0.507 574 S N -0.987 114.721 115.700 0.013 0.000 2.351 574 S HA -0.123 4.347 4.470 -0.000 0.000 0.220 574 S C 0.927 175.523 174.600 -0.007 0.000 1.035 574 S CA 1.541 59.744 58.200 0.005 0.000 1.031 574 S CB -0.175 63.031 63.200 0.010 0.000 0.928 574 S HN 0.678 nan 8.310 nan 0.000 0.433 575 S N 0.227 115.919 115.700 -0.014 0.000 2.667 575 S HA 0.564 5.034 4.470 -0.000 0.000 0.292 575 S C 0.218 174.763 174.600 -0.092 0.000 1.108 575 S CA -0.817 57.367 58.200 -0.027 0.000 0.992 575 S CB 1.128 64.330 63.200 0.004 0.000 1.269 575 S HN 0.306 nan 8.310 nan 0.000 0.528 576 S N 0.527 116.122 115.700 -0.175 0.000 2.713 576 S HA 0.577 5.047 4.470 -0.000 0.000 0.283 576 S C -1.032 173.275 174.600 -0.488 0.000 1.161 576 S CA -0.520 57.436 58.200 -0.407 0.000 0.999 576 S CB 0.825 63.591 63.200 -0.725 0.000 1.039 576 S HN 0.409 nan 8.310 nan 0.000 0.548 577 L N 2.582 123.470 121.223 -0.559 0.000 2.301 577 L HA 0.544 4.884 4.340 -0.000 0.000 0.278 577 L C -1.679 174.941 176.870 -0.416 0.000 1.022 577 L CA -0.098 54.499 54.840 -0.405 0.000 0.854 577 L CB -0.523 41.304 42.059 -0.388 0.000 1.226 577 L HN 0.405 nan 8.230 nan 0.000 0.429 578 F N 4.515 124.461 119.950 -0.007 0.000 2.440 578 F HA 0.612 5.139 4.527 -0.000 0.000 0.328 578 F C -0.137 175.708 175.800 0.076 0.000 1.070 578 F CA -0.700 57.323 58.000 0.039 0.000 1.011 578 F CB 1.363 40.386 39.000 0.038 0.000 1.226 578 F HN 0.138 nan 8.300 nan 0.000 0.491 579 L N 1.733 123.186 121.223 0.384 0.000 2.471 579 L HA 0.344 4.684 4.340 -0.000 0.000 0.263 579 L C -0.794 176.300 176.870 0.372 0.000 0.985 579 L CA -0.142 54.908 54.840 0.350 0.000 0.868 579 L CB 1.472 43.728 42.059 0.329 0.000 1.203 579 L HN 0.462 nan 8.230 nan 0.000 0.429 580 S N 4.757 120.619 115.700 0.270 0.000 2.420 580 S HA 0.478 4.948 4.470 -0.000 0.000 0.313 580 S C -2.487 172.167 174.600 0.090 0.000 1.079 580 S CA -1.050 57.242 58.200 0.152 0.000 1.104 580 S CB 1.067 64.305 63.200 0.063 0.000 0.969 580 S HN 0.286 nan 8.310 nan 0.000 0.471 581 P HA 0.318 nan 4.420 nan 0.000 0.301 581 P C -0.978 176.181 177.300 -0.234 0.000 1.338 581 P CA -0.590 62.288 63.100 -0.371 0.000 0.834 581 P CB 1.312 32.670 31.700 -0.570 0.000 0.967 582 V N 6.449 126.231 119.914 -0.220 0.000 2.304 582 V HA 0.183 4.303 4.120 -0.000 0.000 0.262 582 V C 1.106 177.128 176.094 -0.120 0.000 1.061 582 V CA -0.660 61.567 62.300 -0.121 0.000 0.872 582 V CB 0.477 32.260 31.823 -0.065 0.000 1.077 582 V HN 0.564 nan 8.190 nan 0.000 0.480 583 I N 5.803 126.315 120.570 -0.097 0.000 2.648 583 I HA 0.121 4.291 4.170 -0.000 0.000 0.284 583 I C 1.016 177.117 176.117 -0.027 0.000 1.153 583 I CA -0.085 61.178 61.300 -0.062 0.000 1.426 583 I CB 0.522 38.499 38.000 -0.037 0.000 1.381 583 I HN 0.777 nan 8.210 nan 0.000 0.571 584 M N 6.001 125.597 119.600 -0.007 0.000 2.503 584 M HA -0.333 4.147 4.480 -0.000 0.000 0.199 584 M C 0.601 176.906 176.300 0.009 0.000 0.466 584 M CA 1.078 56.384 55.300 0.011 0.000 0.510 584 M CB -2.166 30.442 32.600 0.013 0.000 1.858 584 M HN 0.884 nan 8.290 nan 0.000 0.799 585 N N -0.772 117.930 118.700 0.002 0.000 2.644 585 N HA -0.261 4.479 4.740 -0.000 0.000 0.248 585 N C -0.366 175.150 175.510 0.010 0.000 1.150 585 N CA 1.504 54.561 53.050 0.011 0.000 0.727 585 N CB -0.646 37.860 38.487 0.032 0.000 1.091 585 N HN 0.814 nan 8.380 nan 0.000 0.556 586 K N -0.316 120.083 120.400 -0.001 0.000 2.426 586 K HA 0.604 4.924 4.320 -0.000 0.000 0.254 586 K C -0.239 176.352 176.600 -0.015 0.000 0.936 586 K CA -0.982 55.303 56.287 -0.003 0.000 0.801 586 K CB 1.299 33.799 32.500 0.001 0.000 1.139 586 K HN 0.144 nan 8.250 nan 0.000 0.424 587 c N 0.760 119.349 118.600 -0.018 0.000 2.364 587 c HA 0.739 5.309 4.570 -0.000 0.000 0.356 587 c C 0.621 174.694 174.090 -0.028 0.000 1.201 587 c CA -0.832 55.480 56.329 -0.028 0.000 2.227 587 c CB 0.624 43.113 42.510 -0.035 0.000 2.387 587 c HN 0.911 nan 8.230 nan 0.000 0.546 588 S N 1.623 117.303 115.700 -0.033 0.000 2.672 588 S HA 0.448 4.918 4.470 -0.000 0.000 0.276 588 S C -0.407 174.171 174.600 -0.036 0.000 1.207 588 S CA -0.608 57.573 58.200 -0.031 0.000 1.002 588 S CB 0.556 63.736 63.200 -0.032 0.000 0.998 588 S HN 0.930 nan 8.310 nan 0.000 0.542 589 Q N 0.703 120.483 119.800 -0.033 0.000 2.297 589 Q HA 0.504 4.844 4.340 -0.000 0.000 0.267 589 Q C 0.533 176.509 176.000 -0.040 0.000 1.006 589 Q CA -0.293 55.489 55.803 -0.035 0.000 0.896 589 Q CB -0.150 28.570 28.738 -0.030 0.000 1.186 589 Q HN 1.460 nan 8.270 nan 0.000 0.392 590 G N 1.087 109.860 108.800 -0.045 0.000 2.716 590 G HA2 0.074 4.034 3.960 -0.000 0.000 0.686 590 G HA3 0.074 4.034 3.960 -0.000 0.000 0.686 590 G C -0.424 174.440 174.900 -0.060 0.000 1.337 590 G CA -0.537 44.532 45.100 -0.051 0.000 0.829 590 G HN 1.066 nan 8.290 nan 0.000 0.599 591 A N 0.798 123.576 122.820 -0.070 0.000 2.267 591 A HA 0.823 5.143 4.320 -0.000 0.000 0.271 591 A C 1.198 178.731 177.584 -0.086 0.000 1.131 591 A CA 0.331 52.315 52.037 -0.087 0.000 0.818 591 A CB 0.341 19.275 19.000 -0.109 0.000 1.118 591 A HN 2.083 nan 8.150 nan 0.000 0.501 592 V N 0.074 119.927 119.914 -0.102 0.000 3.287 592 V HA 0.361 4.481 4.120 -0.000 0.000 0.306 592 V C 1.333 177.375 176.094 -0.087 0.000 1.103 592 V CA -0.041 62.202 62.300 -0.095 0.000 1.159 592 V CB 0.021 31.775 31.823 -0.114 0.000 1.036 592 V HN 1.174 nan 8.190 nan 0.000 0.487 593 A N 2.287 125.065 122.820 -0.071 0.000 2.364 593 A HA 0.527 4.847 4.320 -0.000 0.000 0.258 593 A C 1.039 178.586 177.584 -0.060 0.000 1.131 593 A CA 0.291 52.293 52.037 -0.058 0.000 0.800 593 A CB -0.595 18.378 19.000 -0.046 0.000 1.086 593 A HN 1.334 nan 8.150 nan 0.000 0.508 594 G N -1.790 106.983 108.800 -0.045 0.000 2.664 594 G HA2 0.428 4.388 3.960 -0.000 0.000 0.242 594 G HA3 0.428 4.388 3.960 -0.000 0.000 0.242 594 G C -0.065 174.817 174.900 -0.030 0.000 1.225 594 G CA 0.851 45.929 45.100 -0.037 0.000 0.849 594 G HN 1.348 nan 8.290 nan 0.000 0.581 595 E N -0.578 119.614 120.200 -0.014 0.000 6.993 595 E HA -0.126 4.224 4.350 -0.000 0.000 0.276 595 E C -2.334 174.264 176.600 -0.004 0.000 1.113 595 E CA 0.143 56.546 56.400 0.004 0.000 1.400 595 E CB -0.673 29.027 29.700 0.001 0.000 0.936 595 E HN 0.399 nan 8.360 nan 0.000 0.285 596 P HA 0.201 nan 4.420 nan 0.000 0.274 596 P C -0.546 176.759 177.300 0.009 0.000 1.237 596 P CA -0.423 62.693 63.100 0.028 0.000 0.793 596 P CB 0.565 32.364 31.700 0.165 0.000 0.977 597 R N 1.697 122.156 120.500 -0.068 0.000 2.340 597 R HA 0.134 4.474 4.340 -0.000 0.000 0.300 597 R C -0.062 176.295 176.300 0.094 0.000 1.069 597 R CA -0.192 55.863 56.100 -0.074 0.000 0.984 597 R CB 0.343 30.452 30.300 -0.318 0.000 1.003 597 R HN 0.502 nan 8.270 nan 0.000 0.459 598 Q N 3.921 123.799 119.800 0.129 0.000 2.293 598 Q HA 0.203 4.543 4.340 -0.000 0.000 0.251 598 Q C -0.176 175.965 176.000 0.235 0.000 0.930 598 Q CA -0.306 55.597 55.803 0.166 0.000 0.893 598 Q CB 1.482 30.277 28.738 0.094 0.000 1.215 598 Q HN 0.537 nan 8.270 nan 0.000 0.425 599 I N 5.149 125.837 120.570 0.197 0.000 2.494 599 I HA 0.065 4.235 4.170 -0.000 0.000 0.289 599 I C -1.667 174.483 176.117 0.055 0.000 1.106 599 I CA -1.564 59.797 61.300 0.102 0.000 1.369 599 I CB -0.078 37.931 38.000 0.016 0.000 1.410 599 I HN 0.338 nan 8.210 nan 0.000 0.523 600 P HA 0.143 nan 4.420 nan 0.000 0.275 600 P C -1.041 176.255 177.300 -0.007 0.000 1.227 600 P CA -0.408 62.708 63.100 0.027 0.000 0.781 600 P CB 0.765 32.487 31.700 0.038 0.000 0.906 601 K N 3.009 123.397 120.400 -0.021 0.000 2.172 601 K HA 0.564 4.884 4.320 -0.000 0.000 0.276 601 K C 0.029 176.585 176.600 -0.073 0.000 1.013 601 K CA -0.613 55.650 56.287 -0.041 0.000 0.913 601 K CB 1.109 33.585 32.500 -0.040 0.000 1.055 601 K HN 0.461 nan 8.250 nan 0.000 0.461 602 I N 1.993 122.502 120.570 -0.102 0.000 2.608 602 I HA 0.146 4.316 4.170 -0.000 0.000 0.295 602 I C 0.294 176.278 176.117 -0.222 0.000 1.049 602 I CA -0.486 60.709 61.300 -0.174 0.000 1.063 602 I CB 2.137 40.010 38.000 -0.212 0.000 1.248 602 I HN 0.620 nan 8.210 nan 0.000 0.424 603 Q N 2.556 122.207 119.800 -0.248 0.000 2.103 603 Q HA 0.200 4.540 4.340 -0.000 0.000 0.219 603 Q C 0.959 176.819 176.000 -0.233 0.000 0.784 603 Q CA -0.243 55.410 55.803 -0.250 0.000 1.014 603 Q CB 0.772 29.387 28.738 -0.205 0.000 1.183 603 Q HN 0.581 nan 8.270 nan 0.000 0.469 604 N N 0.978 119.483 118.700 -0.325 0.000 2.022 604 N HA -0.079 4.661 4.740 -0.000 0.000 0.194 604 N C 0.213 175.613 175.510 -0.182 0.000 1.057 604 N CA 1.048 53.911 53.050 -0.312 0.000 0.849 604 N CB -0.181 38.025 38.487 -0.468 0.000 1.044 604 N HN 0.074 nan 8.380 nan 0.000 0.424 605 F N 1.493 121.453 119.950 0.016 0.000 2.623 605 F HA -0.059 4.468 4.527 -0.000 0.000 0.381 605 F C 1.442 177.245 175.800 0.005 0.000 1.081 605 F CA -0.203 57.827 58.000 0.050 0.000 1.293 605 F CB -0.615 38.495 39.000 0.185 0.000 1.006 605 F HN -0.032 nan 8.300 nan 0.000 0.578 606 T N 1.022 115.700 114.554 0.206 0.000 2.929 606 T HA 0.482 4.831 4.350 -0.000 0.000 0.284 606 T C 1.176 175.931 174.700 0.093 0.000 1.014 606 T CA -1.065 61.095 62.100 0.099 0.000 1.051 606 T CB 1.737 70.641 68.868 0.060 0.000 1.028 606 T HN 0.544 nan 8.240 nan 0.000 0.485 607 R N 0.899 121.439 120.500 0.067 0.000 2.109 607 R HA -0.033 4.307 4.340 -0.000 0.000 0.227 607 R C 0.740 177.068 176.300 0.045 0.000 1.132 607 R CA 1.243 57.383 56.100 0.067 0.000 0.907 607 R CB -1.396 28.942 30.300 0.064 0.000 0.825 607 R HN 0.673 nan 8.270 nan 0.000 0.432 608 T N 2.711 117.282 114.554 0.028 0.000 2.871 608 T HA 0.017 4.367 4.350 -0.000 0.000 0.296 608 T C 0.124 174.815 174.700 -0.016 0.000 0.998 608 T CA 0.402 62.506 62.100 0.006 0.000 1.162 608 T CB 0.603 69.472 68.868 0.003 0.000 0.947 608 T HN 0.095 nan 8.240 nan 0.000 0.536 609 Q N 2.062 121.836 119.800 -0.043 0.000 2.304 609 Q HA 0.311 4.651 4.340 -0.000 0.000 0.270 609 Q C 0.667 176.614 176.000 -0.088 0.000 1.035 609 Q CA -0.654 55.097 55.803 -0.087 0.000 0.781 609 Q CB 2.479 31.122 28.738 -0.159 0.000 1.261 609 Q HN 0.660 nan 8.270 nan 0.000 0.444 610 K N 1.144 121.493 120.400 -0.085 0.000 1.967 610 K HA -0.014 4.306 4.320 -0.000 0.000 0.212 610 K C 0.823 177.365 176.600 -0.096 0.000 1.044 610 K CA 1.243 57.485 56.287 -0.075 0.000 0.942 610 K CB 0.113 32.577 32.500 -0.061 0.000 0.726 610 K HN 0.696 nan 8.250 nan 0.000 0.440 611 S N -0.590 115.039 115.700 -0.118 0.000 2.694 611 S HA 0.111 4.580 4.470 -0.000 0.000 0.278 611 S C 0.070 174.554 174.600 -0.193 0.000 1.152 611 S CA -0.991 57.128 58.200 -0.135 0.000 1.010 611 S CB 1.351 64.478 63.200 -0.122 0.000 1.104 611 S HN 0.387 nan 8.310 nan 0.000 0.547 612 C N 2.040 121.220 119.300 -0.200 0.000 2.262 612 C HA 0.442 4.902 4.460 -0.000 0.000 0.413 612 C C 1.625 176.407 174.990 -0.348 0.000 1.019 612 C CA -0.869 57.996 59.018 -0.254 0.000 1.320 612 C CB -2.905 24.710 27.740 -0.208 0.000 1.657 612 C HN 0.759 nan 8.230 nan 0.000 0.510 613 I N 2.747 123.019 120.570 -0.497 0.000 2.072 613 I HA -0.069 4.101 4.170 -0.000 0.000 0.235 613 I C 0.750 176.496 176.117 -0.619 0.000 1.058 613 I CA 1.507 62.432 61.300 -0.624 0.000 1.320 613 I CB -0.459 36.919 38.000 -1.037 0.000 1.047 613 I HN 0.416 nan 8.210 nan 0.000 0.397 614 F N 0.835 120.604 119.950 -0.302 0.000 2.659 614 F HA 0.169 4.696 4.527 -0.000 0.000 0.360 614 F C 1.142 176.690 175.800 -0.420 0.000 1.218 614 F CA -0.724 57.096 58.000 -0.301 0.000 1.317 614 F CB -1.050 37.970 39.000 0.033 0.000 1.697 614 F HN 0.108 nan 8.300 nan 0.000 0.637 615 C N 0.699 119.663 119.300 -0.560 0.000 3.529 615 C HA 0.187 4.647 4.460 -0.000 0.000 0.288 615 C C 2.823 177.612 174.990 -0.334 0.000 1.353 615 C CA 1.203 59.988 59.018 -0.388 0.000 1.705 615 C CB -0.777 26.758 27.740 -0.342 0.000 2.156 615 C HN 0.827 nan 8.230 nan 0.000 0.555 616 G N 0.155 108.774 108.800 -0.303 0.000 3.094 616 G HA2 0.132 4.092 3.960 -0.000 0.000 0.208 616 G HA3 0.132 4.092 3.960 -0.000 0.000 0.208 616 G C 0.301 175.478 174.900 0.462 0.000 1.189 616 G CA 0.242 45.384 45.100 0.070 0.000 0.856 616 G HN 0.296 nan 8.290 nan 0.000 0.510 617 F N 0.204 120.272 119.950 0.196 0.000 2.377 617 F HA 0.803 5.330 4.527 -0.000 0.000 0.335 617 F C 0.516 176.486 175.800 0.283 0.000 1.099 617 F CA -2.305 55.838 58.000 0.239 0.000 1.072 617 F CB 0.991 40.102 39.000 0.185 0.000 1.417 617 F HN 0.062 nan 8.300 nan 0.000 0.495 618 A N 0.456 123.530 122.820 0.423 0.000 2.515 618 A HA 0.753 5.073 4.320 -0.000 0.000 0.298 618 A C -1.609 176.065 177.584 0.150 0.000 1.059 618 A CA -0.629 51.595 52.037 0.312 0.000 0.698 618 A CB 1.386 20.564 19.000 0.297 0.000 1.289 618 A HN 0.641 nan 8.150 nan 0.000 0.404 619 L N 1.230 122.546 121.223 0.155 0.000 2.325 619 L HA 0.694 5.034 4.340 -0.000 0.000 0.278 619 L C -1.141 175.819 176.870 0.150 0.000 1.023 619 L CA -0.902 54.030 54.840 0.153 0.000 0.811 619 L CB 1.795 43.983 42.059 0.214 0.000 1.249 619 L HN 0.631 nan 8.230 nan 0.000 0.431 620 L N 2.891 124.192 121.223 0.131 0.000 2.491 620 L HA 0.398 4.738 4.340 -0.000 0.000 0.267 620 L C -0.335 176.593 176.870 0.097 0.000 0.971 620 L CA -0.056 54.845 54.840 0.102 0.000 0.857 620 L CB 1.828 43.918 42.059 0.051 0.000 1.226 620 L HN 0.609 nan 8.230 nan 0.000 0.408 621 S N 3.612 119.316 115.700 0.007 0.000 2.489 621 S HA 0.795 5.265 4.470 -0.000 0.000 0.291 621 S C -0.751 173.775 174.600 -0.123 0.000 1.151 621 S CA -0.508 57.552 58.200 -0.233 0.000 1.082 621 S CB 1.190 64.067 63.200 -0.539 0.000 1.019 621 S HN 0.560 nan 8.310 nan 0.000 0.492 622 Y N -0.599 119.584 120.300 -0.195 0.000 2.477 622 Y HA 0.738 5.288 4.550 -0.000 0.000 0.347 622 Y C -0.856 174.953 175.900 -0.151 0.000 0.981 622 Y CA -1.366 56.657 58.100 -0.128 0.000 1.033 622 Y CB 0.819 39.248 38.460 -0.051 0.000 1.245 622 Y HN 0.626 nan 8.280 nan 0.000 0.455 623 D N 1.991 122.379 120.400 -0.021 0.000 2.255 623 D HA 0.164 4.804 4.640 -0.000 0.000 0.249 623 D C 0.777 177.101 176.300 0.039 0.000 1.078 623 D CA -0.165 53.763 54.000 -0.120 0.000 0.896 623 D CB 1.456 42.170 40.800 -0.143 0.000 1.194 623 D HN 0.824 nan 8.370 nan 0.000 0.429 624 E N 1.789 121.956 120.200 -0.054 0.000 2.058 624 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 624 E C 1.255 177.779 176.600 -0.126 0.000 0.997 624 E CA 1.348 57.762 56.400 0.024 0.000 0.801 624 E CB 0.283 29.932 29.700 -0.085 0.000 0.746 624 E HN 0.428 nan 8.360 nan 0.000 0.450 625 K N 0.194 120.394 120.400 -0.333 0.000 2.005 625 K HA -0.033 4.287 4.320 -0.000 0.000 0.206 625 K C 1.031 177.581 176.600 -0.085 0.000 1.044 625 K CA 0.710 56.827 56.287 -0.285 0.000 0.942 625 K CB 0.008 32.270 32.500 -0.397 0.000 0.727 625 K HN -0.049 nan 8.250 nan 0.000 0.439 626 E N -0.340 119.801 120.200 -0.098 0.000 2.622 626 E HA 0.152 4.502 4.350 -0.000 0.000 0.255 626 E C 0.638 177.237 176.600 -0.000 0.000 1.313 626 E CA 0.011 56.383 56.400 -0.047 0.000 1.011 626 E CB 0.290 29.948 29.700 -0.069 0.000 1.173 626 E HN 0.247 nan 8.360 nan 0.000 0.601 627 G N -0.344 108.458 108.800 0.003 0.000 2.711 627 G HA2 0.167 4.127 3.960 -0.000 0.000 0.186 627 G HA3 0.167 4.127 3.960 -0.000 0.000 0.186 627 G C -0.475 174.449 174.900 0.041 0.000 1.635 627 G CA -0.514 44.598 45.100 0.019 0.000 1.065 627 G HN 0.310 nan 8.290 nan 0.000 0.545 628 L N 0.778 122.021 121.223 0.034 0.000 2.305 628 L HA 0.265 4.604 4.340 -0.000 0.000 0.281 628 L C 1.199 178.073 176.870 0.007 0.000 1.085 628 L CA -0.672 54.198 54.840 0.049 0.000 0.813 628 L CB 1.376 43.460 42.059 0.041 0.000 1.157 628 L HN 0.481 nan 8.230 nan 0.000 0.436 629 E N 1.881 122.071 120.200 -0.017 0.000 2.013 629 E HA 0.038 4.388 4.350 -0.000 0.000 0.196 629 E C 0.555 177.127 176.600 -0.048 0.000 0.964 629 E CA 0.952 57.312 56.400 -0.067 0.000 0.854 629 E CB 0.111 29.727 29.700 -0.140 0.000 0.816 629 E HN 0.724 nan 8.360 nan 0.000 0.489 630 T N -1.726 112.802 114.554 -0.044 0.000 2.907 630 T HA 0.529 4.879 4.350 -0.000 0.000 0.292 630 T C -0.305 174.438 174.700 0.072 0.000 1.043 630 T CA -0.766 61.343 62.100 0.015 0.000 1.003 630 T CB 2.280 71.173 68.868 0.042 0.000 1.084 630 T HN 0.040 nan 8.240 nan 0.000 0.483 631 T N 0.983 115.591 114.554 0.091 0.000 2.893 631 T HA 0.709 5.059 4.350 -0.000 0.000 0.291 631 T C -1.134 173.654 174.700 0.147 0.000 1.028 631 T CA -0.330 61.839 62.100 0.114 0.000 0.995 631 T CB 1.513 70.421 68.868 0.067 0.000 1.051 631 T HN 0.898 nan 8.240 nan 0.000 0.470 632 T N 3.557 118.218 114.554 0.178 0.000 2.916 632 T HA 0.405 4.755 4.350 -0.000 0.000 0.298 632 T C -1.807 173.070 174.700 0.295 0.000 1.031 632 T CA -0.478 61.748 62.100 0.209 0.000 0.993 632 T CB 1.131 70.030 68.868 0.052 0.000 1.045 632 T HN 0.605 nan 8.240 nan 0.000 0.454 633 Y N 3.354 123.806 120.300 0.252 0.000 2.402 633 Y HA 0.527 5.077 4.550 -0.000 0.000 0.332 633 Y C -0.116 175.909 175.900 0.209 0.000 0.960 633 Y CA -1.194 57.048 58.100 0.236 0.000 1.228 633 Y CB 0.399 39.005 38.460 0.243 0.000 1.120 633 Y HN 0.595 nan 8.280 nan 0.000 0.491 634 I N 7.384 127.853 120.570 -0.167 0.000 2.455 634 I HA -0.064 4.106 4.170 -0.000 0.000 0.303 634 I C 1.457 177.279 176.117 -0.492 0.000 1.180 634 I CA 0.295 61.431 61.300 -0.273 0.000 1.469 634 I CB 0.080 38.003 38.000 -0.129 0.000 1.480 634 I HN 0.793 nan 8.210 nan 0.000 0.669 635 T N 1.646 115.916 114.554 -0.473 0.000 2.607 635 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 635 T C 0.936 175.473 174.700 -0.271 0.000 1.049 635 T CA 1.319 63.188 62.100 -0.385 0.000 1.162 635 T CB -0.133 68.615 68.868 -0.200 0.000 0.863 635 T HN 0.617 nan 8.240 nan 0.000 0.424 636 S N -0.643 114.919 115.700 -0.230 0.000 2.806 636 S HA 0.539 5.009 4.470 -0.000 0.000 0.306 636 S C 0.744 175.245 174.600 -0.165 0.000 1.167 636 S CA -0.432 57.665 58.200 -0.171 0.000 0.847 636 S CB 1.846 64.974 63.200 -0.120 0.000 1.216 636 S HN 0.229 nan 8.310 nan 0.000 0.532 637 Q N 1.480 121.199 119.800 -0.136 0.000 2.029 637 Q HA -0.239 4.101 4.340 -0.000 0.000 0.209 637 Q C 1.931 177.861 176.000 -0.117 0.000 0.999 637 Q CA 2.950 58.678 55.803 -0.126 0.000 0.857 637 Q CB -0.891 27.784 28.738 -0.105 0.000 0.926 637 Q HN 0.906 nan 8.270 nan 0.000 0.415 638 E N -1.052 119.083 120.200 -0.109 0.000 2.114 638 E HA -0.237 4.113 4.350 -0.000 0.000 0.199 638 E C 1.824 178.349 176.600 -0.125 0.000 1.008 638 E CA 1.928 58.266 56.400 -0.104 0.000 0.810 638 E CB -0.594 29.047 29.700 -0.098 0.000 0.739 638 E HN 0.290 nan 8.360 nan 0.000 0.456 639 V N 1.362 121.177 119.914 -0.165 0.000 2.307 639 V HA -0.298 3.822 4.120 -0.000 0.000 0.245 639 V C 2.755 178.758 176.094 -0.152 0.000 1.045 639 V CA 2.212 64.390 62.300 -0.204 0.000 1.024 639 V CB -0.936 30.704 31.823 -0.306 0.000 0.651 639 V HN 0.338 nan 8.190 nan 0.000 0.449 640 Q N 0.327 120.052 119.800 -0.124 0.000 2.135 640 Q HA -0.242 4.098 4.340 -0.000 0.000 0.204 640 Q C 2.145 178.127 176.000 -0.030 0.000 0.981 640 Q CA 1.993 57.760 55.803 -0.059 0.000 0.856 640 Q CB -0.137 28.559 28.738 -0.071 0.000 0.902 640 Q HN 0.694 nan 8.270 nan 0.000 0.425 641 N N 0.286 118.953 118.700 -0.055 0.000 2.142 641 N HA -0.110 4.630 4.740 -0.000 0.000 0.186 641 N C 1.665 177.162 175.510 -0.022 0.000 1.023 641 N CA 1.533 54.564 53.050 -0.033 0.000 0.852 641 N CB -0.215 38.244 38.487 -0.047 0.000 0.998 641 N HN 0.308 nan 8.380 nan 0.000 0.424 642 S N -0.007 115.662 115.700 -0.052 0.000 2.803 642 S HA 0.138 4.608 4.470 -0.000 0.000 0.226 642 S C 1.520 176.094 174.600 -0.042 0.000 0.962 642 S CA 0.203 58.374 58.200 -0.049 0.000 0.968 642 S CB -0.393 62.759 63.200 -0.080 0.000 0.786 642 S HN 0.259 nan 8.310 nan 0.000 0.527 643 I N -0.833 119.722 120.570 -0.024 0.000 4.228 643 I HA 0.182 4.352 4.170 -0.000 0.000 0.298 643 I C 1.619 177.832 176.117 0.159 0.000 1.206 643 I CA 0.135 61.417 61.300 -0.029 0.000 1.322 643 I CB 0.069 37.968 38.000 -0.168 0.000 1.411 643 I HN 0.203 nan 8.210 nan 0.000 0.454 644 L N 0.858 122.192 121.223 0.186 0.000 2.313 644 L HA -0.026 4.314 4.340 -0.000 0.000 0.214 644 L C 2.578 179.540 176.870 0.153 0.000 1.119 644 L CA 1.166 56.151 54.840 0.243 0.000 0.809 644 L CB -0.475 41.692 42.059 0.180 0.000 0.933 644 L HN 0.313 nan 8.230 nan 0.000 0.449 645 S N -0.873 114.884 115.700 0.095 0.000 2.387 645 S HA -0.014 4.456 4.470 -0.000 0.000 0.221 645 S C 1.362 176.000 174.600 0.064 0.000 1.041 645 S CA 0.223 58.459 58.200 0.061 0.000 0.959 645 S CB -0.463 62.755 63.200 0.029 0.000 0.843 645 S HN 0.430 nan 8.310 nan 0.000 0.488 646 S N 2.318 118.059 115.700 0.068 0.000 2.617 646 S HA 0.261 4.731 4.470 -0.000 0.000 0.255 646 S C 0.285 174.933 174.600 0.081 0.000 1.318 646 S CA -0.618 57.620 58.200 0.064 0.000 0.978 646 S CB -0.191 63.047 63.200 0.063 0.000 0.961 646 S HN 0.418 nan 8.310 nan 0.000 0.582 647 N N 0.363 119.093 118.700 0.050 0.000 2.466 647 N HA 0.090 4.830 4.740 -0.000 0.000 0.251 647 N C 0.217 175.716 175.510 -0.019 0.000 1.164 647 N CA -0.008 53.049 53.050 0.011 0.000 0.888 647 N CB -0.390 38.085 38.487 -0.020 0.000 1.177 647 N HN 0.703 nan 8.380 nan 0.000 0.498 648 Y N 0.551 120.776 120.300 -0.124 0.000 2.256 648 Y HA -0.062 4.488 4.550 -0.000 0.000 0.288 648 Y C -0.008 175.612 175.900 -0.467 0.000 1.155 648 Y CA 1.161 59.103 58.100 -0.263 0.000 1.203 648 Y CB -0.014 38.238 38.460 -0.346 0.000 0.980 648 Y HN -0.091 nan 8.280 nan 0.000 0.530 649 F N 0.442 120.161 119.950 -0.386 0.000 2.399 649 F HA 0.349 4.876 4.527 -0.000 0.000 0.328 649 F C -0.080 175.226 175.800 -0.824 0.000 1.084 649 F CA -0.715 56.696 58.000 -0.981 0.000 1.053 649 F CB 1.115 39.452 39.000 -1.105 0.000 1.209 649 F HN -0.176 nan 8.300 nan 0.000 0.502 650 D N 1.587 121.577 120.400 -0.683 0.000 2.934 650 D HA 0.152 4.792 4.640 -0.000 0.000 0.249 650 D C -0.045 176.151 176.300 -0.173 0.000 1.293 650 D CA -0.232 53.562 54.000 -0.343 0.000 0.812 650 D CB -0.309 40.425 40.800 -0.110 0.000 1.439 650 D HN 0.172 nan 8.370 nan 0.000 0.555 651 F N 0.105 120.090 119.950 0.059 0.000 2.451 651 F HA 0.073 4.600 4.527 -0.000 0.000 0.299 651 F C 1.678 177.498 175.800 0.033 0.000 1.101 651 F CA 0.312 58.353 58.000 0.070 0.000 1.436 651 F CB -0.152 38.858 39.000 0.017 0.000 1.074 651 F HN 0.202 nan 8.300 nan 0.000 0.553 652 D N 0.719 121.187 120.400 0.113 0.000 2.663 652 D HA -0.025 4.615 4.640 -0.000 0.000 0.243 652 D C 0.048 176.351 176.300 0.005 0.000 1.218 652 D CA 0.377 54.410 54.000 0.055 0.000 0.846 652 D CB -0.501 40.315 40.800 0.026 0.000 1.014 652 D HN 0.168 nan 8.370 nan 0.000 0.476 653 N N 1.439 120.142 118.700 0.005 0.000 2.594 653 N HA 0.008 4.748 4.740 -0.000 0.000 0.280 653 N C 0.827 176.266 175.510 -0.119 0.000 1.156 653 N CA -0.436 52.576 53.050 -0.064 0.000 0.831 653 N CB 1.039 39.494 38.487 -0.054 0.000 1.379 653 N HN -0.139 nan 8.380 nan 0.000 0.536 654 L N 2.366 123.475 121.223 -0.190 0.000 2.191 654 L HA -0.109 4.231 4.340 -0.000 0.000 0.212 654 L C 1.724 178.388 176.870 -0.344 0.000 1.103 654 L CA 1.284 55.990 54.840 -0.223 0.000 0.769 654 L CB -0.863 41.064 42.059 -0.220 0.000 0.908 654 L HN 0.596 nan 8.230 nan 0.000 0.438 655 H N -0.839 118.070 119.070 -0.268 0.000 2.389 655 H HA 0.079 4.635 4.556 -0.000 0.000 0.299 655 H C 0.563 175.583 175.328 -0.513 0.000 1.081 655 H CA 0.340 56.183 56.048 -0.342 0.000 1.345 655 H CB 0.005 29.612 29.762 -0.258 0.000 1.393 655 H HN 0.038 nan 8.280 nan 0.000 0.520 656 V N 2.457 122.136 119.914 -0.393 0.000 2.481 656 V HA 0.175 4.295 4.120 -0.000 0.000 0.286 656 V C 0.125 175.772 176.094 -0.746 0.000 1.042 656 V CA -0.577 61.383 62.300 -0.566 0.000 0.928 656 V CB 1.876 33.435 31.823 -0.440 0.000 0.986 656 V HN 0.339 nan 8.190 nan 0.000 0.462 657 H N 2.747 121.388 119.070 -0.716 0.000 2.679 657 H HA 0.547 5.103 4.556 -0.000 0.000 0.367 657 H C -1.546 173.381 175.328 -0.668 0.000 1.162 657 H CA -0.592 55.110 56.048 -0.576 0.000 1.181 657 H CB 1.921 31.212 29.762 -0.785 0.000 1.693 657 H HN 0.569 nan 8.280 nan 0.000 0.538 658 Y N 1.364 121.723 120.300 0.099 0.000 2.326 658 Y HA 0.272 4.822 4.550 -0.000 0.000 0.331 658 Y C -0.455 175.544 175.900 0.165 0.000 0.962 658 Y CA -0.741 57.455 58.100 0.159 0.000 1.167 658 Y CB 1.230 39.926 38.460 0.393 0.000 1.148 658 Y HN 0.245 nan 8.280 nan 0.000 0.463 659 L N 3.928 125.290 121.223 0.231 0.000 2.334 659 L HA 0.570 4.910 4.340 -0.000 0.000 0.272 659 L C -1.027 175.883 176.870 0.068 0.000 1.020 659 L CA -0.874 54.042 54.840 0.126 0.000 0.812 659 L CB 1.626 43.734 42.059 0.082 0.000 1.264 659 L HN 0.522 nan 8.230 nan 0.000 0.439 660 L N 3.093 124.292 121.223 -0.040 0.000 2.372 660 L HA 0.548 4.888 4.340 -0.000 0.000 0.274 660 L C -1.362 175.366 176.870 -0.237 0.000 0.988 660 L CA -0.150 54.629 54.840 -0.103 0.000 0.833 660 L CB 1.180 43.163 42.059 -0.127 0.000 1.236 660 L HN 0.359 nan 8.230 nan 0.000 0.410 661 L N 4.798 125.836 121.223 -0.307 0.000 2.264 661 L HA 0.579 4.919 4.340 -0.000 0.000 0.289 661 L C 0.676 177.379 176.870 -0.278 0.000 1.044 661 L CA -0.516 53.982 54.840 -0.569 0.000 0.807 661 L CB 1.385 42.737 42.059 -1.178 0.000 1.192 661 L HN 0.714 nan 8.230 nan 0.000 0.425 662 T N -2.492 111.885 114.554 -0.295 0.000 2.884 662 T HA 0.184 4.534 4.350 -0.000 0.000 0.277 662 T C 1.333 176.049 174.700 0.028 0.000 0.976 662 T CA 0.006 61.682 62.100 -0.707 0.000 0.956 662 T CB 1.294 69.548 68.868 -1.024 0.000 1.113 662 T HN 0.687 nan 8.240 nan 0.000 0.554 663 T N -0.902 113.750 114.554 0.163 0.000 2.929 663 T HA -0.020 4.329 4.350 -0.000 0.000 0.271 663 T C 0.689 175.503 174.700 0.191 0.000 1.085 663 T CA 0.342 62.639 62.100 0.329 0.000 1.125 663 T CB -0.660 68.457 68.868 0.415 0.000 0.874 663 T HN 0.601 nan 8.240 nan 0.000 0.494 664 N N 1.334 120.112 118.700 0.129 0.000 2.495 664 N HA 0.407 5.147 4.740 -0.000 0.000 0.280 664 N C 0.962 176.559 175.510 0.145 0.000 1.168 664 N CA -0.243 52.872 53.050 0.107 0.000 0.978 664 N CB 0.902 39.446 38.487 0.095 0.000 1.191 664 N HN 0.291 nan 8.380 nan 0.000 0.497 665 G N -0.218 108.638 108.800 0.093 0.000 3.229 665 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.214 665 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.214 665 G C 0.436 175.556 174.900 0.367 0.000 1.256 665 G CA 0.198 45.367 45.100 0.115 0.000 1.042 665 G HN 0.642 nan 8.290 nan 0.000 0.497 666 T N -2.512 112.235 114.554 0.322 0.000 2.907 666 T HA 0.658 5.008 4.350 -0.000 0.000 0.284 666 T C -0.531 174.207 174.700 0.063 0.000 1.004 666 T CA -0.783 61.483 62.100 0.276 0.000 1.063 666 T CB 2.580 71.537 68.868 0.149 0.000 0.992 666 T HN -0.047 nan 8.240 nan 0.000 0.483 667 V N 3.985 123.720 119.914 -0.298 0.000 2.876 667 V HA 0.754 4.874 4.120 -0.000 0.000 0.312 667 V C -0.212 175.662 176.094 -0.366 0.000 1.085 667 V CA -1.037 60.949 62.300 -0.524 0.000 0.945 667 V CB 1.779 33.016 31.823 -0.977 0.000 1.017 667 V HN 1.161 nan 8.190 nan 0.000 0.428 668 M N 1.270 120.744 119.600 -0.210 0.000 2.520 668 M HA 0.692 5.172 4.480 -0.000 0.000 0.280 668 M C -1.073 175.209 176.300 -0.030 0.000 1.232 668 M CA -0.627 54.619 55.300 -0.089 0.000 0.892 668 M CB 2.495 35.084 32.600 -0.017 0.000 1.728 668 M HN 0.612 nan 8.290 nan 0.000 0.475 669 E N 1.799 122.000 120.200 0.001 0.000 2.242 669 E HA 0.719 5.069 4.350 -0.000 0.000 0.275 669 E C -1.630 175.003 176.600 0.055 0.000 1.002 669 E CA -0.668 55.766 56.400 0.055 0.000 0.841 669 E CB 1.604 31.323 29.700 0.032 0.000 1.109 669 E HN 0.694 nan 8.360 nan 0.000 0.394 670 I N 1.688 122.336 120.570 0.130 0.000 2.693 670 I HA 0.613 4.783 4.170 -0.000 0.000 0.303 670 I C -0.717 175.321 176.117 -0.130 0.000 1.025 670 I CA -0.831 60.480 61.300 0.019 0.000 1.086 670 I CB 2.052 40.101 38.000 0.081 0.000 1.268 670 I HN 0.617 nan 8.210 nan 0.000 0.440 671 A N 4.003 126.447 122.820 -0.627 0.000 2.333 671 A HA 0.646 4.966 4.320 -0.000 0.000 0.298 671 A C -0.407 176.451 177.584 -1.209 0.000 1.239 671 A CA 0.155 51.440 52.037 -1.254 0.000 0.896 671 A CB 0.123 18.878 19.000 -0.407 0.000 1.421 671 A HN 1.213 nan 8.150 nan 0.000 0.433 672 G N 0.000 107.775 108.800 -1.708 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 44.721 45.100 -0.632 0.000 0.502 672 G HN 0.000 nan 8.290 nan 0.000 0.925