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_I 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 0.000 176.747 176.870 -0.206 0.000 1.165 20 L CA 0.000 54.854 54.840 0.024 0.000 0.813 20 L CB 0.000 42.081 42.059 0.038 0.000 0.961 21 S N 3.671 119.008 115.700 -0.606 0.000 3.542 21 S HA 0.093 4.563 4.470 -0.000 0.000 0.793 21 S C -0.821 173.252 174.600 -0.878 0.000 0.495 21 S CA 0.364 57.816 58.200 -1.247 0.000 1.474 21 S CB -0.507 62.304 63.200 -0.648 0.000 0.927 21 S HN 0.777 nan 8.310 nan 0.000 1.064 22 E N 0.100 119.657 120.200 -1.071 0.000 2.861 22 E HA 0.357 4.707 4.350 -0.000 0.000 0.298 22 E C -1.479 175.080 176.600 -0.068 0.000 1.179 22 E CA -0.308 55.828 56.400 -0.439 0.000 0.927 22 E CB 1.151 30.717 29.700 -0.223 0.000 1.123 22 E HN 0.673 nan 8.360 nan 0.000 0.462 23 V N 2.788 122.694 119.914 -0.013 0.000 2.950 23 V HA 0.528 4.648 4.120 -0.000 0.000 0.295 23 V C -0.887 175.208 176.094 0.002 0.000 1.297 23 V CA -0.721 61.631 62.300 0.086 0.000 0.962 23 V CB 2.386 34.353 31.823 0.239 0.000 1.081 23 V HN 0.584 nan 8.190 nan 0.000 0.432 24 K N 4.717 125.081 120.400 -0.060 0.000 2.984 24 K HA 0.489 4.809 4.320 -0.000 0.000 0.211 24 K C -1.133 175.202 176.600 -0.441 0.000 1.174 24 K CA -0.569 55.621 56.287 -0.161 0.000 0.978 24 K CB 0.746 33.192 32.500 -0.091 0.000 1.212 24 K HN 0.578 nan 8.250 nan 0.000 0.589 25 L N 0.076 121.111 121.223 -0.313 0.000 2.395 25 L HA 0.554 4.894 4.340 -0.000 0.000 0.269 25 L C -0.801 175.788 176.870 -0.469 0.000 1.133 25 L CA -0.069 54.565 54.840 -0.344 0.000 0.812 25 L CB 0.409 42.421 42.059 -0.079 0.000 1.125 25 L HN 0.319 nan 8.230 nan 0.000 0.452 26 H N 2.470 121.503 119.070 -0.061 0.000 2.505 26 H HA 0.668 5.224 4.556 -0.000 0.000 0.338 26 H C -0.323 174.984 175.328 -0.034 0.000 1.057 26 H CA -0.731 55.215 56.048 -0.171 0.000 1.202 26 H CB 1.231 30.753 29.762 -0.401 0.000 1.466 26 H HN 0.563 nan 8.280 nan 0.000 0.499 27 L N 1.224 122.537 121.223 0.149 0.000 2.567 27 L HA 0.340 4.680 4.340 -0.000 0.000 0.238 27 L C -0.010 176.939 176.870 0.132 0.000 1.168 27 L CA -0.276 54.656 54.840 0.153 0.000 0.817 27 L CB 0.569 42.760 42.059 0.220 0.000 1.409 27 L HN 0.672 nan 8.230 nan 0.000 0.502 28 D N 0.217 120.688 120.400 0.118 0.000 2.668 28 D HA 0.257 4.897 4.640 -0.000 0.000 0.247 28 D C -0.264 176.097 176.300 0.101 0.000 1.268 28 D CA -0.368 53.695 54.000 0.105 0.000 0.842 28 D CB 0.394 41.239 40.800 0.074 0.000 1.399 28 D HN 0.370 nan 8.370 nan 0.000 0.530 29 I N -1.569 119.076 120.570 0.125 0.000 3.381 29 I HA 0.292 4.462 4.170 -0.000 0.000 0.275 29 I C 0.661 176.843 176.117 0.108 0.000 1.252 29 I CA -0.535 60.831 61.300 0.110 0.000 1.292 29 I CB 0.649 38.718 38.000 0.116 0.000 1.396 29 I HN 0.013 nan 8.210 nan 0.000 0.637 30 E N 2.165 122.421 120.200 0.094 0.000 2.562 30 E HA 0.227 4.577 4.350 -0.000 0.000 0.241 30 E C 0.730 177.414 176.600 0.140 0.000 1.136 30 E CA 1.424 57.878 56.400 0.091 0.000 0.952 30 E CB -0.601 29.142 29.700 0.072 0.000 0.975 30 E HN 0.888 nan 8.360 nan 0.000 0.494 31 G N 4.137 112.995 108.800 0.097 0.000 2.812 31 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.219 31 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.219 31 G C -0.098 174.796 174.900 -0.009 0.000 1.275 31 G CA 0.275 45.406 45.100 0.052 0.000 0.769 31 G HN 0.641 nan 8.290 nan 0.000 0.527 32 H N 1.359 120.450 119.070 0.035 0.000 2.481 32 H HA 0.705 5.261 4.556 -0.000 0.000 0.339 32 H C 0.629 175.995 175.328 0.063 0.000 1.131 32 H CA 0.376 56.448 56.048 0.039 0.000 1.301 32 H CB 1.551 31.332 29.762 0.033 0.000 1.476 32 H HN 0.703 nan 8.280 nan 0.000 0.529 33 A N 2.616 125.539 122.820 0.171 0.000 2.269 33 A HA 0.437 4.757 4.320 -0.000 0.000 0.302 33 A C -0.153 177.591 177.584 0.266 0.000 1.266 33 A CA -0.571 51.584 52.037 0.196 0.000 0.894 33 A CB 0.139 19.265 19.000 0.209 0.000 1.147 33 A HN 0.649 nan 8.150 nan 0.000 0.537 34 S N 1.261 117.101 115.700 0.234 0.000 2.585 34 S HA 0.529 4.999 4.470 -0.000 0.000 0.277 34 S C -0.770 173.935 174.600 0.175 0.000 1.241 34 S CA -0.272 58.020 58.200 0.152 0.000 1.041 34 S CB 0.468 63.758 63.200 0.150 0.000 0.987 34 S HN 0.715 nan 8.310 nan 0.000 0.512 35 H N 1.203 120.094 119.070 -0.299 0.000 2.860 35 H HA 0.439 4.995 4.556 -0.000 0.000 0.312 35 H C -1.495 173.597 175.328 -0.394 0.000 0.995 35 H CA -0.304 55.644 56.048 -0.168 0.000 1.311 35 H CB 0.322 30.072 29.762 -0.019 0.000 1.478 35 H HN 0.488 nan 8.280 nan 0.000 0.508 36 Y N 0.932 121.264 120.300 0.054 0.000 2.376 36 Y HA 0.428 4.978 4.550 -0.000 0.000 0.340 36 Y C 0.260 176.142 175.900 -0.031 0.000 0.965 36 Y CA -1.039 57.073 58.100 0.021 0.000 1.078 36 Y CB 1.970 40.436 38.460 0.009 0.000 1.193 36 Y HN 0.499 nan 8.280 nan 0.000 0.452 37 T N 1.339 115.974 114.554 0.136 0.000 2.772 37 T HA 0.658 5.008 4.350 -0.000 0.000 0.288 37 T C -0.613 174.128 174.700 0.069 0.000 0.994 37 T CA -0.591 61.544 62.100 0.059 0.000 0.951 37 T CB 0.158 69.047 68.868 0.036 0.000 0.933 37 T HN 0.504 nan 8.240 nan 0.000 0.447 38 I N 5.286 125.895 120.570 0.066 0.000 2.310 38 I HA 0.296 4.465 4.170 -0.000 0.000 0.287 38 I C -2.426 173.744 176.117 0.088 0.000 1.073 38 I CA -2.535 58.821 61.300 0.093 0.000 1.216 38 I CB 1.380 39.455 38.000 0.124 0.000 1.415 38 I HN 0.376 nan 8.210 nan 0.000 0.480 39 P HA 0.045 nan 4.420 nan 0.000 0.256 39 P C 0.659 177.908 177.300 -0.085 0.000 1.689 39 P CA -0.422 62.598 63.100 -0.132 0.000 1.124 39 P CB -0.073 31.561 31.700 -0.111 0.000 1.766 40 W N 1.640 122.918 121.300 -0.036 0.000 2.721 40 W HA -0.062 4.598 4.660 -0.000 0.000 0.245 40 W C 0.998 177.502 176.519 -0.025 0.000 1.276 40 W CA 0.715 58.041 57.345 -0.032 0.000 1.342 40 W CB -2.048 27.386 29.460 -0.043 0.000 1.135 40 W HN 0.177 nan 8.180 nan 0.000 0.654 41 T N 1.098 115.466 114.554 -0.311 0.000 2.777 41 T HA -0.261 4.089 4.350 -0.000 0.000 0.266 41 T C 1.759 176.406 174.700 -0.087 0.000 1.040 41 T CA 2.197 64.141 62.100 -0.261 0.000 1.141 41 T CB -0.187 68.450 68.868 -0.386 0.000 0.868 41 T HN 0.305 nan 8.240 nan 0.000 0.444 42 E N -0.259 119.896 120.200 -0.074 0.000 2.158 42 E HA -0.019 4.331 4.350 -0.000 0.000 0.191 42 E C 2.349 178.956 176.600 0.012 0.000 0.982 42 E CA 0.504 56.886 56.400 -0.029 0.000 0.823 42 E CB -0.179 29.502 29.700 -0.031 0.000 0.766 42 E HN 0.536 nan 8.360 nan 0.000 0.468 43 L N 0.405 121.652 121.223 0.041 0.000 2.046 43 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 43 L C 2.756 179.668 176.870 0.071 0.000 1.077 43 L CA 1.138 56.018 54.840 0.066 0.000 0.747 43 L CB -0.333 41.788 42.059 0.103 0.000 0.896 43 L HN 0.285 nan 8.230 nan 0.000 0.432 44 M N -0.859 118.799 119.600 0.096 0.000 2.267 44 M HA -0.213 4.267 4.480 -0.000 0.000 0.263 44 M C 2.347 178.681 176.300 0.058 0.000 1.063 44 M CA 1.667 57.022 55.300 0.092 0.000 1.090 44 M CB -0.499 32.177 32.600 0.127 0.000 1.392 44 M HN 0.349 nan 8.290 nan 0.000 0.422 45 A N 0.343 123.187 122.820 0.040 0.000 1.874 45 A HA -0.091 4.229 4.320 -0.000 0.000 0.214 45 A C 2.068 179.668 177.584 0.027 0.000 1.189 45 A CA 1.237 53.290 52.037 0.028 0.000 0.615 45 A CB -0.311 18.698 19.000 0.014 0.000 0.830 45 A HN 0.366 nan 8.150 nan 0.000 0.443 46 K N -0.722 119.694 120.400 0.027 0.000 2.486 46 K HA 0.152 4.472 4.320 -0.000 0.000 0.194 46 K C -0.604 176.014 176.600 0.030 0.000 1.033 46 K CA 0.214 56.516 56.287 0.025 0.000 1.004 46 K CB 0.149 32.663 32.500 0.022 0.000 0.798 46 K HN 0.322 nan 8.250 nan 0.000 0.495 47 V N 1.568 121.504 119.914 0.037 0.000 2.680 47 V HA 0.145 4.265 4.120 -0.000 0.000 0.309 47 V C -1.677 174.442 176.094 0.041 0.000 1.052 47 V CA -1.420 60.904 62.300 0.038 0.000 0.908 47 V CB 1.781 33.628 31.823 0.041 0.000 1.001 47 V HN -0.016 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 1.202 64.326 63.100 0.039 0.000 0.898 48 P CB 0.413 32.139 31.700 0.042 0.000 0.758 49 G N 0.248 109.069 108.800 0.035 0.000 2.776 49 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.209 49 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.209 49 G C 0.744 175.661 174.900 0.028 0.000 1.145 49 G CA -0.257 44.861 45.100 0.029 0.000 0.791 49 G HN 0.225 nan 8.290 nan 0.000 0.530 50 L N 2.820 124.061 121.223 0.031 0.000 2.454 50 L HA 0.269 4.609 4.340 -0.000 0.000 0.284 50 L C 0.080 176.967 176.870 0.030 0.000 1.139 50 L CA -0.439 54.417 54.840 0.026 0.000 0.911 50 L CB 0.497 42.577 42.059 0.035 0.000 1.262 50 L HN 0.130 nan 8.230 nan 0.000 0.453 51 S N 4.262 119.970 115.700 0.013 0.000 2.328 51 S HA 0.342 4.812 4.470 -0.000 0.000 0.204 51 S C -1.440 173.143 174.600 -0.030 0.000 1.475 51 S CA -1.194 57.013 58.200 0.011 0.000 1.148 51 S CB 0.830 64.043 63.200 0.021 0.000 1.077 51 S HN 0.492 nan 8.310 nan 0.000 0.479 52 P HA -0.216 nan 4.420 nan 0.000 0.216 52 P C 1.289 178.482 177.300 -0.178 0.000 1.154 52 P CA 1.330 64.308 63.100 -0.203 0.000 0.865 52 P CB 0.231 31.666 31.700 -0.441 0.000 0.789 53 E N -0.020 120.081 120.200 -0.166 0.000 2.097 53 E HA -0.177 4.173 4.350 -0.000 0.000 0.196 53 E C 2.186 178.811 176.600 0.041 0.000 1.000 53 E CA 1.683 58.037 56.400 -0.077 0.000 0.804 53 E CB -0.832 28.847 29.700 -0.035 0.000 0.740 53 E HN 0.256 nan 8.360 nan 0.000 0.454 54 A N 0.812 123.653 122.820 0.036 0.000 1.855 54 A HA -0.106 4.214 4.320 -0.000 0.000 0.215 54 A C 2.462 180.103 177.584 0.094 0.000 1.191 54 A CA 1.113 53.189 52.037 0.065 0.000 0.613 54 A CB -0.798 18.234 19.000 0.054 0.000 0.829 54 A HN 0.214 nan 8.150 nan 0.000 0.442 55 L N -1.418 119.847 121.223 0.071 0.000 2.079 55 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 55 L C 2.628 179.583 176.870 0.142 0.000 1.081 55 L CA 1.568 56.454 54.840 0.077 0.000 0.752 55 L CB -0.518 41.485 42.059 -0.093 0.000 0.896 55 L HN 0.800 nan 8.230 nan 0.000 0.433 56 W N 1.307 122.569 121.300 -0.064 0.000 2.374 56 W HA -0.235 4.425 4.660 -0.000 0.000 0.288 56 W C 2.521 179.044 176.519 0.005 0.000 1.218 56 W CA 1.421 58.733 57.345 -0.056 0.000 1.245 56 W CB 0.008 29.382 29.460 -0.143 0.000 1.126 56 W HN 0.110 nan 8.180 nan 0.000 0.545 57 R N 1.000 121.543 120.500 0.071 0.000 2.127 57 R HA -0.053 4.287 4.340 -0.000 0.000 0.217 57 R C 2.138 178.429 176.300 -0.015 0.000 1.074 57 R CA 1.701 57.798 56.100 -0.005 0.000 0.991 57 R CB -0.807 29.538 30.300 0.075 0.000 0.895 57 R HN 0.140 nan 8.270 nan 0.000 0.450 58 E N 0.314 120.552 120.200 0.063 0.000 2.070 58 E HA -0.131 4.219 4.350 -0.000 0.000 0.197 58 E C 0.021 176.631 176.600 0.017 0.000 1.004 58 E CA 1.245 57.697 56.400 0.085 0.000 0.805 58 E CB -0.211 29.621 29.700 0.219 0.000 0.744 58 E HN 0.334 nan 8.360 nan 0.000 0.451 59 A N 2.274 125.112 122.820 0.029 0.000 2.415 59 A HA 0.079 4.399 4.320 -0.000 0.000 0.309 59 A C -0.082 177.377 177.584 -0.208 0.000 1.356 59 A CA -0.373 51.618 52.037 -0.077 0.000 0.998 59 A CB -0.025 18.994 19.000 0.033 0.000 1.145 59 A HN 0.047 nan 8.150 nan 0.000 0.545 60 N N 2.762 121.368 118.700 -0.158 0.000 2.349 60 N HA -0.029 4.711 4.740 -0.000 0.000 0.296 60 N C 1.439 176.813 175.510 -0.227 0.000 1.304 60 N CA 0.179 53.129 53.050 -0.166 0.000 1.051 60 N CB 0.467 38.891 38.487 -0.105 0.000 1.466 60 N HN 0.502 nan 8.380 nan 0.000 0.487 61 V N 0.954 120.651 119.914 -0.363 0.000 2.720 61 V HA -0.177 3.943 4.120 -0.000 0.000 0.256 61 V C 2.015 177.991 176.094 -0.196 0.000 1.082 61 V CA 2.017 64.072 62.300 -0.408 0.000 1.101 61 V CB -1.080 30.306 31.823 -0.728 0.000 0.693 61 V HN 0.669 nan 8.190 nan 0.000 0.479 62 T N -2.303 112.168 114.554 -0.138 0.000 3.069 62 T HA 0.137 4.487 4.350 -0.000 0.000 0.252 62 T C 0.657 175.317 174.700 -0.068 0.000 1.053 62 T CA -0.161 61.896 62.100 -0.070 0.000 0.964 62 T CB -0.328 68.519 68.868 -0.036 0.000 1.005 62 T HN 0.577 nan 8.240 nan 0.000 0.532 63 E N 3.990 124.136 120.200 -0.090 0.000 2.406 63 E HA -0.024 4.326 4.350 -0.000 0.000 0.247 63 E C -0.016 176.540 176.600 -0.074 0.000 1.160 63 E CA -0.425 55.927 56.400 -0.081 0.000 0.950 63 E CB 0.125 29.766 29.700 -0.099 0.000 0.993 63 E HN 0.560 nan 8.360 nan 0.000 0.472 64 D N 4.496 124.861 120.400 -0.057 0.000 2.488 64 D HA -0.143 4.497 4.640 -0.000 0.000 0.238 64 D C 1.444 177.706 176.300 -0.063 0.000 1.138 64 D CA -0.085 53.884 54.000 -0.052 0.000 0.873 64 D CB 1.012 41.788 40.800 -0.039 0.000 1.183 64 D HN 0.476 nan 8.370 nan 0.000 0.458 65 L N 2.536 123.721 121.223 -0.064 0.000 2.017 65 L HA -0.402 3.938 4.340 -0.000 0.000 0.234 65 L C 2.837 179.662 176.870 -0.076 0.000 1.097 65 L CA 2.608 57.403 54.840 -0.075 0.000 0.816 65 L CB -1.078 40.941 42.059 -0.066 0.000 0.914 65 L HN 0.706 nan 8.230 nan 0.000 0.444 66 A N -0.414 122.370 122.820 -0.060 0.000 1.909 66 A HA -0.309 4.011 4.320 -0.000 0.000 0.221 66 A C 2.338 179.886 177.584 -0.059 0.000 1.223 66 A CA 2.810 54.815 52.037 -0.053 0.000 0.658 66 A CB -1.015 17.961 19.000 -0.041 0.000 0.831 66 A HN 0.569 nan 8.150 nan 0.000 0.462 67 S N -0.857 114.806 115.700 -0.061 0.000 2.442 67 S HA -0.134 4.336 4.470 -0.000 0.000 0.236 67 S C 1.833 176.376 174.600 -0.095 0.000 1.007 67 S CA 1.487 59.646 58.200 -0.069 0.000 0.965 67 S CB -0.377 62.786 63.200 -0.061 0.000 0.773 67 S HN 0.714 nan 8.310 nan 0.000 0.504 68 M N 0.846 120.384 119.600 -0.104 0.000 2.236 68 M HA 0.010 4.490 4.480 -0.000 0.000 0.266 68 M C 1.388 177.609 176.300 -0.132 0.000 1.070 68 M CA 1.261 56.480 55.300 -0.135 0.000 1.137 68 M CB -0.193 32.319 32.600 -0.147 0.000 1.378 68 M HN 0.195 nan 8.290 nan 0.000 0.426 69 L N 1.360 122.528 121.223 -0.093 0.000 2.083 69 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 69 L C 2.049 178.922 176.870 0.005 0.000 1.083 69 L CA 1.422 56.246 54.840 -0.026 0.000 0.752 69 L CB -1.316 40.732 42.059 -0.017 0.000 0.899 69 L HN 0.401 nan 8.230 nan 0.000 0.433 70 N N -0.079 118.595 118.700 -0.043 0.000 2.513 70 N HA -0.166 4.574 4.740 -0.000 0.000 0.187 70 N C 1.728 177.185 175.510 -0.089 0.000 1.056 70 N CA 0.860 53.879 53.050 -0.050 0.000 0.907 70 N CB 0.016 38.464 38.487 -0.065 0.000 0.954 70 N HN 0.509 nan 8.380 nan 0.000 0.445 71 R N -0.275 120.150 120.500 -0.125 0.000 2.062 71 R HA -0.027 4.313 4.340 -0.000 0.000 0.218 71 R C 2.091 178.390 176.300 -0.002 0.000 1.161 71 R CA 0.495 56.488 56.100 -0.179 0.000 0.994 71 R CB -0.675 29.477 30.300 -0.247 0.000 0.888 71 R HN 0.227 nan 8.270 nan 0.000 0.442 72 Y N 3.539 123.724 120.300 -0.192 0.000 2.274 72 Y HA -0.144 4.406 4.550 -0.000 0.000 0.290 72 Y C 1.551 177.455 175.900 0.007 0.000 1.145 72 Y CA 1.441 59.414 58.100 -0.213 0.000 1.203 72 Y CB 0.016 38.199 38.460 -0.462 0.000 0.984 72 Y HN -0.072 nan 8.280 nan 0.000 0.533 73 K N -0.122 120.198 120.400 -0.133 0.000 2.469 73 K HA 0.130 4.450 4.320 -0.000 0.000 0.201 73 K C 1.103 177.742 176.600 0.064 0.000 1.028 73 K CA 0.340 56.559 56.287 -0.113 0.000 1.170 73 K CB 0.003 32.525 32.500 0.037 0.000 0.874 73 K HN 0.494 nan 8.250 nan 0.000 0.507 74 L N 0.607 121.861 121.223 0.052 0.000 2.642 74 L HA 0.289 4.629 4.340 -0.000 0.000 0.233 74 L C -0.123 176.800 176.870 0.088 0.000 1.077 74 L CA -0.155 54.761 54.840 0.126 0.000 0.879 74 L CB 0.570 42.664 42.059 0.059 0.000 1.151 74 L HN 0.159 nan 8.230 nan 0.000 0.495 75 I N -0.053 120.493 120.570 -0.040 0.000 2.577 75 I HA 0.069 4.239 4.170 -0.000 0.000 0.300 75 I C 0.128 175.828 176.117 -0.695 0.000 0.990 75 I CA -0.462 60.715 61.300 -0.205 0.000 1.283 75 I CB 0.431 38.384 38.000 -0.078 0.000 1.411 75 I HN -0.073 nan 8.210 nan 0.000 0.515 76 Y N 5.757 125.528 120.300 -0.882 0.000 2.480 76 Y HA 0.128 4.678 4.550 -0.000 0.000 0.338 76 Y C -0.013 175.488 175.900 -0.665 0.000 1.220 76 Y CA 0.213 57.594 58.100 -1.199 0.000 1.430 76 Y CB 0.461 38.494 38.460 -0.711 0.000 1.311 76 Y HN 0.344 nan 8.280 nan 0.000 0.575 77 K N 3.802 123.466 120.400 -1.227 0.000 2.426 77 K HA 0.191 4.511 4.320 -0.000 0.000 0.254 77 K C -0.728 175.309 176.600 -0.939 0.000 0.936 77 K CA -0.639 55.214 56.287 -0.724 0.000 0.801 77 K CB 1.221 33.540 32.500 -0.302 0.000 1.139 77 K HN 0.765 nan 8.250 nan 0.000 0.424 78 T N -0.152 114.079 114.554 -0.539 0.000 2.761 78 T HA 0.058 4.408 4.350 -0.000 0.000 0.287 78 T C 1.254 175.823 174.700 -0.219 0.000 0.931 78 T CA -0.054 61.846 62.100 -0.333 0.000 1.164 78 T CB 0.314 69.105 68.868 -0.127 0.000 0.876 78 T HN 0.366 nan 8.240 nan 0.000 0.534 79 S N 3.536 119.126 115.700 -0.184 0.000 2.492 79 S HA -0.005 4.465 4.470 -0.000 0.000 0.234 79 S C 1.377 175.947 174.600 -0.050 0.000 1.050 79 S CA 1.434 59.583 58.200 -0.085 0.000 1.203 79 S CB -0.856 62.334 63.200 -0.018 0.000 1.161 79 S HN 1.120 nan 8.310 nan 0.000 0.417 80 G N 1.191 109.978 108.800 -0.022 0.000 2.547 80 G HA2 0.444 4.404 3.960 -0.000 0.000 0.327 80 G HA3 0.444 4.404 3.960 -0.000 0.000 0.327 80 G C -0.544 174.348 174.900 -0.014 0.000 1.118 80 G CA -0.485 44.608 45.100 -0.011 0.000 1.022 80 G HN 0.277 nan 8.290 nan 0.000 0.464 81 T N 4.137 118.679 114.554 -0.020 0.000 3.826 81 T HA 0.097 4.447 4.350 -0.000 0.000 0.239 81 T C 0.924 175.613 174.700 -0.018 0.000 1.007 81 T CA -0.034 62.052 62.100 -0.024 0.000 1.171 81 T CB -0.989 67.870 68.868 -0.016 0.000 1.153 81 T HN 0.525 nan 8.240 nan 0.000 0.854 82 L N 0.675 121.887 121.223 -0.018 0.000 2.456 82 L HA 0.702 5.042 4.340 -0.000 0.000 0.272 82 L C 0.506 177.369 176.870 -0.012 0.000 1.189 82 L CA -0.289 54.548 54.840 -0.004 0.000 0.846 82 L CB 0.219 42.283 42.059 0.009 0.000 1.111 82 L HN 0.252 nan 8.230 nan 0.000 0.475 83 G N 3.757 112.567 108.800 0.018 0.000 2.432 83 G HA2 0.742 4.702 3.960 -0.000 0.000 0.331 83 G HA3 0.742 4.702 3.960 -0.000 0.000 0.331 83 G C -0.871 174.078 174.900 0.082 0.000 1.170 83 G CA -0.805 44.321 45.100 0.042 0.000 0.943 83 G HN 0.725 nan 8.290 nan 0.000 0.483 84 I N 1.580 122.235 120.570 0.141 0.000 2.517 84 I HA 0.307 4.477 4.170 -0.000 0.000 0.280 84 I C 0.643 176.859 176.117 0.165 0.000 1.061 84 I CA -0.844 60.551 61.300 0.157 0.000 1.091 84 I CB 1.848 39.974 38.000 0.210 0.000 1.205 84 I HN 0.602 nan 8.210 nan 0.000 0.459 85 A N 8.225 131.114 122.820 0.115 0.000 2.532 85 A HA 0.344 4.664 4.320 -0.000 0.000 0.269 85 A C -0.263 177.382 177.584 0.102 0.000 1.079 85 A CA 0.827 52.924 52.037 0.101 0.000 0.800 85 A CB -0.298 18.745 19.000 0.072 0.000 1.000 85 A HN 0.697 nan 8.150 nan 0.000 0.522 86 L N 1.262 122.557 121.223 0.119 0.000 2.359 86 L HA 0.861 5.201 4.340 -0.000 0.000 0.256 86 L C 0.166 177.094 176.870 0.097 0.000 1.026 86 L CA -0.809 54.089 54.840 0.097 0.000 0.828 86 L CB 2.349 44.463 42.059 0.092 0.000 1.406 86 L HN 0.695 nan 8.230 nan 0.000 0.413 87 A N 0.313 123.177 122.820 0.074 0.000 2.449 87 A HA 0.530 4.850 4.320 -0.000 0.000 0.302 87 A C -0.987 176.642 177.584 0.074 0.000 1.048 87 A CA -0.551 51.533 52.037 0.078 0.000 0.708 87 A CB 1.614 20.646 19.000 0.054 0.000 1.274 87 A HN 0.695 nan 8.150 nan 0.000 0.410 88 E N 1.448 121.711 120.200 0.105 0.000 2.384 88 E HA 0.296 4.646 4.350 -0.000 0.000 0.266 88 E C -2.004 174.627 176.600 0.051 0.000 1.012 88 E CA -1.030 55.431 56.400 0.101 0.000 0.901 88 E CB 0.443 30.236 29.700 0.156 0.000 0.967 88 E HN 0.393 nan 8.360 nan 0.000 0.435 89 P HA 0.064 nan 4.420 nan 0.000 0.279 89 P C -1.027 176.283 177.300 0.018 0.000 1.252 89 P CA -0.526 62.591 63.100 0.027 0.000 0.811 89 P CB 0.720 32.438 31.700 0.030 0.000 1.035 90 V N 2.492 122.411 119.914 0.007 0.000 2.372 90 V HA 0.075 4.195 4.120 -0.000 0.000 0.261 90 V C 0.256 176.322 176.094 -0.046 0.000 1.055 90 V CA 0.392 62.674 62.300 -0.029 0.000 0.930 90 V CB -0.199 31.607 31.823 -0.029 0.000 1.031 90 V HN 0.445 nan 8.190 nan 0.000 0.479 91 D N 5.096 125.417 120.400 -0.131 0.000 2.296 91 D HA 0.177 4.817 4.640 -0.000 0.000 0.248 91 D C 0.654 176.459 176.300 -0.825 0.000 1.162 91 D CA 0.886 54.713 54.000 -0.288 0.000 0.956 91 D CB 0.148 40.809 40.800 -0.232 0.000 1.011 91 D HN 0.603 nan 8.370 nan 0.000 0.404 92 I N 3.872 123.770 120.570 -1.121 0.000 2.587 92 I HA 0.094 4.264 4.170 -0.000 0.000 0.284 92 I C -1.843 173.985 176.117 -0.482 0.000 1.134 92 I CA -1.162 59.465 61.300 -1.122 0.000 1.410 92 I CB 0.213 37.653 38.000 -0.933 0.000 1.392 92 I HN 0.013 nan 8.210 nan 0.000 0.545 93 P HA 0.302 nan 4.420 nan 0.000 0.278 93 P C -0.378 176.852 177.300 -0.116 0.000 1.238 93 P CA -0.474 62.542 63.100 -0.140 0.000 0.794 93 P CB 1.129 32.798 31.700 -0.051 0.000 0.955 94 A N 2.744 125.513 122.820 -0.085 0.000 2.475 94 A HA 0.094 4.414 4.320 -0.000 0.000 0.239 94 A C 0.595 178.152 177.584 -0.045 0.000 1.087 94 A CA -0.378 51.619 52.037 -0.066 0.000 0.779 94 A CB -0.255 18.714 19.000 -0.051 0.000 1.036 94 A HN 0.539 nan 8.150 nan 0.000 0.506 95 V N 1.757 121.650 119.914 -0.037 0.000 2.872 95 V HA 0.045 4.165 4.120 -0.000 0.000 0.302 95 V C 1.197 177.281 176.094 -0.017 0.000 1.166 95 V CA 1.172 63.459 62.300 -0.021 0.000 1.298 95 V CB 0.680 32.492 31.823 -0.018 0.000 0.894 95 V HN 1.399 nan 8.190 nan 0.000 0.509 96 S N 4.729 120.423 115.700 -0.011 0.000 2.815 96 S HA 0.268 4.738 4.470 -0.000 0.000 0.254 96 S C 0.220 174.812 174.600 -0.013 0.000 1.197 96 S CA 0.214 58.407 58.200 -0.012 0.000 1.216 96 S CB -0.819 62.374 63.200 -0.013 0.000 0.871 96 S HN 1.521 nan 8.310 nan 0.000 0.473 97 E N 0.705 120.898 120.200 -0.012 0.000 6.936 97 E HA -0.118 4.232 4.350 -0.000 0.000 0.409 97 E C 0.682 177.276 176.600 -0.009 0.000 0.654 97 E CA 0.618 57.012 56.400 -0.011 0.000 0.939 97 E CB -1.335 28.358 29.700 -0.012 0.000 0.900 97 E HN 1.493 nan 8.360 nan 0.000 0.312 98 G N 3.005 111.800 108.800 -0.008 0.000 2.338 98 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.296 98 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.296 98 G C 0.388 175.285 174.900 -0.005 0.000 1.040 98 G CA 0.489 45.585 45.100 -0.007 0.000 1.004 98 G HN 0.653 nan 8.290 nan 0.000 0.509 99 S N -0.506 115.193 115.700 -0.002 0.000 2.477 99 S HA 0.766 5.236 4.470 -0.000 0.000 0.261 99 S C 0.802 175.405 174.600 0.005 0.000 1.197 99 S CA -0.349 57.853 58.200 0.003 0.000 1.015 99 S CB 0.404 63.608 63.200 0.007 0.000 1.077 99 S HN 0.335 nan 8.310 nan 0.000 0.505 100 M N 1.298 120.905 119.600 0.012 0.000 2.436 100 M HA 0.365 4.845 4.480 -0.000 0.000 0.331 100 M C -0.781 175.531 176.300 0.020 0.000 1.135 100 M CA -0.419 54.890 55.300 0.015 0.000 0.987 100 M CB 1.360 33.973 32.600 0.021 0.000 1.687 100 M HN 0.454 nan 8.290 nan 0.000 0.445 101 Q N 2.310 122.124 119.800 0.023 0.000 3.207 101 Q HA 0.314 4.654 4.340 -0.000 0.000 0.335 101 Q C -1.089 174.935 176.000 0.039 0.000 1.374 101 Q CA -0.039 55.779 55.803 0.024 0.000 1.023 101 Q CB -0.303 28.448 28.738 0.022 0.000 1.576 101 Q HN 0.441 nan 8.270 nan 0.000 0.515 102 V N 2.588 122.523 119.914 0.035 0.000 2.432 102 V HA 0.225 4.345 4.120 -0.000 0.000 0.271 102 V C 0.214 176.305 176.094 -0.004 0.000 1.046 102 V CA -0.681 61.640 62.300 0.035 0.000 0.945 102 V CB 1.024 32.867 31.823 0.034 0.000 0.992 102 V HN 0.528 nan 8.190 nan 0.000 0.471 103 D N 4.411 124.797 120.400 -0.023 0.000 2.228 103 D HA 0.505 5.145 4.640 -0.000 0.000 0.247 103 D C 0.753 176.996 176.300 -0.096 0.000 0.995 103 D CA -0.116 53.852 54.000 -0.054 0.000 0.903 103 D CB 2.467 43.239 40.800 -0.047 0.000 1.205 103 D HN 0.391 nan 8.370 nan 0.000 0.459 104 A N 2.096 124.834 122.820 -0.136 0.000 1.845 104 A HA -0.178 4.142 4.320 -0.000 0.000 0.215 104 A C 2.173 179.608 177.584 -0.248 0.000 1.195 104 A CA 2.540 54.435 52.037 -0.237 0.000 0.616 104 A CB -1.248 17.563 19.000 -0.313 0.000 0.832 104 A HN 0.769 nan 8.150 nan 0.000 0.443 105 S N -0.237 115.362 115.700 -0.169 0.000 2.440 105 S HA -0.151 4.319 4.470 -0.000 0.000 0.240 105 S C 0.994 175.575 174.600 -0.032 0.000 1.014 105 S CA 1.664 59.830 58.200 -0.057 0.000 0.980 105 S CB -0.322 62.869 63.200 -0.016 0.000 0.775 105 S HN 0.566 nan 8.310 nan 0.000 0.499 106 K N 1.318 121.662 120.400 -0.094 0.000 3.202 106 K HA 0.360 4.680 4.320 -0.000 0.000 0.206 106 K C -1.119 175.355 176.600 -0.209 0.000 1.142 106 K CA -0.285 55.911 56.287 -0.152 0.000 0.979 106 K CB 1.404 33.785 32.500 -0.199 0.000 0.863 106 K HN 0.103 nan 8.250 nan 0.000 0.479 107 V N 3.418 123.265 119.914 -0.111 0.000 2.450 107 V HA -0.096 4.024 4.120 -0.000 0.000 0.264 107 V C 0.710 176.778 176.094 -0.043 0.000 0.996 107 V CA 0.157 62.417 62.300 -0.066 0.000 1.138 107 V CB -0.969 30.834 31.823 -0.034 0.000 1.051 107 V HN 0.505 nan 8.190 nan 0.000 0.470 108 H N 8.871 127.940 119.070 -0.002 0.000 3.254 108 H HA -0.029 4.527 4.556 -0.000 0.000 0.253 108 H C -1.031 174.299 175.328 0.003 0.000 0.853 108 H CA -0.907 55.142 56.048 0.001 0.000 1.404 108 H CB 0.629 30.390 29.762 -0.001 0.000 1.483 108 H HN 0.529 nan 8.280 nan 0.000 0.522 109 P HA -0.078 nan 4.420 nan 0.000 0.234 109 P C 0.657 177.995 177.300 0.064 0.000 1.162 109 P CA 0.537 63.677 63.100 0.066 0.000 0.759 109 P CB 0.350 32.078 31.700 0.046 0.000 0.813 110 G N 0.128 108.980 108.800 0.087 0.000 2.422 110 G HA2 0.409 4.369 3.960 -0.000 0.000 0.317 110 G HA3 0.409 4.369 3.960 -0.000 0.000 0.317 110 G C -0.372 174.546 174.900 0.030 0.000 1.210 110 G CA -0.369 44.757 45.100 0.043 0.000 0.930 110 G HN -0.121 nan 8.290 nan 0.000 0.468 111 V N 2.469 122.393 119.914 0.018 0.000 2.814 111 V HA 0.077 4.197 4.120 -0.000 0.000 0.307 111 V C 1.090 177.182 176.094 -0.003 0.000 1.089 111 V CA 0.839 63.147 62.300 0.012 0.000 1.212 111 V CB 0.380 32.208 31.823 0.009 0.000 0.912 111 V HN 0.798 nan 8.190 nan 0.000 0.497 112 I N 1.070 121.639 120.570 -0.001 0.000 2.841 112 I HA 0.533 4.703 4.170 -0.000 0.000 0.324 112 I C -0.075 176.040 176.117 -0.002 0.000 1.483 112 I CA -0.177 61.112 61.300 -0.017 0.000 0.835 112 I CB 0.279 38.251 38.000 -0.047 0.000 1.771 112 I HN 0.606 nan 8.210 nan 0.000 0.590 113 S N -0.558 115.147 115.700 0.009 0.000 2.683 113 S HA 0.924 5.394 4.470 -0.000 0.000 0.269 113 S C -0.383 174.232 174.600 0.024 0.000 1.165 113 S CA -0.355 57.856 58.200 0.019 0.000 0.840 113 S CB 1.306 64.525 63.200 0.032 0.000 1.169 113 S HN 0.496 nan 8.310 nan 0.000 0.490 114 G N -0.735 108.085 108.800 0.034 0.000 2.949 114 G HA2 0.582 4.542 3.960 -0.000 0.000 0.285 114 G HA3 0.582 4.542 3.960 -0.000 0.000 0.285 114 G C -0.230 174.710 174.900 0.067 0.000 1.395 114 G CA -0.734 44.390 45.100 0.040 0.000 0.901 114 G HN 0.629 nan 8.290 nan 0.000 0.519 115 L N -0.255 121.012 121.223 0.074 0.000 2.376 115 L HA 0.110 4.450 4.340 -0.000 0.000 0.219 115 L C 1.381 178.306 176.870 0.093 0.000 1.133 115 L CA 1.202 56.116 54.840 0.123 0.000 0.816 115 L CB -0.562 41.559 42.059 0.104 0.000 0.933 115 L HN 0.492 nan 8.230 nan 0.000 0.449 116 N N -1.435 117.288 118.700 0.038 0.000 2.250 116 N HA 0.032 4.772 4.740 -0.000 0.000 0.190 116 N C 0.261 175.762 175.510 -0.015 0.000 1.116 116 N CA -0.004 53.042 53.050 -0.007 0.000 0.881 116 N CB 0.462 38.947 38.487 -0.004 0.000 1.006 116 N HN -0.033 nan 8.380 nan 0.000 0.491 117 S N 2.519 118.226 115.700 0.011 0.000 2.509 117 S HA 0.144 4.614 4.470 -0.000 0.000 0.287 117 S C -2.398 172.204 174.600 0.004 0.000 1.248 117 S CA -0.622 57.583 58.200 0.009 0.000 1.089 117 S CB 0.458 63.671 63.200 0.021 0.000 0.900 117 S HN 0.108 nan 8.310 nan 0.000 0.496 118 P HA 0.376 nan 4.420 nan 0.000 0.271 118 P C -0.774 176.531 177.300 0.010 0.000 1.233 118 P CA 0.040 63.133 63.100 -0.013 0.000 0.764 118 P CB 0.624 32.313 31.700 -0.017 0.000 0.825 119 A N 2.659 125.495 122.820 0.027 0.000 2.569 119 A HA 0.861 5.181 4.320 -0.000 0.000 0.290 119 A C -0.719 176.894 177.584 0.048 0.000 1.136 119 A CA -0.410 51.651 52.037 0.038 0.000 0.710 119 A CB 1.201 20.232 19.000 0.052 0.000 1.303 119 A HN 0.711 nan 8.150 nan 0.000 0.413 120 c N -0.930 117.694 118.600 0.041 0.000 3.311 120 c HA 0.862 5.432 4.570 -0.000 0.000 0.325 120 c C -0.853 173.255 174.090 0.029 0.000 1.352 120 c CA -0.797 55.558 56.329 0.043 0.000 1.308 120 c CB 0.439 42.966 42.510 0.029 0.000 1.619 120 c HN 0.945 nan 8.230 nan 0.000 0.469 121 M N 1.959 121.574 119.600 0.026 0.000 2.456 121 M HA 0.516 4.996 4.480 -0.000 0.000 0.324 121 M C -0.659 175.641 176.300 0.001 0.000 1.124 121 M CA -0.564 54.738 55.300 0.004 0.000 0.959 121 M CB 1.798 34.388 32.600 -0.016 0.000 1.692 121 M HN 0.657 nan 8.290 nan 0.000 0.444 122 L N 1.573 122.790 121.223 -0.010 0.000 2.455 122 L HA 0.120 4.459 4.340 -0.000 0.000 0.272 122 L C 1.156 178.019 176.870 -0.011 0.000 1.174 122 L CA -0.135 54.697 54.840 -0.012 0.000 0.869 122 L CB 0.872 42.921 42.059 -0.017 0.000 1.130 122 L HN 0.866 nan 8.230 nan 0.000 0.474 123 S N 2.205 117.901 115.700 -0.007 0.000 2.355 123 S HA -0.178 4.292 4.470 -0.000 0.000 0.222 123 S C 2.085 176.682 174.600 -0.005 0.000 1.031 123 S CA 1.121 59.322 58.200 0.000 0.000 0.993 123 S CB -0.178 63.015 63.200 -0.011 0.000 0.859 123 S HN 0.833 nan 8.310 nan 0.000 0.453 124 A N 2.850 125.660 122.820 -0.016 0.000 1.896 124 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 124 A C 0.490 178.061 177.584 -0.021 0.000 1.206 124 A CA 2.123 54.147 52.037 -0.021 0.000 0.647 124 A CB -1.843 17.144 19.000 -0.021 0.000 0.828 124 A HN 0.539 nan 8.150 nan 0.000 0.455 125 P HA -0.035 nan 4.420 nan 0.000 0.217 125 P C 1.757 179.030 177.300 -0.045 0.000 1.154 125 P CA 0.977 64.052 63.100 -0.041 0.000 0.841 125 P CB -0.183 31.481 31.700 -0.059 0.000 0.790 126 L N 0.909 122.110 121.223 -0.037 0.000 2.013 126 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 126 L C 2.578 179.486 176.870 0.062 0.000 1.073 126 L CA 2.195 57.022 54.840 -0.022 0.000 0.753 126 L CB -1.464 40.597 42.059 0.003 0.000 0.890 126 L HN -0.123 nan 8.230 nan 0.000 0.432 127 E N -0.099 120.154 120.200 0.089 0.000 2.028 127 E HA -0.280 4.070 4.350 -0.000 0.000 0.191 127 E C 2.300 179.008 176.600 0.180 0.000 0.988 127 E CA 1.703 58.207 56.400 0.172 0.000 0.799 127 E CB -0.293 29.447 29.700 0.067 0.000 0.755 127 E HN 0.456 nan 8.360 nan 0.000 0.447 128 K N -0.148 120.286 120.400 0.057 0.000 2.281 128 K HA -0.226 4.094 4.320 -0.000 0.000 0.203 128 K C 2.174 178.819 176.600 0.076 0.000 1.046 128 K CA 1.492 57.786 56.287 0.013 0.000 0.938 128 K CB -0.023 32.457 32.500 -0.033 0.000 0.737 128 K HN 0.180 nan 8.250 nan 0.000 0.458 129 Q N 0.085 119.923 119.800 0.064 0.000 2.123 129 Q HA -0.005 4.335 4.340 -0.000 0.000 0.196 129 Q C 2.041 178.096 176.000 0.092 0.000 0.958 129 Q CA 0.638 56.463 55.803 0.037 0.000 0.841 129 Q CB 0.145 28.808 28.738 -0.125 0.000 0.915 129 Q HN 0.294 nan 8.270 nan 0.000 0.455 130 L N -0.383 120.927 121.223 0.144 0.000 1.961 130 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 130 L C 0.715 177.602 176.870 0.028 0.000 1.072 130 L CA 0.923 55.837 54.840 0.122 0.000 0.749 130 L CB -0.257 41.937 42.059 0.224 0.000 0.889 130 L HN 0.189 nan 8.230 nan 0.000 0.432 131 F N -0.595 119.422 119.950 0.112 0.000 2.733 131 F HA 0.023 4.550 4.527 -0.000 0.000 0.344 131 F C 1.277 177.136 175.800 0.097 0.000 1.179 131 F CA -0.386 57.686 58.000 0.120 0.000 1.316 131 F CB -0.880 38.185 39.000 0.108 0.000 1.577 131 F HN 0.029 nan 8.300 nan 0.000 0.591 132 Y N 0.236 120.544 120.300 0.013 0.000 2.286 132 Y HA -0.010 4.540 4.550 -0.000 0.000 0.293 132 Y C 0.429 176.319 175.900 -0.017 0.000 1.124 132 Y CA 0.404 58.450 58.100 -0.091 0.000 1.178 132 Y CB -0.479 37.792 38.460 -0.315 0.000 1.010 132 Y HN 0.137 nan 8.280 nan 0.000 0.536 133 Y N 1.322 121.596 120.300 -0.044 0.000 2.336 133 Y HA 0.323 4.873 4.550 -0.000 0.000 0.331 133 Y C 0.108 175.971 175.900 -0.061 0.000 1.211 133 Y CA -0.489 57.511 58.100 -0.166 0.000 1.346 133 Y CB 0.520 38.916 38.460 -0.106 0.000 1.271 133 Y HN -0.196 nan 8.280 nan 0.000 0.538 134 I N 1.130 121.715 120.570 0.024 0.000 2.648 134 I HA 0.734 4.904 4.170 -0.000 0.000 0.304 134 I C 0.526 176.636 176.117 -0.012 0.000 1.009 134 I CA -0.335 60.910 61.300 -0.091 0.000 1.114 134 I CB 2.030 39.894 38.000 -0.228 0.000 1.293 134 I HN 0.816 nan 8.210 nan 0.000 0.449 135 G N 2.213 111.005 108.800 -0.013 0.000 2.791 135 G HA2 0.492 4.452 3.960 -0.000 0.000 0.158 135 G HA3 0.492 4.452 3.960 -0.000 0.000 0.158 135 G C -1.387 173.528 174.900 0.024 0.000 1.193 135 G CA -0.262 44.854 45.100 0.026 0.000 1.032 135 G HN 0.421 nan 8.290 nan 0.000 0.557 136 T N 1.715 116.294 114.554 0.041 0.000 3.089 136 T HA 0.273 4.623 4.350 -0.000 0.000 0.340 136 T C 1.024 175.751 174.700 0.045 0.000 1.008 136 T CA -0.569 61.556 62.100 0.042 0.000 1.096 136 T CB 1.327 70.218 68.868 0.039 0.000 1.024 136 T HN 0.258 nan 8.240 nan 0.000 0.477 137 M N 1.654 121.279 119.600 0.042 0.000 2.202 137 M HA 0.096 4.576 4.480 -0.000 0.000 0.262 137 M C 0.510 176.837 176.300 0.045 0.000 1.063 137 M CA 1.342 56.656 55.300 0.024 0.000 1.097 137 M CB -0.755 31.878 32.600 0.054 0.000 1.382 137 M HN 0.508 nan 8.290 nan 0.000 0.413 138 L N 1.356 122.622 121.223 0.072 0.000 2.324 138 L HA 0.336 4.676 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 -1.849 53.060 54.840 0.115 0.000 0.859 138 L CB 0.957 43.083 42.059 0.112 0.000 1.224 138 L HN -0.039 nan 8.230 nan 0.000 0.429 139 P HA 0.022 nan 4.420 nan 0.000 0.288 139 P C -0.364 176.973 177.300 0.063 0.000 1.291 139 P CA -0.242 62.909 63.100 0.085 0.000 0.766 139 P CB 1.035 32.756 31.700 0.035 0.000 1.242 140 N N -1.601 117.098 118.700 -0.002 0.000 2.273 140 N HA 0.053 4.793 4.740 -0.000 0.000 0.231 140 N C -0.245 175.216 175.510 -0.083 0.000 1.134 140 N CA -0.114 52.922 53.050 -0.023 0.000 0.856 140 N CB -0.532 37.944 38.487 -0.019 0.000 1.068 140 N HN 0.399 nan 8.380 nan 0.000 0.510 141 T N -2.361 112.116 114.554 -0.128 0.000 2.918 141 T HA 0.172 4.522 4.350 -0.000 0.000 0.302 141 T C 1.526 176.078 174.700 -0.246 0.000 1.045 141 T CA -0.366 61.614 62.100 -0.200 0.000 1.114 141 T CB 1.165 69.850 68.868 -0.306 0.000 0.965 141 T HN 0.119 nan 8.240 nan 0.000 0.540 142 R N 2.157 122.500 120.500 -0.262 0.000 2.133 142 R HA -0.098 4.242 4.340 -0.000 0.000 0.245 142 R C -0.397 175.547 176.300 -0.594 0.000 1.137 142 R CA 2.107 57.939 56.100 -0.446 0.000 0.947 142 R CB -1.834 28.306 30.300 -0.267 0.000 0.865 142 R HN 0.673 nan 8.270 nan 0.000 0.437 143 P HA -0.207 nan 4.420 nan 0.000 0.212 143 P C 0.821 178.121 177.300 0.000 0.000 1.178 143 P CA 1.786 64.848 63.100 -0.064 0.000 0.915 143 P CB -0.394 31.325 31.700 0.031 0.000 0.788 144 H N -0.364 118.653 119.070 -0.089 0.000 2.321 144 H HA -0.029 4.527 4.556 -0.000 0.000 0.300 144 H C 2.335 177.624 175.328 -0.065 0.000 1.087 144 H CA 0.940 56.975 56.048 -0.022 0.000 1.319 144 H CB -0.398 29.423 29.762 0.099 0.000 1.379 144 H HN 0.141 nan 8.280 nan 0.000 0.501 145 S N 0.373 116.073 115.700 -0.001 0.000 2.462 145 S HA -0.166 4.304 4.470 -0.000 0.000 0.243 145 S C 1.253 175.869 174.600 0.027 0.000 1.003 145 S CA 1.007 59.183 58.200 -0.040 0.000 0.970 145 S CB -0.231 62.887 63.200 -0.138 0.000 0.762 145 S HN 0.398 nan 8.310 nan 0.000 0.510 146 Y N -0.155 120.127 120.300 -0.031 0.000 2.448 146 Y HA 0.195 4.745 4.550 -0.000 0.000 0.289 146 Y C 2.134 177.974 175.900 -0.100 0.000 1.114 146 Y CA -0.548 57.538 58.100 -0.024 0.000 1.235 146 Y CB -0.500 37.976 38.460 0.026 0.000 1.045 146 Y HN 0.088 nan 8.280 nan 0.000 0.554 147 V N -1.849 117.911 119.914 -0.257 0.000 2.599 147 V HA 0.029 4.149 4.120 -0.000 0.000 0.237 147 V C 0.345 176.056 176.094 -0.639 0.000 1.081 147 V CA 0.394 62.196 62.300 -0.830 0.000 1.107 147 V CB -0.321 30.633 31.823 -1.448 0.000 0.808 147 V HN -0.150 nan 8.190 nan 0.000 0.486 148 F N -1.279 118.549 119.950 -0.203 0.000 2.370 148 F HA 0.493 5.020 4.527 -0.000 0.000 0.319 148 F C -0.211 175.527 175.800 -0.102 0.000 1.129 148 F CA -1.186 56.736 58.000 -0.130 0.000 1.109 148 F CB 0.092 39.044 39.000 -0.079 0.000 1.262 148 F HN -0.034 nan 8.300 nan 0.000 0.534 149 Y N 1.333 121.768 120.300 0.225 0.000 2.341 149 Y HA 0.177 4.727 4.550 -0.000 0.000 0.340 149 Y C 0.244 176.216 175.900 0.121 0.000 0.997 149 Y CA -0.716 57.463 58.100 0.132 0.000 1.149 149 Y CB 0.472 38.989 38.460 0.096 0.000 1.171 149 Y HN 0.357 nan 8.280 nan 0.000 0.494 150 Q N 3.483 123.437 119.800 0.256 0.000 2.859 150 Q HA -0.111 4.229 4.340 -0.000 0.000 0.364 150 Q C -0.811 175.283 176.000 0.157 0.000 1.067 150 Q CA 0.681 56.588 55.803 0.174 0.000 1.162 150 Q CB 0.325 29.144 28.738 0.135 0.000 1.023 150 Q HN 0.555 nan 8.270 nan 0.000 0.415 151 L N 3.258 124.558 121.223 0.129 0.000 2.354 151 L HA 0.583 4.923 4.340 -0.000 0.000 0.269 151 L C -0.787 176.130 176.870 0.079 0.000 1.005 151 L CA -0.405 54.501 54.840 0.109 0.000 0.819 151 L CB 1.884 44.020 42.059 0.129 0.000 1.311 151 L HN 0.613 nan 8.230 nan 0.000 0.423 152 R N 4.419 124.955 120.500 0.060 0.000 2.518 152 R HA 0.691 5.031 4.340 -0.000 0.000 0.296 152 R C -1.972 174.330 176.300 0.004 0.000 1.080 152 R CA -0.346 55.770 56.100 0.026 0.000 0.922 152 R CB 0.830 31.136 30.300 0.011 0.000 1.184 152 R HN 0.929 nan 8.270 nan 0.000 0.445 153 C N 0.484 119.780 119.300 -0.006 0.000 3.318 153 C HA 0.539 4.999 4.460 -0.000 0.000 0.322 153 C C -0.200 174.774 174.990 -0.027 0.000 1.398 153 C CA -1.248 57.759 59.018 -0.019 0.000 1.339 153 C CB 1.386 29.163 27.740 0.061 0.000 1.668 153 C HN 0.760 nan 8.230 nan 0.000 0.462 154 H N 1.177 120.287 119.070 0.067 0.000 3.001 154 H HA 0.415 4.971 4.556 -0.000 0.000 0.334 154 H C -0.071 175.399 175.328 0.236 0.000 1.034 154 H CA 1.065 57.188 56.048 0.126 0.000 1.420 154 H CB 0.543 30.386 29.762 0.136 0.000 1.405 154 H HN 0.618 nan 8.280 nan 0.000 0.593 155 L N 0.089 121.535 121.223 0.372 0.000 2.598 155 L HA 0.694 5.034 4.340 -0.000 0.000 0.246 155 L C -0.527 176.424 176.870 0.135 0.000 1.124 155 L CA -1.045 54.015 54.840 0.366 0.000 1.019 155 L CB 0.770 42.921 42.059 0.152 0.000 1.583 155 L HN 0.613 nan 8.230 nan 0.000 0.386 156 S N -1.322 114.364 115.700 -0.023 0.000 2.578 156 S HA 0.767 5.237 4.470 -0.000 0.000 0.285 156 S C -1.554 172.938 174.600 -0.180 0.000 1.126 156 S CA -0.613 57.447 58.200 -0.235 0.000 0.878 156 S CB 0.855 63.862 63.200 -0.322 0.000 1.091 156 S HN 1.524 nan 8.310 nan 0.000 0.450 157 Y N -0.736 119.476 120.300 -0.146 0.000 2.665 157 Y HA 0.905 5.455 4.550 -0.000 0.000 0.336 157 Y C -1.232 174.518 175.900 -0.250 0.000 1.085 157 Y CA -1.975 56.010 58.100 -0.192 0.000 1.096 157 Y CB 0.673 39.019 38.460 -0.189 0.000 1.301 157 Y HN 0.576 nan 8.280 nan 0.000 0.493 158 V N 1.514 121.454 119.914 0.044 0.000 2.357 158 V HA 0.758 4.878 4.120 -0.000 0.000 0.281 158 V C 0.123 176.145 176.094 -0.120 0.000 1.015 158 V CA -0.869 61.378 62.300 -0.088 0.000 0.827 158 V CB 0.213 31.927 31.823 -0.181 0.000 1.018 158 V HN 1.108 nan 8.190 nan 0.000 0.432 159 A N 4.854 127.638 122.820 -0.060 0.000 2.371 159 A HA 0.819 5.139 4.320 -0.000 0.000 0.257 159 A C -0.753 176.799 177.584 -0.055 0.000 1.089 159 A CA -0.100 51.851 52.037 -0.143 0.000 0.794 159 A CB 0.906 19.821 19.000 -0.141 0.000 1.029 159 A HN 0.833 nan 8.150 nan 0.000 0.488 160 L N 1.212 122.403 121.223 -0.053 0.000 2.472 160 L HA 0.709 5.049 4.340 -0.000 0.000 0.260 160 L C -0.469 176.406 176.870 0.008 0.000 0.963 160 L CA 0.220 55.082 54.840 0.037 0.000 0.829 160 L CB 2.285 44.431 42.059 0.145 0.000 1.348 160 L HN 0.678 nan 8.230 nan 0.000 0.408 161 S N 4.772 120.494 115.700 0.037 0.000 2.706 161 S HA 0.823 5.293 4.470 -0.000 0.000 0.270 161 S C -1.258 173.380 174.600 0.063 0.000 1.163 161 S CA -0.557 57.663 58.200 0.033 0.000 1.042 161 S CB 0.385 63.588 63.200 0.005 0.000 1.079 161 S HN 0.426 nan 8.310 nan 0.000 0.474 162 I N 3.144 123.779 120.570 0.109 0.000 3.067 162 I HA 0.550 4.720 4.170 -0.000 0.000 0.312 162 I C 0.724 176.882 176.117 0.069 0.000 1.073 162 I CA -0.886 60.460 61.300 0.076 0.000 1.016 162 I CB 1.130 39.149 38.000 0.033 0.000 1.227 162 I HN 0.769 nan 8.210 nan 0.000 0.456 163 N N 2.040 120.749 118.700 0.016 0.000 2.693 163 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 163 N C 0.601 176.118 175.510 0.011 0.000 1.119 163 N CA 1.406 54.454 53.050 -0.002 0.000 0.717 163 N CB -1.166 37.308 38.487 -0.022 0.000 1.071 163 N HN 1.143 nan 8.380 nan 0.000 0.555 164 G N 0.386 109.196 108.800 0.017 0.000 2.392 164 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.290 164 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.290 164 G C 0.130 175.035 174.900 0.008 0.000 1.032 164 G CA 0.199 45.304 45.100 0.010 0.000 1.269 164 G HN 0.532 nan 8.290 nan 0.000 0.511 165 D N -1.433 118.974 120.400 0.012 0.000 3.070 165 D HA -0.183 4.457 4.640 -0.000 0.000 0.220 165 D C 1.608 177.910 176.300 0.004 0.000 1.176 165 D CA 1.798 55.796 54.000 -0.003 0.000 0.924 165 D CB -0.358 40.431 40.800 -0.018 0.000 1.124 165 D HN 0.746 nan 8.370 nan 0.000 0.411 166 K N -0.851 119.568 120.400 0.032 0.000 2.400 166 K HA 0.090 4.409 4.320 -0.000 0.000 0.194 166 K C 0.526 177.196 176.600 0.117 0.000 1.033 166 K CA 0.293 56.605 56.287 0.042 0.000 1.021 166 K CB 0.584 33.099 32.500 0.025 0.000 0.808 166 K HN 0.166 nan 8.250 nan 0.000 0.505 167 F N 1.615 121.537 119.950 -0.047 0.000 2.604 167 F HA 0.169 4.696 4.527 -0.000 0.000 0.316 167 F C -1.941 173.856 175.800 -0.005 0.000 1.136 167 F CA -0.682 57.300 58.000 -0.030 0.000 0.989 167 F CB 1.522 40.477 39.000 -0.075 0.000 1.258 167 F HN -0.123 nan 8.300 nan 0.000 0.451 168 Q N 4.974 124.371 119.800 -0.671 0.000 2.435 168 Q HA 0.444 4.784 4.340 -0.000 0.000 0.282 168 Q C -2.323 173.454 176.000 -0.371 0.000 1.020 168 Q CA -1.061 54.517 55.803 -0.375 0.000 0.820 168 Q CB 3.112 31.732 28.738 -0.197 0.000 1.436 168 Q HN 0.703 nan 8.270 nan 0.000 0.395 169 Y N 0.431 120.574 120.300 -0.262 0.000 2.499 169 Y HA 0.665 5.215 4.550 -0.000 0.000 0.347 169 Y C -1.498 174.319 175.900 -0.138 0.000 0.987 169 Y CA -0.585 57.424 58.100 -0.152 0.000 1.044 169 Y CB 2.777 41.260 38.460 0.039 0.000 1.245 169 Y HN 0.755 nan 8.280 nan 0.000 0.461 170 T N 3.933 117.954 114.554 -0.888 0.000 2.890 170 T HA 0.400 4.750 4.350 -0.000 0.000 0.295 170 T C -0.127 174.023 174.700 -0.915 0.000 0.993 170 T CA -0.428 61.216 62.100 -0.760 0.000 0.979 170 T CB 1.074 69.682 68.868 -0.434 0.000 0.967 170 T HN 0.945 nan 8.240 nan 0.000 0.441 171 G N 2.238 110.618 108.800 -0.700 0.000 3.506 171 G HA2 0.505 4.465 3.960 -0.000 0.000 0.268 171 G HA3 0.505 4.465 3.960 -0.000 0.000 0.268 171 G C 0.407 175.228 174.900 -0.131 0.000 0.959 171 G CA -0.574 44.308 45.100 -0.364 0.000 1.823 171 G HN 0.976 nan 8.290 nan 0.000 0.615 172 A N 2.891 125.640 122.820 -0.119 0.000 2.454 172 A HA 0.676 4.996 4.320 -0.000 0.000 0.260 172 A C 0.341 177.870 177.584 -0.092 0.000 1.106 172 A CA -0.099 51.910 52.037 -0.046 0.000 0.780 172 A CB -0.016 18.951 19.000 -0.054 0.000 1.044 172 A HN 0.982 nan 8.150 nan 0.000 0.498 173 M N 1.817 121.379 119.600 -0.063 0.000 2.470 173 M HA 0.686 5.166 4.480 -0.000 0.000 0.285 173 M C -0.693 175.653 176.300 0.076 0.000 1.213 173 M CA -0.433 54.811 55.300 -0.093 0.000 0.901 173 M CB 1.922 34.563 32.600 0.069 0.000 1.718 173 M HN 0.493 nan 8.290 nan 0.000 0.469 174 T N -0.448 114.084 114.554 -0.037 0.000 2.807 174 T HA 0.488 4.838 4.350 -0.000 0.000 0.277 174 T C 0.973 175.773 174.700 0.168 0.000 1.006 174 T CA 0.104 62.275 62.100 0.118 0.000 1.006 174 T CB 1.473 70.213 68.868 -0.212 0.000 1.274 174 T HN 0.937 nan 8.240 nan 0.000 0.569 175 S N 0.222 115.706 115.700 -0.360 0.000 2.547 175 S HA 0.071 4.541 4.470 -0.000 0.000 0.235 175 S C 1.274 175.968 174.600 0.156 0.000 0.980 175 S CA 0.696 58.674 58.200 -0.370 0.000 0.941 175 S CB -0.276 62.534 63.200 -0.649 0.000 0.763 175 S HN 0.682 nan 8.310 nan 0.000 0.532 176 K N -0.265 120.302 120.400 0.278 0.000 2.424 176 K HA 0.323 4.643 4.320 -0.000 0.000 0.198 176 K C -0.195 176.764 176.600 0.599 0.000 1.190 176 K CA 0.185 56.754 56.287 0.469 0.000 0.935 176 K CB 0.789 33.493 32.500 0.341 0.000 1.087 176 K HN 0.588 nan 8.250 nan 0.000 0.524 177 F N -0.446 119.620 119.950 0.193 0.000 2.654 177 F HA 0.550 5.077 4.527 -0.000 0.000 0.308 177 F C -1.597 173.873 175.800 -0.550 0.000 1.108 177 F CA -1.689 56.175 58.000 -0.226 0.000 0.957 177 F CB 0.910 39.821 39.000 -0.149 0.000 1.309 177 F HN -0.298 nan 8.300 nan 0.000 0.446 178 L N 4.051 124.804 121.223 -0.782 0.000 2.331 178 L HA 0.756 5.096 4.340 -0.000 0.000 0.275 178 L C -1.109 175.762 176.870 0.002 0.000 1.022 178 L CA -0.723 53.802 54.840 -0.526 0.000 0.812 178 L CB 1.883 43.583 42.059 -0.598 0.000 1.257 178 L HN 0.923 nan 8.230 nan 0.000 0.435 179 M N 4.478 124.092 119.600 0.024 0.000 2.167 179 M HA 0.376 4.856 4.480 -0.000 0.000 0.218 179 M C -0.715 175.623 176.300 0.062 0.000 0.968 179 M CA -0.235 55.129 55.300 0.107 0.000 1.004 179 M CB 0.599 33.258 32.600 0.099 0.000 2.485 179 M HN 0.833 nan 8.290 nan 0.000 0.404 180 G N 2.163 111.063 108.800 0.166 0.000 2.444 180 G HA2 0.574 4.534 3.960 -0.000 0.000 0.268 180 G HA3 0.574 4.534 3.960 -0.000 0.000 0.268 180 G C -0.242 174.631 174.900 -0.045 0.000 1.203 180 G CA -0.084 45.075 45.100 0.099 0.000 0.835 180 G HN 0.627 nan 8.290 nan 0.000 0.543 181 T N -1.073 113.406 114.554 -0.126 0.000 2.861 181 T HA 0.584 4.934 4.350 -0.000 0.000 0.287 181 T C -1.088 173.525 174.700 -0.145 0.000 1.003 181 T CA -0.764 61.255 62.100 -0.136 0.000 0.977 181 T CB 1.383 70.249 68.868 -0.003 0.000 0.996 181 T HN 0.324 nan 8.240 nan 0.000 0.448 182 Y N 1.312 121.592 120.300 -0.033 0.000 2.352 182 Y HA 0.697 5.247 4.550 -0.000 0.000 0.326 182 Y C 0.563 176.446 175.900 -0.029 0.000 1.166 182 Y CA -1.250 56.783 58.100 -0.112 0.000 1.182 182 Y CB 1.718 39.988 38.460 -0.317 0.000 1.216 182 Y HN 0.754 nan 8.280 nan 0.000 0.474 183 K N 3.573 123.978 120.400 0.009 0.000 2.652 183 K HA 0.415 4.735 4.320 -0.000 0.000 0.249 183 K C -1.228 175.311 176.600 -0.102 0.000 0.986 183 K CA -0.668 55.611 56.287 -0.014 0.000 0.867 183 K CB 1.337 33.764 32.500 -0.121 0.000 1.201 183 K HN 0.779 nan 8.250 nan 0.000 0.450 184 R N 2.799 123.349 120.500 0.083 0.000 2.873 184 R HA 0.682 5.022 4.340 -0.000 0.000 0.264 184 R C -1.442 174.886 176.300 0.046 0.000 1.026 184 R CA -0.709 55.467 56.100 0.127 0.000 1.002 184 R CB 1.945 32.334 30.300 0.148 0.000 1.174 184 R HN 0.339 nan 8.270 nan 0.000 0.488 185 V N 1.838 121.778 119.914 0.044 0.000 2.612 185 V HA 0.232 4.352 4.120 -0.000 0.000 0.301 185 V C -0.066 176.035 176.094 0.010 0.000 1.059 185 V CA -0.840 61.462 62.300 0.003 0.000 0.886 185 V CB 1.886 33.699 31.823 -0.016 0.000 1.007 185 V HN 0.912 nan 8.190 nan 0.000 0.426 186 T N 2.437 117.002 114.554 0.017 0.000 2.698 186 T HA 0.115 4.465 4.350 -0.000 0.000 0.295 186 T C 1.315 176.014 174.700 -0.003 0.000 1.007 186 T CA -0.499 61.613 62.100 0.021 0.000 0.980 186 T CB 0.643 69.539 68.868 0.048 0.000 1.036 186 T HN 0.732 nan 8.240 nan 0.000 0.526 187 E N 0.298 120.495 120.200 -0.004 0.000 2.171 187 E HA -0.094 4.256 4.350 -0.000 0.000 0.197 187 E C 0.867 177.460 176.600 -0.011 0.000 0.997 187 E CA 1.234 57.628 56.400 -0.010 0.000 0.810 187 E CB -0.115 29.580 29.700 -0.008 0.000 0.738 187 E HN 0.491 nan 8.360 nan 0.000 0.467 188 K N -0.436 119.959 120.400 -0.010 0.000 2.362 188 K HA 0.315 4.635 4.320 -0.000 0.000 0.245 188 K C 1.176 177.760 176.600 -0.026 0.000 1.040 188 K CA 0.254 56.532 56.287 -0.015 0.000 0.961 188 K CB 0.750 33.244 32.500 -0.010 0.000 1.252 188 K HN 0.019 nan 8.250 nan 0.000 0.503 189 G N 1.001 109.784 108.800 -0.029 0.000 3.028 189 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.205 189 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.205 189 G C -0.359 174.504 174.900 -0.062 0.000 1.182 189 G CA 0.074 45.150 45.100 -0.040 0.000 0.860 189 G HN 0.534 nan 8.290 nan 0.000 0.507 190 D N 0.642 120.996 120.400 -0.075 0.000 2.450 190 D HA 0.152 4.792 4.640 -0.000 0.000 0.247 190 D C 0.135 176.312 176.300 -0.205 0.000 1.162 190 D CA 0.529 54.438 54.000 -0.152 0.000 0.879 190 D CB 1.008 41.721 40.800 -0.145 0.000 1.163 190 D HN 0.362 nan 8.370 nan 0.000 0.472 191 E N 2.542 122.595 120.200 -0.245 0.000 2.141 191 E HA 0.133 4.483 4.350 -0.000 0.000 0.259 191 E C -0.866 175.577 176.600 -0.262 0.000 0.883 191 E CA -0.730 55.552 56.400 -0.196 0.000 0.744 191 E CB 0.469 30.099 29.700 -0.117 0.000 1.150 191 E HN 0.397 nan 8.360 nan 0.000 0.420 192 H N 2.648 121.675 119.070 -0.072 0.000 2.467 192 H HA 0.377 4.933 4.556 -0.000 0.000 0.326 192 H C -0.287 174.939 175.328 -0.170 0.000 1.094 192 H CA -0.531 55.391 56.048 -0.211 0.000 1.253 192 H CB 1.495 31.192 29.762 -0.110 0.000 1.439 192 H HN 0.336 nan 8.280 nan 0.000 0.479 193 V N 2.097 121.811 119.914 -0.333 0.000 2.841 193 V HA 0.655 4.774 4.120 -0.000 0.000 0.310 193 V C -1.010 175.128 176.094 0.073 0.000 1.090 193 V CA -0.993 61.309 62.300 0.004 0.000 0.930 193 V CB 2.201 33.920 31.823 -0.173 0.000 1.014 193 V HN 0.461 nan 8.190 nan 0.000 0.425 194 L N 3.408 124.624 121.223 -0.012 0.000 2.526 194 L HA 0.953 5.293 4.340 -0.000 0.000 0.263 194 L C -0.426 176.381 176.870 -0.105 0.000 0.943 194 L CA 0.127 54.899 54.840 -0.112 0.000 0.859 194 L CB 2.169 43.950 42.059 -0.464 0.000 1.313 194 L HN 1.196 nan 8.230 nan 0.000 0.406 195 S N 4.227 119.923 115.700 -0.006 0.000 2.599 195 S HA 0.890 5.360 4.470 -0.000 0.000 0.294 195 S C -0.919 173.639 174.600 -0.071 0.000 1.094 195 S CA -0.910 57.255 58.200 -0.058 0.000 0.931 195 S CB 1.758 65.004 63.200 0.077 0.000 1.093 195 S HN 0.714 nan 8.310 nan 0.000 0.488 196 L N 1.535 122.656 121.223 -0.169 0.000 2.346 196 L HA 0.701 5.041 4.340 -0.000 0.000 0.276 196 L C -1.243 175.628 176.870 0.002 0.000 1.006 196 L CA -1.091 53.636 54.840 -0.189 0.000 0.817 196 L CB 2.073 43.726 42.059 -0.676 0.000 1.272 196 L HN 0.541 nan 8.230 nan 0.000 0.421 197 V N 2.627 122.613 119.914 0.121 0.000 2.407 197 V HA 0.427 4.547 4.120 -0.000 0.000 0.291 197 V C -0.763 175.531 176.094 0.334 0.000 1.018 197 V CA -0.544 61.881 62.300 0.209 0.000 0.842 197 V CB 1.651 33.547 31.823 0.122 0.000 0.996 197 V HN 0.461 nan 8.190 nan 0.000 0.426 198 F N 3.220 123.310 119.950 0.234 0.000 2.522 198 F HA 0.979 5.506 4.527 -0.000 0.000 0.324 198 F C 0.370 176.271 175.800 0.168 0.000 1.077 198 F CA 0.295 58.454 58.000 0.266 0.000 0.944 198 F CB 2.088 41.299 39.000 0.352 0.000 1.175 198 F HN 0.848 nan 8.300 nan 0.000 0.468 199 G N 3.641 112.020 108.800 -0.702 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 -1.887 172.920 174.900 -0.156 0.000 1.370 199 G CA -1.329 43.568 45.100 -0.339 0.000 0.918 199 G HN 0.653 nan 8.290 nan 0.000 0.610 200 K N 0.924 121.224 120.400 -0.167 0.000 2.436 200 K HA 0.224 4.544 4.320 -0.000 0.000 0.282 200 K C 1.626 178.086 176.600 -0.234 0.000 1.044 200 K CA 0.549 56.602 56.287 -0.391 0.000 1.028 200 K CB 0.623 32.929 32.500 -0.324 0.000 0.919 200 K HN 0.522 nan 8.250 nan 0.000 0.474 201 T N 2.848 117.269 114.554 -0.223 0.000 2.714 201 T HA -0.264 4.086 4.350 -0.000 0.000 0.268 201 T C 1.628 176.211 174.700 -0.194 0.000 1.036 201 T CA 2.084 64.063 62.100 -0.201 0.000 1.148 201 T CB -0.176 68.612 68.868 -0.133 0.000 0.856 201 T HN 0.655 nan 8.240 nan 0.000 0.462 202 K N 1.154 121.464 120.400 -0.149 0.000 2.365 202 K HA -0.019 4.300 4.320 -0.000 0.000 0.199 202 K C 1.271 177.819 176.600 -0.087 0.000 1.045 202 K CA 1.375 57.603 56.287 -0.099 0.000 0.962 202 K CB 0.135 32.589 32.500 -0.077 0.000 0.759 202 K HN 0.175 nan 8.250 nan 0.000 0.469 203 D N 0.433 120.772 120.400 -0.102 0.000 2.349 203 D HA 0.067 4.707 4.640 -0.000 0.000 0.214 203 D C -0.174 176.000 176.300 -0.210 0.000 1.063 203 D CA -0.093 53.868 54.000 -0.065 0.000 0.847 203 D CB 0.146 40.981 40.800 0.059 0.000 0.933 203 D HN 0.079 nan 8.370 nan 0.000 0.513 204 L N 2.112 123.141 121.223 -0.324 0.000 2.514 204 L HA 0.075 4.415 4.340 -0.000 0.000 0.280 204 L C -1.665 175.015 176.870 -0.317 0.000 1.223 204 L CA -0.614 53.921 54.840 -0.509 0.000 0.864 204 L CB -0.563 41.011 42.059 -0.808 0.000 1.118 204 L HN -0.176 nan 8.230 nan 0.000 0.494 205 P HA -0.032 nan 4.420 nan 0.000 0.272 205 P C -1.110 176.286 177.300 0.159 0.000 1.239 205 P CA -0.075 62.890 63.100 -0.225 0.000 0.807 205 P CB 0.349 31.755 31.700 -0.489 0.000 0.951 206 D N 0.528 121.044 120.400 0.192 0.000 2.277 206 D HA 0.195 4.835 4.640 -0.000 0.000 0.249 206 D C 0.114 176.625 176.300 0.351 0.000 1.134 206 D CA -0.082 54.078 54.000 0.267 0.000 0.863 206 D CB 0.535 41.469 40.800 0.225 0.000 1.143 206 D HN 0.184 nan 8.370 nan 0.000 0.458 207 L N 2.172 123.507 121.223 0.187 0.000 2.371 207 L HA 0.287 4.627 4.340 -0.000 0.000 0.272 207 L C 1.856 178.792 176.870 0.110 0.000 1.124 207 L CA -0.426 54.428 54.840 0.024 0.000 0.816 207 L CB 1.296 43.257 42.059 -0.163 0.000 1.129 207 L HN 0.315 nan 8.230 nan 0.000 0.448 208 R N 1.933 122.366 120.500 -0.111 0.000 1.967 208 R HA 0.150 4.490 4.340 -0.000 0.000 0.184 208 R C 1.059 177.321 176.300 -0.063 0.000 1.350 208 R CA 0.577 56.451 56.100 -0.375 0.000 1.232 208 R CB -0.527 29.384 30.300 -0.649 0.000 0.813 208 R HN 0.796 nan 8.270 nan 0.000 0.512 209 G N 0.513 109.306 108.800 -0.013 0.000 2.443 209 G HA2 0.012 3.972 3.960 -0.000 0.000 0.286 209 G HA3 0.012 3.972 3.960 -0.000 0.000 0.286 209 G C -2.040 172.726 174.900 -0.223 0.000 1.393 209 G CA -0.763 44.262 45.100 -0.126 0.000 1.080 209 G HN 0.358 nan 8.290 nan 0.000 0.566 210 P HA 0.196 nan 4.420 nan 0.000 0.238 210 P C -1.083 175.875 177.300 -0.571 0.000 1.679 210 P CA 0.416 63.249 63.100 -0.446 0.000 1.080 210 P CB -0.477 30.926 31.700 -0.495 0.000 1.961 211 F N 0.522 120.414 119.950 -0.097 0.000 2.520 211 F HA 0.456 4.983 4.527 -0.000 0.000 0.322 211 F C 0.461 176.182 175.800 -0.131 0.000 1.103 211 F CA -0.665 57.274 58.000 -0.101 0.000 0.926 211 F CB 1.747 40.624 39.000 -0.204 0.000 1.154 211 F HN -0.111 nan 8.300 nan 0.000 0.453 212 S N 1.893 117.664 115.700 0.119 0.000 2.647 212 S HA 0.338 4.808 4.470 -0.000 0.000 0.300 212 S C 0.284 174.918 174.600 0.056 0.000 1.129 212 S CA -0.722 57.508 58.200 0.050 0.000 1.029 212 S CB 0.525 63.759 63.200 0.056 0.000 1.007 212 S HN 0.650 nan 8.310 nan 0.000 0.484 213 Y N 2.741 123.078 120.300 0.061 0.000 2.173 213 Y HA -0.168 4.382 4.550 -0.000 0.000 0.282 213 Y C -0.221 175.690 175.900 0.017 0.000 1.192 213 Y CA 2.273 60.394 58.100 0.034 0.000 1.176 213 Y CB -1.237 37.241 38.460 0.030 0.000 0.969 213 Y HN 0.567 nan 8.280 nan 0.000 0.519 214 P HA -0.192 nan 4.420 nan 0.000 0.215 214 P C 1.242 178.577 177.300 0.059 0.000 1.157 214 P CA 2.352 65.509 63.100 0.096 0.000 0.874 214 P CB -0.264 31.478 31.700 0.071 0.000 0.790 215 S N -1.654 114.082 115.700 0.059 0.000 2.786 215 S HA 0.129 4.599 4.470 -0.000 0.000 0.223 215 S C 1.466 176.053 174.600 -0.022 0.000 0.956 215 S CA 0.171 58.383 58.200 0.020 0.000 0.961 215 S CB -1.031 62.208 63.200 0.065 0.000 0.784 215 S HN 0.140 nan 8.310 nan 0.000 0.519 216 L N -0.381 120.853 121.223 0.018 0.000 3.284 216 L HA 0.221 4.561 4.340 -0.000 0.000 0.294 216 L C -0.061 176.845 176.870 0.059 0.000 1.183 216 L CA 0.007 54.852 54.840 0.010 0.000 1.056 216 L CB 0.513 42.581 42.059 0.015 0.000 1.513 216 L HN 0.139 nan 8.230 nan 0.000 0.601 217 T N -0.855 113.740 114.554 0.067 0.000 2.869 217 T HA 0.120 4.470 4.350 -0.000 0.000 0.295 217 T C 0.947 175.634 174.700 -0.022 0.000 0.987 217 T CA 0.209 62.328 62.100 0.032 0.000 1.109 217 T CB 2.373 71.252 68.868 0.018 0.000 0.932 217 T HN -0.067 nan 8.240 nan 0.000 0.518 218 S N 1.268 116.938 115.700 -0.051 0.000 2.502 218 S HA 0.498 4.968 4.470 -0.000 0.000 0.228 218 S C 0.545 175.056 174.600 -0.148 0.000 1.061 218 S CA 0.063 58.225 58.200 -0.064 0.000 0.935 218 S CB 0.192 63.380 63.200 -0.020 0.000 0.809 218 S HN 0.894 nan 8.310 nan 0.000 0.510 219 A N 0.864 123.489 122.820 -0.325 0.000 2.422 219 A HA 0.763 5.083 4.320 -0.000 0.000 0.302 219 A C -0.960 176.227 177.584 -0.661 0.000 1.041 219 A CA -0.478 51.219 52.037 -0.566 0.000 0.708 219 A CB 1.521 19.937 19.000 -0.974 0.000 1.257 219 A HN 0.349 nan 8.150 nan 0.000 0.414 220 Q N 1.433 121.065 119.800 -0.279 0.000 2.331 220 Q HA 0.658 4.998 4.340 -0.000 0.000 0.272 220 Q C -0.767 175.359 176.000 0.210 0.000 1.062 220 Q CA -0.400 55.395 55.803 -0.015 0.000 0.806 220 Q CB 2.055 30.792 28.738 -0.001 0.000 1.312 220 Q HN 0.792 nan 8.270 nan 0.000 0.431 221 S N 0.770 116.696 115.700 0.375 0.000 2.667 221 S HA 0.462 4.932 4.470 -0.000 0.000 0.292 221 S C 0.915 175.627 174.600 0.187 0.000 1.108 221 S CA -0.102 58.297 58.200 0.332 0.000 0.992 221 S CB 0.692 64.150 63.200 0.430 0.000 1.269 221 S HN 0.842 nan 8.310 nan 0.000 0.528 222 G N 0.188 109.076 108.800 0.147 0.000 2.484 222 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.218 222 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.218 222 G C -0.091 174.825 174.900 0.026 0.000 1.130 222 G CA 0.977 46.122 45.100 0.074 0.000 0.784 222 G HN 0.746 nan 8.290 nan 0.000 0.543 223 D N -2.920 117.487 120.400 0.011 0.000 2.619 223 D HA 0.154 4.794 4.640 -0.000 0.000 0.300 223 D C -0.680 175.450 176.300 -0.284 0.000 1.502 223 D CA -0.626 53.288 54.000 -0.144 0.000 0.865 223 D CB -0.317 40.347 40.800 -0.227 0.000 1.343 223 D HN 0.224 nan 8.370 nan 0.000 0.447 224 Y N 0.601 120.954 120.300 0.088 0.000 2.462 224 Y HA 0.732 5.282 4.550 -0.000 0.000 0.346 224 Y C -0.027 176.043 175.900 0.283 0.000 0.976 224 Y CA -0.828 57.347 58.100 0.124 0.000 1.044 224 Y CB 2.558 41.105 38.460 0.145 0.000 1.230 224 Y HN -0.202 nan 8.280 nan 0.000 0.455 225 S N 2.221 118.145 115.700 0.373 0.000 2.595 225 S HA 0.666 5.136 4.470 -0.000 0.000 0.281 225 S C -2.062 172.694 174.600 0.260 0.000 1.117 225 S CA -0.684 57.618 58.200 0.171 0.000 0.873 225 S CB 2.188 65.368 63.200 -0.034 0.000 1.108 225 S HN 0.441 nan 8.310 nan 0.000 0.477 226 L N 2.631 123.875 121.223 0.034 0.000 2.427 226 L HA 0.600 4.940 4.340 -0.000 0.000 0.264 226 L C -1.338 175.572 176.870 0.066 0.000 0.989 226 L CA -0.335 54.603 54.840 0.164 0.000 0.865 226 L CB 1.021 43.127 42.059 0.079 0.000 1.209 226 L HN 0.488 nan 8.230 nan 0.000 0.430 227 V N 5.503 125.486 119.914 0.115 0.000 2.617 227 V HA 0.465 4.585 4.120 -0.000 0.000 0.298 227 V C 0.269 176.428 176.094 0.109 0.000 1.048 227 V CA -0.427 61.948 62.300 0.125 0.000 0.964 227 V CB 1.734 33.690 31.823 0.222 0.000 1.004 227 V HN 0.531 nan 8.190 nan 0.000 0.466 228 I N 4.026 124.656 120.570 0.099 0.000 2.405 228 I HA 0.327 4.497 4.170 -0.000 0.000 0.280 228 I C -0.660 175.506 176.117 0.081 0.000 1.027 228 I CA -0.499 60.859 61.300 0.097 0.000 1.161 228 I CB 1.477 39.566 38.000 0.148 0.000 1.300 228 I HN 0.275 nan 8.210 nan 0.000 0.463 229 V N 5.128 125.085 119.914 0.072 0.000 2.348 229 V HA 0.601 4.721 4.120 -0.000 0.000 0.270 229 V C 0.170 176.311 176.094 0.078 0.000 1.037 229 V CA -0.021 62.294 62.300 0.025 0.000 0.872 229 V CB 1.048 32.901 31.823 0.050 0.000 1.002 229 V HN 0.841 nan 8.190 nan 0.000 0.464 230 T N 2.713 117.301 114.554 0.056 0.000 2.722 230 T HA 0.427 4.777 4.350 -0.000 0.000 0.314 230 T C -0.427 174.326 174.700 0.087 0.000 1.675 230 T CA 0.133 62.312 62.100 0.131 0.000 1.003 230 T CB 1.891 70.848 68.868 0.147 0.000 1.602 230 T HN 0.872 nan 8.240 nan 0.000 0.496 231 T N 0.587 115.257 114.554 0.194 0.000 2.934 231 T HA 0.561 4.911 4.350 -0.000 0.000 0.283 231 T C 1.048 175.802 174.700 0.090 0.000 1.005 231 T CA -0.481 61.667 62.100 0.081 0.000 1.041 231 T CB 0.619 69.537 68.868 0.083 0.000 1.042 231 T HN 0.404 nan 8.240 nan 0.000 0.505 232 F N 1.109 121.155 119.950 0.159 0.000 2.134 232 F HA -0.042 4.485 4.527 -0.000 0.000 0.299 232 F C 2.684 178.565 175.800 0.134 0.000 1.097 232 F CA 1.099 59.209 58.000 0.182 0.000 1.264 232 F CB -1.059 38.013 39.000 0.120 0.000 1.001 232 F HN 0.427 nan 8.300 nan 0.000 0.479 233 V N -0.432 119.615 119.914 0.222 0.000 2.282 233 V HA -0.335 3.785 4.120 -0.000 0.000 0.249 233 V C 2.418 178.569 176.094 0.096 0.000 1.057 233 V CA 2.184 64.535 62.300 0.085 0.000 1.032 233 V CB -0.886 30.901 31.823 -0.060 0.000 0.645 233 V HN 0.364 nan 8.190 nan 0.000 0.447 234 H N -1.460 117.759 119.070 0.249 0.000 2.307 234 H HA -0.098 4.458 4.556 -0.000 0.000 0.303 234 H C 2.186 177.642 175.328 0.214 0.000 1.073 234 H CA 1.792 57.990 56.048 0.252 0.000 1.338 234 H CB -0.716 29.267 29.762 0.368 0.000 1.389 234 H HN 0.503 nan 8.280 nan 0.000 0.503 235 Y N 1.758 122.179 120.300 0.203 0.000 2.228 235 Y HA -0.293 4.256 4.550 -0.000 0.000 0.285 235 Y C 2.524 178.465 175.900 0.067 0.000 1.178 235 Y CA 1.267 59.384 58.100 0.028 0.000 1.202 235 Y CB -0.375 37.900 38.460 -0.309 0.000 0.974 235 Y HN 0.205 nan 8.280 nan 0.000 0.527 236 A N 0.161 123.029 122.820 0.081 0.000 1.841 236 A HA -0.247 4.073 4.320 -0.000 0.000 0.214 236 A C 2.149 179.663 177.584 -0.117 0.000 1.195 236 A CA 1.794 53.820 52.037 -0.018 0.000 0.611 236 A CB -1.167 17.855 19.000 0.037 0.000 0.835 236 A HN 0.582 nan 8.150 nan 0.000 0.443 237 N N -1.597 116.984 118.700 -0.200 0.000 2.272 237 N HA -0.139 4.601 4.740 -0.000 0.000 0.185 237 N C 1.186 176.466 175.510 -0.383 0.000 1.014 237 N CA 1.591 54.439 53.050 -0.338 0.000 0.870 237 N CB -0.317 37.687 38.487 -0.805 0.000 0.975 237 N HN 0.393 nan 8.380 nan 0.000 0.433 238 F N -0.554 119.177 119.950 -0.366 0.000 2.262 238 F HA 0.092 4.619 4.527 -0.000 0.000 0.292 238 F C 2.379 177.760 175.800 -0.699 0.000 1.081 238 F CA 0.751 58.376 58.000 -0.625 0.000 1.355 238 F CB -0.609 38.185 39.000 -0.343 0.000 1.069 238 F HN 0.267 nan 8.300 nan 0.000 0.506 239 H N 0.422 119.215 119.070 -0.462 0.000 2.543 239 H HA -0.097 4.459 4.556 -0.000 0.000 0.286 239 H C 1.406 176.560 175.328 -0.289 0.000 1.037 239 H CA 0.877 56.643 56.048 -0.470 0.000 1.250 239 H CB -0.083 29.334 29.762 -0.575 0.000 1.373 239 H HN 0.212 nan 8.280 nan 0.000 0.580 240 N N 0.230 118.825 118.700 -0.176 0.000 2.331 240 N HA -0.130 4.610 4.740 -0.000 0.000 0.180 240 N C 0.741 176.251 175.510 0.000 0.000 1.019 240 N CA 1.195 54.220 53.050 -0.041 0.000 0.881 240 N CB 0.080 38.589 38.487 0.036 0.000 0.972 240 N HN 0.655 nan 8.380 nan 0.000 0.435 241 Y N -3.780 116.495 120.300 -0.042 0.000 2.666 241 Y HA 0.425 4.975 4.550 -0.000 0.000 0.260 241 Y C -0.617 175.311 175.900 0.046 0.000 1.089 241 Y CA -1.041 57.039 58.100 -0.034 0.000 1.246 241 Y CB -0.242 38.178 38.460 -0.066 0.000 1.353 241 Y HN -0.203 nan 8.280 nan 0.000 0.558 242 F N 2.182 121.873 119.950 -0.432 0.000 2.771 242 F HA 0.686 5.213 4.527 -0.000 0.000 0.365 242 F C -1.508 174.071 175.800 -0.369 0.000 1.169 242 F CA -1.961 55.842 58.000 -0.329 0.000 1.093 242 F CB 1.524 40.315 39.000 -0.349 0.000 1.363 242 F HN -0.170 nan 8.300 nan 0.000 0.496 243 V N 7.598 127.127 119.914 -0.642 0.000 2.260 243 V HA 0.296 4.416 4.120 -0.000 0.000 0.263 243 V C -2.001 173.753 176.094 -0.566 0.000 1.036 243 V CA -1.245 60.677 62.300 -0.630 0.000 0.874 243 V CB 0.369 31.915 31.823 -0.462 0.000 1.116 243 V HN 0.550 nan 8.190 nan 0.000 0.454 244 P HA 0.068 nan 4.420 nan 0.000 0.269 244 P C -0.095 177.085 177.300 -0.201 0.000 1.209 244 P CA -0.087 62.706 63.100 -0.511 0.000 0.776 244 P CB 0.930 32.261 31.700 -0.615 0.000 0.876 245 N N 2.559 121.218 118.700 -0.069 0.000 3.303 245 N HA 0.042 4.782 4.740 -0.000 0.000 0.304 245 N C 1.403 176.948 175.510 0.059 0.000 1.302 245 N CA -0.116 52.935 53.050 0.002 0.000 1.213 245 N CB -0.627 37.879 38.487 0.033 0.000 1.481 245 N HN 0.353 nan 8.380 nan 0.000 0.546 246 L N 0.567 121.818 121.223 0.047 0.000 2.151 246 L HA -0.347 3.993 4.340 -0.000 0.000 0.219 246 L C 2.253 179.219 176.870 0.160 0.000 1.083 246 L CA 1.634 56.536 54.840 0.103 0.000 0.782 246 L CB -0.393 41.700 42.059 0.056 0.000 0.891 246 L HN 0.360 nan 8.230 nan 0.000 0.439 247 K N 0.056 120.527 120.400 0.120 0.000 1.971 247 K HA -0.206 4.114 4.320 -0.000 0.000 0.221 247 K C 1.785 178.494 176.600 0.182 0.000 1.050 247 K CA 2.057 58.431 56.287 0.145 0.000 0.967 247 K CB -0.445 32.112 32.500 0.096 0.000 0.733 247 K HN 0.271 nan 8.250 nan 0.000 0.445 248 D N 0.637 121.113 120.400 0.127 0.000 2.117 248 D HA -0.175 4.465 4.640 -0.000 0.000 0.197 248 D C 1.806 178.179 176.300 0.122 0.000 0.987 248 D CA 1.093 55.154 54.000 0.102 0.000 0.829 248 D CB -0.243 40.602 40.800 0.075 0.000 0.961 248 D HN 0.191 nan 8.370 nan 0.000 0.460 249 M N -0.665 119.037 119.600 0.171 0.000 2.202 249 M HA -0.196 4.284 4.480 -0.000 0.000 0.262 249 M C 1.841 178.270 176.300 0.215 0.000 1.063 249 M CA 1.278 56.710 55.300 0.221 0.000 1.097 249 M CB -0.013 32.747 32.600 0.267 0.000 1.382 249 M HN 0.014 nan 8.290 nan 0.000 0.413 250 F N 0.132 120.129 119.950 0.079 0.000 2.118 250 F HA -0.061 4.466 4.527 -0.000 0.000 0.293 250 F C 2.272 178.074 175.800 0.002 0.000 1.102 250 F CA 1.765 59.798 58.000 0.055 0.000 1.247 250 F CB -0.754 38.322 39.000 0.126 0.000 1.017 250 F HN 0.099 nan 8.300 nan 0.000 0.475 251 S N 0.787 116.491 115.700 0.006 0.000 2.359 251 S HA -0.291 4.179 4.470 -0.000 0.000 0.222 251 S C 2.139 176.619 174.600 -0.200 0.000 1.038 251 S CA 1.740 59.871 58.200 -0.116 0.000 1.051 251 S CB -0.628 62.586 63.200 0.023 0.000 0.944 251 S HN 0.351 nan 8.310 nan 0.000 0.433 252 R N 0.912 121.338 120.500 -0.125 0.000 2.139 252 R HA -0.095 4.245 4.340 -0.000 0.000 0.243 252 R C 2.107 178.284 176.300 -0.205 0.000 1.145 252 R CA 1.242 57.265 56.100 -0.129 0.000 0.976 252 R CB -0.362 29.853 30.300 -0.142 0.000 0.866 252 R HN 0.426 nan 8.270 nan 0.000 0.449 253 A N -0.637 121.957 122.820 -0.377 0.000 2.206 253 A HA 0.044 4.364 4.320 -0.000 0.000 0.211 253 A C 1.652 178.789 177.584 -0.745 0.000 1.158 253 A CA 0.605 52.135 52.037 -0.844 0.000 0.761 253 A CB 0.358 18.787 19.000 -0.951 0.000 0.801 253 A HN 0.182 nan 8.150 nan 0.000 0.473 254 V N -0.889 118.692 119.914 -0.556 0.000 2.840 254 V HA 0.006 4.126 4.120 -0.000 0.000 0.234 254 V C 1.387 177.311 176.094 -0.284 0.000 1.159 254 V CA 1.436 63.443 62.300 -0.489 0.000 1.194 254 V CB -0.373 31.098 31.823 -0.587 0.000 0.971 254 V HN 0.564 nan 8.190 nan 0.000 0.494 255 T N 0.406 114.836 114.554 -0.207 0.000 3.414 255 T HA 0.644 4.994 4.350 -0.000 0.000 0.304 255 T C -0.584 174.067 174.700 -0.081 0.000 1.241 255 T CA 0.125 62.164 62.100 -0.102 0.000 1.076 255 T CB -0.100 68.731 68.868 -0.061 0.000 1.134 255 T HN 0.290 nan 8.240 nan 0.000 0.759 256 M N 2.710 122.271 119.600 -0.065 0.000 2.381 256 M HA 0.201 4.681 4.480 -0.000 0.000 0.251 256 M C -0.267 176.053 176.300 0.034 0.000 0.986 256 M CA -0.302 54.994 55.300 -0.007 0.000 0.861 256 M CB 1.803 34.411 32.600 0.012 0.000 2.141 256 M HN 0.570 nan 8.290 nan 0.000 0.476 257 T N 2.629 117.238 114.554 0.092 0.000 2.946 257 T HA 0.363 4.713 4.350 -0.000 0.000 0.311 257 T C 1.219 176.022 174.700 0.171 0.000 1.063 257 T CA 0.920 63.122 62.100 0.170 0.000 1.139 257 T CB 0.964 69.963 68.868 0.218 0.000 0.994 257 T HN 0.837 nan 8.240 nan 0.000 0.547 258 A N 4.989 127.946 122.820 0.229 0.000 1.869 258 A HA -0.038 4.282 4.320 -0.000 0.000 0.218 258 A C 2.779 180.384 177.584 0.035 0.000 1.203 258 A CA 2.750 54.871 52.037 0.139 0.000 0.638 258 A CB -1.686 17.443 19.000 0.216 0.000 0.831 258 A HN 1.442 nan 8.150 nan 0.000 0.450 259 A N -0.987 121.776 122.820 -0.094 0.000 1.917 259 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 259 A C 2.477 180.057 177.584 -0.007 0.000 1.182 259 A CA 2.460 54.415 52.037 -0.137 0.000 0.633 259 A CB -1.038 17.825 19.000 -0.229 0.000 0.819 259 A HN 0.518 nan 8.150 nan 0.000 0.448 260 S N -1.947 113.787 115.700 0.056 0.000 2.348 260 S HA -0.164 4.306 4.470 -0.000 0.000 0.221 260 S C 1.861 176.545 174.600 0.139 0.000 1.033 260 S CA 1.466 59.721 58.200 0.092 0.000 1.010 260 S CB -0.592 62.667 63.200 0.098 0.000 0.891 260 S HN 0.661 nan 8.310 nan 0.000 0.442 261 Y N 2.430 122.751 120.300 0.035 0.000 2.207 261 Y HA -0.205 4.345 4.550 -0.000 0.000 0.287 261 Y C 2.417 178.371 175.900 0.090 0.000 1.156 261 Y CA 0.883 59.030 58.100 0.078 0.000 1.182 261 Y CB -0.784 37.685 38.460 0.016 0.000 0.979 261 Y HN 0.227 nan 8.280 nan 0.000 0.521 262 A N 0.196 123.056 122.820 0.067 0.000 1.908 262 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 262 A C 2.340 179.867 177.584 -0.095 0.000 1.181 262 A CA 2.101 54.098 52.037 -0.068 0.000 0.627 262 A CB -0.768 18.152 19.000 -0.134 0.000 0.818 262 A HN 0.537 nan 8.150 nan 0.000 0.445 263 R N -2.070 118.410 120.500 -0.034 0.000 2.093 263 R HA -0.123 4.217 4.340 -0.000 0.000 0.224 263 R C 2.072 178.347 176.300 -0.042 0.000 1.101 263 R CA 1.486 57.574 56.100 -0.021 0.000 0.979 263 R CB -0.569 29.753 30.300 0.036 0.000 0.877 263 R HN 0.592 nan 8.270 nan 0.000 0.441 264 Y N 0.424 120.647 120.300 -0.128 0.000 2.193 264 Y HA -0.222 4.328 4.550 -0.000 0.000 0.285 264 Y C 1.634 177.420 175.900 -0.189 0.000 1.166 264 Y CA 1.776 59.785 58.100 -0.152 0.000 1.181 264 Y CB -0.351 37.991 38.460 -0.196 0.000 0.976 264 Y HN -0.091 nan 8.280 nan 0.000 0.520 265 V N 0.028 119.625 119.914 -0.528 0.000 2.346 265 V HA -0.222 3.898 4.120 -0.000 0.000 0.244 265 V C 2.400 178.312 176.094 -0.304 0.000 1.037 265 V CA 1.508 63.488 62.300 -0.533 0.000 1.029 265 V CB -0.824 30.788 31.823 -0.351 0.000 0.663 265 V HN 0.484 nan 8.190 nan 0.000 0.454 266 L N 0.039 121.147 121.223 -0.192 0.000 2.043 266 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 266 L C 2.500 179.300 176.870 -0.117 0.000 1.075 266 L CA 2.080 56.852 54.840 -0.113 0.000 0.752 266 L CB -0.500 41.521 42.059 -0.063 0.000 0.891 266 L HN 0.374 nan 8.230 nan 0.000 0.432 267 Q N -0.958 118.756 119.800 -0.143 0.000 2.083 267 Q HA -0.228 4.112 4.340 -0.000 0.000 0.198 267 Q C 2.317 178.230 176.000 -0.146 0.000 0.969 267 Q CA 1.528 57.261 55.803 -0.117 0.000 0.838 267 Q CB -0.190 28.495 28.738 -0.087 0.000 0.900 267 Q HN 0.467 nan 8.270 nan 0.000 0.436 268 K N 0.637 120.882 120.400 -0.259 0.000 2.103 268 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 268 K C 2.027 178.547 176.600 -0.133 0.000 1.048 268 K CA 1.003 57.147 56.287 -0.238 0.000 0.930 268 K CB -0.046 32.214 32.500 -0.400 0.000 0.716 268 K HN 0.183 nan 8.250 nan 0.000 0.444 269 L N 0.055 121.203 121.223 -0.125 0.000 2.044 269 L HA -0.164 4.176 4.340 -0.000 0.000 0.205 269 L C 2.294 179.113 176.870 -0.085 0.000 1.075 269 L CA 0.731 55.519 54.840 -0.086 0.000 0.747 269 L CB -0.530 41.475 42.059 -0.090 0.000 0.903 269 L HN -0.019 nan 8.230 nan 0.000 0.435 270 V N 0.466 120.332 119.914 -0.080 0.000 2.324 270 V HA -0.326 3.794 4.120 -0.000 0.000 0.250 270 V C 2.482 178.549 176.094 -0.046 0.000 1.060 270 V CA 2.004 64.266 62.300 -0.063 0.000 1.042 270 V CB -0.536 31.262 31.823 -0.042 0.000 0.650 270 V HN 0.357 nan 8.190 nan 0.000 0.450 271 L N -0.426 120.773 121.223 -0.040 0.000 1.970 271 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 271 L C 2.222 179.081 176.870 -0.019 0.000 1.071 271 L CA 1.983 56.811 54.840 -0.020 0.000 0.751 271 L CB -0.588 41.458 42.059 -0.022 0.000 0.889 271 L HN 0.165 nan 8.230 nan 0.000 0.432 272 L N 0.001 121.210 121.223 -0.023 0.000 2.127 272 L HA -0.229 4.111 4.340 -0.000 0.000 0.211 272 L C 2.592 179.447 176.870 -0.026 0.000 1.089 272 L CA 1.840 56.675 54.840 -0.008 0.000 0.757 272 L CB -0.893 41.176 42.059 0.017 0.000 0.899 272 L HN 0.480 nan 8.230 nan 0.000 0.434 273 E N -0.676 119.490 120.200 -0.057 0.000 2.047 273 E HA -0.226 4.124 4.350 -0.000 0.000 0.191 273 E C 2.227 178.796 176.600 -0.052 0.000 0.987 273 E CA 1.164 57.517 56.400 -0.079 0.000 0.799 273 E CB -0.081 29.553 29.700 -0.111 0.000 0.752 273 E HN 0.439 nan 8.360 nan 0.000 0.449 274 M N 0.110 119.691 119.600 -0.033 0.000 2.460 274 M HA -0.109 4.371 4.480 -0.000 0.000 0.263 274 M C 1.573 177.872 176.300 -0.001 0.000 1.071 274 M CA 1.064 56.360 55.300 -0.008 0.000 1.096 274 M CB 0.098 32.711 32.600 0.021 0.000 1.408 274 M HN -0.098 nan 8.290 nan 0.000 0.463 275 K N -0.090 120.306 120.400 -0.005 0.000 2.458 275 K HA 0.143 4.463 4.320 -0.000 0.000 0.194 275 K C 1.092 177.690 176.600 -0.003 0.000 1.024 275 K CA 0.426 56.713 56.287 0.000 0.000 1.108 275 K CB 0.170 32.672 32.500 0.003 0.000 0.846 275 K HN 0.493 nan 8.250 nan 0.000 0.518 276 G N 0.911 109.704 108.800 -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 0.796 175.693 174.900 -0.004 0.000 0.975 276 G CA 0.265 45.357 45.100 -0.013 0.000 0.644 276 G HN 0.477 nan 8.290 nan 0.000 0.537 277 G N -0.850 107.953 108.800 0.006 0.000 2.807 277 G HA2 0.090 4.050 3.960 -0.000 0.000 0.207 277 G HA3 0.090 4.050 3.960 -0.000 0.000 0.207 277 G C 1.231 176.175 174.900 0.073 0.000 1.151 277 G CA 1.470 46.595 45.100 0.043 0.000 0.800 277 G HN 0.746 nan 8.290 nan 0.000 0.523 278 c N -0.712 117.888 118.600 0.000 0.000 2.974 278 c HA 0.426 4.996 4.570 -0.000 0.000 0.282 278 c C 1.943 176.030 174.090 -0.006 0.000 1.292 278 c CA -0.388 55.917 56.329 -0.040 0.000 1.710 278 c CB -0.626 41.802 42.510 -0.137 0.000 2.036 278 c HN 0.533 nan 8.230 nan 0.000 0.629 279 R N -0.400 120.107 120.500 0.012 0.000 2.637 279 R HA 0.104 4.444 4.340 -0.000 0.000 0.262 279 R C -0.054 176.253 176.300 0.012 0.000 0.959 279 R CA 0.102 56.206 56.100 0.007 0.000 1.061 279 R CB 0.405 30.698 30.300 -0.011 0.000 1.610 279 R HN 0.192 nan 8.270 nan 0.000 0.548 280 E N 1.378 121.587 120.200 0.014 0.000 4.044 280 E HA 0.217 4.567 4.350 -0.000 0.000 0.216 280 E C -2.615 173.988 176.600 0.005 0.000 1.104 280 E CA -1.736 54.665 56.400 0.000 0.000 1.383 280 E CB 1.387 31.081 29.700 -0.010 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 0.242 281 P C -0.088 177.169 177.300 -0.071 0.000 1.116 281 P CA 0.549 63.670 63.100 0.036 0.000 0.954 281 P CB 0.005 31.727 31.700 0.037 0.000 0.908 282 E N 2.763 122.927 120.200 -0.061 0.000 2.324 282 E HA 0.103 4.453 4.350 -0.000 0.000 0.271 282 E C -0.132 176.353 176.600 -0.191 0.000 1.028 282 E CA -0.018 56.316 56.400 -0.110 0.000 0.890 282 E CB 0.180 29.843 29.700 -0.062 0.000 1.004 282 E HN 0.349 nan 8.360 nan 0.000 0.431 283 L N 5.545 126.596 121.223 -0.287 0.000 2.423 283 L HA 0.216 4.556 4.340 -0.000 0.000 0.249 283 L C -0.509 176.213 176.870 -0.248 0.000 1.276 283 L CA -0.305 54.270 54.840 -0.440 0.000 1.199 283 L CB -0.654 40.984 42.059 -0.702 0.000 1.407 283 L HN 0.555 nan 8.230 nan 0.000 0.410 284 D N -2.761 117.571 120.400 -0.113 0.000 2.525 284 D HA 0.300 4.939 4.640 -0.000 0.000 0.249 284 D C 1.281 177.639 176.300 0.097 0.000 1.072 284 D CA -0.266 53.743 54.000 0.016 0.000 1.067 284 D CB 0.695 41.494 40.800 -0.001 0.000 1.282 284 D HN 0.099 nan 8.370 nan 0.000 0.587 285 T N -2.589 112.046 114.554 0.135 0.000 2.665 285 T HA -0.298 4.052 4.350 -0.000 0.000 0.268 285 T C 1.515 176.312 174.700 0.161 0.000 1.035 285 T CA 1.754 63.964 62.100 0.183 0.000 1.151 285 T CB -0.671 68.200 68.868 0.005 0.000 0.862 285 T HN 0.617 nan 8.240 nan 0.000 0.438 286 E N 0.936 121.186 120.200 0.084 0.000 2.023 286 E HA -0.197 4.153 4.350 -0.000 0.000 0.196 286 E C 2.345 178.993 176.600 0.080 0.000 1.003 286 E CA 1.923 58.368 56.400 0.075 0.000 0.809 286 E CB -0.515 29.211 29.700 0.044 0.000 0.755 286 E HN 0.583 nan 8.360 nan 0.000 0.449 287 T N 1.213 115.796 114.554 0.049 0.000 2.720 287 T HA -0.174 4.176 4.350 -0.000 0.000 0.268 287 T C 1.825 176.531 174.700 0.009 0.000 1.037 287 T CA 1.233 63.352 62.100 0.031 0.000 1.144 287 T CB -0.228 68.622 68.868 -0.030 0.000 0.864 287 T HN 0.070 nan 8.240 nan 0.000 0.444 288 L N 0.684 121.894 121.223 -0.021 0.000 2.093 288 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 288 L C 2.786 179.709 176.870 0.088 0.000 1.085 288 L CA 1.561 56.319 54.840 -0.138 0.000 0.755 288 L CB -1.019 40.749 42.059 -0.485 0.000 0.904 288 L HN 0.238 nan 8.230 nan 0.000 0.435 289 T N -1.360 113.364 114.554 0.282 0.000 2.674 289 T HA -0.220 4.130 4.350 -0.000 0.000 0.265 289 T C 1.883 176.742 174.700 0.264 0.000 1.039 289 T CA 2.110 64.421 62.100 0.352 0.000 1.150 289 T CB -0.549 68.478 68.868 0.265 0.000 0.864 289 T HN 0.615 nan 8.240 nan 0.000 0.427 290 T N 1.375 116.025 114.554 0.160 0.000 2.685 290 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 290 T C 2.013 176.796 174.700 0.138 0.000 1.034 290 T CA 1.514 63.676 62.100 0.103 0.000 1.149 290 T CB -0.724 68.183 68.868 0.065 0.000 0.860 290 T HN 0.286 nan 8.240 nan 0.000 0.449 291 M N 0.158 119.838 119.600 0.134 0.000 2.082 291 M HA 0.010 4.490 4.480 -0.000 0.000 0.258 291 M C 2.165 178.574 176.300 0.182 0.000 1.071 291 M CA 2.274 57.642 55.300 0.113 0.000 1.103 291 M CB -0.709 31.819 32.600 -0.120 0.000 1.307 291 M HN 0.294 nan 8.290 nan 0.000 0.409 292 F N 1.459 121.379 119.950 -0.049 0.000 2.126 292 F HA -0.216 4.311 4.527 -0.000 0.000 0.299 292 F C 2.159 178.107 175.800 0.246 0.000 1.096 292 F CA 1.825 59.899 58.000 0.124 0.000 1.255 292 F CB -0.425 38.654 39.000 0.132 0.000 0.997 292 F HN 0.200 nan 8.300 nan 0.000 0.479 293 E N -0.432 119.834 120.200 0.110 0.000 2.204 293 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 293 E C 2.386 179.053 176.600 0.111 0.000 0.989 293 E CA 1.271 57.718 56.400 0.077 0.000 0.824 293 E CB -0.385 29.389 29.700 0.124 0.000 0.756 293 E HN 0.329 nan 8.360 nan 0.000 0.477 294 V N 1.759 121.756 119.914 0.138 0.000 2.343 294 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 294 V C 2.557 178.834 176.094 0.306 0.000 1.051 294 V CA 2.160 64.580 62.300 0.200 0.000 1.036 294 V CB -0.456 31.500 31.823 0.222 0.000 0.654 294 V HN 0.364 nan 8.190 nan 0.000 0.451 295 S N -0.723 115.126 115.700 0.249 0.000 2.414 295 S HA -0.087 4.383 4.470 -0.000 0.000 0.227 295 S C 1.896 176.636 174.600 0.234 0.000 1.022 295 S CA 1.192 59.525 58.200 0.222 0.000 0.958 295 S CB -0.205 63.106 63.200 0.185 0.000 0.797 295 S HN 0.315 nan 8.310 nan 0.000 0.493 296 V N 2.565 122.530 119.914 0.084 0.000 2.427 296 V HA -0.084 4.036 4.120 -0.000 0.000 0.248 296 V C 3.110 179.378 176.094 0.289 0.000 1.051 296 V CA 1.525 63.882 62.300 0.095 0.000 1.048 296 V CB -1.485 30.206 31.823 -0.220 0.000 0.666 296 V HN 0.646 nan 8.190 nan 0.000 0.456 297 A N -0.434 122.643 122.820 0.427 0.000 1.902 297 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 297 A C 2.038 179.706 177.584 0.141 0.000 1.181 297 A CA 1.856 54.117 52.037 0.374 0.000 0.623 297 A CB -0.673 18.447 19.000 0.200 0.000 0.818 297 A HN 0.470 nan 8.150 nan 0.000 0.443 298 F N -1.713 118.299 119.950 0.104 0.000 2.206 298 F HA -0.018 4.509 4.527 -0.000 0.000 0.298 298 F C 1.972 177.845 175.800 0.123 0.000 1.090 298 F CA 1.328 59.355 58.000 0.046 0.000 1.323 298 F CB -0.501 38.517 39.000 0.030 0.000 1.028 298 F HN 0.362 nan 8.300 nan 0.000 0.492 299 F N 1.232 121.324 119.950 0.236 0.000 2.102 299 F HA -0.178 4.349 4.527 -0.000 0.000 0.298 299 F C 2.299 178.229 175.800 0.216 0.000 1.105 299 F CA 1.535 59.666 58.000 0.218 0.000 1.239 299 F CB -0.577 38.535 39.000 0.186 0.000 0.991 299 F HN -0.279 nan 8.300 nan 0.000 0.474 300 K N 0.548 120.900 120.400 -0.080 0.000 2.034 300 K HA -0.174 4.146 4.320 -0.000 0.000 0.214 300 K C 2.224 178.786 176.600 -0.063 0.000 1.051 300 K CA 1.825 58.007 56.287 -0.174 0.000 0.931 300 K CB -1.075 31.380 32.500 -0.075 0.000 0.715 300 K HN 0.285 nan 8.250 nan 0.000 0.446 301 V N 0.395 120.296 119.914 -0.021 0.000 2.332 301 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 301 V C 2.477 178.626 176.094 0.093 0.000 1.055 301 V CA 2.233 64.536 62.300 0.005 0.000 1.038 301 V CB -1.015 30.670 31.823 -0.229 0.000 0.651 301 V HN 0.471 nan 8.190 nan 0.000 0.450 302 G N -1.584 107.300 108.800 0.139 0.000 2.408 302 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.217 302 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.217 302 G C 1.556 176.578 174.900 0.203 0.000 1.150 302 G CA 0.842 46.147 45.100 0.341 0.000 0.776 302 G HN 0.611 nan 8.290 nan 0.000 0.542 303 H N 0.745 119.736 119.070 -0.133 0.000 2.524 303 H HA 0.157 4.713 4.556 -0.000 0.000 0.282 303 H C 2.595 177.865 175.328 -0.096 0.000 1.016 303 H CA 0.881 56.794 56.048 -0.225 0.000 1.270 303 H CB 0.226 29.597 29.762 -0.651 0.000 1.394 303 H HN 0.346 nan 8.280 nan 0.000 0.568 304 A N 0.301 123.105 122.820 -0.027 0.000 1.840 304 A HA -0.075 4.244 4.320 -0.000 0.000 0.214 304 A C 2.609 180.164 177.584 -0.048 0.000 1.198 304 A CA 1.229 53.249 52.037 -0.027 0.000 0.608 304 A CB -0.829 18.247 19.000 0.126 0.000 0.839 304 A HN 0.248 nan 8.150 nan 0.000 0.443 305 V N 0.344 120.291 119.914 0.056 0.000 2.867 305 V HA -0.146 3.974 4.120 -0.000 0.000 0.260 305 V C 2.575 178.658 176.094 -0.018 0.000 1.099 305 V CA 1.630 63.966 62.300 0.060 0.000 1.122 305 V CB -1.382 30.546 31.823 0.174 0.000 0.708 305 V HN 0.622 nan 8.190 nan 0.000 0.490 306 G N -0.406 108.348 108.800 -0.077 0.000 2.404 306 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.213 306 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.213 306 G C 1.426 176.220 174.900 -0.177 0.000 1.189 306 G CA 0.337 45.353 45.100 -0.141 0.000 0.796 306 G HN 0.448 nan 8.290 nan 0.000 0.532 307 E N 0.863 120.905 120.200 -0.263 0.000 2.097 307 E HA -0.134 4.216 4.350 -0.000 0.000 0.196 307 E C 1.965 178.481 176.600 -0.141 0.000 1.000 307 E CA 1.552 57.816 56.400 -0.226 0.000 0.804 307 E CB -0.768 28.783 29.700 -0.248 0.000 0.740 307 E HN 0.523 nan 8.360 nan 0.000 0.454 308 T N -0.519 113.960 114.554 -0.125 0.000 3.783 308 T HA 0.433 4.783 4.350 -0.000 0.000 0.262 308 T C 0.553 175.210 174.700 -0.071 0.000 1.381 308 T CA -0.167 61.876 62.100 -0.096 0.000 1.155 308 T CB 0.028 68.834 68.868 -0.103 0.000 1.256 308 T HN 0.049 nan 8.240 nan 0.000 0.807 309 G N 1.559 110.318 108.800 -0.069 0.000 2.441 309 G HA2 0.269 4.229 3.960 -0.000 0.000 0.243 309 G HA3 0.269 4.229 3.960 -0.000 0.000 0.243 309 G C 0.621 175.495 174.900 -0.042 0.000 1.281 309 G CA -0.697 44.371 45.100 -0.053 0.000 0.854 309 G HN 0.597 nan 8.290 nan 0.000 0.560 310 N N -0.065 118.615 118.700 -0.033 0.000 2.714 310 N HA -0.172 4.568 4.740 -0.000 0.000 0.250 310 N C 0.916 176.409 175.510 -0.028 0.000 1.117 310 N CA 1.297 54.331 53.050 -0.027 0.000 0.719 310 N CB -1.101 37.372 38.487 -0.024 0.000 1.081 310 N HN 0.885 nan 8.380 nan 0.000 0.557 311 G N -0.993 107.788 108.800 -0.033 0.000 2.890 311 G HA2 0.611 4.571 3.960 -0.000 0.000 0.189 311 G HA3 0.611 4.571 3.960 -0.000 0.000 0.189 311 G C -0.734 174.150 174.900 -0.028 0.000 1.342 311 G CA 0.115 45.194 45.100 -0.036 0.000 1.026 311 G HN 0.388 nan 8.290 nan 0.000 0.579 312 c N 0.348 118.929 118.600 -0.031 0.000 2.716 312 c HA 0.554 5.124 4.570 -0.000 0.000 0.366 312 c C -0.371 173.707 174.090 -0.021 0.000 1.073 312 c CA -0.760 55.558 56.329 -0.017 0.000 1.260 312 c CB 0.289 42.792 42.510 -0.011 0.000 1.755 312 c HN 0.784 nan 8.230 nan 0.000 0.475 313 V N 2.800 122.717 119.914 0.007 0.000 2.432 313 V HA 0.452 4.572 4.120 -0.000 0.000 0.275 313 V C 0.175 176.321 176.094 0.087 0.000 1.043 313 V CA -0.171 62.146 62.300 0.027 0.000 0.925 313 V CB 1.272 33.160 31.823 0.109 0.000 0.985 313 V HN 0.871 nan 8.190 nan 0.000 0.466 314 D N 3.084 123.540 120.400 0.093 0.000 2.488 314 D HA 0.009 4.649 4.640 -0.000 0.000 0.238 314 D C 0.772 177.198 176.300 0.210 0.000 1.138 314 D CA -0.104 53.973 54.000 0.128 0.000 0.873 314 D CB 1.253 42.124 40.800 0.119 0.000 1.183 314 D HN 0.599 nan 8.370 nan 0.000 0.458 315 L N 4.466 125.791 121.223 0.170 0.000 2.191 315 L HA -0.099 4.241 4.340 -0.000 0.000 0.212 315 L C 2.062 179.115 176.870 0.305 0.000 1.103 315 L CA 1.632 56.592 54.840 0.201 0.000 0.769 315 L CB -0.286 41.886 42.059 0.188 0.000 0.908 315 L HN 0.478 nan 8.230 nan 0.000 0.438 316 R N -1.480 119.206 120.500 0.309 0.000 2.096 316 R HA -0.224 4.116 4.340 -0.000 0.000 0.235 316 R C 2.172 178.648 176.300 0.294 0.000 1.127 316 R CA 1.739 58.049 56.100 0.351 0.000 0.968 316 R CB -0.821 29.538 30.300 0.097 0.000 0.861 316 R HN 0.607 nan 8.270 nan 0.000 0.440 317 W N 2.231 123.607 121.300 0.126 0.000 2.355 317 W HA -0.189 4.471 4.660 -0.000 0.000 0.309 317 W C 1.494 178.107 176.519 0.157 0.000 1.206 317 W CA 1.439 58.854 57.345 0.116 0.000 1.284 317 W CB -0.263 29.249 29.460 0.087 0.000 1.145 317 W HN 0.048 nan 8.180 nan 0.000 0.502 318 L N 1.246 122.597 121.223 0.213 0.000 1.994 318 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 318 L C 2.921 179.852 176.870 0.102 0.000 1.071 318 L CA 1.598 56.545 54.840 0.179 0.000 0.745 318 L CB -1.766 40.380 42.059 0.145 0.000 0.892 318 L HN -0.064 nan 8.230 nan 0.000 0.431 319 A N -0.069 122.795 122.820 0.073 0.000 2.032 319 A HA -0.270 4.050 4.320 -0.000 0.000 0.221 319 A C 2.447 180.043 177.584 0.020 0.000 1.165 319 A CA 2.231 54.274 52.037 0.010 0.000 0.645 319 A CB -0.449 18.503 19.000 -0.079 0.000 0.807 319 A HN 0.422 nan 8.150 nan 0.000 0.453 320 K N -1.200 119.193 120.400 -0.012 0.000 2.141 320 K HA 0.028 4.348 4.320 -0.000 0.000 0.202 320 K C 2.246 178.789 176.600 -0.094 0.000 1.045 320 K CA 1.021 57.283 56.287 -0.042 0.000 0.971 320 K CB -0.046 32.393 32.500 -0.101 0.000 0.795 320 K HN 0.393 nan 8.250 nan 0.000 0.459 321 S N 0.732 116.225 115.700 -0.345 0.000 2.348 321 S HA -0.076 4.394 4.470 -0.000 0.000 0.221 321 S C 1.618 176.079 174.600 -0.233 0.000 1.033 321 S CA 1.272 59.218 58.200 -0.424 0.000 1.010 321 S CB -0.365 62.396 63.200 -0.733 0.000 0.891 321 S HN 0.261 nan 8.310 nan 0.000 0.442 322 F N 0.704 120.546 119.950 -0.180 0.000 2.408 322 F HA -0.015 4.511 4.527 -0.000 0.000 0.300 322 F C 1.794 177.536 175.800 -0.098 0.000 1.090 322 F CA 0.608 58.535 58.000 -0.122 0.000 1.427 322 F CB -0.272 38.693 39.000 -0.059 0.000 1.070 322 F HN 0.215 nan 8.300 nan 0.000 0.549 323 F N 1.246 121.166 119.950 -0.051 0.000 2.098 323 F HA -0.124 4.403 4.527 -0.000 0.000 0.294 323 F C 2.304 178.003 175.800 -0.168 0.000 1.107 323 F CA 1.457 59.392 58.000 -0.110 0.000 1.234 323 F CB -0.562 38.370 39.000 -0.113 0.000 1.002 323 F HN -0.196 nan 8.300 nan 0.000 0.472 324 E N 0.872 120.856 120.200 -0.360 0.000 2.219 324 E HA -0.205 4.145 4.350 -0.000 0.000 0.198 324 E C 2.406 178.728 176.600 -0.463 0.000 0.998 324 E CA 1.268 57.406 56.400 -0.438 0.000 0.818 324 E CB -0.561 29.015 29.700 -0.206 0.000 0.741 324 E HN 0.502 nan 8.360 nan 0.000 0.477 325 L N 0.286 121.223 121.223 -0.476 0.000 2.095 325 L HA -0.099 4.241 4.340 -0.000 0.000 0.204 325 L C 2.473 179.150 176.870 -0.322 0.000 1.080 325 L CA 1.189 55.679 54.840 -0.584 0.000 0.759 325 L CB -0.507 41.085 42.059 -0.778 0.000 0.914 325 L HN 0.080 nan 8.230 nan 0.000 0.439 326 T N -0.599 113.784 114.554 -0.285 0.000 2.708 326 T HA -0.217 4.133 4.350 -0.000 0.000 0.266 326 T C 1.883 176.391 174.700 -0.320 0.000 1.037 326 T CA 1.588 63.563 62.100 -0.209 0.000 1.146 326 T CB -0.358 68.400 68.868 -0.184 0.000 0.865 326 T HN 0.171 nan 8.240 nan 0.000 0.435 327 V N 1.223 120.781 119.914 -0.593 0.000 2.407 327 V HA -0.080 4.040 4.120 -0.000 0.000 0.248 327 V C 2.231 178.162 176.094 -0.271 0.000 1.055 327 V CA 1.439 63.369 62.300 -0.617 0.000 1.049 327 V CB -0.485 30.805 31.823 -0.888 0.000 0.662 327 V HN 0.377 nan 8.190 nan 0.000 0.455 328 L N 0.780 121.869 121.223 -0.222 0.000 2.027 328 L HA -0.121 4.219 4.340 -0.000 0.000 0.206 328 L C 2.532 179.426 176.870 0.039 0.000 1.074 328 L CA 2.662 57.460 54.840 -0.070 0.000 0.745 328 L CB -0.973 41.043 42.059 -0.071 0.000 0.898 328 L HN 0.399 nan 8.230 nan 0.000 0.433 329 K N -0.726 119.736 120.400 0.103 0.000 2.113 329 K HA -0.225 4.095 4.320 -0.000 0.000 0.208 329 K C 1.653 178.267 176.600 0.023 0.000 1.047 329 K CA 1.906 58.270 56.287 0.128 0.000 0.928 329 K CB -0.229 32.367 32.500 0.160 0.000 0.716 329 K HN 0.449 nan 8.250 nan 0.000 0.446 330 D N 0.935 121.319 120.400 -0.028 0.000 2.084 330 D HA -0.181 4.459 4.640 -0.000 0.000 0.196 330 D C 1.970 178.242 176.300 -0.046 0.000 0.985 330 D CA 1.197 55.171 54.000 -0.043 0.000 0.826 330 D CB -0.207 40.554 40.800 -0.065 0.000 0.978 330 D HN 0.329 nan 8.370 nan 0.000 0.456 331 I N 0.918 121.459 120.570 -0.049 0.000 2.286 331 I HA -0.233 3.937 4.170 -0.000 0.000 0.248 331 I C 2.170 178.221 176.117 -0.110 0.000 1.115 331 I CA 0.916 62.169 61.300 -0.078 0.000 1.392 331 I CB 0.037 37.997 38.000 -0.067 0.000 1.065 331 I HN -0.099 nan 8.210 nan 0.000 0.418 332 I N 0.701 121.240 120.570 -0.051 0.000 2.361 332 I HA -0.206 3.964 4.170 -0.000 0.000 0.251 332 I C 2.421 178.529 176.117 -0.015 0.000 1.133 332 I CA 1.456 62.746 61.300 -0.017 0.000 1.413 332 I CB -0.718 37.324 38.000 0.070 0.000 1.073 332 I HN 0.342 nan 8.210 nan 0.000 0.424 333 G N 0.648 109.435 108.800 -0.022 0.000 2.441 333 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.212 333 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.212 333 G C 1.658 176.534 174.900 -0.039 0.000 1.164 333 G CA 0.108 45.202 45.100 -0.010 0.000 0.811 333 G HN 0.265 nan 8.290 nan 0.000 0.535 334 I N 0.226 120.752 120.570 -0.074 0.000 2.286 334 I HA -0.170 4.000 4.170 -0.000 0.000 0.248 334 I C 2.829 178.873 176.117 -0.123 0.000 1.115 334 I CA 0.546 61.792 61.300 -0.090 0.000 1.392 334 I CB -0.292 37.648 38.000 -0.101 0.000 1.065 334 I HN 0.317 nan 8.210 nan 0.000 0.418 335 c N 0.142 118.613 118.600 -0.215 0.000 2.675 335 c HA -0.072 4.498 4.570 -0.000 0.000 0.285 335 c C 1.091 175.040 174.090 -0.235 0.000 1.282 335 c CA 0.196 56.308 56.329 -0.362 0.000 1.708 335 c CB -0.549 41.516 42.510 -0.741 0.000 2.134 335 c HN 0.268 nan 8.230 nan 0.000 0.494 336 Y N -0.079 120.225 120.300 0.007 0.000 2.419 336 Y HA 0.470 5.020 4.550 -0.000 0.000 0.328 336 Y C 1.128 177.036 175.900 0.014 0.000 1.162 336 Y CA -0.693 57.419 58.100 0.020 0.000 1.174 336 Y CB 0.215 38.703 38.460 0.046 0.000 1.228 336 Y HN 0.295 nan 8.280 nan 0.000 0.473 337 G N 0.775 109.685 108.800 0.183 0.000 3.356 337 G HA2 0.354 4.314 3.960 -0.000 0.000 0.239 337 G HA3 0.354 4.314 3.960 -0.000 0.000 0.239 337 G C 0.188 175.142 174.900 0.090 0.000 1.252 337 G CA 0.069 45.226 45.100 0.095 0.000 1.611 337 G HN 0.752 nan 8.290 nan 0.000 0.580 338 A N 0.387 123.283 122.820 0.127 0.000 2.322 338 A HA 0.768 5.088 4.320 -0.000 0.000 0.269 338 A C 0.470 178.080 177.584 0.043 0.000 1.094 338 A CA -0.107 51.989 52.037 0.098 0.000 0.807 338 A CB 0.828 19.927 19.000 0.165 0.000 1.047 338 A HN 0.286 nan 8.150 nan 0.000 0.487 339 T N 0.235 114.799 114.554 0.017 0.000 2.916 339 T HA 0.635 4.985 4.350 -0.000 0.000 0.292 339 T C -0.798 173.882 174.700 -0.034 0.000 1.055 339 T CA -0.500 61.601 62.100 0.001 0.000 1.009 339 T CB 1.636 70.514 68.868 0.017 0.000 1.118 339 T HN 0.604 nan 8.240 nan 0.000 0.497 340 V N 2.190 122.060 119.914 -0.074 0.000 2.686 340 V HA 0.751 4.871 4.120 -0.000 0.000 0.306 340 V C -0.762 175.247 176.094 -0.141 0.000 1.065 340 V CA -1.011 61.182 62.300 -0.178 0.000 0.894 340 V CB 1.833 33.456 31.823 -0.332 0.000 1.004 340 V HN 1.012 nan 8.190 nan 0.000 0.424 341 K N 2.300 122.564 120.400 -0.226 0.000 2.557 341 K HA 0.725 5.045 4.320 -0.000 0.000 0.257 341 K C 0.150 176.637 176.600 -0.189 0.000 0.933 341 K CA -0.149 56.024 56.287 -0.190 0.000 0.820 341 K CB 2.068 34.354 32.500 -0.357 0.000 1.330 341 K HN 1.368 nan 8.250 nan 0.000 0.432 342 G N 1.954 110.831 108.800 0.129 0.000 2.148 342 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.203 342 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.203 342 G C 0.031 174.852 174.900 -0.131 0.000 0.993 342 G CA 0.150 45.327 45.100 0.128 0.000 0.661 342 G HN 0.467 nan 8.290 nan 0.000 0.518 343 M N 0.305 119.894 119.600 -0.018 0.000 2.848 343 M HA 0.377 4.857 4.480 -0.000 0.000 0.420 343 M C 0.170 176.597 176.300 0.213 0.000 1.304 343 M CA -0.011 55.304 55.300 0.025 0.000 0.844 343 M CB 0.638 33.326 32.600 0.146 0.000 1.451 343 M HN 0.436 nan 8.290 nan 0.000 0.511 344 Q N 0.236 120.160 119.800 0.207 0.000 2.387 344 Q HA 0.614 4.954 4.340 -0.000 0.000 0.273 344 Q C -0.907 175.192 176.000 0.164 0.000 1.089 344 Q CA -0.278 55.681 55.803 0.260 0.000 0.824 344 Q CB 2.694 31.546 28.738 0.190 0.000 1.367 344 Q HN 0.182 nan 8.270 nan 0.000 0.443 345 S N 1.478 117.229 115.700 0.084 0.000 2.672 345 S HA 0.222 4.692 4.470 -0.000 0.000 0.291 345 S C -0.027 174.519 174.600 -0.090 0.000 1.145 345 S CA -0.594 57.572 58.200 -0.056 0.000 1.013 345 S CB 0.495 63.599 63.200 -0.159 0.000 1.017 345 S HN 0.743 nan 8.310 nan 0.000 0.487 346 Y N 3.603 123.856 120.300 -0.079 0.000 2.421 346 Y HA 0.256 4.806 4.550 -0.000 0.000 0.292 346 Y C 1.747 177.598 175.900 -0.082 0.000 1.136 346 Y CA 1.045 59.098 58.100 -0.078 0.000 1.255 346 Y CB -0.840 37.566 38.460 -0.091 0.000 0.991 346 Y HN 0.631 nan 8.280 nan 0.000 0.552 347 G N 1.769 110.184 108.800 -0.641 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 1.467 176.229 174.900 -0.230 0.000 1.218 347 G CA 1.096 45.929 45.100 -0.445 0.000 0.794 347 G HN 0.446 nan 8.290 nan 0.000 0.542 348 L N 0.942 122.008 121.223 -0.263 0.000 2.129 348 L HA -0.099 4.241 4.340 -0.000 0.000 0.212 348 L C 2.571 179.341 176.870 -0.166 0.000 1.087 348 L CA 2.176 56.870 54.840 -0.242 0.000 0.757 348 L CB -0.484 41.322 42.059 -0.423 0.000 0.896 348 L HN 0.421 nan 8.230 nan 0.000 0.434 349 E N -0.873 119.252 120.200 -0.125 0.000 2.046 349 E HA -0.198 4.152 4.350 -0.000 0.000 0.190 349 E C 2.337 178.920 176.600 -0.028 0.000 0.982 349 E CA 0.962 57.331 56.400 -0.052 0.000 0.800 349 E CB -0.157 29.542 29.700 -0.001 0.000 0.756 349 E HN 0.482 nan 8.360 nan 0.000 0.449 350 R N 0.532 121.024 120.500 -0.014 0.000 2.081 350 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 350 R C 2.480 178.771 176.300 -0.014 0.000 1.131 350 R CA 0.782 56.884 56.100 0.003 0.000 0.960 350 R CB -0.263 30.058 30.300 0.035 0.000 0.856 350 R HN 0.097 nan 8.270 nan 0.000 0.436 351 L N 0.422 121.625 121.223 -0.034 0.000 1.976 351 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 351 L C 2.248 179.101 176.870 -0.028 0.000 1.071 351 L CA 2.201 57.025 54.840 -0.027 0.000 0.746 351 L CB -0.649 41.385 42.059 -0.042 0.000 0.890 351 L HN 0.148 nan 8.230 nan 0.000 0.432 352 A N -0.420 122.370 122.820 -0.049 0.000 1.908 352 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 352 A C 2.453 180.010 177.584 -0.044 0.000 1.181 352 A CA 2.207 54.208 52.037 -0.060 0.000 0.627 352 A CB -1.354 17.600 19.000 -0.077 0.000 0.818 352 A HN 0.641 nan 8.150 nan 0.000 0.445 353 A N -0.523 122.278 122.820 -0.031 0.000 1.865 353 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 353 A C 2.311 179.884 177.584 -0.019 0.000 1.191 353 A CA 2.026 54.047 52.037 -0.026 0.000 0.623 353 A CB -0.606 18.379 19.000 -0.025 0.000 0.826 353 A HN 0.544 nan 8.150 nan 0.000 0.444 354 M N -1.084 118.509 119.600 -0.010 0.000 2.080 354 M HA -0.127 4.353 4.480 -0.000 0.000 0.260 354 M C 2.360 178.661 176.300 0.001 0.000 1.068 354 M CA 1.748 57.048 55.300 -0.000 0.000 1.109 354 M CB -0.544 32.062 32.600 0.010 0.000 1.342 354 M HN 0.539 nan 8.290 nan 0.000 0.405 355 L N 0.255 121.478 121.223 -0.001 0.000 2.013 355 L HA -0.289 4.051 4.340 -0.000 0.000 0.212 355 L C 2.587 179.457 176.870 0.001 0.000 1.073 355 L CA 1.413 56.257 54.840 0.007 0.000 0.753 355 L CB -0.186 41.878 42.059 0.007 0.000 0.890 355 L HN 0.310 nan 8.230 nan 0.000 0.432 356 M N -0.430 119.160 119.600 -0.016 0.000 2.108 356 M HA -0.165 4.315 4.480 -0.000 0.000 0.261 356 M C 2.441 178.741 176.300 -0.001 0.000 1.066 356 M CA 1.833 57.123 55.300 -0.016 0.000 1.107 356 M CB -1.623 30.960 32.600 -0.028 0.000 1.356 356 M HN 0.439 nan 8.290 nan 0.000 0.406 357 A N -0.172 122.647 122.820 -0.001 0.000 2.186 357 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 357 A C 1.489 179.079 177.584 0.010 0.000 1.159 357 A CA 1.776 53.816 52.037 0.005 0.000 0.680 357 A CB -1.099 17.903 19.000 0.003 0.000 0.787 357 A HN 0.593 nan 8.150 nan 0.000 0.467 358 T N -2.701 111.860 114.554 0.012 0.000 3.255 358 T HA 0.539 4.889 4.350 -0.000 0.000 0.243 358 T C -0.536 174.176 174.700 0.021 0.000 1.057 358 T CA -0.229 61.880 62.100 0.015 0.000 1.121 358 T CB -0.126 68.751 68.868 0.015 0.000 1.104 358 T HN 0.503 nan 8.240 nan 0.000 0.571 359 V N 0.401 120.328 119.914 0.022 0.000 3.000 359 V HA 0.564 4.684 4.120 -0.000 0.000 0.300 359 V C -1.259 174.852 176.094 0.029 0.000 1.251 359 V CA -1.090 61.227 62.300 0.027 0.000 0.972 359 V CB 2.363 34.204 31.823 0.030 0.000 1.065 359 V HN 0.386 nan 8.190 nan 0.000 0.431 360 K N 5.581 126.001 120.400 0.034 0.000 2.021 360 K HA 0.196 4.516 4.320 -0.000 0.000 0.238 360 K C 1.149 177.774 176.600 0.041 0.000 1.149 360 K CA 0.205 56.515 56.287 0.039 0.000 1.105 360 K CB -0.008 32.519 32.500 0.045 0.000 1.246 360 K HN 0.592 nan 8.250 nan 0.000 0.307 361 M N 0.554 120.175 119.600 0.036 0.000 2.086 361 M HA -0.159 4.321 4.480 -0.000 0.000 0.261 361 M C 1.432 177.754 176.300 0.036 0.000 1.067 361 M CA 1.603 56.922 55.300 0.033 0.000 1.116 361 M CB -0.536 32.083 32.600 0.032 0.000 1.348 361 M HN 0.616 nan 8.290 nan 0.000 0.407 362 E N 0.146 120.372 120.200 0.043 0.000 2.510 362 E HA -0.170 4.180 4.350 -0.000 0.000 0.202 362 E C 0.930 177.563 176.600 0.055 0.000 1.072 362 E CA 0.545 56.973 56.400 0.047 0.000 0.883 362 E CB 0.166 29.898 29.700 0.053 0.000 0.818 362 E HN 0.473 nan 8.360 nan 0.000 0.548 363 E N -0.282 119.956 120.200 0.064 0.000 2.810 363 E HA 0.069 4.419 4.350 -0.000 0.000 0.214 363 E C 1.293 177.932 176.600 0.065 0.000 0.980 363 E CA -0.178 56.293 56.400 0.119 0.000 1.159 363 E CB 0.349 30.147 29.700 0.163 0.000 1.047 363 E HN 0.248 nan 8.360 nan 0.000 0.484 364 L N -0.080 121.153 121.223 0.016 0.000 2.083 364 L HA -0.022 4.318 4.340 -0.000 0.000 0.209 364 L C 2.090 178.945 176.870 -0.025 0.000 1.083 364 L CA 1.696 56.541 54.840 0.010 0.000 0.752 364 L CB -0.160 41.903 42.059 0.007 0.000 0.899 364 L HN 0.315 nan 8.230 nan 0.000 0.433 365 G N -1.688 107.047 108.800 -0.109 0.000 2.448 365 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.219 365 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.219 365 G C 1.169 175.969 174.900 -0.166 0.000 1.127 365 G CA 0.447 45.446 45.100 -0.167 0.000 0.766 365 G HN 0.490 nan 8.290 nan 0.000 0.552 366 H N -0.847 118.233 119.070 0.017 0.000 2.547 366 H HA 0.200 4.756 4.556 -0.000 0.000 0.266 366 H C 0.911 176.246 175.328 0.012 0.000 0.988 366 H CA -0.260 55.795 56.048 0.012 0.000 1.147 366 H CB 0.138 29.905 29.762 0.009 0.000 1.365 366 H HN 0.230 nan 8.280 nan 0.000 0.589 367 L N 1.098 122.377 121.223 0.093 0.000 2.567 367 L HA 0.162 4.502 4.340 -0.000 0.000 0.238 367 L C 1.189 178.088 176.870 0.048 0.000 1.168 367 L CA -0.327 54.553 54.840 0.066 0.000 0.817 367 L CB 0.838 42.929 42.059 0.053 0.000 1.409 367 L HN 0.151 nan 8.230 nan 0.000 0.502 368 T N -2.460 112.117 114.554 0.039 0.000 2.754 368 T HA 0.176 4.526 4.350 -0.000 0.000 0.286 368 T C 1.046 175.761 174.700 0.026 0.000 0.997 368 T CA 0.248 62.366 62.100 0.030 0.000 0.982 368 T CB 0.461 69.342 68.868 0.023 0.000 1.027 368 T HN 0.651 nan 8.240 nan 0.000 0.529 369 T N 0.231 114.798 114.554 0.022 0.000 2.639 369 T HA -0.082 4.268 4.350 -0.000 0.000 0.261 369 T C 1.780 176.493 174.700 0.020 0.000 1.053 369 T CA 1.382 63.493 62.100 0.019 0.000 1.158 369 T CB -0.541 68.338 68.868 0.019 0.000 0.863 369 T HN 0.830 nan 8.240 nan 0.000 0.413 370 E N 0.825 121.036 120.200 0.020 0.000 2.097 370 E HA -0.239 4.111 4.350 -0.000 0.000 0.196 370 E C 2.063 178.688 176.600 0.042 0.000 1.000 370 E CA 1.133 57.546 56.400 0.022 0.000 0.804 370 E CB 0.028 29.732 29.700 0.007 0.000 0.740 370 E HN 0.194 nan 8.360 nan 0.000 0.454 371 K N 0.353 120.777 120.400 0.040 0.000 2.148 371 K HA -0.139 4.181 4.320 -0.000 0.000 0.204 371 K C 2.149 178.806 176.600 0.096 0.000 1.050 371 K CA 0.856 57.188 56.287 0.075 0.000 0.942 371 K CB -0.276 32.255 32.500 0.052 0.000 0.724 371 K HN 0.282 nan 8.250 nan 0.000 0.446 372 Q N 0.972 120.801 119.800 0.050 0.000 2.050 372 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 372 Q C 1.784 177.784 176.000 -0.001 0.000 0.980 372 Q CA 1.456 57.272 55.803 0.022 0.000 0.840 372 Q CB 0.191 28.933 28.738 0.007 0.000 0.898 372 Q HN 0.344 nan 8.270 nan 0.000 0.424 373 E N -0.461 119.739 120.200 -0.000 0.000 2.007 373 E HA -0.249 4.101 4.350 -0.000 0.000 0.194 373 E C 1.810 178.377 176.600 -0.056 0.000 0.999 373 E CA 1.331 57.700 56.400 -0.052 0.000 0.811 373 E CB -0.437 29.244 29.700 -0.031 0.000 0.762 373 E HN 0.380 nan 8.360 nan 0.000 0.450 374 Y N 1.591 121.833 120.300 -0.097 0.000 2.132 374 Y HA -0.364 4.186 4.550 -0.000 0.000 0.280 374 Y C 2.089 177.939 175.900 -0.084 0.000 1.193 374 Y CA 1.663 59.712 58.100 -0.085 0.000 1.157 374 Y CB -0.521 37.914 38.460 -0.042 0.000 0.966 374 Y HN 0.057 nan 8.280 nan 0.000 0.511 375 A N -0.048 122.736 122.820 -0.061 0.000 1.828 375 A HA -0.181 4.139 4.320 -0.000 0.000 0.215 375 A C 2.120 179.595 177.584 -0.182 0.000 1.203 375 A CA 1.965 53.928 52.037 -0.125 0.000 0.614 375 A CB -1.323 17.669 19.000 -0.013 0.000 0.844 375 A HN 0.423 nan 8.150 nan 0.000 0.445 376 L N -0.319 120.818 121.223 -0.142 0.000 2.042 376 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 376 L C 2.587 179.305 176.870 -0.255 0.000 1.076 376 L CA 1.937 56.683 54.840 -0.157 0.000 0.749 376 L CB -0.808 41.167 42.059 -0.141 0.000 0.893 376 L HN 0.407 nan 8.230 nan 0.000 0.432 377 R N -0.197 120.084 120.500 -0.365 0.000 2.122 377 R HA -0.237 4.103 4.340 -0.000 0.000 0.236 377 R C 2.276 178.368 176.300 -0.347 0.000 1.129 377 R CA 2.397 58.166 56.100 -0.551 0.000 0.925 377 R CB -0.638 29.373 30.300 -0.481 0.000 0.850 377 R HN 0.426 nan 8.270 nan 0.000 0.431 378 L N -1.381 119.639 121.223 -0.338 0.000 2.275 378 L HA 0.122 4.462 4.340 -0.000 0.000 0.215 378 L C 2.147 178.930 176.870 -0.144 0.000 1.119 378 L CA 1.815 56.505 54.840 -0.251 0.000 0.790 378 L CB -0.498 41.316 42.059 -0.407 0.000 0.919 378 L HN 0.064 nan 8.230 nan 0.000 0.443 379 A N 0.020 122.756 122.820 -0.140 0.000 1.972 379 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 379 A C 2.282 179.885 177.584 0.031 0.000 1.169 379 A CA 2.193 54.202 52.037 -0.048 0.000 0.635 379 A CB -1.163 17.810 19.000 -0.045 0.000 0.810 379 A HN 0.562 nan 8.150 nan 0.000 0.446 380 T N -0.521 114.041 114.554 0.013 0.000 2.851 380 T HA -0.058 4.292 4.350 -0.000 0.000 0.262 380 T C 1.878 176.634 174.700 0.095 0.000 1.043 380 T CA 1.393 63.535 62.100 0.070 0.000 1.140 380 T CB -0.315 68.640 68.868 0.146 0.000 0.872 380 T HN 0.184 nan 8.240 nan 0.000 0.446 381 V N 1.348 121.309 119.914 0.078 0.000 2.407 381 V HA -0.045 4.075 4.120 -0.000 0.000 0.248 381 V C 2.703 178.828 176.094 0.051 0.000 1.055 381 V CA 1.976 64.316 62.300 0.068 0.000 1.049 381 V CB -1.069 30.775 31.823 0.035 0.000 0.662 381 V HN 0.589 nan 8.190 nan 0.000 0.455 382 G N -2.328 106.495 108.800 0.037 0.000 2.939 382 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.210 382 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.210 382 G C 1.273 176.212 174.900 0.065 0.000 1.160 382 G CA 0.197 45.314 45.100 0.028 0.000 0.770 382 G HN 0.491 nan 8.290 nan 0.000 0.543 383 Y N 2.652 122.940 120.300 -0.019 0.000 2.096 383 Y HA -0.190 4.360 4.550 -0.000 0.000 0.278 383 Y C 0.118 176.013 175.900 -0.010 0.000 1.192 383 Y CA 2.281 60.371 58.100 -0.016 0.000 1.143 383 Y CB -0.887 37.564 38.460 -0.016 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 1.438 178.740 177.300 0.004 0.000 1.193 384 P CA 1.946 65.118 63.100 0.119 0.000 0.929 384 P CB -0.087 31.692 31.700 0.131 0.000 0.772 385 K N -0.607 119.804 120.400 0.019 0.000 2.228 385 K HA -0.062 4.258 4.320 -0.000 0.000 0.205 385 K C 0.803 177.387 176.600 -0.026 0.000 1.045 385 K CA 1.243 57.533 56.287 0.005 0.000 0.931 385 K CB -0.499 32.021 32.500 0.034 0.000 0.727 385 K HN 0.225 nan 8.250 nan 0.000 0.458 386 A N -2.399 120.386 122.820 -0.059 0.000 2.601 386 A HA 0.554 4.874 4.320 -0.000 0.000 0.291 386 A C -0.215 177.285 177.584 -0.141 0.000 1.075 386 A CA 0.020 52.011 52.037 -0.076 0.000 0.671 386 A CB 1.379 20.356 19.000 -0.038 0.000 1.277 386 A HN 0.168 nan 8.150 nan 0.000 0.417 387 G N -0.713 108.013 108.800 -0.124 0.000 2.327 387 G HA2 0.068 4.028 3.960 -0.000 0.000 0.159 387 G HA3 0.068 4.028 3.960 -0.000 0.000 0.159 387 G C 0.337 175.108 174.900 -0.214 0.000 1.056 387 G CA 0.227 45.232 45.100 -0.157 0.000 0.751 387 G HN 1.537 nan 8.290 nan 0.000 0.488 388 V N -1.174 118.661 119.914 -0.132 0.000 3.306 388 V HA 0.133 4.253 4.120 -0.000 0.000 0.264 388 V C 1.350 177.341 176.094 -0.173 0.000 1.149 388 V CA 1.596 63.804 62.300 -0.153 0.000 1.143 388 V CB -0.329 31.452 31.823 -0.069 0.000 0.767 388 V HN 0.524 nan 8.190 nan 0.000 0.476 389 Y N -0.653 119.600 120.300 -0.079 0.000 2.809 389 Y HA 0.425 4.975 4.550 -0.000 0.000 0.251 389 Y C 0.887 176.761 175.900 -0.044 0.000 1.136 389 Y CA -0.490 57.580 58.100 -0.050 0.000 1.185 389 Y CB 0.918 39.357 38.460 -0.035 0.000 1.260 389 Y HN 0.104 nan 8.280 nan 0.000 0.576 390 S N -0.363 115.368 115.700 0.051 0.000 2.554 390 S HA 0.486 4.956 4.470 -0.000 0.000 0.278 390 S C 1.072 175.683 174.600 0.019 0.000 1.242 390 S CA -0.127 58.091 58.200 0.031 0.000 1.051 390 S CB 0.894 64.089 63.200 -0.010 0.000 0.986 390 S HN 0.531 nan 8.310 nan 0.000 0.502 391 G N 4.505 113.325 108.800 0.034 0.000 3.263 391 G HA2 0.175 4.135 3.960 -0.000 0.000 0.246 391 G HA3 0.175 4.135 3.960 -0.000 0.000 0.246 391 G C 0.826 175.745 174.900 0.031 0.000 0.982 391 G CA -0.165 44.955 45.100 0.035 0.000 1.897 391 G HN 0.756 nan 8.290 nan 0.000 0.624 392 L N -0.172 121.068 121.223 0.028 0.000 2.005 392 L HA -0.069 4.271 4.340 -0.000 0.000 0.207 392 L C 2.610 179.515 176.870 0.058 0.000 1.072 392 L CA 0.859 55.728 54.840 0.047 0.000 0.744 392 L CB -0.208 41.899 42.059 0.081 0.000 0.895 392 L HN 0.313 nan 8.230 nan 0.000 0.433 393 I N 0.086 120.694 120.570 0.063 0.000 2.335 393 I HA -0.201 3.969 4.170 -0.000 0.000 0.251 393 I C 2.535 178.689 176.117 0.060 0.000 1.129 393 I CA 1.474 62.802 61.300 0.046 0.000 1.402 393 I CB -1.223 36.794 38.000 0.028 0.000 1.069 393 I HN 0.196 nan 8.210 nan 0.000 0.424 394 G N 0.525 109.358 108.800 0.055 0.000 2.421 394 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.216 394 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.216 394 G C 1.856 176.794 174.900 0.064 0.000 1.171 394 G CA 0.806 45.943 45.100 0.062 0.000 0.775 394 G HN 0.500 nan 8.290 nan 0.000 0.543 395 G N 1.122 109.952 108.800 0.050 0.000 2.440 395 G HA2 0.015 3.975 3.960 -0.000 0.000 0.218 395 G HA3 0.015 3.975 3.960 -0.000 0.000 0.218 395 G C 2.050 176.983 174.900 0.055 0.000 1.154 395 G CA 1.552 46.676 45.100 0.039 0.000 0.767 395 G HN 0.686 nan 8.290 nan 0.000 0.552 396 A N 0.092 122.959 122.820 0.079 0.000 2.019 396 A HA 0.007 4.327 4.320 -0.000 0.000 0.219 396 A C 2.506 180.246 177.584 0.259 0.000 1.164 396 A CA 2.408 54.529 52.037 0.140 0.000 0.644 396 A CB -0.652 18.404 19.000 0.094 0.000 0.805 396 A HN 0.325 nan 8.150 nan 0.000 0.449 397 T N -0.620 114.063 114.554 0.215 0.000 2.809 397 T HA -0.059 4.291 4.350 -0.000 0.000 0.260 397 T C 2.283 177.021 174.700 0.064 0.000 1.039 397 T CA 1.398 63.614 62.100 0.192 0.000 1.141 397 T CB -0.310 68.659 68.868 0.169 0.000 0.869 397 T HN 0.451 nan 8.240 nan 0.000 0.437 398 S N 0.961 116.686 115.700 0.041 0.000 2.365 398 S HA -0.127 4.343 4.470 -0.000 0.000 0.225 398 S C 2.244 176.815 174.600 -0.049 0.000 1.039 398 S CA 1.187 59.375 58.200 -0.020 0.000 1.033 398 S CB -0.726 62.455 63.200 -0.031 0.000 0.887 398 S HN 0.316 nan 8.310 nan 0.000 0.447 399 V N 1.864 121.766 119.914 -0.019 0.000 2.343 399 V HA -0.124 3.996 4.120 -0.000 0.000 0.247 399 V C 2.078 178.158 176.094 -0.023 0.000 1.051 399 V CA 1.871 64.157 62.300 -0.024 0.000 1.036 399 V CB -0.421 31.400 31.823 -0.003 0.000 0.654 399 V HN 0.471 nan 8.190 nan 0.000 0.451 400 L N -0.160 121.046 121.223 -0.028 0.000 2.027 400 L HA -0.059 4.281 4.340 -0.000 0.000 0.206 400 L C 2.223 179.067 176.870 -0.042 0.000 1.074 400 L CA 2.447 57.231 54.840 -0.092 0.000 0.745 400 L CB -1.039 40.821 42.059 -0.331 0.000 0.898 400 L HN 0.388 nan 8.230 nan 0.000 0.433 401 L N -0.515 120.693 121.223 -0.025 0.000 2.021 401 L HA -0.250 4.090 4.340 -0.000 0.000 0.215 401 L C 2.536 179.429 176.870 0.037 0.000 1.074 401 L CA 2.287 57.149 54.840 0.038 0.000 0.760 401 L CB -1.051 41.020 42.059 0.019 0.000 0.889 401 L HN 0.389 nan 8.230 nan 0.000 0.433 402 S N -0.330 115.358 115.700 -0.020 0.000 2.359 402 S HA -0.228 4.242 4.470 -0.000 0.000 0.224 402 S C 2.097 176.716 174.600 0.031 0.000 1.035 402 S CA 1.270 59.455 58.200 -0.025 0.000 1.018 402 S CB -0.792 62.368 63.200 -0.066 0.000 0.876 402 S HN 0.704 nan 8.310 nan 0.000 0.448 403 A N 1.001 123.851 122.820 0.050 0.000 1.892 403 A HA -0.199 4.121 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 2.018 54.113 52.037 0.096 0.000 0.631 403 A CB -1.117 17.916 19.000 0.055 0.000 0.822 403 A HN 0.568 nan 8.150 nan 0.000 0.447 404 Y N 1.418 121.722 120.300 0.007 0.000 2.114 404 Y HA -0.216 4.334 4.550 -0.000 0.000 0.284 404 Y C 2.123 178.039 175.900 0.027 0.000 1.143 404 Y CA 1.720 59.831 58.100 0.019 0.000 1.135 404 Y CB -1.087 37.372 38.460 -0.003 0.000 0.980 404 Y HN 0.496 nan 8.280 nan 0.000 0.499 405 N N -0.265 118.367 118.700 -0.113 0.000 2.192 405 N HA -0.217 4.523 4.740 -0.000 0.000 0.188 405 N C 1.957 177.374 175.510 -0.155 0.000 1.013 405 N CA 0.806 53.715 53.050 -0.234 0.000 0.863 405 N CB -0.254 38.152 38.487 -0.135 0.000 0.990 405 N HN 0.271 nan 8.380 nan 0.000 0.430 406 R N 0.320 120.782 120.500 -0.063 0.000 2.276 406 R HA 0.037 4.377 4.340 -0.000 0.000 0.203 406 R C -0.186 175.933 176.300 -0.302 0.000 1.017 406 R CA 0.684 56.704 56.100 -0.133 0.000 1.010 406 R CB 0.171 30.430 30.300 -0.069 0.000 0.900 406 R HN 0.340 nan 8.270 nan 0.000 0.469 407 H N -1.627 117.436 119.070 -0.011 0.000 2.941 407 H HA 0.293 4.849 4.556 -0.000 0.000 0.344 407 H C -2.365 172.993 175.328 0.051 0.000 1.235 407 H CA -1.720 54.347 56.048 0.031 0.000 1.149 407 H CB 2.243 32.036 29.762 0.052 0.000 1.885 407 H HN -0.108 nan 8.280 nan 0.000 0.558 408 P HA 0.210 nan 4.420 nan 0.000 0.208 408 P C -0.883 176.576 177.300 0.265 0.000 1.863 408 P CA -0.271 62.942 63.100 0.189 0.000 1.037 408 P CB -0.373 31.416 31.700 0.148 0.000 1.881 409 L N 0.436 121.864 121.223 0.341 0.000 3.601 409 L HA -0.229 4.111 4.340 -0.000 0.000 0.469 409 L C -0.270 176.770 176.870 0.284 0.000 1.294 409 L CA 0.748 55.756 54.840 0.280 0.000 0.829 409 L CB -2.630 39.563 42.059 0.223 0.000 1.628 409 L HN 0.333 nan 8.230 nan 0.000 0.868 410 F N -0.324 119.659 119.950 0.054 0.000 2.637 410 F HA 0.359 4.886 4.527 -0.000 0.000 0.316 410 F C -1.120 174.623 175.800 -0.094 0.000 1.023 410 F CA -0.660 57.325 58.000 -0.026 0.000 1.071 410 F CB 0.852 39.841 39.000 -0.019 0.000 1.319 410 F HN 0.014 nan 8.300 nan 0.000 0.541 411 Q N 6.186 125.472 119.800 -0.857 0.000 2.245 411 Q HA 0.458 4.798 4.340 -0.000 0.000 0.256 411 Q C -2.553 172.733 176.000 -1.190 0.000 0.942 411 Q CA -2.092 53.207 55.803 -0.840 0.000 0.896 411 Q CB 1.596 30.089 28.738 -0.409 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 0.845 177.899 177.300 -0.409 0.000 1.173 412 P CA 0.325 63.115 63.100 -0.516 0.000 0.760 412 P CB 0.494 32.038 31.700 -0.259 0.000 0.783 413 L N 2.692 123.744 121.223 -0.285 0.000 2.137 413 L HA -0.207 4.133 4.340 -0.000 0.000 0.213 413 L C 0.907 177.468 176.870 -0.516 0.000 1.085 413 L CA 1.569 56.221 54.840 -0.315 0.000 0.760 413 L CB -0.290 41.653 42.059 -0.192 0.000 0.893 413 L HN 0.571 nan 8.230 nan 0.000 0.434 414 H N -1.592 117.452 119.070 -0.044 0.000 2.616 414 H HA 0.197 4.753 4.556 -0.000 0.000 0.229 414 H C -0.326 174.984 175.328 -0.030 0.000 1.418 414 H CA -0.141 55.893 56.048 -0.024 0.000 1.248 414 H CB 0.647 30.407 29.762 -0.003 0.000 1.822 414 H HN -0.036 nan 8.280 nan 0.000 0.522 415 T N -0.489 114.072 114.554 0.012 0.000 2.922 415 T HA 0.148 4.498 4.350 -0.000 0.000 0.285 415 T C 1.521 176.229 174.700 0.014 0.000 1.005 415 T CA -0.256 61.843 62.100 -0.002 0.000 1.061 415 T CB 1.757 70.585 68.868 -0.068 0.000 1.007 415 T HN 0.177 nan 8.240 nan 0.000 0.502 416 V N 5.023 124.949 119.914 0.020 0.000 2.490 416 V HA -0.067 4.053 4.120 -0.000 0.000 0.250 416 V C 2.189 178.288 176.094 0.009 0.000 1.061 416 V CA 2.510 64.823 62.300 0.022 0.000 1.064 416 V CB -0.687 31.150 31.823 0.023 0.000 0.670 416 V HN 0.993 nan 8.190 nan 0.000 0.461 417 M N -0.524 119.074 119.600 -0.003 0.000 2.349 417 M HA -0.084 4.396 4.480 -0.000 0.000 0.266 417 M C 2.192 178.474 176.300 -0.030 0.000 1.076 417 M CA 1.818 57.110 55.300 -0.014 0.000 1.126 417 M CB -0.184 32.411 32.600 -0.008 0.000 1.392 417 M HN 0.337 nan 8.290 nan 0.000 0.440 418 R N 0.586 121.067 120.500 -0.031 0.000 2.083 418 R HA -0.248 4.092 4.340 -0.000 0.000 0.237 418 R C 1.926 178.198 176.300 -0.046 0.000 1.137 418 R CA 2.258 58.349 56.100 -0.014 0.000 0.951 418 R CB -0.367 29.926 30.300 -0.011 0.000 0.851 418 R HN 0.422 nan 8.270 nan 0.000 0.434 419 E N -0.569 119.627 120.200 -0.007 0.000 2.160 419 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 419 E C 1.480 178.080 176.600 0.000 0.000 0.991 419 E CA 2.209 58.631 56.400 0.036 0.000 0.810 419 E CB -0.256 29.483 29.700 0.065 0.000 0.742 419 E HN 0.424 nan 8.360 nan 0.000 0.466 420 T N 0.547 115.070 114.554 -0.053 0.000 2.643 420 T HA -0.130 4.220 4.350 -0.000 0.000 0.264 420 T C 1.669 176.278 174.700 -0.152 0.000 1.045 420 T CA 1.443 63.490 62.100 -0.087 0.000 1.155 420 T CB -0.373 68.462 68.868 -0.055 0.000 0.863 420 T HN 0.088 nan 8.240 nan 0.000 0.420 421 L N 0.585 121.700 121.223 -0.180 0.000 2.189 421 L HA -0.033 4.307 4.340 -0.000 0.000 0.214 421 L C 2.063 178.595 176.870 -0.564 0.000 1.097 421 L CA 1.336 56.047 54.840 -0.216 0.000 0.764 421 L CB -0.962 41.063 42.059 -0.057 0.000 0.900 421 L HN 0.227 nan 8.230 nan 0.000 0.436 422 F N 0.199 119.486 119.950 -1.106 0.000 2.113 422 F HA -0.158 4.368 4.527 -0.000 0.000 0.297 422 F C 2.259 177.843 175.800 -0.361 0.000 1.103 422 F CA 1.320 58.620 58.000 -1.168 0.000 1.248 422 F CB -0.314 38.231 39.000 -0.759 0.000 0.999 422 F HN -0.022 nan 8.300 nan 0.000 0.475 423 I N 0.322 120.655 120.570 -0.395 0.000 2.226 423 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 423 I C 2.726 178.717 176.117 -0.211 0.000 1.100 423 I CA 1.411 62.529 61.300 -0.304 0.000 1.374 423 I CB -1.392 36.334 38.000 -0.457 0.000 1.057 423 I HN 0.319 nan 8.210 nan 0.000 0.413 424 G N 0.662 109.349 108.800 -0.189 0.000 2.402 424 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.216 424 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.216 424 G C 1.815 176.648 174.900 -0.111 0.000 1.162 424 G CA 0.952 46.000 45.100 -0.087 0.000 0.777 424 G HN 0.495 nan 8.290 nan 0.000 0.539 425 S N 0.469 116.091 115.700 -0.131 0.000 2.392 425 S HA -0.279 4.191 4.470 -0.000 0.000 0.232 425 S C 2.091 176.544 174.600 -0.244 0.000 1.041 425 S CA 1.788 59.896 58.200 -0.153 0.000 1.026 425 S CB -0.835 62.402 63.200 0.062 0.000 0.845 425 S HN 0.519 nan 8.310 nan 0.000 0.465 426 H N 0.449 119.419 119.070 -0.168 0.000 2.290 426 H HA -0.017 4.539 4.556 -0.000 0.000 0.298 426 H C 2.497 177.689 175.328 -0.226 0.000 1.087 426 H CA 1.683 57.624 56.048 -0.179 0.000 1.291 426 H CB -0.992 28.676 29.762 -0.155 0.000 1.369 426 H HN 0.405 nan 8.280 nan 0.000 0.492 427 V N 1.202 121.062 119.914 -0.090 0.000 2.913 427 V HA -0.129 3.991 4.120 -0.000 0.000 0.260 427 V C 2.199 178.148 176.094 -0.241 0.000 1.098 427 V CA 0.833 63.009 62.300 -0.206 0.000 1.121 427 V CB -0.421 31.358 31.823 -0.073 0.000 0.714 427 V HN 0.133 nan 8.190 nan 0.000 0.487 428 V N -0.747 119.013 119.914 -0.255 0.000 2.426 428 V HA -0.069 4.051 4.120 -0.000 0.000 0.242 428 V C 2.230 178.177 176.094 -0.245 0.000 1.036 428 V CA 1.526 63.633 62.300 -0.320 0.000 1.044 428 V CB -0.346 31.077 31.823 -0.667 0.000 0.688 428 V HN 0.515 nan 8.190 nan 0.000 0.462 429 L N 0.385 121.479 121.223 -0.214 0.000 1.989 429 L HA -0.167 4.173 4.340 -0.000 0.000 0.211 429 L C 2.620 179.404 176.870 -0.144 0.000 1.071 429 L CA 2.073 56.826 54.840 -0.145 0.000 0.749 429 L CB -0.655 41.344 42.059 -0.100 0.000 0.890 429 L HN 0.149 nan 8.230 nan 0.000 0.431 430 R N -0.819 119.557 120.500 -0.207 0.000 2.113 430 R HA -0.274 4.066 4.340 -0.000 0.000 0.244 430 R C 2.271 178.470 176.300 -0.170 0.000 1.142 430 R CA 1.946 57.890 56.100 -0.260 0.000 0.953 430 R CB -0.256 29.711 30.300 -0.554 0.000 0.860 430 R HN 0.449 nan 8.270 nan 0.000 0.438 431 E N 0.525 120.631 120.200 -0.158 0.000 2.031 431 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 431 E C 1.950 178.572 176.600 0.037 0.000 0.994 431 E CA 1.415 57.819 56.400 0.007 0.000 0.800 431 E CB -0.327 29.372 29.700 -0.002 0.000 0.752 431 E HN 0.294 nan 8.360 nan 0.000 0.447 432 L N 0.335 121.566 121.223 0.013 0.000 2.043 432 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 432 L C 2.585 179.514 176.870 0.098 0.000 1.075 432 L CA 1.531 56.443 54.840 0.120 0.000 0.752 432 L CB -0.457 41.611 42.059 0.016 0.000 0.891 432 L HN 0.084 nan 8.230 nan 0.000 0.432 433 R N -0.259 120.233 120.500 -0.013 0.000 2.200 433 R HA -0.064 4.276 4.340 -0.000 0.000 0.234 433 R C 0.736 177.030 176.300 -0.011 0.000 1.127 433 R CA 0.626 56.686 56.100 -0.066 0.000 0.989 433 R CB -0.877 29.378 30.300 -0.076 0.000 0.869 433 R HN 0.181 nan 8.270 nan 0.000 0.459 434 L N 1.680 122.963 121.223 0.100 0.000 2.470 434 L HA -0.018 4.322 4.340 -0.000 0.000 0.243 434 L C 1.521 178.517 176.870 0.210 0.000 1.227 434 L CA 0.653 55.578 54.840 0.142 0.000 0.824 434 L CB 0.186 42.335 42.059 0.149 0.000 1.175 434 L HN 0.226 nan 8.230 nan 0.000 0.503 435 N N -1.234 117.571 118.700 0.174 0.000 2.177 435 N HA 0.037 4.777 4.740 -0.000 0.000 0.218 435 N C -0.759 174.897 175.510 0.242 0.000 1.182 435 N CA -0.005 53.156 53.050 0.185 0.000 0.882 435 N CB 0.441 38.989 38.487 0.101 0.000 1.052 435 N HN 0.216 nan 8.380 nan 0.000 0.519 436 V N 2.445 122.471 119.914 0.187 0.000 2.320 436 V HA 0.173 4.293 4.120 -0.000 0.000 0.265 436 V C 0.574 176.660 176.094 -0.014 0.000 1.048 436 V CA -0.623 61.719 62.300 0.071 0.000 0.865 436 V CB 0.194 32.013 31.823 -0.005 0.000 1.043 436 V HN 0.253 nan 8.190 nan 0.000 0.474 437 T N 1.473 116.032 114.554 0.008 0.000 3.826 437 T HA 0.113 4.463 4.350 -0.000 0.000 0.239 437 T C 0.407 175.028 174.700 -0.131 0.000 1.007 437 T CA -0.219 61.808 62.100 -0.122 0.000 1.171 437 T CB -1.028 67.856 68.868 0.026 0.000 1.153 437 T HN 0.617 nan 8.240 nan 0.000 0.854 438 T N 3.679 118.118 114.554 -0.192 0.000 2.779 438 T HA 0.363 4.713 4.350 -0.000 0.000 0.280 438 T C 0.387 175.008 174.700 -0.132 0.000 0.987 438 T CA -0.891 61.116 62.100 -0.156 0.000 0.966 438 T CB 1.286 70.028 68.868 -0.210 0.000 0.933 438 T HN 0.632 nan 8.240 nan 0.000 0.442 439 Q N 0.590 120.346 119.800 -0.073 0.000 2.494 439 Q HA -0.224 4.116 4.340 -0.000 0.000 0.266 439 Q C 1.582 177.557 176.000 -0.042 0.000 1.053 439 Q CA 0.597 56.379 55.803 -0.036 0.000 1.029 439 Q CB -1.980 26.741 28.738 -0.028 0.000 1.423 439 Q HN 1.023 nan 8.270 nan 0.000 0.516 440 G N 1.253 110.014 108.800 -0.065 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 -0.945 173.960 174.900 0.009 0.000 1.164 440 G CA 1.411 46.478 45.100 -0.054 0.000 0.768 440 G HN 0.368 nan 8.290 nan 0.000 0.560 441 P HA -0.089 nan 4.420 nan 0.000 0.216 441 P C 1.539 178.873 177.300 0.056 0.000 1.153 441 P CA 1.373 64.501 63.100 0.047 0.000 0.848 441 P CB -0.068 31.661 31.700 0.049 0.000 0.787 442 N N -0.859 117.871 118.700 0.051 0.000 2.309 442 N HA -0.120 4.620 4.740 -0.000 0.000 0.182 442 N C 1.545 177.106 175.510 0.086 0.000 1.018 442 N CA 0.671 53.761 53.050 0.068 0.000 0.876 442 N CB -0.701 37.820 38.487 0.057 0.000 0.972 442 N HN 0.033 nan 8.380 nan 0.000 0.434 443 L N -0.527 120.732 121.223 0.060 0.000 2.127 443 L HA 0.216 4.556 4.340 -0.000 0.000 0.203 443 L C 2.104 179.037 176.870 0.104 0.000 1.080 443 L CA 1.115 55.995 54.840 0.068 0.000 0.768 443 L CB -0.550 41.507 42.059 -0.004 0.000 0.924 443 L HN 0.125 nan 8.230 nan 0.000 0.444 444 A N 0.207 123.075 122.820 0.080 0.000 1.948 444 A HA -0.272 4.048 4.320 -0.000 0.000 0.220 444 A C 2.193 179.824 177.584 0.079 0.000 1.177 444 A CA 2.100 54.188 52.037 0.084 0.000 0.636 444 A CB -1.019 18.024 19.000 0.072 0.000 0.815 444 A HN 0.541 nan 8.150 nan 0.000 0.449 445 L N -1.535 119.737 121.223 0.082 0.000 1.989 445 L HA -0.188 4.152 4.340 -0.000 0.000 0.211 445 L C 2.257 179.177 176.870 0.083 0.000 1.071 445 L CA 2.573 57.451 54.840 0.064 0.000 0.749 445 L CB -1.130 40.986 42.059 0.095 0.000 0.890 445 L HN 0.501 nan 8.230 nan 0.000 0.431 446 Y N 0.220 120.531 120.300 0.018 0.000 2.102 446 Y HA -0.377 4.173 4.550 -0.000 0.000 0.280 446 Y C 2.642 178.538 175.900 -0.007 0.000 1.178 446 Y CA 2.402 60.511 58.100 0.015 0.000 1.146 446 Y CB -0.112 38.359 38.460 0.019 0.000 0.968 446 Y HN 0.433 nan 8.280 nan 0.000 0.504 447 Q N -0.641 119.307 119.800 0.246 0.000 2.050 447 Q HA -0.229 4.111 4.340 -0.000 0.000 0.202 447 Q C 2.221 178.233 176.000 0.020 0.000 0.980 447 Q CA 1.652 57.538 55.803 0.139 0.000 0.840 447 Q CB -0.486 28.317 28.738 0.108 0.000 0.898 447 Q HN 0.501 nan 8.270 nan 0.000 0.424 448 L N 1.122 122.335 121.223 -0.017 0.000 1.990 448 L HA -0.218 4.122 4.340 -0.000 0.000 0.213 448 L C 2.087 178.880 176.870 -0.127 0.000 1.072 448 L CA 1.711 56.493 54.840 -0.096 0.000 0.755 448 L CB -0.668 41.271 42.059 -0.201 0.000 0.889 448 L HN 0.189 nan 8.230 nan 0.000 0.432 449 L N -0.678 120.461 121.223 -0.142 0.000 1.971 449 L HA -0.272 4.068 4.340 -0.000 0.000 0.215 449 L C 2.675 179.330 176.870 -0.359 0.000 1.072 449 L CA 1.908 56.574 54.840 -0.290 0.000 0.758 449 L CB -1.221 40.684 42.059 -0.258 0.000 0.889 449 L HN 0.518 nan 8.230 nan 0.000 0.433 450 S N -1.261 114.292 115.700 -0.244 0.000 2.387 450 S HA -0.219 4.251 4.470 -0.000 0.000 0.230 450 S C 1.905 176.410 174.600 -0.157 0.000 1.035 450 S CA 1.876 59.971 58.200 -0.175 0.000 1.014 450 S CB -1.070 62.110 63.200 -0.034 0.000 0.836 450 S HN 0.406 nan 8.310 nan 0.000 0.466 451 T N 2.959 117.434 114.554 -0.130 0.000 2.652 451 T HA -0.036 4.314 4.350 -0.000 0.000 0.267 451 T C 2.264 176.898 174.700 -0.110 0.000 1.039 451 T CA 1.597 63.627 62.100 -0.118 0.000 1.153 451 T CB -0.944 67.866 68.868 -0.097 0.000 0.863 451 T HN 0.641 nan 8.240 nan 0.000 0.428 452 A N 1.091 123.832 122.820 -0.132 0.000 1.908 452 A HA -0.018 4.302 4.320 -0.000 0.000 0.218 452 A C 2.289 179.808 177.584 -0.110 0.000 1.181 452 A CA 1.318 53.296 52.037 -0.097 0.000 0.627 452 A CB -0.951 17.974 19.000 -0.125 0.000 0.818 452 A HN 0.484 nan 8.150 nan 0.000 0.445 453 L N -1.068 120.030 121.223 -0.208 0.000 2.265 453 L HA -0.157 4.183 4.340 -0.000 0.000 0.215 453 L C 1.821 178.655 176.870 -0.060 0.000 1.117 453 L CA 0.544 55.306 54.840 -0.131 0.000 0.782 453 L CB -0.350 41.600 42.059 -0.182 0.000 0.914 453 L HN 0.546 nan 8.230 nan 0.000 0.441 454 c N 1.125 119.676 118.600 -0.081 0.000 2.694 454 c HA 0.180 4.750 4.570 -0.000 0.000 0.455 454 c C 1.644 175.713 174.090 -0.035 0.000 1.293 454 c CA -0.894 55.397 56.329 -0.064 0.000 1.614 454 c CB -2.331 40.131 42.510 -0.080 0.000 2.015 454 c HN 0.457 nan 8.230 nan 0.000 0.608 455 S N 0.936 116.630 115.700 -0.009 0.000 2.624 455 S HA 0.485 4.955 4.470 -0.000 0.000 0.263 455 S C 1.403 175.975 174.600 -0.047 0.000 1.287 455 S CA 0.156 58.353 58.200 -0.004 0.000 0.990 455 S CB 1.133 64.358 63.200 0.041 0.000 0.950 455 S HN 0.792 nan 8.310 nan 0.000 0.561 456 A N 0.459 123.239 122.820 -0.066 0.000 2.024 456 A HA -0.023 4.297 4.320 -0.000 0.000 0.220 456 A C 2.010 179.501 177.584 -0.155 0.000 1.164 456 A CA 1.401 53.376 52.037 -0.104 0.000 0.643 456 A CB -0.938 17.997 19.000 -0.109 0.000 0.806 456 A HN 0.833 nan 8.150 nan 0.000 0.451 457 L N -0.326 120.791 121.223 -0.175 0.000 2.072 457 L HA -0.076 4.264 4.340 -0.000 0.000 0.205 457 L C 2.315 178.939 176.870 -0.410 0.000 1.079 457 L CA 2.498 57.136 54.840 -0.337 0.000 0.752 457 L CB -0.499 41.338 42.059 -0.370 0.000 0.906 457 L HN 0.551 nan 8.230 nan 0.000 0.436 458 E N 0.197 120.308 120.200 -0.148 0.000 2.001 458 E HA -0.269 4.081 4.350 -0.000 0.000 0.195 458 E C 2.245 178.781 176.600 -0.107 0.000 1.002 458 E CA 2.148 58.583 56.400 0.059 0.000 0.819 458 E CB -0.756 29.007 29.700 0.105 0.000 0.769 458 E HN 0.461 nan 8.360 nan 0.000 0.454 459 I N 0.049 120.526 120.570 -0.154 0.000 2.300 459 I HA -0.229 3.941 4.170 -0.000 0.000 0.252 459 I C 1.957 177.892 176.117 -0.304 0.000 1.119 459 I CA 1.883 63.019 61.300 -0.272 0.000 1.384 459 I CB -0.460 37.440 38.000 -0.167 0.000 1.062 459 I HN 0.337 nan 8.210 nan 0.000 0.426 460 G N -0.089 108.573 108.800 -0.231 0.000 2.404 460 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.214 460 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.214 460 G C 1.469 176.242 174.900 -0.211 0.000 1.189 460 G CA 0.311 45.282 45.100 -0.216 0.000 0.789 460 G HN 0.314 nan 8.290 nan 0.000 0.533 461 E N 0.456 120.526 120.200 -0.217 0.000 2.110 461 E HA -0.076 4.274 4.350 -0.000 0.000 0.193 461 E C 2.855 179.387 176.600 -0.113 0.000 0.988 461 E CA 0.501 56.816 56.400 -0.141 0.000 0.804 461 E CB -0.512 29.138 29.700 -0.084 0.000 0.745 461 E HN 0.266 nan 8.360 nan 0.000 0.458 462 V N 1.111 120.922 119.914 -0.172 0.000 2.332 462 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 462 V C 2.404 178.358 176.094 -0.235 0.000 1.055 462 V CA 1.319 63.482 62.300 -0.229 0.000 1.038 462 V CB -0.432 31.140 31.823 -0.418 0.000 0.651 462 V HN 0.160 nan 8.190 nan 0.000 0.450 463 L N -0.255 120.794 121.223 -0.290 0.000 1.994 463 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 463 L C 2.554 179.357 176.870 -0.112 0.000 1.071 463 L CA 2.095 56.811 54.840 -0.206 0.000 0.745 463 L CB -1.069 40.867 42.059 -0.204 0.000 0.892 463 L HN 0.311 nan 8.230 nan 0.000 0.431 464 R N -0.035 120.402 120.500 -0.105 0.000 2.115 464 R HA -0.187 4.153 4.340 -0.000 0.000 0.239 464 R C 2.209 178.489 176.300 -0.033 0.000 1.133 464 R CA 2.037 58.099 56.100 -0.063 0.000 0.935 464 R CB -1.318 28.944 30.300 -0.063 0.000 0.853 464 R HN 0.369 nan 8.270 nan 0.000 0.433 465 G N 0.322 109.105 108.800 -0.030 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 1.533 176.442 174.900 0.015 0.000 1.154 465 G CA 1.014 46.119 45.100 0.009 0.000 0.767 465 G HN 0.319 nan 8.290 nan 0.000 0.552 466 L N 0.610 121.829 121.223 -0.006 0.000 2.012 466 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 466 L C 3.443 180.321 176.870 0.013 0.000 1.073 466 L CA 1.227 56.074 54.840 0.013 0.000 0.748 466 L CB -0.433 41.633 42.059 0.010 0.000 0.891 466 L HN 0.326 nan 8.230 nan 0.000 0.431 467 A N -0.140 122.679 122.820 -0.002 0.000 1.877 467 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 467 A C 2.123 179.711 177.584 0.008 0.000 1.186 467 A CA 1.376 53.413 52.037 0.000 0.000 0.620 467 A CB -0.704 18.289 19.000 -0.011 0.000 0.822 467 A HN 0.390 nan 8.150 nan 0.000 0.443 468 L N -0.835 120.394 121.223 0.009 0.000 2.610 468 L HA 0.115 4.455 4.340 -0.000 0.000 0.232 468 L C 1.656 178.542 176.870 0.026 0.000 1.149 468 L CA 0.487 55.337 54.840 0.016 0.000 0.872 468 L CB -0.395 41.675 42.059 0.017 0.000 0.992 468 L HN 0.626 nan 8.230 nan 0.000 0.447 469 G N 0.223 109.042 108.800 0.030 0.000 2.179 469 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.257 469 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.257 469 G C 0.943 175.874 174.900 0.052 0.000 1.010 469 G CA 0.761 45.884 45.100 0.038 0.000 0.736 469 G HN 0.428 nan 8.290 nan 0.000 0.513 470 T N -3.067 111.531 114.554 0.073 0.000 2.976 470 T HA 0.318 4.668 4.350 -0.000 0.000 0.257 470 T C 0.839 175.658 174.700 0.199 0.000 1.051 470 T CA 1.353 63.522 62.100 0.115 0.000 1.141 470 T CB 0.414 69.373 68.868 0.152 0.000 0.881 470 T HN 0.421 nan 8.240 nan 0.000 0.461 471 E N 1.694 121.989 120.200 0.159 0.000 2.175 471 E HA 0.466 4.816 4.350 -0.000 0.000 0.278 471 E C 1.094 177.748 176.600 0.090 0.000 0.969 471 E CA -0.209 56.275 56.400 0.140 0.000 0.796 471 E CB 1.817 31.531 29.700 0.024 0.000 1.104 471 E HN 0.242 nan 8.360 nan 0.000 0.395 472 S N 3.110 118.863 115.700 0.088 0.000 2.406 472 S HA 0.106 4.576 4.470 -0.000 0.000 0.228 472 S C 1.507 176.147 174.600 0.066 0.000 1.020 472 S CA 0.421 58.656 58.200 0.057 0.000 0.965 472 S CB -0.380 62.840 63.200 0.033 0.000 0.798 472 S HN 1.180 nan 8.310 nan 0.000 0.488 473 G N 0.803 109.652 108.800 0.081 0.000 2.132 473 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.228 473 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.228 473 G C 0.363 175.375 174.900 0.186 0.000 1.000 473 G CA 0.321 45.513 45.100 0.153 0.000 0.693 473 G HN 0.601 nan 8.290 nan 0.000 0.515 474 L N -0.644 120.627 121.223 0.081 0.000 2.056 474 L HA 0.561 4.901 4.340 -0.000 0.000 0.207 474 L C 0.951 177.931 176.870 0.183 0.000 1.078 474 L CA 2.164 57.013 54.840 0.014 0.000 0.749 474 L CB -0.179 41.750 42.059 -0.216 0.000 0.901 474 L HN 0.589 nan 8.230 nan 0.000 0.433 475 F N -1.048 118.903 119.950 0.001 0.000 2.599 475 F HA 0.597 5.124 4.527 -0.000 0.000 0.311 475 F C -0.661 175.077 175.800 -0.102 0.000 1.076 475 F CA -0.314 57.752 58.000 0.109 0.000 0.937 475 F CB 1.579 40.580 39.000 0.001 0.000 1.282 475 F HN -0.199 nan 8.300 nan 0.000 0.460 476 S N 4.606 119.274 115.700 -1.720 0.000 2.560 476 S HA 0.373 4.843 4.470 -0.000 0.000 0.283 476 S C -2.561 171.178 174.600 -1.437 0.000 1.141 476 S CA -1.002 56.326 58.200 -1.453 0.000 0.902 476 S CB 1.896 64.494 63.200 -1.004 0.000 1.104 476 S HN 0.487 nan 8.310 nan 0.000 0.454 477 P HA 0.017 nan 4.420 nan 0.000 0.226 477 P C 1.256 178.387 177.300 -0.281 0.000 1.146 477 P CA 0.763 63.628 63.100 -0.392 0.000 0.773 477 P CB -0.414 31.165 31.700 -0.202 0.000 0.772 478 c N -1.757 116.624 118.600 -0.365 0.000 2.457 478 c HA -0.076 4.494 4.570 -0.000 0.000 0.278 478 c C 2.478 176.502 174.090 -0.111 0.000 1.309 478 c CA 0.285 56.490 56.329 -0.206 0.000 1.735 478 c CB -2.125 40.319 42.510 -0.109 0.000 1.992 478 c HN 0.180 nan 8.230 nan 0.000 0.493 479 Y N 0.959 121.153 120.300 -0.177 0.000 2.446 479 Y HA -0.069 4.481 4.550 -0.000 0.000 0.287 479 Y C 1.776 177.631 175.900 -0.075 0.000 1.159 479 Y CA 1.028 59.041 58.100 -0.145 0.000 1.297 479 Y CB -0.748 37.632 38.460 -0.134 0.000 0.974 479 Y HN 0.304 nan 8.280 nan 0.000 0.557 480 L N -1.884 119.392 121.223 0.088 0.000 3.086 480 L HA 0.187 4.527 4.340 -0.000 0.000 0.274 480 L C 1.002 177.895 176.870 0.039 0.000 1.184 480 L CA -0.012 54.877 54.840 0.081 0.000 1.002 480 L CB -0.085 42.058 42.059 0.139 0.000 1.383 480 L HN -0.086 nan 8.230 nan 0.000 0.582 481 S N 0.127 115.808 115.700 -0.032 0.000 2.589 481 S HA 0.278 4.748 4.470 -0.000 0.000 0.265 481 S C 0.581 175.042 174.600 -0.232 0.000 1.342 481 S CA -0.284 57.853 58.200 -0.106 0.000 1.005 481 S CB 0.508 63.623 63.200 -0.141 0.000 0.909 481 S HN 0.219 nan 8.310 nan 0.000 0.555 482 L N 0.901 121.948 121.223 -0.293 0.000 2.912 482 L HA 0.338 4.678 4.340 -0.000 0.000 0.240 482 L C 1.061 177.364 176.870 -0.945 0.000 1.262 482 L CA -0.154 54.342 54.840 -0.574 0.000 1.058 482 L CB -0.279 41.723 42.059 -0.095 0.000 1.383 482 L HN 0.570 nan 8.230 nan 0.000 0.512 483 R N 1.014 121.046 120.500 -0.779 0.000 2.369 483 R HA 0.205 4.545 4.340 -0.000 0.000 0.310 483 R C -0.499 175.515 176.300 -0.477 0.000 1.141 483 R CA -0.427 55.383 56.100 -0.485 0.000 1.116 483 R CB 0.206 30.378 30.300 -0.214 0.000 1.135 483 R HN 0.103 nan 8.270 nan 0.000 0.529 484 F N 1.177 121.159 119.950 0.054 0.000 2.713 484 F HA 0.134 4.661 4.527 -0.000 0.000 0.294 484 F C 1.415 177.242 175.800 0.046 0.000 1.152 484 F CA -0.483 57.546 58.000 0.049 0.000 1.385 484 F CB 0.196 39.230 39.000 0.057 0.000 0.981 484 F HN 0.417 nan 8.300 nan 0.000 0.514 485 D N 0.869 121.340 120.400 0.119 0.000 2.240 485 D HA -0.032 4.608 4.640 -0.000 0.000 0.206 485 D C 0.704 177.050 176.300 0.078 0.000 0.963 485 D CA 0.466 54.523 54.000 0.095 0.000 0.863 485 D CB 0.135 40.970 40.800 0.058 0.000 0.973 485 D HN 0.116 nan 8.370 nan 0.000 0.501 486 L N 1.622 122.889 121.223 0.073 0.000 2.530 486 L HA 0.362 4.702 4.340 -0.000 0.000 0.273 486 L C 0.582 177.504 176.870 0.087 0.000 1.141 486 L CA -0.259 54.629 54.840 0.080 0.000 0.905 486 L CB -0.370 41.755 42.059 0.111 0.000 1.202 486 L HN 0.019 nan 8.230 nan 0.000 0.473 487 T N -0.435 114.161 114.554 0.071 0.000 2.841 487 T HA 0.531 4.881 4.350 -0.000 0.000 0.276 487 T C 1.059 175.794 174.700 0.058 0.000 1.003 487 T CA -0.653 61.485 62.100 0.063 0.000 0.995 487 T CB 1.335 70.234 68.868 0.051 0.000 1.260 487 T HN 0.477 nan 8.240 nan 0.000 0.581 488 R N 0.817 121.345 120.500 0.047 0.000 2.112 488 R HA -0.132 4.208 4.340 -0.000 0.000 0.242 488 R C 1.731 178.050 176.300 0.032 0.000 1.137 488 R CA 2.445 58.570 56.100 0.041 0.000 0.944 488 R CB -1.324 28.994 30.300 0.030 0.000 0.857 488 R HN 0.776 nan 8.270 nan 0.000 0.435 489 D N -0.417 119.998 120.400 0.025 0.000 2.091 489 D HA -0.132 4.508 4.640 -0.000 0.000 0.199 489 D C 1.694 178.001 176.300 0.012 0.000 0.980 489 D CA 1.186 55.195 54.000 0.015 0.000 0.831 489 D CB -0.254 40.554 40.800 0.013 0.000 0.987 489 D HN 0.084 nan 8.370 nan 0.000 0.460 490 K N 1.511 121.922 120.400 0.019 0.000 2.074 490 K HA -0.134 4.186 4.320 -0.000 0.000 0.209 490 K C 2.224 178.830 176.600 0.009 0.000 1.048 490 K CA 0.925 57.220 56.287 0.013 0.000 0.926 490 K CB -0.722 31.794 32.500 0.026 0.000 0.713 490 K HN 0.077 nan 8.250 nan 0.000 0.444 491 L N 0.035 121.276 121.223 0.029 0.000 2.083 491 L HA -0.113 4.227 4.340 -0.000 0.000 0.209 491 L C 2.380 179.246 176.870 -0.006 0.000 1.083 491 L CA 1.006 55.863 54.840 0.029 0.000 0.752 491 L CB -0.267 41.844 42.059 0.087 0.000 0.899 491 L HN 0.224 nan 8.230 nan 0.000 0.433 492 L N -1.207 120.015 121.223 -0.001 0.000 2.265 492 L HA -0.198 4.142 4.340 -0.000 0.000 0.215 492 L C 2.447 179.297 176.870 -0.032 0.000 1.117 492 L CA 0.753 55.584 54.840 -0.016 0.000 0.782 492 L CB -0.049 42.005 42.059 -0.007 0.000 0.914 492 L HN 0.259 nan 8.230 nan 0.000 0.441 493 S N -0.662 115.018 115.700 -0.034 0.000 2.357 493 S HA -0.147 4.323 4.470 -0.000 0.000 0.221 493 S C 1.747 176.308 174.600 -0.066 0.000 1.031 493 S CA 1.148 59.319 58.200 -0.050 0.000 0.982 493 S CB -0.127 63.045 63.200 -0.047 0.000 0.853 493 S HN 0.272 nan 8.310 nan 0.000 0.458 494 M N 1.741 121.299 119.600 -0.069 0.000 2.374 494 M HA 0.165 4.645 4.480 -0.000 0.000 0.264 494 M C 0.905 177.143 176.300 -0.105 0.000 1.067 494 M CA 0.146 55.391 55.300 -0.093 0.000 1.103 494 M CB -0.754 31.786 32.600 -0.100 0.000 1.402 494 M HN 0.223 nan 8.290 nan 0.000 0.444 495 A N 2.130 124.896 122.820 -0.090 0.000 2.561 495 A HA 0.204 4.524 4.320 -0.000 0.000 0.234 495 A C -2.025 175.509 177.584 -0.084 0.000 1.055 495 A CA -0.946 51.038 52.037 -0.089 0.000 0.756 495 A CB -1.008 17.953 19.000 -0.065 0.000 0.986 495 A HN 0.217 nan 8.150 nan 0.000 0.505 496 P HA 0.072 nan 4.420 nan 0.000 0.271 496 P C -1.009 176.255 177.300 -0.060 0.000 1.220 496 P CA 0.108 63.162 63.100 -0.077 0.000 0.768 496 P CB 0.662 32.316 31.700 -0.076 0.000 0.848 497 Q N 3.018 122.783 119.800 -0.057 0.000 2.503 497 Q HA 0.303 4.643 4.340 -0.000 0.000 0.227 497 Q C -0.280 175.696 176.000 -0.040 0.000 1.109 497 Q CA 0.202 55.977 55.803 -0.047 0.000 0.922 497 Q CB 0.923 29.632 28.738 -0.049 0.000 1.249 497 Q HN 0.539 nan 8.270 nan 0.000 0.530 498 E N 0.037 120.217 120.200 -0.034 0.000 2.352 498 E HA 0.407 4.757 4.350 -0.000 0.000 0.280 498 E C -0.355 176.232 176.600 -0.022 0.000 0.930 498 E CA -0.435 55.948 56.400 -0.028 0.000 0.765 498 E CB 1.567 31.250 29.700 -0.029 0.000 1.219 498 E HN 0.474 nan 8.360 nan 0.000 0.434 499 A N 1.213 124.023 122.820 -0.018 0.000 2.167 499 A HA -0.042 4.278 4.320 -0.000 0.000 0.214 499 A C 1.516 179.094 177.584 -0.011 0.000 1.151 499 A CA 1.020 53.049 52.037 -0.014 0.000 0.735 499 A CB -0.322 18.671 19.000 -0.011 0.000 0.802 499 A HN 0.549 nan 8.150 nan 0.000 0.467 500 T N -0.218 114.328 114.554 -0.012 0.000 3.118 500 T HA 0.235 4.585 4.350 -0.000 0.000 0.260 500 T C -0.022 174.672 174.700 -0.009 0.000 1.139 500 T CA 0.497 62.591 62.100 -0.009 0.000 1.085 500 T CB -0.300 68.562 68.868 -0.010 0.000 0.934 500 T HN 0.156 nan 8.240 nan 0.000 0.518 501 L N 1.626 122.841 121.223 -0.012 0.000 2.333 501 L HA 0.419 4.759 4.340 -0.000 0.000 0.280 501 L C -0.246 176.618 176.870 -0.010 0.000 1.004 501 L CA -0.966 53.867 54.840 -0.012 0.000 0.820 501 L CB 1.452 43.500 42.059 -0.018 0.000 1.247 501 L HN -0.120 nan 8.230 nan 0.000 0.416 502 D N 2.150 122.546 120.400 -0.007 0.000 2.402 502 D HA -0.032 4.608 4.640 -0.000 0.000 0.268 502 D C 1.114 177.410 176.300 -0.007 0.000 1.294 502 D CA 0.332 54.329 54.000 -0.005 0.000 0.945 502 D CB 0.863 41.662 40.800 -0.001 0.000 1.112 502 D HN 0.390 nan 8.370 nan 0.000 0.517 503 Q N 3.082 122.877 119.800 -0.008 0.000 2.217 503 Q HA -0.270 4.070 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 1.653 57.451 55.803 -0.009 0.000 0.878 503 Q CB -0.269 28.464 28.738 -0.009 0.000 0.909 503 Q HN 0.696 nan 8.270 nan 0.000 0.424 504 A N 0.706 123.524 122.820 -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 0.001 0.000 1.187 504 A CA 1.604 53.641 52.037 -0.000 0.000 0.614 504 A CB -0.668 18.332 19.000 0.001 0.000 0.826 504 A HN 0.369 nan 8.150 nan 0.000 0.442 505 A N -0.301 122.519 122.820 0.001 0.000 1.908 505 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 505 A C 2.216 179.801 177.584 0.001 0.000 1.181 505 A CA 1.922 53.961 52.037 0.003 0.000 0.627 505 A CB -1.047 17.954 19.000 0.003 0.000 0.818 505 A HN 0.424 nan 8.150 nan 0.000 0.445 506 V N -0.402 119.509 119.914 -0.005 0.000 2.287 506 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 506 V C 2.776 178.869 176.094 -0.003 0.000 1.053 506 V CA 2.382 64.676 62.300 -0.010 0.000 1.027 506 V CB -1.078 30.735 31.823 -0.018 0.000 0.646 506 V HN 0.667 nan 8.190 nan 0.000 0.447 507 S N 0.369 116.069 115.700 0.001 0.000 2.365 507 S HA -0.267 4.203 4.470 -0.000 0.000 0.225 507 S C 1.953 176.562 174.600 0.016 0.000 1.039 507 S CA 2.068 60.272 58.200 0.007 0.000 1.033 507 S CB -0.539 62.665 63.200 0.006 0.000 0.887 507 S HN 0.692 nan 8.310 nan 0.000 0.447 508 N N 1.746 120.455 118.700 0.015 0.000 2.104 508 N HA -0.081 4.659 4.740 -0.000 0.000 0.190 508 N C 1.963 177.494 175.510 0.035 0.000 1.024 508 N CA 1.390 54.453 53.050 0.022 0.000 0.853 508 N CB -0.910 37.588 38.487 0.018 0.000 1.008 508 N HN 0.532 nan 8.380 nan 0.000 0.424 509 A N 1.230 124.068 122.820 0.030 0.000 1.865 509 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 509 A C 2.587 180.214 177.584 0.072 0.000 1.191 509 A CA 1.716 53.777 52.037 0.041 0.000 0.623 509 A CB -0.939 18.064 19.000 0.006 0.000 0.826 509 A HN 0.108 nan 8.150 nan 0.000 0.444 510 V N 0.741 120.684 119.914 0.049 0.000 2.287 510 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 510 V C 2.216 178.380 176.094 0.116 0.000 1.053 510 V CA 2.340 64.685 62.300 0.076 0.000 1.027 510 V CB -0.917 30.930 31.823 0.039 0.000 0.646 510 V HN 0.525 nan 8.190 nan 0.000 0.447 511 D N 0.541 120.986 120.400 0.075 0.000 2.097 511 D HA -0.121 4.519 4.640 -0.000 0.000 0.195 511 D C 2.220 178.563 176.300 0.072 0.000 0.989 511 D CA 1.800 55.837 54.000 0.062 0.000 0.827 511 D CB -0.400 40.422 40.800 0.036 0.000 0.966 511 D HN 0.494 nan 8.370 nan 0.000 0.456 512 G N 0.559 109.409 108.800 0.083 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 1.500 176.475 174.900 0.125 0.000 1.183 512 G CA 0.399 45.549 45.100 0.083 0.000 0.776 512 G HN 0.189 nan 8.290 nan 0.000 0.552 513 F N 0.990 120.955 119.950 0.026 0.000 2.069 513 F HA -0.079 4.448 4.527 -0.000 0.000 0.298 513 F C 2.412 178.246 175.800 0.055 0.000 1.113 513 F CA 1.526 59.560 58.000 0.056 0.000 1.214 513 F CB -0.565 38.460 39.000 0.041 0.000 0.978 513 F HN 0.110 nan 8.300 nan 0.000 0.474 514 L N 0.446 121.729 121.223 0.100 0.000 2.081 514 L HA -0.082 4.258 4.340 -0.000 0.000 0.212 514 L C 2.408 179.236 176.870 -0.071 0.000 1.080 514 L CA 2.199 57.037 54.840 -0.003 0.000 0.754 514 L CB -1.458 40.635 42.059 0.057 0.000 0.893 514 L HN 0.234 nan 8.230 nan 0.000 0.433 515 G N -1.053 107.717 108.800 -0.050 0.000 2.434 515 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.214 515 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.214 515 G C 1.751 176.568 174.900 -0.138 0.000 1.202 515 G CA 0.672 45.728 45.100 -0.072 0.000 0.788 515 G HN 0.411 nan 8.290 nan 0.000 0.539 516 R N -0.157 120.236 120.500 -0.177 0.000 2.193 516 R HA 0.141 4.481 4.340 -0.000 0.000 0.229 516 R C 2.394 178.438 176.300 -0.428 0.000 1.110 516 R CA 0.715 56.640 56.100 -0.292 0.000 0.988 516 R CB -0.293 29.829 30.300 -0.297 0.000 0.871 516 R HN 0.418 nan 8.270 nan 0.000 0.458 517 L N 0.238 121.239 121.223 -0.370 0.000 2.109 517 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 517 L C 2.090 178.851 176.870 -0.181 0.000 1.086 517 L CA 1.559 56.213 54.840 -0.310 0.000 0.760 517 L CB -0.151 41.711 42.059 -0.328 0.000 0.910 517 L HN 0.339 nan 8.230 nan 0.000 0.437 518 S N -1.244 114.371 115.700 -0.142 0.000 2.522 518 S HA -0.024 4.446 4.470 -0.000 0.000 0.227 518 S C 1.653 176.191 174.600 -0.105 0.000 0.986 518 S CA 0.345 58.493 58.200 -0.086 0.000 0.929 518 S CB -0.108 63.056 63.200 -0.060 0.000 0.769 518 S HN 0.431 nan 8.310 nan 0.000 0.529 519 L N -0.022 121.110 121.223 -0.152 0.000 2.362 519 L HA 0.313 4.653 4.340 -0.000 0.000 0.204 519 L C 2.792 179.561 176.870 -0.170 0.000 1.060 519 L CA 0.793 55.542 54.840 -0.150 0.000 0.827 519 L CB -0.340 41.623 42.059 -0.160 0.000 1.027 519 L HN 0.255 nan 8.230 nan 0.000 0.474 520 E N 0.840 120.893 120.200 -0.245 0.000 2.106 520 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 520 E C 1.039 177.553 176.600 -0.144 0.000 0.984 520 E CA 0.761 57.015 56.400 -0.244 0.000 0.806 520 E CB 0.243 29.653 29.700 -0.483 0.000 0.750 520 E HN 0.089 nan 8.360 nan 0.000 0.458 521 R N 0.622 121.052 120.500 -0.118 0.000 2.346 521 R HA 0.161 4.501 4.340 -0.000 0.000 0.311 521 R C -0.470 175.796 176.300 -0.056 0.000 0.983 521 R CA -0.515 55.557 56.100 -0.047 0.000 0.880 521 R CB 0.699 31.012 30.300 0.023 0.000 1.100 521 R HN -0.042 nan 8.270 nan 0.000 0.453 522 E N 2.104 122.254 120.200 -0.082 0.000 2.284 522 E HA 0.094 4.444 4.350 -0.000 0.000 0.255 522 E C -0.443 176.074 176.600 -0.138 0.000 1.052 522 E CA -0.593 55.727 56.400 -0.133 0.000 0.904 522 E CB 1.035 30.607 29.700 -0.214 0.000 1.217 522 E HN 0.572 nan 8.360 nan 0.000 0.438 523 D N -0.391 119.889 120.400 -0.199 0.000 2.349 523 D HA 0.022 4.662 4.640 -0.000 0.000 0.214 523 D C 1.371 177.385 176.300 -0.475 0.000 1.063 523 D CA 0.250 54.140 54.000 -0.184 0.000 0.847 523 D CB 0.317 41.089 40.800 -0.047 0.000 0.933 523 D HN 0.323 nan 8.370 nan 0.000 0.513 524 R N -0.504 119.518 120.500 -0.797 0.000 2.290 524 R HA 0.151 4.491 4.340 -0.000 0.000 0.197 524 R C 0.337 176.082 176.300 -0.924 0.000 0.913 524 R CA 0.159 55.292 56.100 -1.612 0.000 1.040 524 R CB 0.053 29.433 30.300 -1.534 0.000 0.992 524 R HN -0.171 nan 8.270 nan 0.000 0.500 525 D N 1.605 121.720 120.400 -0.475 0.000 2.392 525 D HA 0.004 4.644 4.640 -0.000 0.000 0.228 525 D C 0.859 177.083 176.300 -0.128 0.000 1.003 525 D CA 0.945 54.809 54.000 -0.227 0.000 0.917 525 D CB 0.678 41.420 40.800 -0.096 0.000 0.890 525 D HN 0.487 nan 8.370 nan 0.000 0.532 526 A N -0.924 121.759 122.820 -0.229 0.000 2.585 526 A HA 0.136 4.456 4.320 -0.000 0.000 0.266 526 A C 0.967 178.424 177.584 -0.211 0.000 1.178 526 A CA -0.512 51.475 52.037 -0.082 0.000 0.966 526 A CB -0.152 18.908 19.000 0.100 0.000 1.170 526 A HN 0.054 nan 8.150 nan 0.000 0.558 527 W N 0.026 120.994 121.300 -0.554 0.000 2.467 527 W HA 0.039 4.699 4.660 -0.000 0.000 0.275 527 W C 1.597 177.967 176.519 -0.248 0.000 1.239 527 W CA 0.812 57.805 57.345 -0.586 0.000 1.266 527 W CB -0.698 28.465 29.460 -0.496 0.000 1.112 527 W HN 0.487 nan 8.180 nan 0.000 0.576 528 H N -0.032 119.092 119.070 0.089 0.000 2.567 528 H HA 0.102 4.658 4.556 -0.000 0.000 0.276 528 H C 0.463 175.837 175.328 0.076 0.000 1.016 528 H CA 0.675 56.766 56.048 0.071 0.000 1.186 528 H CB -0.430 29.355 29.762 0.038 0.000 1.351 528 H HN -0.053 nan 8.280 nan 0.000 0.605 529 L N 1.227 122.570 121.223 0.200 0.000 2.289 529 L HA 0.168 4.508 4.340 -0.000 0.000 0.285 529 L C -1.197 175.785 176.870 0.188 0.000 1.049 529 L CA -1.828 53.124 54.840 0.187 0.000 0.804 529 L CB 1.371 43.556 42.059 0.211 0.000 1.195 529 L HN -0.135 nan 8.230 nan 0.000 0.428 530 P HA -0.186 nan 4.420 nan 0.000 0.215 530 P C 1.377 178.746 177.300 0.117 0.000 1.157 530 P CA 1.399 64.568 63.100 0.115 0.000 0.874 530 P CB 0.336 32.087 31.700 0.084 0.000 0.790 531 A N -1.936 120.955 122.820 0.119 0.000 2.067 531 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 531 A C 2.130 179.781 177.584 0.112 0.000 1.158 531 A CA 0.978 53.070 52.037 0.092 0.000 0.661 531 A CB -1.815 17.231 19.000 0.076 0.000 0.801 531 A HN 0.134 nan 8.150 nan 0.000 0.452 532 Y N 1.442 121.775 120.300 0.055 0.000 2.102 532 Y HA -0.323 4.227 4.550 -0.000 0.000 0.280 532 Y C 1.956 177.854 175.900 -0.003 0.000 1.178 532 Y CA 2.488 60.617 58.100 0.049 0.000 1.146 532 Y CB -0.262 38.251 38.460 0.089 0.000 0.968 532 Y HN 0.367 nan 8.280 nan 0.000 0.504 533 K N -1.130 119.331 120.400 0.100 0.000 2.520 533 K HA -0.134 4.186 4.320 -0.000 0.000 0.197 533 K C 1.357 177.911 176.600 -0.077 0.000 1.043 533 K CA 0.938 57.221 56.287 -0.007 0.000 0.944 533 K CB -0.474 32.037 32.500 0.019 0.000 0.770 533 K HN 0.326 nan 8.250 nan 0.000 0.480 534 c N 0.570 119.118 118.600 -0.087 0.000 2.855 534 c HA 0.187 4.757 4.570 -0.000 0.000 0.279 534 c C 0.431 174.450 174.090 -0.118 0.000 1.270 534 c CA -0.723 55.555 56.329 -0.086 0.000 1.702 534 c CB -0.570 41.910 42.510 -0.051 0.000 1.949 534 c HN 0.018 nan 8.230 nan 0.000 0.618 535 V N 2.012 121.811 119.914 -0.193 0.000 2.347 535 V HA 0.243 4.363 4.120 -0.000 0.000 0.280 535 V C 0.215 176.201 176.094 -0.181 0.000 1.021 535 V CA -0.020 62.168 62.300 -0.187 0.000 0.847 535 V CB 1.114 32.795 31.823 -0.237 0.000 0.990 535 V HN 0.239 nan 8.190 nan 0.000 0.444 536 D N 3.077 123.403 120.400 -0.123 0.000 2.096 536 D HA -0.021 4.619 4.640 -0.000 0.000 0.207 536 D C 1.176 177.420 176.300 -0.094 0.000 0.976 536 D CA 1.280 55.219 54.000 -0.101 0.000 0.875 536 D CB 0.111 40.864 40.800 -0.078 0.000 1.009 536 D HN 0.407 nan 8.370 nan 0.000 0.449 537 R N 1.954 122.411 120.500 -0.072 0.000 3.266 537 R HA 0.148 4.488 4.340 -0.000 0.000 0.224 537 R C 1.298 177.562 176.300 -0.061 0.000 1.525 537 R CA -0.091 55.977 56.100 -0.053 0.000 1.364 537 R CB -0.157 30.125 30.300 -0.029 0.000 1.276 537 R HN 0.318 nan 8.270 nan 0.000 0.660 538 L N -0.614 120.552 121.223 -0.094 0.000 2.362 538 L HA -0.065 4.275 4.340 -0.000 0.000 0.219 538 L C 1.433 178.256 176.870 -0.077 0.000 1.134 538 L CA 1.131 55.899 54.840 -0.119 0.000 0.807 538 L CB -0.297 41.646 42.059 -0.194 0.000 0.927 538 L HN 0.294 nan 8.230 nan 0.000 0.447 539 D N 0.749 121.122 120.400 -0.045 0.000 2.269 539 D HA -0.193 4.447 4.640 -0.000 0.000 0.208 539 D C 1.013 177.314 176.300 0.002 0.000 0.963 539 D CA 0.878 54.864 54.000 -0.024 0.000 0.864 539 D CB -0.206 40.587 40.800 -0.011 0.000 0.936 539 D HN 0.530 nan 8.370 nan 0.000 0.505 540 K N 0.977 121.384 120.400 0.011 0.000 2.577 540 K HA 0.231 4.551 4.320 -0.000 0.000 0.210 540 K C -0.283 176.355 176.600 0.062 0.000 1.048 540 K CA -0.203 56.108 56.287 0.041 0.000 1.188 540 K CB 1.528 34.057 32.500 0.048 0.000 0.910 540 K HN 0.006 nan 8.250 nan 0.000 0.483 541 V N 2.431 122.378 119.914 0.055 0.000 2.364 541 V HA 0.106 4.226 4.120 -0.000 0.000 0.272 541 V C 1.439 177.643 176.094 0.184 0.000 1.036 541 V CA -0.210 62.151 62.300 0.101 0.000 0.880 541 V CB 1.082 32.940 31.823 0.059 0.000 0.991 541 V HN 0.292 nan 8.190 nan 0.000 0.460 542 L N 4.513 125.845 121.223 0.182 0.000 2.049 542 L HA 0.201 4.541 4.340 -0.000 0.000 0.203 542 L C 0.764 177.783 176.870 0.248 0.000 1.074 542 L CA 1.362 56.313 54.840 0.184 0.000 0.749 542 L CB -0.079 42.046 42.059 0.110 0.000 0.907 542 L HN 0.738 nan 8.230 nan 0.000 0.439 543 M N -0.145 119.596 119.600 0.234 0.000 2.523 543 M HA 0.438 4.918 4.480 -0.000 0.000 0.287 543 M C -1.793 174.635 176.300 0.213 0.000 1.160 543 M CA -0.729 54.687 55.300 0.194 0.000 0.902 543 M CB 2.364 34.986 32.600 0.037 0.000 1.752 543 M HN 0.026 nan 8.290 nan 0.000 0.504 544 I N 1.128 121.841 120.570 0.238 0.000 2.404 544 I HA 0.641 4.811 4.170 -0.000 0.000 0.293 544 I C -1.215 175.000 176.117 0.163 0.000 0.992 544 I CA -0.948 60.491 61.300 0.231 0.000 1.149 544 I CB 1.713 39.889 38.000 0.293 0.000 1.315 544 I HN 0.755 nan 8.210 nan 0.000 0.446 545 I N 6.407 127.088 120.570 0.185 0.000 2.388 545 I HA 0.366 4.536 4.170 -0.000 0.000 0.281 545 I C -2.435 173.772 176.117 0.150 0.000 1.046 545 I CA -1.881 59.508 61.300 0.149 0.000 1.187 545 I CB 1.158 39.263 38.000 0.176 0.000 1.351 545 I HN 0.299 nan 8.210 nan 0.000 0.472 546 P HA 0.157 nan 4.420 nan 0.000 0.269 546 P C -0.518 176.780 177.300 -0.003 0.000 1.252 546 P CA -0.068 63.065 63.100 0.054 0.000 0.780 546 P CB 0.646 32.372 31.700 0.044 0.000 0.829 547 L N 3.709 124.973 121.223 0.067 0.000 2.492 547 L HA 0.394 4.734 4.340 -0.000 0.000 0.263 547 L C 1.744 178.677 176.870 0.104 0.000 1.062 547 L CA -0.557 54.339 54.840 0.093 0.000 0.817 547 L CB 0.117 42.325 42.059 0.250 0.000 1.441 547 L HN 0.261 nan 8.230 nan 0.000 0.493 548 I N 0.106 120.782 120.570 0.178 0.000 2.110 548 I HA -0.200 3.970 4.170 -0.000 0.000 0.236 548 I C 1.278 177.470 176.117 0.126 0.000 1.068 548 I CA 1.241 62.640 61.300 0.164 0.000 1.333 548 I CB -0.224 37.903 38.000 0.211 0.000 1.054 548 I HN 0.608 nan 8.210 nan 0.000 0.402 549 N N 0.086 118.868 118.700 0.136 0.000 2.299 549 N HA 0.105 4.845 4.740 -0.000 0.000 0.187 549 N C -0.049 175.496 175.510 0.059 0.000 1.099 549 N CA 0.392 53.500 53.050 0.097 0.000 0.867 549 N CB 1.067 39.619 38.487 0.108 0.000 0.974 549 N HN 0.303 nan 8.380 nan 0.000 0.477 550 V N -3.008 116.937 119.914 0.052 0.000 3.112 550 V HA 0.746 4.866 4.120 -0.000 0.000 0.310 550 V C -0.944 175.131 176.094 -0.032 0.000 1.364 550 V CA -0.832 61.446 62.300 -0.037 0.000 1.058 550 V CB 1.606 33.336 31.823 -0.154 0.000 1.079 550 V HN 0.065 nan 8.190 nan 0.000 0.463 551 T N -1.282 113.196 114.554 -0.127 0.000 3.293 551 T HA 0.671 5.021 4.350 -0.000 0.000 0.320 551 T C -1.176 173.458 174.700 -0.110 0.000 0.995 551 T CA -0.049 62.033 62.100 -0.030 0.000 1.041 551 T CB 0.667 69.555 68.868 0.034 0.000 1.058 551 T HN 0.620 nan 8.240 nan 0.000 0.453 552 F N 2.278 122.277 119.950 0.082 0.000 2.396 552 F HA 0.602 5.129 4.527 -0.000 0.000 0.343 552 F C 0.632 176.491 175.800 0.097 0.000 1.104 552 F CA -1.111 56.943 58.000 0.090 0.000 1.161 552 F CB 1.033 40.084 39.000 0.086 0.000 1.146 552 F HN 0.482 nan 8.300 nan 0.000 0.522 553 I N 5.263 125.995 120.570 0.270 0.000 2.437 553 I HA 0.250 4.420 4.170 -0.000 0.000 0.279 553 I C -0.956 175.289 176.117 0.212 0.000 1.028 553 I CA -0.569 60.854 61.300 0.204 0.000 1.142 553 I CB 0.918 38.992 38.000 0.124 0.000 1.266 553 I HN 0.317 nan 8.210 nan 0.000 0.461 554 I N 6.194 126.885 120.570 0.202 0.000 2.352 554 I HA 0.282 4.452 4.170 -0.000 0.000 0.290 554 I C 0.569 176.780 176.117 0.158 0.000 1.036 554 I CA 0.664 62.066 61.300 0.169 0.000 1.336 554 I CB 1.014 39.087 38.000 0.121 0.000 1.407 554 I HN 0.628 nan 8.210 nan 0.000 0.497 555 S N 2.485 118.287 115.700 0.169 0.000 2.656 555 S HA 0.483 4.953 4.470 -0.000 0.000 0.273 555 S C 0.057 174.775 174.600 0.196 0.000 1.168 555 S CA -0.243 58.054 58.200 0.160 0.000 0.817 555 S CB 1.343 64.629 63.200 0.144 0.000 1.146 555 S HN 0.479 nan 8.310 nan 0.000 0.475 556 S N -0.142 115.659 115.700 0.168 0.000 2.583 556 S HA 0.321 4.791 4.470 -0.000 0.000 0.239 556 S C -0.351 174.440 174.600 0.319 0.000 0.966 556 S CA -0.288 58.012 58.200 0.167 0.000 0.973 556 S CB -0.947 62.296 63.200 0.072 0.000 0.794 556 S HN 0.854 nan 8.310 nan 0.000 0.463 557 D N 0.722 121.344 120.400 0.369 0.000 2.879 557 D HA 0.171 4.811 4.640 -0.000 0.000 0.236 557 D C 0.090 176.347 176.300 -0.071 0.000 1.171 557 D CA -0.845 53.271 54.000 0.194 0.000 0.868 557 D CB 1.272 42.112 40.800 0.066 0.000 1.598 557 D HN 0.303 nan 8.370 nan 0.000 0.497 558 R N 0.702 120.934 120.500 -0.448 0.000 2.555 558 R HA 0.169 4.509 4.340 -0.000 0.000 0.272 558 R C 0.007 176.117 176.300 -0.316 0.000 1.089 558 R CA -0.309 55.366 56.100 -0.708 0.000 1.126 558 R CB 0.067 29.772 30.300 -0.992 0.000 1.250 558 R HN 0.234 nan 8.270 nan 0.000 0.551 559 E N 0.895 120.985 120.200 -0.182 0.000 2.318 559 E HA 0.030 4.380 4.350 -0.000 0.000 0.193 559 E C 0.511 177.048 176.600 -0.105 0.000 0.998 559 E CA 0.221 56.548 56.400 -0.121 0.000 0.859 559 E CB 0.228 29.879 29.700 -0.082 0.000 0.812 559 E HN 0.132 nan 8.360 nan 0.000 0.492 560 V N 3.566 123.422 119.914 -0.096 0.000 2.644 560 V HA -0.128 3.992 4.120 -0.000 0.000 0.305 560 V C 1.100 177.146 176.094 -0.080 0.000 1.053 560 V CA 0.571 62.827 62.300 -0.075 0.000 1.186 560 V CB -0.086 31.712 31.823 -0.041 0.000 0.895 560 V HN 0.250 nan 8.190 nan 0.000 0.490 561 R N 3.606 124.063 120.500 -0.072 0.000 4.306 561 R HA 0.449 4.789 4.340 -0.000 0.000 0.266 561 R C 0.687 176.953 176.300 -0.057 0.000 1.624 561 R CA 0.024 56.084 56.100 -0.067 0.000 1.487 561 R CB 0.055 30.318 30.300 -0.062 0.000 1.441 561 R HN 0.691 nan 8.270 nan 0.000 0.750 562 G N 0.442 109.209 108.800 -0.055 0.000 3.152 562 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.157 562 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.157 562 G C 0.433 175.301 174.900 -0.054 0.000 1.786 562 G CA -0.266 44.802 45.100 -0.052 0.000 1.055 562 G HN 0.313 nan 8.290 nan 0.000 0.528 563 S N -0.683 114.984 115.700 -0.055 0.000 2.539 563 S HA 0.612 5.082 4.470 -0.000 0.000 0.226 563 S C 0.530 175.094 174.600 -0.059 0.000 1.054 563 S CA 0.490 58.660 58.200 -0.050 0.000 0.910 563 S CB 0.669 63.843 63.200 -0.043 0.000 0.818 563 S HN 0.995 nan 8.310 nan 0.000 0.490 564 A N 0.669 123.450 122.820 -0.065 0.000 2.602 564 A HA 0.784 5.104 4.320 -0.000 0.000 0.290 564 A C -2.242 175.269 177.584 -0.121 0.000 1.114 564 A CA -0.563 51.401 52.037 -0.121 0.000 0.683 564 A CB 1.016 19.913 19.000 -0.172 0.000 1.281 564 A HN 0.182 nan 8.150 nan 0.000 0.416 565 L N 0.513 121.618 121.223 -0.197 0.000 2.356 565 L HA 0.777 5.117 4.340 -0.000 0.000 0.277 565 L C -1.830 174.951 176.870 -0.148 0.000 0.996 565 L CA -0.249 54.519 54.840 -0.120 0.000 0.822 565 L CB 1.223 43.193 42.059 -0.149 0.000 1.256 565 L HN 0.635 nan 8.230 nan 0.000 0.413 566 Y N 2.679 123.074 120.300 0.159 0.000 2.468 566 Y HA 0.655 5.205 4.550 -0.000 0.000 0.342 566 Y C -0.283 175.767 175.900 0.249 0.000 1.021 566 Y CA -0.621 57.581 58.100 0.170 0.000 1.079 566 Y CB 1.970 40.519 38.460 0.147 0.000 1.226 566 Y HN 0.600 nan 8.280 nan 0.000 0.460 567 E N 1.646 122.058 120.200 0.354 0.000 2.278 567 E HA 0.718 5.068 4.350 -0.000 0.000 0.272 567 E C -1.453 175.171 176.600 0.039 0.000 0.890 567 E CA -0.826 55.668 56.400 0.157 0.000 0.770 567 E CB 1.310 31.113 29.700 0.172 0.000 1.212 567 E HN 0.783 nan 8.360 nan 0.000 0.415 568 A N 2.266 125.026 122.820 -0.101 0.000 2.386 568 A HA 0.228 4.548 4.320 -0.000 0.000 0.246 568 A C 1.068 178.617 177.584 -0.058 0.000 1.089 568 A CA 0.381 52.348 52.037 -0.117 0.000 0.790 568 A CB 0.457 19.215 19.000 -0.404 0.000 1.042 568 A HN 0.810 nan 8.150 nan 0.000 0.497 569 S N -0.003 115.702 115.700 0.009 0.000 2.453 569 S HA -0.029 4.441 4.470 -0.000 0.000 0.231 569 S C 1.062 175.708 174.600 0.076 0.000 1.005 569 S CA 1.049 59.269 58.200 0.033 0.000 0.949 569 S CB -0.636 62.579 63.200 0.025 0.000 0.774 569 S HN 0.931 nan 8.310 nan 0.000 0.510 570 T N 2.795 117.426 114.554 0.129 0.000 2.901 570 T HA 0.327 4.677 4.350 -0.000 0.000 0.301 570 T C 0.853 175.600 174.700 0.077 0.000 1.012 570 T CA 0.584 62.808 62.100 0.206 0.000 1.135 570 T CB 0.685 69.748 68.868 0.324 0.000 0.936 570 T HN 0.476 nan 8.240 nan 0.000 0.539 571 T N 2.023 116.630 114.554 0.089 0.000 3.144 571 T HA 0.182 4.532 4.350 -0.000 0.000 0.290 571 T C 1.183 175.871 174.700 -0.021 0.000 0.966 571 T CA -0.367 61.723 62.100 -0.016 0.000 0.907 571 T CB -0.466 68.363 68.868 -0.065 0.000 1.152 571 T HN 0.622 nan 8.240 nan 0.000 0.532 572 Y N 1.973 122.277 120.300 0.006 0.000 2.207 572 Y HA 0.130 4.680 4.550 -0.000 0.000 0.287 572 Y C 1.132 177.027 175.900 -0.009 0.000 1.156 572 Y CA 0.492 58.596 58.100 0.007 0.000 1.182 572 Y CB -0.525 37.948 38.460 0.022 0.000 0.979 572 Y HN 0.219 nan 8.280 nan 0.000 0.521 573 L N -0.865 120.439 121.223 0.135 0.000 2.473 573 L HA -0.053 4.287 4.340 -0.000 0.000 0.265 573 L C 1.683 178.565 176.870 0.020 0.000 1.243 573 L CA 0.535 55.410 54.840 0.058 0.000 0.822 573 L CB -0.012 42.058 42.059 0.017 0.000 1.101 573 L HN -0.085 nan 8.230 nan 0.000 0.507 574 S N -0.986 114.721 115.700 0.013 0.000 2.351 574 S HA -0.122 4.348 4.470 -0.000 0.000 0.220 574 S C 0.931 175.526 174.600 -0.008 0.000 1.035 574 S CA 1.535 59.737 58.200 0.004 0.000 1.031 574 S CB -0.170 63.036 63.200 0.010 0.000 0.928 574 S HN 0.677 nan 8.310 nan 0.000 0.433 575 S N 0.212 115.903 115.700 -0.015 0.000 2.618 575 S HA 0.565 5.035 4.470 -0.000 0.000 0.284 575 S C 0.212 174.756 174.600 -0.094 0.000 1.102 575 S CA -0.814 57.369 58.200 -0.029 0.000 0.984 575 S CB 1.123 64.324 63.200 0.002 0.000 1.280 575 S HN 0.305 nan 8.310 nan 0.000 0.525 576 S N 0.542 116.135 115.700 -0.178 0.000 2.713 576 S HA 0.580 5.050 4.470 -0.000 0.000 0.283 576 S C -1.051 173.253 174.600 -0.493 0.000 1.161 576 S CA -0.519 57.435 58.200 -0.411 0.000 0.999 576 S CB 0.859 63.620 63.200 -0.731 0.000 1.039 576 S HN 0.408 nan 8.310 nan 0.000 0.548 577 L N 2.617 123.504 121.223 -0.561 0.000 2.301 577 L HA 0.546 4.886 4.340 -0.000 0.000 0.278 577 L C -1.680 174.942 176.870 -0.415 0.000 1.022 577 L CA -0.103 54.494 54.840 -0.405 0.000 0.854 577 L CB -0.543 41.283 42.059 -0.388 0.000 1.226 577 L HN 0.404 nan 8.230 nan 0.000 0.429 578 F N 4.538 124.484 119.950 -0.006 0.000 2.440 578 F HA 0.611 5.138 4.527 -0.000 0.000 0.328 578 F C -0.133 175.713 175.800 0.077 0.000 1.070 578 F CA -0.705 57.319 58.000 0.040 0.000 1.011 578 F CB 1.361 40.385 39.000 0.039 0.000 1.226 578 F HN 0.139 nan 8.300 nan 0.000 0.491 579 L N 1.757 123.211 121.223 0.385 0.000 2.471 579 L HA 0.340 4.680 4.340 -0.000 0.000 0.263 579 L C -0.784 176.313 176.870 0.378 0.000 0.985 579 L CA -0.137 54.912 54.840 0.349 0.000 0.868 579 L CB 1.443 43.694 42.059 0.320 0.000 1.203 579 L HN 0.460 nan 8.230 nan 0.000 0.429 580 S N 4.724 120.590 115.700 0.277 0.000 2.420 580 S HA 0.479 4.949 4.470 -0.000 0.000 0.313 580 S C -2.477 172.187 174.600 0.107 0.000 1.079 580 S CA -1.047 57.250 58.200 0.162 0.000 1.104 580 S CB 1.047 64.288 63.200 0.068 0.000 0.969 580 S HN 0.285 nan 8.310 nan 0.000 0.471 581 P HA 0.324 nan 4.420 nan 0.000 0.301 581 P C -1.003 176.164 177.300 -0.222 0.000 1.338 581 P CA -0.602 62.291 63.100 -0.345 0.000 0.834 581 P CB 1.328 32.712 31.700 -0.528 0.000 0.967 582 V N 6.370 126.154 119.914 -0.217 0.000 2.288 582 V HA 0.191 4.311 4.120 -0.000 0.000 0.266 582 V C 1.084 177.107 176.094 -0.119 0.000 1.048 582 V CA -0.680 61.549 62.300 -0.118 0.000 0.842 582 V CB 0.503 32.288 31.823 -0.063 0.000 1.064 582 V HN 0.564 nan 8.190 nan 0.000 0.472 583 I N 5.782 126.295 120.570 -0.095 0.000 2.648 583 I HA 0.121 4.291 4.170 -0.000 0.000 0.284 583 I C 1.005 177.106 176.117 -0.027 0.000 1.153 583 I CA -0.083 61.180 61.300 -0.061 0.000 1.426 583 I CB 0.518 38.497 38.000 -0.036 0.000 1.381 583 I HN 0.779 nan 8.210 nan 0.000 0.571 584 M N 6.076 125.671 119.600 -0.008 0.000 2.503 584 M HA -0.329 4.151 4.480 -0.000 0.000 0.199 584 M C 0.592 176.898 176.300 0.010 0.000 0.466 584 M CA 1.034 56.341 55.300 0.011 0.000 0.510 584 M CB -2.147 30.460 32.600 0.013 0.000 1.858 584 M HN 0.878 nan 8.290 nan 0.000 0.799 585 N N -0.702 118.000 118.700 0.003 0.000 2.666 585 N HA -0.261 4.479 4.740 -0.000 0.000 0.248 585 N C -0.381 175.136 175.510 0.012 0.000 1.118 585 N CA 1.509 54.566 53.050 0.012 0.000 0.722 585 N CB -0.647 37.860 38.487 0.033 0.000 1.050 585 N HN 0.813 nan 8.380 nan 0.000 0.550 586 K N -0.401 119.999 120.400 0.001 0.000 2.426 586 K HA 0.598 4.918 4.320 -0.000 0.000 0.254 586 K C -0.269 176.324 176.600 -0.013 0.000 0.936 586 K CA -0.988 55.299 56.287 -0.001 0.000 0.801 586 K CB 1.274 33.776 32.500 0.003 0.000 1.139 586 K HN 0.140 nan 8.250 nan 0.000 0.424 587 c N 0.764 119.354 118.600 -0.016 0.000 2.364 587 c HA 0.737 5.307 4.570 -0.000 0.000 0.356 587 c C 0.644 174.718 174.090 -0.026 0.000 1.201 587 c CA -0.831 55.482 56.329 -0.026 0.000 2.227 587 c CB 0.619 43.110 42.510 -0.032 0.000 2.387 587 c HN 0.911 nan 8.230 nan 0.000 0.546 588 S N 1.658 117.339 115.700 -0.031 0.000 2.652 588 S HA 0.441 4.911 4.470 -0.000 0.000 0.270 588 S C -0.396 174.183 174.600 -0.035 0.000 1.243 588 S CA -0.606 57.576 58.200 -0.030 0.000 0.999 588 S CB 0.538 63.719 63.200 -0.031 0.000 0.973 588 S HN 0.928 nan 8.310 nan 0.000 0.544 589 Q N 0.691 120.472 119.800 -0.032 0.000 2.286 589 Q HA 0.506 4.846 4.340 -0.000 0.000 0.267 589 Q C 0.526 176.502 176.000 -0.040 0.000 1.028 589 Q CA -0.303 55.479 55.803 -0.035 0.000 0.901 589 Q CB -0.135 28.585 28.738 -0.030 0.000 1.183 589 Q HN 1.453 nan 8.270 nan 0.000 0.392 590 G N 1.087 109.860 108.800 -0.045 0.000 2.705 590 G HA2 0.082 4.042 3.960 -0.000 0.000 0.686 590 G HA3 0.082 4.042 3.960 -0.000 0.000 0.686 590 G C -0.461 174.403 174.900 -0.060 0.000 1.285 590 G CA -0.543 44.526 45.100 -0.051 0.000 0.800 590 G HN 1.062 nan 8.290 nan 0.000 0.611 591 A N 0.743 123.521 122.820 -0.070 0.000 2.280 591 A HA 0.832 5.152 4.320 -0.000 0.000 0.268 591 A C 1.205 178.738 177.584 -0.085 0.000 1.111 591 A CA 0.322 52.307 52.037 -0.087 0.000 0.814 591 A CB 0.363 19.298 19.000 -0.109 0.000 1.093 591 A HN 2.085 nan 8.150 nan 0.000 0.498 592 V N 0.038 119.891 119.914 -0.101 0.000 3.287 592 V HA 0.351 4.471 4.120 -0.000 0.000 0.306 592 V C 1.331 177.372 176.094 -0.087 0.000 1.103 592 V CA 0.000 62.243 62.300 -0.095 0.000 1.159 592 V CB -0.012 31.742 31.823 -0.114 0.000 1.036 592 V HN 1.170 nan 8.190 nan 0.000 0.487 593 A N 2.041 124.818 122.820 -0.072 0.000 2.325 593 A HA 0.548 4.868 4.320 -0.000 0.000 0.260 593 A C 1.018 178.566 177.584 -0.061 0.000 1.133 593 A CA 0.255 52.257 52.037 -0.058 0.000 0.801 593 A CB -0.568 18.405 19.000 -0.046 0.000 1.092 593 A HN 1.333 nan 8.150 nan 0.000 0.504 594 G N -1.665 107.107 108.800 -0.045 0.000 2.690 594 G HA2 0.422 4.382 3.960 -0.000 0.000 0.239 594 G HA3 0.422 4.382 3.960 -0.000 0.000 0.239 594 G C -0.044 174.838 174.900 -0.030 0.000 1.233 594 G CA 0.869 45.947 45.100 -0.037 0.000 0.847 594 G HN 1.362 nan 8.290 nan 0.000 0.588 595 E N -0.550 119.642 120.200 -0.015 0.000 6.993 595 E HA -0.127 4.223 4.350 -0.000 0.000 0.276 595 E C -2.323 174.274 176.600 -0.006 0.000 1.113 595 E CA 0.154 56.555 56.400 0.002 0.000 1.400 595 E CB -0.673 29.027 29.700 0.000 0.000 0.936 595 E HN 0.401 nan 8.360 nan 0.000 0.285 596 P HA 0.189 nan 4.420 nan 0.000 0.274 596 P C -0.557 176.745 177.300 0.003 0.000 1.246 596 P CA -0.402 62.711 63.100 0.022 0.000 0.795 596 P CB 0.557 32.351 31.700 0.157 0.000 1.006 597 R N 1.716 122.170 120.500 -0.076 0.000 2.340 597 R HA 0.133 4.473 4.340 -0.000 0.000 0.300 597 R C -0.052 176.300 176.300 0.085 0.000 1.069 597 R CA -0.198 55.852 56.100 -0.084 0.000 0.984 597 R CB 0.332 30.435 30.300 -0.329 0.000 1.003 597 R HN 0.501 nan 8.270 nan 0.000 0.459 598 Q N 3.912 123.787 119.800 0.125 0.000 2.293 598 Q HA 0.192 4.532 4.340 -0.000 0.000 0.251 598 Q C -0.160 175.981 176.000 0.236 0.000 0.930 598 Q CA -0.274 55.628 55.803 0.165 0.000 0.893 598 Q CB 1.435 30.230 28.738 0.094 0.000 1.215 598 Q HN 0.538 nan 8.270 nan 0.000 0.425 599 I N 5.081 125.772 120.570 0.200 0.000 2.494 599 I HA 0.069 4.239 4.170 -0.000 0.000 0.289 599 I C -1.667 174.485 176.117 0.059 0.000 1.106 599 I CA -1.584 59.781 61.300 0.108 0.000 1.369 599 I CB -0.046 37.967 38.000 0.022 0.000 1.410 599 I HN 0.343 nan 8.210 nan 0.000 0.523 600 P HA 0.143 nan 4.420 nan 0.000 0.275 600 P C -1.049 176.248 177.300 -0.005 0.000 1.227 600 P CA -0.412 62.705 63.100 0.028 0.000 0.781 600 P CB 0.772 32.495 31.700 0.039 0.000 0.906 601 K N 2.964 123.353 120.400 -0.020 0.000 2.172 601 K HA 0.564 4.884 4.320 -0.000 0.000 0.276 601 K C 0.017 176.574 176.600 -0.072 0.000 1.013 601 K CA -0.620 55.643 56.287 -0.040 0.000 0.913 601 K CB 1.126 33.602 32.500 -0.039 0.000 1.055 601 K HN 0.461 nan 8.250 nan 0.000 0.461 602 I N 1.997 122.507 120.570 -0.100 0.000 2.545 602 I HA 0.150 4.320 4.170 -0.000 0.000 0.292 602 I C 0.308 176.293 176.117 -0.220 0.000 1.040 602 I CA -0.483 60.714 61.300 -0.172 0.000 1.068 602 I CB 2.128 40.002 38.000 -0.211 0.000 1.251 602 I HN 0.615 nan 8.210 nan 0.000 0.424 603 Q N 2.559 122.211 119.800 -0.246 0.000 2.103 603 Q HA 0.199 4.539 4.340 -0.000 0.000 0.219 603 Q C 0.960 176.821 176.000 -0.233 0.000 0.784 603 Q CA -0.238 55.416 55.803 -0.248 0.000 1.014 603 Q CB 0.769 29.385 28.738 -0.203 0.000 1.183 603 Q HN 0.583 nan 8.270 nan 0.000 0.469 604 N N 0.951 119.456 118.700 -0.325 0.000 2.022 604 N HA -0.078 4.662 4.740 -0.000 0.000 0.194 604 N C 0.212 175.612 175.510 -0.182 0.000 1.057 604 N CA 1.042 53.905 53.050 -0.312 0.000 0.849 604 N CB -0.185 38.021 38.487 -0.469 0.000 1.044 604 N HN 0.073 nan 8.380 nan 0.000 0.424 605 F N 1.501 121.460 119.950 0.016 0.000 2.623 605 F HA -0.062 4.465 4.527 -0.000 0.000 0.381 605 F C 1.446 177.248 175.800 0.004 0.000 1.081 605 F CA -0.195 57.834 58.000 0.050 0.000 1.293 605 F CB -0.626 38.484 39.000 0.184 0.000 1.006 605 F HN -0.028 nan 8.300 nan 0.000 0.578 606 T N 1.025 115.703 114.554 0.205 0.000 2.943 606 T HA 0.484 4.834 4.350 -0.000 0.000 0.284 606 T C 1.176 175.931 174.700 0.092 0.000 1.015 606 T CA -1.068 61.092 62.100 0.098 0.000 1.042 606 T CB 1.745 70.648 68.868 0.059 0.000 1.055 606 T HN 0.542 nan 8.240 nan 0.000 0.500 607 R N 0.873 121.412 120.500 0.065 0.000 2.109 607 R HA -0.030 4.310 4.340 -0.000 0.000 0.227 607 R C 0.737 177.064 176.300 0.044 0.000 1.132 607 R CA 1.224 57.362 56.100 0.064 0.000 0.907 607 R CB -1.388 28.949 30.300 0.061 0.000 0.825 607 R HN 0.671 nan 8.270 nan 0.000 0.432 608 T N 2.716 117.286 114.554 0.027 0.000 2.871 608 T HA 0.018 4.368 4.350 -0.000 0.000 0.296 608 T C 0.125 174.816 174.700 -0.015 0.000 0.998 608 T CA 0.397 62.501 62.100 0.006 0.000 1.162 608 T CB 0.607 69.477 68.868 0.003 0.000 0.947 608 T HN 0.096 nan 8.240 nan 0.000 0.536 609 Q N 2.042 121.816 119.800 -0.042 0.000 2.323 609 Q HA 0.312 4.652 4.340 -0.000 0.000 0.271 609 Q C 0.664 176.611 176.000 -0.087 0.000 1.048 609 Q CA -0.663 55.089 55.803 -0.086 0.000 0.792 609 Q CB 2.513 31.157 28.738 -0.156 0.000 1.280 609 Q HN 0.656 nan 8.270 nan 0.000 0.441 610 K N 1.126 121.475 120.400 -0.084 0.000 1.975 610 K HA -0.008 4.312 4.320 -0.000 0.000 0.210 610 K C 0.816 177.358 176.600 -0.096 0.000 1.041 610 K CA 1.208 57.450 56.287 -0.075 0.000 0.942 610 K CB 0.117 32.580 32.500 -0.061 0.000 0.729 610 K HN 0.695 nan 8.250 nan 0.000 0.439 611 S N -0.581 115.048 115.700 -0.118 0.000 2.713 611 S HA 0.113 4.583 4.470 -0.000 0.000 0.277 611 S C 0.068 174.552 174.600 -0.193 0.000 1.168 611 S CA -0.997 57.122 58.200 -0.135 0.000 0.994 611 S CB 1.369 64.495 63.200 -0.122 0.000 1.054 611 S HN 0.383 nan 8.310 nan 0.000 0.555 612 C N 2.094 121.274 119.300 -0.201 0.000 2.262 612 C HA 0.435 4.895 4.460 -0.000 0.000 0.413 612 C C 1.629 176.410 174.990 -0.349 0.000 1.019 612 C CA -0.862 58.004 59.018 -0.254 0.000 1.320 612 C CB -2.912 24.703 27.740 -0.208 0.000 1.657 612 C HN 0.763 nan 8.230 nan 0.000 0.510 613 I N 2.737 123.008 120.570 -0.498 0.000 2.072 613 I HA -0.070 4.100 4.170 -0.000 0.000 0.235 613 I C 0.755 176.498 176.117 -0.623 0.000 1.058 613 I CA 1.508 62.432 61.300 -0.626 0.000 1.320 613 I CB -0.455 36.922 38.000 -1.039 0.000 1.047 613 I HN 0.417 nan 8.210 nan 0.000 0.397 614 F N 0.820 120.590 119.950 -0.301 0.000 2.659 614 F HA 0.168 4.695 4.527 -0.000 0.000 0.360 614 F C 1.147 176.692 175.800 -0.426 0.000 1.218 614 F CA -0.714 57.106 58.000 -0.301 0.000 1.317 614 F CB -1.050 37.969 39.000 0.033 0.000 1.697 614 F HN 0.107 nan 8.300 nan 0.000 0.637 615 C N 0.696 119.655 119.300 -0.569 0.000 3.529 615 C HA 0.183 4.643 4.460 -0.000 0.000 0.288 615 C C 2.822 177.604 174.990 -0.346 0.000 1.353 615 C CA 1.208 59.989 59.018 -0.395 0.000 1.705 615 C CB -0.781 26.751 27.740 -0.346 0.000 2.156 615 C HN 0.827 nan 8.230 nan 0.000 0.555 616 G N 0.163 108.774 108.800 -0.314 0.000 3.094 616 G HA2 0.134 4.094 3.960 -0.000 0.000 0.208 616 G HA3 0.134 4.094 3.960 -0.000 0.000 0.208 616 G C 0.288 175.455 174.900 0.445 0.000 1.189 616 G CA 0.239 45.373 45.100 0.057 0.000 0.856 616 G HN 0.295 nan 8.290 nan 0.000 0.510 617 F N 0.183 120.242 119.950 0.181 0.000 2.403 617 F HA 0.802 5.329 4.527 -0.000 0.000 0.326 617 F C 0.508 176.468 175.800 0.266 0.000 1.099 617 F CA -2.336 55.802 58.000 0.230 0.000 1.036 617 F CB 1.036 40.144 39.000 0.181 0.000 1.336 617 F HN 0.059 nan 8.300 nan 0.000 0.497 618 A N 0.522 123.594 122.820 0.420 0.000 2.515 618 A HA 0.756 5.076 4.320 -0.000 0.000 0.298 618 A C -1.600 176.075 177.584 0.151 0.000 1.059 618 A CA -0.634 51.590 52.037 0.311 0.000 0.698 618 A CB 1.387 20.570 19.000 0.305 0.000 1.289 618 A HN 0.648 nan 8.150 nan 0.000 0.404 619 L N 1.343 122.658 121.223 0.153 0.000 2.325 619 L HA 0.667 5.007 4.340 -0.000 0.000 0.278 619 L C -1.142 175.819 176.870 0.151 0.000 1.023 619 L CA -0.876 54.056 54.840 0.153 0.000 0.811 619 L CB 1.757 43.942 42.059 0.211 0.000 1.249 619 L HN 0.631 nan 8.230 nan 0.000 0.431 620 L N 3.112 124.412 121.223 0.129 0.000 2.446 620 L HA 0.410 4.750 4.340 -0.000 0.000 0.268 620 L C -0.302 176.625 176.870 0.095 0.000 0.975 620 L CA -0.052 54.848 54.840 0.100 0.000 0.848 620 L CB 1.826 43.916 42.059 0.050 0.000 1.225 620 L HN 0.609 nan 8.230 nan 0.000 0.410 621 S N 3.653 119.358 115.700 0.007 0.000 2.489 621 S HA 0.797 5.267 4.470 -0.000 0.000 0.291 621 S C -0.756 173.769 174.600 -0.124 0.000 1.151 621 S CA -0.521 57.540 58.200 -0.232 0.000 1.082 621 S CB 1.213 64.093 63.200 -0.533 0.000 1.019 621 S HN 0.555 nan 8.310 nan 0.000 0.492 622 Y N -0.612 119.569 120.300 -0.198 0.000 2.512 622 Y HA 0.745 5.295 4.550 -0.000 0.000 0.348 622 Y C -0.881 174.926 175.900 -0.155 0.000 0.990 622 Y CA -1.361 56.661 58.100 -0.130 0.000 1.033 622 Y CB 0.835 39.264 38.460 -0.052 0.000 1.259 622 Y HN 0.628 nan 8.280 nan 0.000 0.461 623 D N 1.891 122.281 120.400 -0.017 0.000 2.210 623 D HA 0.173 4.813 4.640 -0.000 0.000 0.249 623 D C 0.760 177.086 176.300 0.042 0.000 1.078 623 D CA -0.199 53.730 54.000 -0.118 0.000 0.875 623 D CB 1.481 42.196 40.800 -0.141 0.000 1.175 623 D HN 0.820 nan 8.370 nan 0.000 0.440 624 E N 1.822 121.990 120.200 -0.053 0.000 2.058 624 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 624 E C 1.252 177.777 176.600 -0.125 0.000 0.997 624 E CA 1.365 57.780 56.400 0.025 0.000 0.801 624 E CB 0.283 29.930 29.700 -0.089 0.000 0.746 624 E HN 0.430 nan 8.360 nan 0.000 0.450 625 K N 0.197 120.399 120.400 -0.330 0.000 2.005 625 K HA -0.037 4.283 4.320 -0.000 0.000 0.206 625 K C 1.037 177.588 176.600 -0.082 0.000 1.044 625 K CA 0.728 56.846 56.287 -0.280 0.000 0.942 625 K CB 0.003 32.269 32.500 -0.390 0.000 0.727 625 K HN -0.045 nan 8.250 nan 0.000 0.439 626 E N -0.378 119.766 120.200 -0.094 0.000 2.622 626 E HA 0.152 4.502 4.350 -0.000 0.000 0.255 626 E C 0.650 177.251 176.600 0.002 0.000 1.313 626 E CA 0.007 56.382 56.400 -0.043 0.000 1.011 626 E CB 0.296 29.956 29.700 -0.066 0.000 1.173 626 E HN 0.244 nan 8.360 nan 0.000 0.601 627 G N -0.339 108.464 108.800 0.005 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 -0.469 174.457 174.900 0.043 0.000 1.635 627 G CA -0.495 44.618 45.100 0.021 0.000 1.065 627 G HN 0.306 nan 8.290 nan 0.000 0.545 628 L N 0.750 121.995 121.223 0.036 0.000 2.305 628 L HA 0.279 4.619 4.340 -0.000 0.000 0.281 628 L C 1.179 178.054 176.870 0.009 0.000 1.085 628 L CA -0.684 54.186 54.840 0.051 0.000 0.813 628 L CB 1.442 43.527 42.059 0.043 0.000 1.157 628 L HN 0.474 nan 8.230 nan 0.000 0.436 629 E N 1.826 122.016 120.200 -0.016 0.000 2.025 629 E HA 0.046 4.396 4.350 -0.000 0.000 0.198 629 E C 0.541 177.113 176.600 -0.046 0.000 0.955 629 E CA 0.929 57.289 56.400 -0.065 0.000 0.862 629 E CB 0.118 29.735 29.700 -0.139 0.000 0.837 629 E HN 0.722 nan 8.360 nan 0.000 0.488 630 T N -1.698 112.830 114.554 -0.043 0.000 2.907 630 T HA 0.528 4.878 4.350 -0.000 0.000 0.292 630 T C -0.318 174.424 174.700 0.071 0.000 1.043 630 T CA -0.763 61.347 62.100 0.016 0.000 1.003 630 T CB 2.271 71.164 68.868 0.042 0.000 1.084 630 T HN 0.030 nan 8.240 nan 0.000 0.483 631 T N 1.066 115.674 114.554 0.090 0.000 2.876 631 T HA 0.699 5.049 4.350 -0.000 0.000 0.289 631 T C -1.126 173.660 174.700 0.142 0.000 1.014 631 T CA -0.331 61.836 62.100 0.112 0.000 0.986 631 T CB 1.460 70.368 68.868 0.066 0.000 1.021 631 T HN 0.887 nan 8.240 nan 0.000 0.458 632 T N 3.764 118.421 114.554 0.172 0.000 2.916 632 T HA 0.398 4.748 4.350 -0.000 0.000 0.298 632 T C -1.770 173.094 174.700 0.274 0.000 1.031 632 T CA -0.465 61.749 62.100 0.191 0.000 0.993 632 T CB 1.066 69.953 68.868 0.031 0.000 1.045 632 T HN 0.602 nan 8.240 nan 0.000 0.454 633 Y N 3.546 123.977 120.300 0.218 0.000 2.402 633 Y HA 0.534 5.084 4.550 -0.000 0.000 0.332 633 Y C -0.136 175.885 175.900 0.201 0.000 0.960 633 Y CA -1.181 57.047 58.100 0.213 0.000 1.228 633 Y CB 0.393 38.985 38.460 0.219 0.000 1.120 633 Y HN 0.597 nan 8.280 nan 0.000 0.491 634 I N 7.412 127.869 120.570 -0.188 0.000 2.455 634 I HA -0.055 4.115 4.170 -0.000 0.000 0.303 634 I C 1.444 177.265 176.117 -0.494 0.000 1.180 634 I CA 0.260 61.396 61.300 -0.274 0.000 1.469 634 I CB 0.161 38.081 38.000 -0.133 0.000 1.480 634 I HN 0.796 nan 8.210 nan 0.000 0.669 635 T N 1.637 115.918 114.554 -0.455 0.000 2.622 635 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 635 T C 0.934 175.477 174.700 -0.261 0.000 1.047 635 T CA 1.290 63.170 62.100 -0.367 0.000 1.159 635 T CB -0.124 68.635 68.868 -0.182 0.000 0.863 635 T HN 0.616 nan 8.240 nan 0.000 0.422 636 S N -0.632 114.934 115.700 -0.223 0.000 2.806 636 S HA 0.539 5.009 4.470 -0.000 0.000 0.306 636 S C 0.746 175.248 174.600 -0.163 0.000 1.167 636 S CA -0.451 57.648 58.200 -0.168 0.000 0.847 636 S CB 1.844 64.972 63.200 -0.120 0.000 1.216 636 S HN 0.222 nan 8.310 nan 0.000 0.532 637 Q N 1.483 121.203 119.800 -0.135 0.000 2.029 637 Q HA -0.237 4.103 4.340 -0.000 0.000 0.209 637 Q C 1.932 177.863 176.000 -0.115 0.000 0.999 637 Q CA 2.943 58.672 55.803 -0.124 0.000 0.857 637 Q CB -0.893 27.783 28.738 -0.104 0.000 0.926 637 Q HN 0.905 nan 8.270 nan 0.000 0.415 638 E N -1.053 119.083 120.200 -0.108 0.000 2.114 638 E HA -0.237 4.113 4.350 -0.000 0.000 0.199 638 E C 1.825 178.352 176.600 -0.123 0.000 1.008 638 E CA 1.929 58.267 56.400 -0.103 0.000 0.810 638 E CB -0.597 29.043 29.700 -0.099 0.000 0.739 638 E HN 0.289 nan 8.360 nan 0.000 0.456 639 V N 1.358 121.175 119.914 -0.162 0.000 2.307 639 V HA -0.297 3.823 4.120 -0.000 0.000 0.245 639 V C 2.751 178.759 176.094 -0.144 0.000 1.045 639 V CA 2.213 64.395 62.300 -0.197 0.000 1.024 639 V CB -0.928 30.720 31.823 -0.291 0.000 0.651 639 V HN 0.336 nan 8.190 nan 0.000 0.449 640 Q N 0.319 120.048 119.800 -0.117 0.000 2.135 640 Q HA -0.238 4.102 4.340 -0.000 0.000 0.204 640 Q C 2.134 178.119 176.000 -0.026 0.000 0.981 640 Q CA 1.962 57.733 55.803 -0.054 0.000 0.856 640 Q CB -0.132 28.567 28.738 -0.066 0.000 0.902 640 Q HN 0.694 nan 8.270 nan 0.000 0.425 641 N N 0.241 118.910 118.700 -0.051 0.000 2.171 641 N HA -0.105 4.635 4.740 -0.000 0.000 0.184 641 N C 1.629 177.127 175.510 -0.020 0.000 1.021 641 N CA 1.491 54.523 53.050 -0.030 0.000 0.854 641 N CB -0.171 38.288 38.487 -0.045 0.000 0.994 641 N HN 0.300 nan 8.380 nan 0.000 0.426 642 S N -0.021 115.650 115.700 -0.048 0.000 2.803 642 S HA 0.155 4.625 4.470 -0.000 0.000 0.226 642 S C 1.501 176.078 174.600 -0.038 0.000 0.962 642 S CA 0.163 58.336 58.200 -0.045 0.000 0.968 642 S CB -0.379 62.776 63.200 -0.075 0.000 0.786 642 S HN 0.255 nan 8.310 nan 0.000 0.527 643 I N -0.850 119.709 120.570 -0.019 0.000 4.228 643 I HA 0.184 4.354 4.170 -0.000 0.000 0.298 643 I C 1.582 177.798 176.117 0.166 0.000 1.206 643 I CA 0.133 61.420 61.300 -0.022 0.000 1.322 643 I CB 0.081 37.984 38.000 -0.162 0.000 1.411 643 I HN 0.202 nan 8.210 nan 0.000 0.454 644 L N 0.862 122.198 121.223 0.188 0.000 2.395 644 L HA -0.015 4.325 4.340 -0.000 0.000 0.218 644 L C 2.562 179.523 176.870 0.152 0.000 1.130 644 L CA 1.131 56.115 54.840 0.240 0.000 0.826 644 L CB -0.466 41.699 42.059 0.177 0.000 0.941 644 L HN 0.309 nan 8.230 nan 0.000 0.451 645 S N -0.893 114.864 115.700 0.096 0.000 2.387 645 S HA -0.009 4.461 4.470 -0.000 0.000 0.221 645 S C 1.362 176.001 174.600 0.065 0.000 1.041 645 S CA 0.219 58.456 58.200 0.062 0.000 0.959 645 S CB -0.454 62.764 63.200 0.030 0.000 0.843 645 S HN 0.427 nan 8.310 nan 0.000 0.488 646 S N 2.343 118.084 115.700 0.069 0.000 2.634 646 S HA 0.261 4.731 4.470 -0.000 0.000 0.254 646 S C 0.284 174.933 174.600 0.082 0.000 1.299 646 S CA -0.611 57.628 58.200 0.064 0.000 0.974 646 S CB -0.203 63.035 63.200 0.063 0.000 1.001 646 S HN 0.420 nan 8.310 nan 0.000 0.584 647 N N 0.348 119.079 118.700 0.051 0.000 2.597 647 N HA 0.093 4.833 4.740 -0.000 0.000 0.269 647 N C 0.201 175.700 175.510 -0.018 0.000 1.204 647 N CA -0.011 53.046 53.050 0.011 0.000 0.947 647 N CB -0.373 38.102 38.487 -0.020 0.000 1.258 647 N HN 0.701 nan 8.380 nan 0.000 0.508 648 Y N 0.539 120.766 120.300 -0.122 0.000 2.274 648 Y HA -0.056 4.494 4.550 -0.000 0.000 0.290 648 Y C -0.017 175.600 175.900 -0.471 0.000 1.145 648 Y CA 1.147 59.089 58.100 -0.263 0.000 1.203 648 Y CB -0.010 38.245 38.460 -0.342 0.000 0.984 648 Y HN -0.090 nan 8.280 nan 0.000 0.533 649 F N 0.423 120.140 119.950 -0.388 0.000 2.399 649 F HA 0.352 4.879 4.527 -0.000 0.000 0.328 649 F C -0.094 175.213 175.800 -0.823 0.000 1.084 649 F CA -0.722 56.690 58.000 -0.980 0.000 1.053 649 F CB 1.130 39.467 39.000 -1.105 0.000 1.209 649 F HN -0.180 nan 8.300 nan 0.000 0.502 650 D N 1.543 121.530 120.400 -0.688 0.000 2.934 650 D HA 0.152 4.792 4.640 -0.000 0.000 0.249 650 D C -0.063 176.131 176.300 -0.177 0.000 1.293 650 D CA -0.234 53.558 54.000 -0.347 0.000 0.812 650 D CB -0.310 40.423 40.800 -0.113 0.000 1.439 650 D HN 0.174 nan 8.370 nan 0.000 0.555 651 F N 0.104 120.089 119.950 0.060 0.000 2.451 651 F HA 0.077 4.604 4.527 -0.000 0.000 0.299 651 F C 1.672 177.493 175.800 0.034 0.000 1.101 651 F CA 0.306 58.349 58.000 0.071 0.000 1.436 651 F CB -0.141 38.870 39.000 0.019 0.000 1.074 651 F HN 0.202 nan 8.300 nan 0.000 0.553 652 D N 0.705 121.173 120.400 0.114 0.000 2.663 652 D HA -0.024 4.616 4.640 -0.000 0.000 0.243 652 D C 0.052 176.355 176.300 0.005 0.000 1.218 652 D CA 0.374 54.407 54.000 0.055 0.000 0.846 652 D CB -0.497 40.319 40.800 0.026 0.000 1.014 652 D HN 0.169 nan 8.370 nan 0.000 0.476 653 N N 1.462 120.165 118.700 0.005 0.000 2.594 653 N HA 0.006 4.746 4.740 -0.000 0.000 0.280 653 N C 0.850 176.289 175.510 -0.119 0.000 1.156 653 N CA -0.432 52.580 53.050 -0.064 0.000 0.831 653 N CB 1.010 39.464 38.487 -0.054 0.000 1.379 653 N HN -0.139 nan 8.380 nan 0.000 0.536 654 L N 2.350 123.460 121.223 -0.189 0.000 2.191 654 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 654 L C 1.744 178.408 176.870 -0.344 0.000 1.103 654 L CA 1.322 56.029 54.840 -0.221 0.000 0.769 654 L CB -0.885 41.042 42.059 -0.221 0.000 0.908 654 L HN 0.598 nan 8.230 nan 0.000 0.438 655 H N -0.822 118.087 119.070 -0.268 0.000 2.389 655 H HA 0.070 4.626 4.556 -0.000 0.000 0.299 655 H C 0.576 175.592 175.328 -0.520 0.000 1.081 655 H CA 0.347 56.189 56.048 -0.345 0.000 1.345 655 H CB -0.038 29.569 29.762 -0.259 0.000 1.393 655 H HN 0.045 nan 8.280 nan 0.000 0.520 656 V N 2.463 122.139 119.914 -0.397 0.000 2.481 656 V HA 0.175 4.295 4.120 -0.000 0.000 0.286 656 V C 0.141 175.786 176.094 -0.749 0.000 1.042 656 V CA -0.572 61.386 62.300 -0.570 0.000 0.928 656 V CB 1.871 33.430 31.823 -0.440 0.000 0.986 656 V HN 0.338 nan 8.190 nan 0.000 0.462 657 H N 2.723 121.362 119.070 -0.719 0.000 2.731 657 H HA 0.554 5.110 4.556 -0.000 0.000 0.368 657 H C -1.551 173.368 175.328 -0.682 0.000 1.168 657 H CA -0.608 55.092 56.048 -0.580 0.000 1.181 657 H CB 1.928 31.220 29.762 -0.783 0.000 1.743 657 H HN 0.571 nan 8.280 nan 0.000 0.547 658 Y N 1.293 121.650 120.300 0.095 0.000 2.326 658 Y HA 0.277 4.827 4.550 -0.000 0.000 0.329 658 Y C -0.470 175.527 175.900 0.162 0.000 0.973 658 Y CA -0.735 57.457 58.100 0.153 0.000 1.162 658 Y CB 1.251 39.940 38.460 0.382 0.000 1.147 658 Y HN 0.243 nan 8.280 nan 0.000 0.456 659 L N 3.890 125.250 121.223 0.229 0.000 2.334 659 L HA 0.577 4.917 4.340 -0.000 0.000 0.270 659 L C -1.042 175.868 176.870 0.067 0.000 1.018 659 L CA -0.874 54.041 54.840 0.124 0.000 0.811 659 L CB 1.623 43.730 42.059 0.080 0.000 1.271 659 L HN 0.521 nan 8.230 nan 0.000 0.443 660 L N 2.971 124.170 121.223 -0.041 0.000 2.372 660 L HA 0.550 4.890 4.340 -0.000 0.000 0.274 660 L C -1.375 175.353 176.870 -0.237 0.000 0.988 660 L CA -0.155 54.623 54.840 -0.103 0.000 0.833 660 L CB 1.213 43.197 42.059 -0.125 0.000 1.236 660 L HN 0.356 nan 8.230 nan 0.000 0.410 661 L N 4.825 125.866 121.223 -0.302 0.000 2.272 661 L HA 0.574 4.914 4.340 -0.000 0.000 0.289 661 L C 0.666 177.379 176.870 -0.261 0.000 1.032 661 L CA -0.518 53.990 54.840 -0.555 0.000 0.810 661 L CB 1.399 42.776 42.059 -1.136 0.000 1.205 661 L HN 0.717 nan 8.230 nan 0.000 0.422 662 T N -2.462 111.919 114.554 -0.288 0.000 2.884 662 T HA 0.179 4.529 4.350 -0.000 0.000 0.277 662 T C 1.335 176.054 174.700 0.032 0.000 0.976 662 T CA 0.014 61.691 62.100 -0.705 0.000 0.956 662 T CB 1.294 69.548 68.868 -1.024 0.000 1.113 662 T HN 0.685 nan 8.240 nan 0.000 0.554 663 T N -0.921 113.735 114.554 0.170 0.000 2.929 663 T HA -0.016 4.334 4.350 -0.000 0.000 0.271 663 T C 0.676 175.489 174.700 0.188 0.000 1.085 663 T CA 0.319 62.616 62.100 0.328 0.000 1.125 663 T CB -0.657 68.459 68.868 0.412 0.000 0.874 663 T HN 0.599 nan 8.240 nan 0.000 0.494 664 N N 1.318 120.095 118.700 0.128 0.000 2.489 664 N HA 0.409 5.149 4.740 -0.000 0.000 0.284 664 N C 0.954 176.550 175.510 0.144 0.000 1.158 664 N CA -0.255 52.859 53.050 0.107 0.000 0.965 664 N CB 0.937 39.481 38.487 0.095 0.000 1.195 664 N HN 0.289 nan 8.380 nan 0.000 0.506 665 G N -0.198 108.659 108.800 0.095 0.000 3.229 665 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.214 665 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.214 665 G C 0.449 175.571 174.900 0.371 0.000 1.256 665 G CA 0.206 45.379 45.100 0.122 0.000 1.042 665 G HN 0.642 nan 8.290 nan 0.000 0.497 666 T N -2.551 112.195 114.554 0.320 0.000 2.907 666 T HA 0.659 5.009 4.350 -0.000 0.000 0.284 666 T C -0.544 174.184 174.700 0.048 0.000 1.004 666 T CA -0.786 61.474 62.100 0.268 0.000 1.063 666 T CB 2.586 71.541 68.868 0.145 0.000 0.992 666 T HN -0.037 nan 8.240 nan 0.000 0.483 667 V N 3.877 123.604 119.914 -0.312 0.000 2.841 667 V HA 0.737 4.857 4.120 -0.000 0.000 0.310 667 V C -0.233 175.645 176.094 -0.361 0.000 1.090 667 V CA -1.026 60.958 62.300 -0.526 0.000 0.930 667 V CB 1.773 33.009 31.823 -0.978 0.000 1.014 667 V HN 1.157 nan 8.190 nan 0.000 0.425 668 M N 1.324 120.801 119.600 -0.206 0.000 2.465 668 M HA 0.698 5.178 4.480 -0.000 0.000 0.284 668 M C -1.043 175.240 176.300 -0.028 0.000 1.212 668 M CA -0.621 54.627 55.300 -0.085 0.000 0.910 668 M CB 2.521 35.113 32.600 -0.013 0.000 1.725 668 M HN 0.617 nan 8.290 nan 0.000 0.477 669 E N 1.894 122.095 120.200 0.002 0.000 2.283 669 E HA 0.714 5.064 4.350 -0.000 0.000 0.271 669 E C -1.622 175.013 176.600 0.058 0.000 1.031 669 E CA -0.662 55.772 56.400 0.056 0.000 0.868 669 E CB 1.573 31.292 29.700 0.032 0.000 1.094 669 E HN 0.699 nan 8.360 nan 0.000 0.401 670 I N 1.765 122.415 120.570 0.134 0.000 2.603 670 I HA 0.548 4.718 4.170 -0.000 0.000 0.300 670 I C -0.401 175.651 176.117 -0.109 0.000 1.017 670 I CA -0.739 60.577 61.300 0.027 0.000 1.098 670 I CB 2.047 40.103 38.000 0.094 0.000 1.279 670 I HN 0.622 nan 8.210 nan 0.000 0.437 671 A N 3.997 126.454 122.820 -0.605 0.000 3.346 671 A HA 0.681 5.001 4.320 -0.000 0.000 0.222 671 A C -0.234 176.516 177.584 -1.390 0.000 1.138 671 A CA 0.157 51.492 52.037 -1.169 0.000 1.074 671 A CB 0.047 18.829 19.000 -0.363 0.000 1.347 671 A HN 1.099 nan 8.150 nan 0.000 0.751 672 G N 0.000 107.736 108.800 -1.773 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 44.654 45.100 -0.744 0.000 0.502 672 G HN 0.000 nan 8.290 nan 0.000 0.925