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_C 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 0.000 176.708 176.870 -0.269 0.000 1.165 20 L CA 0.000 54.805 54.840 -0.058 0.000 0.813 20 L CB 0.000 42.032 42.059 -0.045 0.000 0.961 21 S N 1.827 117.159 115.700 -0.613 0.000 3.358 21 S HA -0.224 4.246 4.470 -0.000 0.000 0.309 21 S C -0.089 173.863 174.600 -1.079 0.000 1.247 21 S CA 1.618 59.098 58.200 -1.199 0.000 0.961 21 S CB -0.926 61.916 63.200 -0.598 0.000 1.074 21 S HN 0.735 nan 8.310 nan 0.000 0.625 22 E N -0.763 118.997 120.200 -0.733 0.000 2.879 22 E HA 0.444 4.794 4.350 -0.000 0.000 0.345 22 E C -1.654 174.892 176.600 -0.090 0.000 0.955 22 E CA -0.308 55.854 56.400 -0.396 0.000 0.801 22 E CB 1.492 31.035 29.700 -0.262 0.000 1.324 22 E HN 0.227 nan 8.360 nan 0.000 0.417 23 V N 4.820 124.762 119.914 0.048 0.000 2.686 23 V HA 0.663 4.783 4.120 -0.000 0.000 0.306 23 V C -1.686 174.422 176.094 0.023 0.000 1.065 23 V CA -0.498 61.845 62.300 0.072 0.000 0.894 23 V CB 1.737 33.637 31.823 0.129 0.000 1.004 23 V HN 0.622 nan 8.190 nan 0.000 0.424 24 K N 6.509 126.880 120.400 -0.048 0.000 2.413 24 K HA 0.732 5.052 4.320 -0.000 0.000 0.257 24 K C -1.274 175.096 176.600 -0.384 0.000 0.946 24 K CA -0.829 55.376 56.287 -0.137 0.000 0.823 24 K CB 1.845 34.287 32.500 -0.096 0.000 1.109 24 K HN 0.571 nan 8.250 nan 0.000 0.427 25 L N 0.463 121.506 121.223 -0.299 0.000 2.334 25 L HA 0.455 4.795 4.340 -0.000 0.000 0.277 25 L C -0.733 175.862 176.870 -0.458 0.000 1.075 25 L CA -0.664 53.977 54.840 -0.332 0.000 0.804 25 L CB 0.385 42.397 42.059 -0.079 0.000 1.174 25 L HN 0.560 nan 8.230 nan 0.000 0.438 26 H N 2.639 121.667 119.070 -0.069 0.000 2.697 26 H HA 0.549 5.105 4.556 -0.000 0.000 0.270 26 H C -0.419 174.887 175.328 -0.037 0.000 1.188 26 H CA -0.689 55.250 56.048 -0.182 0.000 1.322 26 H CB 0.457 29.984 29.762 -0.391 0.000 1.405 26 H HN 0.506 nan 8.280 nan 0.000 0.502 27 L N 1.044 122.346 121.223 0.133 0.000 2.473 27 L HA 0.139 4.479 4.340 -0.000 0.000 0.265 27 L C 0.256 177.203 176.870 0.127 0.000 1.243 27 L CA 0.284 55.204 54.840 0.134 0.000 0.822 27 L CB 0.367 42.534 42.059 0.180 0.000 1.101 27 L HN 0.571 nan 8.230 nan 0.000 0.507 28 D N 0.383 120.845 120.400 0.103 0.000 2.375 28 D HA 0.413 5.053 4.640 -0.000 0.000 0.259 28 D C -0.106 176.246 176.300 0.087 0.000 1.235 28 D CA -0.330 53.727 54.000 0.094 0.000 0.924 28 D CB 0.606 41.447 40.800 0.069 0.000 1.143 28 D HN 0.271 nan 8.370 nan 0.000 0.529 29 I N 1.156 121.791 120.570 0.108 0.000 3.437 29 I HA 0.048 4.218 4.170 -0.000 0.000 0.274 29 I C 0.909 177.077 176.117 0.086 0.000 1.215 29 I CA -0.191 61.167 61.300 0.097 0.000 1.215 29 I CB 0.577 38.646 38.000 0.115 0.000 1.441 29 I HN 0.340 nan 8.210 nan 0.000 0.677 30 E N 2.095 122.340 120.200 0.076 0.000 2.614 30 E HA 0.257 4.607 4.350 -0.000 0.000 0.321 30 E C 0.563 177.209 176.600 0.077 0.000 1.354 30 E CA 0.288 56.725 56.400 0.062 0.000 1.469 30 E CB -0.304 29.425 29.700 0.049 0.000 1.197 30 E HN 0.871 nan 8.360 nan 0.000 0.497 31 G N 1.085 109.932 108.800 0.078 0.000 2.067 31 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.080 31 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.080 31 G C -0.591 174.327 174.900 0.029 0.000 2.159 31 G CA -0.882 44.247 45.100 0.049 0.000 1.192 31 G HN 0.425 nan 8.290 nan 0.000 0.351 32 H N 1.843 120.934 119.070 0.035 0.000 2.815 32 H HA 0.591 5.146 4.556 -0.000 0.000 0.350 32 H C 0.793 176.160 175.328 0.065 0.000 1.080 32 H CA 0.888 56.959 56.048 0.040 0.000 1.433 32 H CB 1.240 31.021 29.762 0.032 0.000 1.432 32 H HN 0.703 nan 8.280 nan 0.000 0.592 33 A N 3.117 126.040 122.820 0.172 0.000 2.269 33 A HA 0.413 4.733 4.320 -0.000 0.000 0.302 33 A C -0.039 177.708 177.584 0.271 0.000 1.266 33 A CA -0.622 51.536 52.037 0.202 0.000 0.894 33 A CB 0.268 19.396 19.000 0.214 0.000 1.147 33 A HN 0.644 nan 8.150 nan 0.000 0.537 34 S N 1.197 117.044 115.700 0.245 0.000 2.616 34 S HA 0.529 4.999 4.470 -0.000 0.000 0.277 34 S C -0.758 173.968 174.600 0.209 0.000 1.234 34 S CA -0.252 58.047 58.200 0.165 0.000 1.028 34 S CB 0.441 63.737 63.200 0.160 0.000 0.988 34 S HN 0.716 nan 8.310 nan 0.000 0.522 35 H N 1.148 120.044 119.070 -0.290 0.000 2.970 35 H HA 0.435 4.991 4.556 -0.000 0.000 0.315 35 H C -1.509 173.590 175.328 -0.383 0.000 0.992 35 H CA -0.306 55.652 56.048 -0.150 0.000 1.363 35 H CB 0.311 30.069 29.762 -0.006 0.000 1.532 35 H HN 0.484 nan 8.280 nan 0.000 0.514 36 Y N 0.923 121.260 120.300 0.061 0.000 2.409 36 Y HA 0.436 4.986 4.550 -0.000 0.000 0.343 36 Y C 0.267 176.153 175.900 -0.023 0.000 0.973 36 Y CA -1.033 57.082 58.100 0.026 0.000 1.064 36 Y CB 1.982 40.448 38.460 0.009 0.000 1.207 36 Y HN 0.497 nan 8.280 nan 0.000 0.452 37 T N 1.310 115.951 114.554 0.145 0.000 2.791 37 T HA 0.657 5.007 4.350 -0.000 0.000 0.288 37 T C -0.623 174.122 174.700 0.076 0.000 0.999 37 T CA -0.591 61.551 62.100 0.070 0.000 0.952 37 T CB 0.149 69.046 68.868 0.048 0.000 0.938 37 T HN 0.502 nan 8.240 nan 0.000 0.444 38 I N 5.265 125.879 120.570 0.073 0.000 2.310 38 I HA 0.295 4.465 4.170 -0.000 0.000 0.287 38 I C -2.399 173.774 176.117 0.094 0.000 1.073 38 I CA -2.495 58.863 61.300 0.097 0.000 1.216 38 I CB 1.341 39.416 38.000 0.125 0.000 1.415 38 I HN 0.383 nan 8.210 nan 0.000 0.480 39 P HA 0.048 nan 4.420 nan 0.000 0.256 39 P C 0.654 177.906 177.300 -0.080 0.000 1.689 39 P CA -0.431 62.593 63.100 -0.126 0.000 1.124 39 P CB -0.063 31.573 31.700 -0.106 0.000 1.766 40 W N 1.610 122.889 121.300 -0.034 0.000 2.721 40 W HA -0.062 4.597 4.660 -0.000 0.000 0.245 40 W C 1.000 177.504 176.519 -0.025 0.000 1.276 40 W CA 0.717 58.044 57.345 -0.031 0.000 1.342 40 W CB -2.033 27.401 29.460 -0.043 0.000 1.135 40 W HN 0.176 nan 8.180 nan 0.000 0.654 41 T N 1.130 115.495 114.554 -0.315 0.000 2.737 41 T HA -0.263 4.087 4.350 -0.000 0.000 0.265 41 T C 1.760 176.407 174.700 -0.089 0.000 1.038 41 T CA 2.216 64.156 62.100 -0.265 0.000 1.144 41 T CB -0.190 68.444 68.868 -0.389 0.000 0.866 41 T HN 0.307 nan 8.240 nan 0.000 0.434 42 E N -0.267 119.888 120.200 -0.075 0.000 2.158 42 E HA -0.020 4.330 4.350 -0.000 0.000 0.191 42 E C 2.349 178.955 176.600 0.011 0.000 0.982 42 E CA 0.502 56.885 56.400 -0.030 0.000 0.823 42 E CB -0.178 29.503 29.700 -0.031 0.000 0.766 42 E HN 0.535 nan 8.360 nan 0.000 0.468 43 L N 0.400 121.647 121.223 0.040 0.000 2.046 43 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 43 L C 2.751 179.664 176.870 0.071 0.000 1.077 43 L CA 1.130 56.009 54.840 0.065 0.000 0.747 43 L CB -0.329 41.792 42.059 0.103 0.000 0.896 43 L HN 0.283 nan 8.230 nan 0.000 0.432 44 M N -0.862 118.796 119.600 0.096 0.000 2.346 44 M HA -0.208 4.272 4.480 -0.000 0.000 0.263 44 M C 2.340 178.674 176.300 0.057 0.000 1.064 44 M CA 1.641 56.996 55.300 0.092 0.000 1.083 44 M CB -0.493 32.183 32.600 0.127 0.000 1.399 44 M HN 0.346 nan 8.290 nan 0.000 0.435 45 A N 0.340 123.184 122.820 0.040 0.000 1.874 45 A HA -0.088 4.232 4.320 -0.000 0.000 0.214 45 A C 2.067 179.667 177.584 0.027 0.000 1.189 45 A CA 1.220 53.274 52.037 0.027 0.000 0.615 45 A CB -0.296 18.712 19.000 0.014 0.000 0.830 45 A HN 0.365 nan 8.150 nan 0.000 0.443 46 K N -0.719 119.697 120.400 0.027 0.000 2.486 46 K HA 0.160 4.480 4.320 -0.000 0.000 0.194 46 K C -0.609 176.008 176.600 0.029 0.000 1.033 46 K CA 0.201 56.502 56.287 0.024 0.000 1.004 46 K CB 0.171 32.683 32.500 0.021 0.000 0.798 46 K HN 0.320 nan 8.250 nan 0.000 0.495 47 V N 1.572 121.508 119.914 0.036 0.000 2.680 47 V HA 0.147 4.267 4.120 -0.000 0.000 0.309 47 V C -1.678 174.440 176.094 0.040 0.000 1.052 47 V CA -1.419 60.903 62.300 0.037 0.000 0.908 47 V CB 1.786 33.633 31.823 0.040 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 1.356 178.678 177.300 0.036 0.000 1.173 48 P CA 1.208 64.331 63.100 0.039 0.000 0.898 48 P CB 0.401 32.126 31.700 0.041 0.000 0.758 49 G N 0.256 109.077 108.800 0.034 0.000 2.776 49 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.209 49 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.209 49 G C 0.760 175.676 174.900 0.027 0.000 1.145 49 G CA -0.256 44.861 45.100 0.029 0.000 0.791 49 G HN 0.224 nan 8.290 nan 0.000 0.530 50 L N 2.826 124.067 121.223 0.030 0.000 2.454 50 L HA 0.257 4.597 4.340 -0.000 0.000 0.284 50 L C 0.086 176.973 176.870 0.029 0.000 1.139 50 L CA -0.430 54.425 54.840 0.025 0.000 0.911 50 L CB 0.479 42.559 42.059 0.035 0.000 1.262 50 L HN 0.132 nan 8.230 nan 0.000 0.453 51 S N 4.238 119.946 115.700 0.013 0.000 2.328 51 S HA 0.338 4.808 4.470 -0.000 0.000 0.204 51 S C -1.432 173.151 174.600 -0.029 0.000 1.475 51 S CA -1.191 57.016 58.200 0.011 0.000 1.148 51 S CB 0.812 64.025 63.200 0.021 0.000 1.077 51 S HN 0.491 nan 8.310 nan 0.000 0.479 52 P HA -0.216 nan 4.420 nan 0.000 0.217 52 P C 1.283 178.476 177.300 -0.177 0.000 1.151 52 P CA 1.328 64.308 63.100 -0.201 0.000 0.849 52 P CB 0.236 31.677 31.700 -0.431 0.000 0.787 53 E N -0.038 120.065 120.200 -0.161 0.000 2.097 53 E HA -0.170 4.180 4.350 -0.000 0.000 0.196 53 E C 2.182 178.808 176.600 0.043 0.000 1.000 53 E CA 1.657 58.012 56.400 -0.074 0.000 0.804 53 E CB -0.803 28.878 29.700 -0.033 0.000 0.740 53 E HN 0.256 nan 8.360 nan 0.000 0.454 54 A N 0.778 123.621 122.820 0.038 0.000 1.854 54 A HA -0.097 4.223 4.320 -0.000 0.000 0.214 54 A C 2.454 180.098 177.584 0.099 0.000 1.192 54 A CA 1.042 53.120 52.037 0.068 0.000 0.611 54 A CB -0.777 18.257 19.000 0.056 0.000 0.832 54 A HN 0.210 nan 8.150 nan 0.000 0.442 55 L N -1.394 119.872 121.223 0.072 0.000 2.079 55 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 55 L C 2.627 179.588 176.870 0.151 0.000 1.081 55 L CA 1.564 56.449 54.840 0.075 0.000 0.752 55 L CB -0.513 41.477 42.059 -0.116 0.000 0.896 55 L HN 0.802 nan 8.230 nan 0.000 0.433 56 W N 1.294 122.559 121.300 -0.060 0.000 2.374 56 W HA -0.236 4.424 4.660 -0.000 0.000 0.288 56 W C 2.519 179.045 176.519 0.012 0.000 1.218 56 W CA 1.417 58.732 57.345 -0.050 0.000 1.245 56 W CB 0.006 29.381 29.460 -0.141 0.000 1.126 56 W HN 0.111 nan 8.180 nan 0.000 0.545 57 R N 0.991 121.537 120.500 0.076 0.000 2.100 57 R HA -0.057 4.283 4.340 -0.000 0.000 0.220 57 R C 2.155 178.448 176.300 -0.012 0.000 1.091 57 R CA 1.760 57.859 56.100 -0.002 0.000 0.986 57 R CB -0.838 29.509 30.300 0.078 0.000 0.888 57 R HN 0.142 nan 8.270 nan 0.000 0.444 58 E N 0.371 120.615 120.200 0.073 0.000 2.070 58 E HA -0.145 4.205 4.350 -0.000 0.000 0.197 58 E C 0.054 176.659 176.600 0.008 0.000 1.004 58 E CA 1.273 57.727 56.400 0.090 0.000 0.805 58 E CB -0.250 29.592 29.700 0.238 0.000 0.744 58 E HN 0.340 nan 8.360 nan 0.000 0.451 59 A N 2.295 125.133 122.820 0.030 0.000 2.437 59 A HA 0.069 4.389 4.320 -0.000 0.000 0.303 59 A C -0.052 177.404 177.584 -0.212 0.000 1.324 59 A CA -0.347 51.635 52.037 -0.091 0.000 0.983 59 A CB -0.039 18.978 19.000 0.030 0.000 1.142 59 A HN 0.049 nan 8.150 nan 0.000 0.541 60 N N 2.975 121.576 118.700 -0.164 0.000 2.349 60 N HA -0.032 4.708 4.740 -0.000 0.000 0.296 60 N C 1.362 176.733 175.510 -0.231 0.000 1.304 60 N CA 0.106 53.054 53.050 -0.171 0.000 1.051 60 N CB 0.456 38.877 38.487 -0.109 0.000 1.466 60 N HN 0.442 nan 8.380 nan 0.000 0.487 61 V N 1.690 121.385 119.914 -0.366 0.000 2.407 61 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 61 V C 2.268 178.241 176.094 -0.203 0.000 1.055 61 V CA 1.858 63.911 62.300 -0.413 0.000 1.049 61 V CB -0.483 30.901 31.823 -0.732 0.000 0.662 61 V HN 0.591 nan 8.190 nan 0.000 0.455 62 T N -0.898 113.571 114.554 -0.142 0.000 3.100 62 T HA -0.016 4.334 4.350 -0.000 0.000 0.253 62 T C 0.878 175.535 174.700 -0.072 0.000 1.118 62 T CA -0.145 61.911 62.100 -0.073 0.000 1.058 62 T CB -0.417 68.430 68.868 -0.036 0.000 0.953 62 T HN 0.651 nan 8.240 nan 0.000 0.515 63 E N 3.283 123.426 120.200 -0.095 0.000 2.924 63 E HA -0.089 4.261 4.350 -0.000 0.000 0.236 63 E C 0.028 176.581 176.600 -0.079 0.000 1.028 63 E CA -0.188 56.160 56.400 -0.086 0.000 0.952 63 E CB 0.056 29.692 29.700 -0.107 0.000 0.918 63 E HN 0.592 nan 8.360 nan 0.000 0.536 64 D N 4.366 124.730 120.400 -0.061 0.000 2.525 64 D HA -0.157 4.483 4.640 -0.000 0.000 0.235 64 D C 1.241 177.501 176.300 -0.067 0.000 1.137 64 D CA -0.411 53.556 54.000 -0.054 0.000 0.868 64 D CB 0.953 41.728 40.800 -0.041 0.000 1.180 64 D HN 0.418 nan 8.370 nan 0.000 0.465 65 L N 4.019 125.202 121.223 -0.065 0.000 2.030 65 L HA -0.312 4.028 4.340 -0.000 0.000 0.222 65 L C 2.591 179.414 176.870 -0.079 0.000 1.082 65 L CA 2.898 57.692 54.840 -0.076 0.000 0.785 65 L CB -1.249 40.772 42.059 -0.063 0.000 0.895 65 L HN 0.743 nan 8.230 nan 0.000 0.439 66 A N -2.026 120.756 122.820 -0.062 0.000 1.845 66 A HA -0.224 4.096 4.320 -0.000 0.000 0.215 66 A C 2.350 179.896 177.584 -0.063 0.000 1.195 66 A CA 2.261 54.263 52.037 -0.057 0.000 0.616 66 A CB -1.095 17.879 19.000 -0.043 0.000 0.832 66 A HN 0.526 nan 8.150 nan 0.000 0.443 67 S N -0.392 115.270 115.700 -0.064 0.000 2.400 67 S HA -0.209 4.261 4.470 -0.000 0.000 0.232 67 S C 1.973 176.515 174.600 -0.096 0.000 1.025 67 S CA 1.533 59.691 58.200 -0.071 0.000 0.993 67 S CB -0.449 62.711 63.200 -0.065 0.000 0.808 67 S HN 0.626 nan 8.310 nan 0.000 0.478 68 M N 1.584 121.118 119.600 -0.110 0.000 2.106 68 M HA -0.147 4.333 4.480 -0.000 0.000 0.259 68 M C 1.755 177.966 176.300 -0.149 0.000 1.068 68 M CA 1.637 56.849 55.300 -0.146 0.000 1.100 68 M CB -0.735 31.769 32.600 -0.161 0.000 1.351 68 M HN 0.316 nan 8.290 nan 0.000 0.404 69 L N 0.922 122.076 121.223 -0.114 0.000 2.012 69 L HA -0.307 4.033 4.340 -0.000 0.000 0.210 69 L C 2.250 179.128 176.870 0.013 0.000 1.073 69 L CA 1.714 56.520 54.840 -0.056 0.000 0.748 69 L CB -1.414 40.622 42.059 -0.038 0.000 0.891 69 L HN 0.402 nan 8.230 nan 0.000 0.431 70 N N 0.613 119.295 118.700 -0.029 0.000 2.137 70 N HA -0.263 4.477 4.740 -0.000 0.000 0.190 70 N C 1.808 177.283 175.510 -0.057 0.000 1.017 70 N CA 1.339 54.372 53.050 -0.028 0.000 0.859 70 N CB -0.618 37.839 38.487 -0.050 0.000 1.002 70 N HN 0.388 nan 8.380 nan 0.000 0.428 71 R N -0.349 120.071 120.500 -0.133 0.000 2.328 71 R HA -0.135 4.205 4.340 -0.000 0.000 0.207 71 R C 1.235 177.547 176.300 0.020 0.000 1.056 71 R CA 0.750 56.709 56.100 -0.235 0.000 1.016 71 R CB -0.037 30.063 30.300 -0.333 0.000 0.872 71 R HN 0.437 nan 8.270 nan 0.000 0.471 72 Y N -0.227 119.995 120.300 -0.130 0.000 2.572 72 Y HA 0.175 4.725 4.550 -0.000 0.000 0.274 72 Y C 1.201 177.116 175.900 0.025 0.000 1.135 72 Y CA -0.027 58.001 58.100 -0.119 0.000 1.230 72 Y CB 0.288 38.400 38.460 -0.580 0.000 1.293 72 Y HN -0.033 nan 8.280 nan 0.000 0.501 73 K N 0.464 120.856 120.400 -0.013 0.000 2.487 73 K HA 0.048 4.368 4.320 -0.000 0.000 0.192 73 K C 1.166 177.824 176.600 0.097 0.000 1.027 73 K CA 0.560 56.825 56.287 -0.037 0.000 1.054 73 K CB 0.202 32.741 32.500 0.064 0.000 0.824 73 K HN 0.353 nan 8.250 nan 0.000 0.510 74 L N 1.051 122.328 121.223 0.090 0.000 2.316 74 L HA 0.238 4.578 4.340 -0.000 0.000 0.207 74 L C 0.516 177.467 176.870 0.135 0.000 1.070 74 L CA 0.352 55.300 54.840 0.180 0.000 0.820 74 L CB 0.001 42.121 42.059 0.101 0.000 0.992 74 L HN 0.151 nan 8.230 nan 0.000 0.466 75 I N 0.373 120.931 120.570 -0.021 0.000 2.754 75 I HA -0.100 4.070 4.170 -0.000 0.000 0.285 75 I C 0.380 176.096 176.117 -0.668 0.000 1.166 75 I CA -0.244 60.940 61.300 -0.194 0.000 1.417 75 I CB -0.223 37.730 38.000 -0.077 0.000 1.382 75 I HN 0.063 nan 8.210 nan 0.000 0.588 76 Y N 7.032 126.796 120.300 -0.893 0.000 2.480 76 Y HA 0.136 4.686 4.550 -0.000 0.000 0.338 76 Y C 0.038 175.537 175.900 -0.669 0.000 1.220 76 Y CA 0.220 57.576 58.100 -1.239 0.000 1.430 76 Y CB 0.434 38.434 38.460 -0.767 0.000 1.311 76 Y HN 0.385 nan 8.280 nan 0.000 0.575 77 K N 4.119 123.750 120.400 -1.282 0.000 2.378 77 K HA 0.230 4.550 4.320 -0.000 0.000 0.252 77 K C -0.572 175.456 176.600 -0.953 0.000 0.931 77 K CA -0.739 55.095 56.287 -0.755 0.000 0.794 77 K CB 1.472 33.749 32.500 -0.373 0.000 1.181 77 K HN 0.811 nan 8.250 nan 0.000 0.425 78 T N -0.896 113.366 114.554 -0.487 0.000 2.940 78 T HA 0.037 4.387 4.350 -0.000 0.000 0.309 78 T C 1.125 175.697 174.700 -0.214 0.000 1.056 78 T CA -0.033 61.899 62.100 -0.279 0.000 1.137 78 T CB 0.574 69.389 68.868 -0.088 0.000 0.976 78 T HN 0.410 nan 8.240 nan 0.000 0.547 79 S N 2.522 118.147 115.700 -0.125 0.000 2.355 79 S HA 0.217 4.687 4.470 -0.000 0.000 0.222 79 S C 1.210 175.787 174.600 -0.038 0.000 1.031 79 S CA 0.771 58.932 58.200 -0.065 0.000 0.993 79 S CB -0.316 62.884 63.200 0.000 0.000 0.859 79 S HN 1.222 nan 8.310 nan 0.000 0.453 80 G N 1.073 109.860 108.800 -0.021 0.000 2.564 80 G HA2 0.404 4.364 3.960 -0.000 0.000 0.282 80 G HA3 0.404 4.364 3.960 -0.000 0.000 0.282 80 G C -0.824 174.071 174.900 -0.009 0.000 1.469 80 G CA -0.636 44.457 45.100 -0.011 0.000 1.185 80 G HN 0.015 nan 8.290 nan 0.000 0.585 81 T N 2.925 117.471 114.554 -0.014 0.000 2.695 81 T HA 0.175 4.525 4.350 -0.000 0.000 0.264 81 T C 0.730 175.423 174.700 -0.011 0.000 0.993 81 T CA 0.613 62.703 62.100 -0.016 0.000 1.248 81 T CB -0.588 68.276 68.868 -0.007 0.000 0.946 81 T HN 0.610 nan 8.240 nan 0.000 0.526 82 L N 2.225 123.437 121.223 -0.018 0.000 2.295 82 L HA 0.909 5.249 4.340 -0.000 0.000 0.285 82 L C 0.377 177.244 176.870 -0.006 0.000 1.035 82 L CA -0.757 54.082 54.840 -0.002 0.000 0.806 82 L CB 1.311 43.376 42.059 0.010 0.000 1.214 82 L HN 0.415 nan 8.230 nan 0.000 0.426 83 G N 3.460 112.275 108.800 0.026 0.000 2.389 83 G HA2 0.730 4.690 3.960 -0.000 0.000 0.328 83 G HA3 0.730 4.690 3.960 -0.000 0.000 0.328 83 G C -1.001 173.955 174.900 0.094 0.000 1.133 83 G CA -0.615 44.520 45.100 0.058 0.000 0.891 83 G HN 0.517 nan 8.290 nan 0.000 0.485 84 I N 0.534 121.197 120.570 0.155 0.000 2.608 84 I HA 0.495 4.665 4.170 -0.000 0.000 0.295 84 I C 0.533 176.741 176.117 0.151 0.000 1.049 84 I CA -0.880 60.513 61.300 0.156 0.000 1.063 84 I CB 2.286 40.409 38.000 0.204 0.000 1.248 84 I HN 0.573 nan 8.210 nan 0.000 0.424 85 A N 7.288 130.173 122.820 0.107 0.000 2.545 85 A HA 0.641 4.961 4.320 -0.000 0.000 0.297 85 A C -0.519 177.117 177.584 0.088 0.000 1.340 85 A CA 0.202 52.293 52.037 0.090 0.000 1.016 85 A CB -0.776 18.263 19.000 0.065 0.000 1.122 85 A HN 0.624 nan 8.150 nan 0.000 0.537 86 L N 1.787 123.072 121.223 0.104 0.000 2.431 86 L HA 0.760 5.100 4.340 -0.000 0.000 0.266 86 L C 0.034 176.957 176.870 0.088 0.000 0.978 86 L CA -0.527 54.360 54.840 0.080 0.000 0.822 86 L CB 2.388 44.486 42.059 0.065 0.000 1.310 86 L HN 0.605 nan 8.230 nan 0.000 0.409 87 A N 1.942 124.799 122.820 0.062 0.000 2.353 87 A HA 0.510 4.830 4.320 -0.000 0.000 0.299 87 A C -0.556 177.064 177.584 0.060 0.000 1.089 87 A CA -0.542 51.538 52.037 0.071 0.000 0.736 87 A CB 0.946 19.977 19.000 0.052 0.000 1.195 87 A HN 0.751 nan 8.150 nan 0.000 0.447 88 E N 2.024 122.282 120.200 0.097 0.000 2.568 88 E HA 0.110 4.460 4.350 -0.000 0.000 0.262 88 E C -2.076 174.550 176.600 0.043 0.000 0.961 88 E CA -0.497 55.953 56.400 0.082 0.000 0.945 88 E CB 0.250 30.043 29.700 0.155 0.000 0.924 88 E HN 0.383 nan 8.360 nan 0.000 0.467 89 P HA 0.038 nan 4.420 nan 0.000 0.286 89 P C -0.853 176.455 177.300 0.014 0.000 1.269 89 P CA -0.421 62.693 63.100 0.023 0.000 0.787 89 P CB 0.912 32.630 31.700 0.029 0.000 0.920 90 V N 3.603 123.516 119.914 -0.001 0.000 2.420 90 V HA -0.072 4.048 4.120 -0.000 0.000 0.274 90 V C 0.721 176.778 176.094 -0.062 0.000 1.003 90 V CA 0.986 63.263 62.300 -0.039 0.000 1.092 90 V CB -0.269 31.530 31.823 -0.040 0.000 1.002 90 V HN 0.493 nan 8.190 nan 0.000 0.473 91 D N 4.896 125.217 120.400 -0.131 0.000 2.255 91 D HA 0.171 4.811 4.640 -0.000 0.000 0.224 91 D C 0.747 176.592 176.300 -0.759 0.000 0.997 91 D CA 0.934 54.779 54.000 -0.258 0.000 0.906 91 D CB 0.128 40.826 40.800 -0.170 0.000 1.047 91 D HN 0.602 nan 8.370 nan 0.000 0.458 92 I N 3.376 123.435 120.570 -0.851 0.000 2.396 92 I HA 0.144 4.314 4.170 -0.000 0.000 0.289 92 I C -1.758 174.101 176.117 -0.430 0.000 1.056 92 I CA -1.390 59.361 61.300 -0.917 0.000 1.365 92 I CB 1.185 38.725 38.000 -0.767 0.000 1.407 92 I HN 0.052 nan 8.210 nan 0.000 0.509 93 P HA 0.280 nan 4.420 nan 0.000 0.276 93 P C -0.742 176.484 177.300 -0.122 0.000 1.252 93 P CA -0.557 62.455 63.100 -0.147 0.000 0.802 93 P CB 0.989 32.647 31.700 -0.070 0.000 1.035 94 A N 1.751 124.521 122.820 -0.083 0.000 2.462 94 A HA 0.175 4.495 4.320 -0.000 0.000 0.243 94 A C 0.535 178.090 177.584 -0.048 0.000 1.076 94 A CA -0.498 51.500 52.037 -0.066 0.000 0.773 94 A CB -0.173 18.796 19.000 -0.051 0.000 1.010 94 A HN 0.527 nan 8.150 nan 0.000 0.493 95 V N 3.898 123.786 119.914 -0.043 0.000 2.726 95 V HA 0.043 4.163 4.120 -0.000 0.000 0.304 95 V C 0.935 177.016 176.094 -0.021 0.000 1.115 95 V CA 0.887 63.171 62.300 -0.027 0.000 1.264 95 V CB -0.274 31.535 31.823 -0.023 0.000 0.867 95 V HN 1.027 nan 8.190 nan 0.000 0.498 96 S N 5.516 121.207 115.700 -0.015 0.000 2.587 96 S HA 0.067 4.537 4.470 -0.000 0.000 0.260 96 S C 1.018 175.609 174.600 -0.014 0.000 1.353 96 S CA 0.061 58.252 58.200 -0.016 0.000 0.995 96 S CB 0.665 63.855 63.200 -0.016 0.000 0.912 96 S HN 0.985 nan 8.310 nan 0.000 0.568 97 E N 1.259 121.451 120.200 -0.014 0.000 1.986 97 E HA -0.218 4.132 4.350 -0.000 0.000 0.229 97 E C 1.395 177.990 176.600 -0.009 0.000 0.997 97 E CA 1.634 58.027 56.400 -0.011 0.000 0.894 97 E CB -0.668 29.026 29.700 -0.011 0.000 0.813 97 E HN 0.786 nan 8.360 nan 0.000 0.549 98 G N 1.166 109.962 108.800 -0.007 0.000 3.882 98 G HA2 0.114 4.074 3.960 -0.000 0.000 0.283 98 G HA3 0.114 4.074 3.960 -0.000 0.000 0.283 98 G C -0.062 174.837 174.900 -0.001 0.000 1.283 98 G CA 0.042 45.140 45.100 -0.004 0.000 1.402 98 G HN 0.132 nan 8.290 nan 0.000 0.618 99 S N 0.374 116.072 115.700 -0.003 0.000 2.537 99 S HA 0.260 4.730 4.470 -0.000 0.000 0.286 99 S C 0.551 175.153 174.600 0.004 0.000 1.299 99 S CA -0.368 57.833 58.200 0.002 0.000 1.067 99 S CB 0.337 63.537 63.200 0.000 0.000 0.864 99 S HN 0.368 nan 8.310 nan 0.000 0.494 100 M N 5.279 124.884 119.600 0.010 0.000 2.105 100 M HA 0.204 4.684 4.480 -0.000 0.000 0.350 100 M C 0.215 176.521 176.300 0.009 0.000 1.308 100 M CA -0.283 55.024 55.300 0.011 0.000 1.108 100 M CB 0.679 33.289 32.600 0.017 0.000 1.622 100 M HN 0.689 nan 8.290 nan 0.000 0.468 101 Q N 3.519 123.321 119.800 0.004 0.000 2.304 101 Q HA 0.469 4.809 4.340 -0.000 0.000 0.260 101 Q C -1.411 174.584 176.000 -0.009 0.000 0.965 101 Q CA -0.648 55.153 55.803 -0.004 0.000 0.898 101 Q CB 0.914 29.647 28.738 -0.008 0.000 1.196 101 Q HN 0.513 nan 8.270 nan 0.000 0.402 102 V N 2.893 122.795 119.914 -0.020 0.000 2.487 102 V HA 0.176 4.295 4.120 -0.000 0.000 0.298 102 V C -0.526 175.531 176.094 -0.062 0.000 1.028 102 V CA -0.828 61.449 62.300 -0.038 0.000 0.860 102 V CB 1.727 33.529 31.823 -0.033 0.000 0.991 102 V HN 0.929 nan 8.190 nan 0.000 0.427 103 D N 3.745 124.093 120.400 -0.087 0.000 2.295 103 D HA 0.355 4.995 4.640 -0.000 0.000 0.248 103 D C 0.977 177.200 176.300 -0.129 0.000 1.154 103 D CA 0.301 54.242 54.000 -0.100 0.000 0.857 103 D CB 2.234 42.970 40.800 -0.106 0.000 1.117 103 D HN 0.585 nan 8.370 nan 0.000 0.468 104 A N 3.789 126.525 122.820 -0.140 0.000 1.859 104 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 104 A C 2.263 179.702 177.584 -0.241 0.000 1.198 104 A CA 2.411 54.323 52.037 -0.209 0.000 0.629 104 A CB -1.031 17.826 19.000 -0.239 0.000 0.830 104 A HN 0.728 nan 8.150 nan 0.000 0.446 105 S N 0.782 116.368 115.700 -0.189 0.000 2.393 105 S HA -0.263 4.207 4.470 -0.000 0.000 0.234 105 S C 0.964 175.532 174.600 -0.054 0.000 1.064 105 S CA 1.905 60.038 58.200 -0.111 0.000 1.088 105 S CB -0.559 62.611 63.200 -0.051 0.000 0.939 105 S HN 0.734 nan 8.310 nan 0.000 0.448 106 K N 1.777 122.112 120.400 -0.108 0.000 2.624 106 K HA 0.512 4.832 4.320 -0.000 0.000 0.200 106 K C -0.593 175.883 176.600 -0.207 0.000 1.036 106 K CA -0.601 55.606 56.287 -0.132 0.000 1.029 106 K CB 1.317 33.701 32.500 -0.193 0.000 1.317 106 K HN 0.171 nan 8.250 nan 0.000 0.555 107 V N 0.034 119.885 119.914 -0.105 0.000 2.242 107 V HA 0.094 4.214 4.120 -0.000 0.000 0.242 107 V C 0.221 176.316 176.094 0.002 0.000 1.240 107 V CA -0.663 61.592 62.300 -0.075 0.000 1.211 107 V CB -1.370 30.425 31.823 -0.047 0.000 1.338 107 V HN 0.582 nan 8.190 nan 0.000 0.499 108 H N 6.797 125.867 119.070 -0.000 0.000 3.201 108 H HA -0.004 4.552 4.556 -0.000 0.000 0.301 108 H C -0.903 174.426 175.328 0.002 0.000 0.948 108 H CA -0.165 55.884 56.048 0.002 0.000 1.369 108 H CB 0.661 30.423 29.762 0.000 0.000 1.293 108 H HN 0.468 nan 8.280 nan 0.000 0.575 109 P HA -0.133 nan 4.420 nan 0.000 0.217 109 P C 0.712 178.044 177.300 0.053 0.000 1.148 109 P CA 1.283 64.424 63.100 0.068 0.000 0.828 109 P CB -0.062 31.663 31.700 0.042 0.000 0.783 110 G N 1.517 110.351 108.800 0.056 0.000 2.401 110 G HA2 0.101 4.061 3.960 -0.000 0.000 0.288 110 G HA3 0.101 4.061 3.960 -0.000 0.000 0.288 110 G C 0.402 175.327 174.900 0.043 0.000 0.917 110 G CA -0.316 44.803 45.100 0.032 0.000 1.610 110 G HN 0.100 nan 8.290 nan 0.000 0.439 111 V N 5.085 125.016 119.914 0.029 0.000 2.278 111 V HA -0.086 4.034 4.120 -0.000 0.000 0.235 111 V C 0.902 177.011 176.094 0.025 0.000 1.281 111 V CA -0.165 62.150 62.300 0.026 0.000 1.351 111 V CB -1.024 30.810 31.823 0.019 0.000 1.411 111 V HN 0.682 nan 8.190 nan 0.000 0.491 112 I N 2.397 122.986 120.570 0.032 0.000 2.528 112 I HA 0.438 4.608 4.170 -0.000 0.000 0.276 112 I C 0.643 176.776 176.117 0.027 0.000 1.056 112 I CA 0.038 61.355 61.300 0.028 0.000 1.858 112 I CB -1.601 36.419 38.000 0.035 0.000 1.448 112 I HN 0.506 nan 8.210 nan 0.000 0.776 113 S N -0.193 115.523 115.700 0.026 0.000 2.663 113 S HA 0.879 5.349 4.470 -0.000 0.000 0.264 113 S C -0.325 174.294 174.600 0.032 0.000 1.112 113 S CA -0.541 57.677 58.200 0.029 0.000 0.823 113 S CB 0.687 63.908 63.200 0.037 0.000 1.111 113 S HN 0.682 nan 8.310 nan 0.000 0.476 114 G N -0.738 108.085 108.800 0.038 0.000 2.818 114 G HA2 0.633 4.593 3.960 -0.000 0.000 0.286 114 G HA3 0.633 4.593 3.960 -0.000 0.000 0.286 114 G C 0.014 174.953 174.900 0.065 0.000 1.364 114 G CA -0.876 44.250 45.100 0.042 0.000 0.938 114 G HN 0.879 nan 8.290 nan 0.000 0.490 115 L N -0.633 120.635 121.223 0.075 0.000 2.362 115 L HA 0.053 4.393 4.340 -0.000 0.000 0.219 115 L C 1.715 178.660 176.870 0.125 0.000 1.134 115 L CA 0.978 55.894 54.840 0.127 0.000 0.807 115 L CB 0.085 42.212 42.059 0.112 0.000 0.927 115 L HN 0.468 nan 8.230 nan 0.000 0.447 116 N N -1.666 117.070 118.700 0.060 0.000 2.205 116 N HA 0.043 4.783 4.740 -0.000 0.000 0.201 116 N C 0.072 175.584 175.510 0.004 0.000 1.128 116 N CA 0.012 53.071 53.050 0.015 0.000 0.867 116 N CB 0.543 39.036 38.487 0.010 0.000 0.996 116 N HN 0.021 nan 8.380 nan 0.000 0.503 117 S N 1.596 117.311 115.700 0.025 0.000 2.531 117 S HA 0.239 4.709 4.470 -0.000 0.000 0.279 117 S C -2.489 172.120 174.600 0.015 0.000 1.305 117 S CA -1.214 56.997 58.200 0.019 0.000 1.058 117 S CB 0.330 63.547 63.200 0.028 0.000 0.899 117 S HN -0.011 nan 8.310 nan 0.000 0.493 118 P HA 0.312 nan 4.420 nan 0.000 0.265 118 P C -1.362 175.947 177.300 0.016 0.000 1.222 118 P CA 0.052 63.152 63.100 -0.001 0.000 0.767 118 P CB 0.562 32.258 31.700 -0.006 0.000 0.801 119 A N 2.935 125.772 122.820 0.029 0.000 2.488 119 A HA 0.710 5.030 4.320 -0.000 0.000 0.298 119 A C -0.472 177.140 177.584 0.047 0.000 1.044 119 A CA -0.466 51.594 52.037 0.038 0.000 0.693 119 A CB 0.992 20.024 19.000 0.053 0.000 1.272 119 A HN 0.690 nan 8.150 nan 0.000 0.402 120 c N 0.518 119.137 118.600 0.032 0.000 3.080 120 c HA 0.917 5.487 4.570 -0.000 0.000 0.307 120 c C -0.528 173.571 174.090 0.016 0.000 1.311 120 c CA -0.910 55.440 56.329 0.035 0.000 1.533 120 c CB 0.757 43.281 42.510 0.022 0.000 1.970 120 c HN 0.896 nan 8.230 nan 0.000 0.467 121 M N 1.896 121.505 119.600 0.015 0.000 2.456 121 M HA 0.489 4.969 4.480 -0.000 0.000 0.324 121 M C -0.689 175.603 176.300 -0.013 0.000 1.124 121 M CA -0.517 54.777 55.300 -0.011 0.000 0.959 121 M CB 1.784 34.366 32.600 -0.029 0.000 1.692 121 M HN 0.643 nan 8.290 nan 0.000 0.444 122 L N 1.624 122.830 121.223 -0.028 0.000 2.455 122 L HA 0.106 4.446 4.340 -0.000 0.000 0.272 122 L C 1.159 178.016 176.870 -0.022 0.000 1.174 122 L CA -0.115 54.709 54.840 -0.027 0.000 0.869 122 L CB 0.846 42.884 42.059 -0.035 0.000 1.130 122 L HN 0.868 nan 8.230 nan 0.000 0.474 123 S N 2.212 117.902 115.700 -0.016 0.000 2.355 123 S HA -0.175 4.295 4.470 -0.000 0.000 0.222 123 S C 2.082 176.675 174.600 -0.012 0.000 1.031 123 S CA 1.113 59.309 58.200 -0.006 0.000 0.993 123 S CB -0.170 63.021 63.200 -0.016 0.000 0.859 123 S HN 0.834 nan 8.310 nan 0.000 0.453 124 A N 2.848 125.654 122.820 -0.024 0.000 1.896 124 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 124 A C 0.485 178.053 177.584 -0.027 0.000 1.206 124 A CA 2.123 54.143 52.037 -0.027 0.000 0.647 124 A CB -1.845 17.138 19.000 -0.028 0.000 0.828 124 A HN 0.538 nan 8.150 nan 0.000 0.455 125 P HA -0.035 nan 4.420 nan 0.000 0.217 125 P C 1.759 179.032 177.300 -0.046 0.000 1.154 125 P CA 0.978 64.050 63.100 -0.046 0.000 0.841 125 P CB -0.184 31.477 31.700 -0.066 0.000 0.790 126 L N 0.920 122.119 121.223 -0.040 0.000 2.013 126 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 126 L C 2.587 179.493 176.870 0.059 0.000 1.073 126 L CA 2.206 57.032 54.840 -0.024 0.000 0.753 126 L CB -1.457 40.602 42.059 -0.001 0.000 0.890 126 L HN -0.121 nan 8.230 nan 0.000 0.432 127 E N -0.118 120.133 120.200 0.085 0.000 2.051 127 E HA -0.281 4.069 4.350 -0.000 0.000 0.192 127 E C 2.297 179.001 176.600 0.173 0.000 0.991 127 E CA 1.693 58.193 56.400 0.166 0.000 0.799 127 E CB -0.291 29.444 29.700 0.059 0.000 0.748 127 E HN 0.452 nan 8.360 nan 0.000 0.449 128 K N -0.160 120.270 120.400 0.050 0.000 2.281 128 K HA -0.223 4.097 4.320 -0.000 0.000 0.203 128 K C 2.161 178.802 176.600 0.068 0.000 1.046 128 K CA 1.472 57.763 56.287 0.006 0.000 0.938 128 K CB -0.018 32.459 32.500 -0.039 0.000 0.737 128 K HN 0.182 nan 8.250 nan 0.000 0.458 129 Q N 0.048 119.883 119.800 0.059 0.000 2.123 129 Q HA 0.002 4.342 4.340 -0.000 0.000 0.196 129 Q C 2.026 178.076 176.000 0.084 0.000 0.958 129 Q CA 0.593 56.414 55.803 0.030 0.000 0.841 129 Q CB 0.159 28.826 28.738 -0.118 0.000 0.915 129 Q HN 0.290 nan 8.270 nan 0.000 0.455 130 L N -0.413 120.896 121.223 0.143 0.000 1.976 130 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 130 L C 0.704 177.594 176.870 0.034 0.000 1.071 130 L CA 0.897 55.813 54.840 0.127 0.000 0.746 130 L CB -0.236 41.965 42.059 0.237 0.000 0.890 130 L HN 0.183 nan 8.230 nan 0.000 0.432 131 F N -0.614 119.400 119.950 0.107 0.000 2.733 131 F HA 0.029 4.556 4.527 -0.000 0.000 0.344 131 F C 1.290 177.142 175.800 0.087 0.000 1.179 131 F CA -0.416 57.653 58.000 0.115 0.000 1.316 131 F CB -0.881 38.181 39.000 0.103 0.000 1.577 131 F HN 0.024 nan 8.300 nan 0.000 0.591 132 Y N 0.235 120.538 120.300 0.006 0.000 2.286 132 Y HA -0.019 4.531 4.550 -0.000 0.000 0.293 132 Y C 0.440 176.326 175.900 -0.022 0.000 1.124 132 Y CA 0.447 58.486 58.100 -0.101 0.000 1.178 132 Y CB -0.485 37.780 38.460 -0.325 0.000 1.010 132 Y HN 0.134 nan 8.280 nan 0.000 0.536 133 Y N 1.318 121.593 120.300 -0.042 0.000 2.336 133 Y HA 0.318 4.868 4.550 -0.000 0.000 0.331 133 Y C 0.076 175.944 175.900 -0.054 0.000 1.211 133 Y CA -0.467 57.537 58.100 -0.160 0.000 1.346 133 Y CB 0.497 38.895 38.460 -0.103 0.000 1.271 133 Y HN -0.192 nan 8.280 nan 0.000 0.538 134 I N 1.254 121.842 120.570 0.032 0.000 2.648 134 I HA 0.724 4.894 4.170 -0.000 0.000 0.304 134 I C 0.529 176.640 176.117 -0.009 0.000 1.009 134 I CA -0.297 60.953 61.300 -0.082 0.000 1.114 134 I CB 2.009 39.876 38.000 -0.222 0.000 1.293 134 I HN 0.818 nan 8.210 nan 0.000 0.449 135 G N 2.361 111.155 108.800 -0.010 0.000 2.791 135 G HA2 0.504 4.464 3.960 -0.000 0.000 0.158 135 G HA3 0.504 4.464 3.960 -0.000 0.000 0.158 135 G C -1.375 173.539 174.900 0.024 0.000 1.193 135 G CA -0.264 44.853 45.100 0.028 0.000 1.032 135 G HN 0.414 nan 8.290 nan 0.000 0.557 136 T N 1.751 116.329 114.554 0.041 0.000 3.089 136 T HA 0.272 4.622 4.350 -0.000 0.000 0.340 136 T C 1.017 175.743 174.700 0.043 0.000 1.008 136 T CA -0.568 61.556 62.100 0.041 0.000 1.096 136 T CB 1.342 70.233 68.868 0.038 0.000 1.024 136 T HN 0.253 nan 8.240 nan 0.000 0.477 137 M N 1.678 121.302 119.600 0.040 0.000 2.202 137 M HA 0.102 4.582 4.480 -0.000 0.000 0.262 137 M C 0.511 176.836 176.300 0.042 0.000 1.063 137 M CA 1.335 56.647 55.300 0.020 0.000 1.097 137 M CB -0.749 31.880 32.600 0.048 0.000 1.382 137 M HN 0.506 nan 8.290 nan 0.000 0.413 138 L N 1.374 122.638 121.223 0.069 0.000 2.324 138 L HA 0.334 4.674 4.340 -0.000 0.000 0.274 138 L C -1.961 174.995 176.870 0.144 0.000 1.012 138 L CA -1.843 53.065 54.840 0.113 0.000 0.859 138 L CB 0.945 43.069 42.059 0.109 0.000 1.224 138 L HN -0.036 nan 8.230 nan 0.000 0.429 139 P HA 0.021 nan 4.420 nan 0.000 0.288 139 P C -0.359 176.978 177.300 0.061 0.000 1.291 139 P CA -0.241 62.908 63.100 0.082 0.000 0.766 139 P CB 1.032 32.750 31.700 0.031 0.000 1.242 140 N N -1.602 117.097 118.700 -0.002 0.000 2.273 140 N HA 0.053 4.793 4.740 -0.000 0.000 0.231 140 N C -0.244 175.217 175.510 -0.081 0.000 1.134 140 N CA -0.113 52.924 53.050 -0.022 0.000 0.856 140 N CB -0.540 37.937 38.487 -0.017 0.000 1.068 140 N HN 0.400 nan 8.380 nan 0.000 0.510 141 T N -2.338 112.140 114.554 -0.125 0.000 2.918 141 T HA 0.170 4.520 4.350 -0.000 0.000 0.302 141 T C 1.526 176.080 174.700 -0.244 0.000 1.045 141 T CA -0.359 61.622 62.100 -0.198 0.000 1.114 141 T CB 1.157 69.843 68.868 -0.303 0.000 0.965 141 T HN 0.121 nan 8.240 nan 0.000 0.540 142 R N 2.188 122.530 120.500 -0.263 0.000 2.112 142 R HA -0.097 4.243 4.340 -0.000 0.000 0.242 142 R C -0.393 175.543 176.300 -0.607 0.000 1.137 142 R CA 2.097 57.926 56.100 -0.452 0.000 0.944 142 R CB -1.829 28.309 30.300 -0.269 0.000 0.857 142 R HN 0.673 nan 8.270 nan 0.000 0.435 143 P HA -0.207 nan 4.420 nan 0.000 0.213 143 P C 0.821 178.122 177.300 0.001 0.000 1.170 143 P CA 1.787 64.847 63.100 -0.066 0.000 0.902 143 P CB -0.381 31.334 31.700 0.025 0.000 0.789 144 H N -0.398 118.617 119.070 -0.092 0.000 2.353 144 H HA -0.022 4.534 4.556 -0.000 0.000 0.300 144 H C 2.335 177.626 175.328 -0.062 0.000 1.090 144 H CA 0.918 56.954 56.048 -0.020 0.000 1.327 144 H CB -0.371 29.451 29.762 0.099 0.000 1.383 144 H HN 0.139 nan 8.280 nan 0.000 0.508 145 S N 0.371 116.072 115.700 0.001 0.000 2.462 145 S HA -0.164 4.306 4.470 -0.000 0.000 0.243 145 S C 1.247 175.869 174.600 0.037 0.000 1.003 145 S CA 0.999 59.178 58.200 -0.035 0.000 0.970 145 S CB -0.227 62.894 63.200 -0.131 0.000 0.762 145 S HN 0.399 nan 8.310 nan 0.000 0.510 146 Y N -0.170 120.116 120.300 -0.024 0.000 2.448 146 Y HA 0.196 4.746 4.550 -0.000 0.000 0.289 146 Y C 2.128 177.976 175.900 -0.087 0.000 1.114 146 Y CA -0.550 57.542 58.100 -0.014 0.000 1.235 146 Y CB -0.500 37.983 38.460 0.038 0.000 1.045 146 Y HN 0.089 nan 8.280 nan 0.000 0.554 147 V N -1.872 117.897 119.914 -0.242 0.000 2.599 147 V HA 0.031 4.151 4.120 -0.000 0.000 0.237 147 V C 0.348 176.065 176.094 -0.628 0.000 1.081 147 V CA 0.389 62.204 62.300 -0.809 0.000 1.107 147 V CB -0.312 30.656 31.823 -1.424 0.000 0.808 147 V HN -0.151 nan 8.190 nan 0.000 0.486 148 F N -1.276 118.554 119.950 -0.199 0.000 2.370 148 F HA 0.494 5.021 4.527 -0.000 0.000 0.319 148 F C -0.211 175.529 175.800 -0.100 0.000 1.129 148 F CA -1.184 56.740 58.000 -0.127 0.000 1.109 148 F CB 0.105 39.058 39.000 -0.078 0.000 1.262 148 F HN -0.036 nan 8.300 nan 0.000 0.534 149 Y N 1.330 121.767 120.300 0.229 0.000 2.341 149 Y HA 0.180 4.730 4.550 -0.000 0.000 0.340 149 Y C 0.228 176.201 175.900 0.121 0.000 0.997 149 Y CA -0.731 57.449 58.100 0.133 0.000 1.149 149 Y CB 0.484 39.003 38.460 0.098 0.000 1.171 149 Y HN 0.356 nan 8.280 nan 0.000 0.494 150 Q N 3.485 123.439 119.800 0.257 0.000 2.859 150 Q HA -0.108 4.232 4.340 -0.000 0.000 0.364 150 Q C -0.822 175.272 176.000 0.157 0.000 1.067 150 Q CA 0.681 56.588 55.803 0.174 0.000 1.162 150 Q CB 0.341 29.160 28.738 0.135 0.000 1.023 150 Q HN 0.555 nan 8.270 nan 0.000 0.415 151 L N 3.248 124.547 121.223 0.128 0.000 2.354 151 L HA 0.580 4.920 4.340 -0.000 0.000 0.269 151 L C -0.803 176.114 176.870 0.078 0.000 1.005 151 L CA -0.407 54.498 54.840 0.108 0.000 0.819 151 L CB 1.893 44.029 42.059 0.127 0.000 1.311 151 L HN 0.615 nan 8.230 nan 0.000 0.423 152 R N 4.472 125.007 120.500 0.059 0.000 2.518 152 R HA 0.702 5.042 4.340 -0.000 0.000 0.296 152 R C -1.933 174.369 176.300 0.002 0.000 1.080 152 R CA -0.348 55.767 56.100 0.025 0.000 0.922 152 R CB 0.855 31.161 30.300 0.010 0.000 1.184 152 R HN 0.937 nan 8.270 nan 0.000 0.445 153 C N 0.368 119.663 119.300 -0.008 0.000 3.318 153 C HA 0.541 5.001 4.460 -0.000 0.000 0.322 153 C C -0.215 174.756 174.990 -0.031 0.000 1.398 153 C CA -1.246 57.758 59.018 -0.023 0.000 1.339 153 C CB 1.373 29.150 27.740 0.060 0.000 1.668 153 C HN 0.768 nan 8.230 nan 0.000 0.462 154 H N 1.174 120.286 119.070 0.071 0.000 3.001 154 H HA 0.431 4.987 4.556 -0.000 0.000 0.334 154 H C -0.061 175.412 175.328 0.241 0.000 1.034 154 H CA 1.095 57.221 56.048 0.130 0.000 1.420 154 H CB 0.577 30.423 29.762 0.140 0.000 1.405 154 H HN 0.627 nan 8.280 nan 0.000 0.593 155 L N 0.002 121.448 121.223 0.371 0.000 2.598 155 L HA 0.690 5.030 4.340 -0.000 0.000 0.246 155 L C -0.546 176.392 176.870 0.112 0.000 1.124 155 L CA -1.043 54.008 54.840 0.351 0.000 1.019 155 L CB 0.794 42.941 42.059 0.147 0.000 1.583 155 L HN 0.618 nan 8.230 nan 0.000 0.386 156 S N -1.302 114.372 115.700 -0.043 0.000 2.578 156 S HA 0.768 5.238 4.470 -0.000 0.000 0.285 156 S C -1.555 172.929 174.600 -0.194 0.000 1.126 156 S CA -0.608 57.443 58.200 -0.248 0.000 0.878 156 S CB 0.846 63.848 63.200 -0.329 0.000 1.091 156 S HN 1.540 nan 8.310 nan 0.000 0.450 157 Y N -0.679 119.528 120.300 -0.155 0.000 2.665 157 Y HA 0.905 5.455 4.550 -0.000 0.000 0.336 157 Y C -1.202 174.542 175.900 -0.260 0.000 1.085 157 Y CA -1.970 56.009 58.100 -0.201 0.000 1.096 157 Y CB 0.682 39.023 38.460 -0.197 0.000 1.301 157 Y HN 0.572 nan 8.280 nan 0.000 0.493 158 V N 1.522 121.453 119.914 0.030 0.000 2.340 158 V HA 0.756 4.876 4.120 -0.000 0.000 0.277 158 V C 0.150 176.165 176.094 -0.131 0.000 1.017 158 V CA -0.872 61.367 62.300 -0.103 0.000 0.820 158 V CB 0.176 31.881 31.823 -0.198 0.000 1.028 158 V HN 1.106 nan 8.190 nan 0.000 0.436 159 A N 4.843 127.623 122.820 -0.065 0.000 2.407 159 A HA 0.814 5.134 4.320 -0.000 0.000 0.248 159 A C -0.739 176.809 177.584 -0.060 0.000 1.082 159 A CA -0.084 51.865 52.037 -0.147 0.000 0.785 159 A CB 0.903 19.819 19.000 -0.140 0.000 1.020 159 A HN 0.830 nan 8.150 nan 0.000 0.489 160 L N 1.115 122.303 121.223 -0.058 0.000 2.472 160 L HA 0.707 5.047 4.340 -0.000 0.000 0.260 160 L C -0.487 176.388 176.870 0.008 0.000 0.963 160 L CA 0.215 55.075 54.840 0.033 0.000 0.829 160 L CB 2.265 44.407 42.059 0.138 0.000 1.348 160 L HN 0.683 nan 8.230 nan 0.000 0.408 161 S N 4.667 120.390 115.700 0.038 0.000 2.706 161 S HA 0.824 5.294 4.470 -0.000 0.000 0.270 161 S C -1.253 173.388 174.600 0.067 0.000 1.163 161 S CA -0.550 57.672 58.200 0.036 0.000 1.042 161 S CB 0.387 63.592 63.200 0.007 0.000 1.079 161 S HN 0.424 nan 8.310 nan 0.000 0.474 162 I N 3.117 123.756 120.570 0.114 0.000 3.067 162 I HA 0.547 4.717 4.170 -0.000 0.000 0.312 162 I C 0.750 176.910 176.117 0.072 0.000 1.073 162 I CA -0.894 60.455 61.300 0.081 0.000 1.016 162 I CB 1.103 39.126 38.000 0.039 0.000 1.227 162 I HN 0.763 nan 8.210 nan 0.000 0.456 163 N N 2.026 120.737 118.700 0.018 0.000 2.678 163 N HA -0.188 4.552 4.740 -0.000 0.000 0.249 163 N C 0.597 176.115 175.510 0.013 0.000 1.119 163 N CA 1.410 54.460 53.050 -0.001 0.000 0.718 163 N CB -1.157 37.318 38.487 -0.020 0.000 1.060 163 N HN 1.139 nan 8.380 nan 0.000 0.552 164 G N 0.367 109.178 108.800 0.019 0.000 2.415 164 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.283 164 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.283 164 G C 0.136 175.042 174.900 0.010 0.000 1.014 164 G CA 0.185 45.292 45.100 0.012 0.000 1.323 164 G HN 0.525 nan 8.290 nan 0.000 0.502 165 D N -1.387 119.021 120.400 0.013 0.000 3.070 165 D HA -0.185 4.455 4.640 -0.000 0.000 0.220 165 D C 1.619 177.922 176.300 0.005 0.000 1.176 165 D CA 1.805 55.804 54.000 -0.002 0.000 0.924 165 D CB -0.344 40.446 40.800 -0.017 0.000 1.124 165 D HN 0.747 nan 8.370 nan 0.000 0.411 166 K N -0.860 119.560 120.400 0.034 0.000 2.400 166 K HA 0.086 4.406 4.320 -0.000 0.000 0.194 166 K C 0.537 177.208 176.600 0.118 0.000 1.033 166 K CA 0.299 56.612 56.287 0.044 0.000 1.021 166 K CB 0.568 33.084 32.500 0.026 0.000 0.808 166 K HN 0.169 nan 8.250 nan 0.000 0.505 167 F N 1.560 121.483 119.950 -0.045 0.000 2.615 167 F HA 0.170 4.697 4.527 -0.000 0.000 0.312 167 F C -1.947 173.852 175.800 -0.003 0.000 1.119 167 F CA -0.684 57.300 58.000 -0.027 0.000 0.979 167 F CB 1.529 40.485 39.000 -0.072 0.000 1.266 167 F HN -0.122 nan 8.300 nan 0.000 0.444 168 Q N 4.931 124.324 119.800 -0.679 0.000 2.435 168 Q HA 0.441 4.781 4.340 -0.000 0.000 0.282 168 Q C -2.321 173.455 176.000 -0.375 0.000 1.020 168 Q CA -1.063 54.514 55.803 -0.376 0.000 0.820 168 Q CB 3.098 31.716 28.738 -0.199 0.000 1.436 168 Q HN 0.702 nan 8.270 nan 0.000 0.395 169 Y N 0.396 120.539 120.300 -0.262 0.000 2.499 169 Y HA 0.676 5.226 4.550 -0.000 0.000 0.347 169 Y C -1.500 174.313 175.900 -0.146 0.000 0.987 169 Y CA -0.603 57.402 58.100 -0.158 0.000 1.044 169 Y CB 2.785 41.265 38.460 0.032 0.000 1.245 169 Y HN 0.755 nan 8.280 nan 0.000 0.461 170 T N 3.860 117.868 114.554 -0.909 0.000 2.949 170 T HA 0.397 4.747 4.350 -0.000 0.000 0.300 170 T C -0.152 173.989 174.700 -0.932 0.000 0.988 170 T CA -0.419 61.214 62.100 -0.779 0.000 0.993 170 T CB 1.053 69.657 68.868 -0.440 0.000 0.984 170 T HN 0.946 nan 8.240 nan 0.000 0.442 171 G N 2.236 110.599 108.800 -0.728 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 0.412 175.227 174.900 -0.142 0.000 0.959 171 G CA -0.570 44.303 45.100 -0.378 0.000 1.823 171 G HN 0.975 nan 8.290 nan 0.000 0.615 172 A N 2.920 125.664 122.820 -0.126 0.000 2.451 172 A HA 0.668 4.988 4.320 -0.000 0.000 0.266 172 A C 0.362 177.885 177.584 -0.102 0.000 1.119 172 A CA -0.098 51.907 52.037 -0.053 0.000 0.786 172 A CB -0.026 18.939 19.000 -0.058 0.000 1.061 172 A HN 0.951 nan 8.150 nan 0.000 0.503 173 M N 1.802 121.358 119.600 -0.073 0.000 2.470 173 M HA 0.703 5.183 4.480 -0.000 0.000 0.285 173 M C -0.691 175.650 176.300 0.068 0.000 1.213 173 M CA -0.438 54.801 55.300 -0.102 0.000 0.901 173 M CB 1.963 34.599 32.600 0.060 0.000 1.718 173 M HN 0.485 nan 8.290 nan 0.000 0.469 174 T N -0.469 114.066 114.554 -0.031 0.000 2.883 174 T HA 0.473 4.823 4.350 -0.000 0.000 0.284 174 T C 0.961 175.779 174.700 0.197 0.000 1.041 174 T CA 0.101 62.285 62.100 0.139 0.000 1.007 174 T CB 1.512 70.264 68.868 -0.193 0.000 1.220 174 T HN 0.936 nan 8.240 nan 0.000 0.552 175 S N 0.346 115.848 115.700 -0.330 0.000 2.547 175 S HA 0.060 4.530 4.470 -0.000 0.000 0.235 175 S C 1.252 175.949 174.600 0.163 0.000 0.980 175 S CA 0.737 58.721 58.200 -0.360 0.000 0.941 175 S CB -0.286 62.520 63.200 -0.655 0.000 0.763 175 S HN 0.683 nan 8.310 nan 0.000 0.532 176 K N -0.303 120.270 120.400 0.288 0.000 2.462 176 K HA 0.322 4.642 4.320 -0.000 0.000 0.201 176 K C -0.178 176.778 176.600 0.594 0.000 1.268 176 K CA 0.194 56.764 56.287 0.472 0.000 0.933 176 K CB 0.790 33.495 32.500 0.342 0.000 1.162 176 K HN 0.587 nan 8.250 nan 0.000 0.527 177 F N -0.408 119.650 119.950 0.181 0.000 2.654 177 F HA 0.551 5.078 4.527 -0.000 0.000 0.308 177 F C -1.555 173.911 175.800 -0.557 0.000 1.108 177 F CA -1.685 56.174 58.000 -0.235 0.000 0.957 177 F CB 0.910 39.819 39.000 -0.152 0.000 1.309 177 F HN -0.299 nan 8.300 nan 0.000 0.446 178 L N 3.999 124.744 121.223 -0.797 0.000 2.331 178 L HA 0.755 5.095 4.340 -0.000 0.000 0.275 178 L C -1.092 175.772 176.870 -0.009 0.000 1.022 178 L CA -0.729 53.786 54.840 -0.541 0.000 0.812 178 L CB 1.866 43.566 42.059 -0.598 0.000 1.257 178 L HN 0.918 nan 8.230 nan 0.000 0.435 179 M N 4.358 123.968 119.600 0.017 0.000 2.167 179 M HA 0.371 4.851 4.480 -0.000 0.000 0.218 179 M C -0.731 175.612 176.300 0.071 0.000 0.968 179 M CA -0.229 55.137 55.300 0.110 0.000 1.004 179 M CB 0.629 33.288 32.600 0.097 0.000 2.485 179 M HN 0.833 nan 8.290 nan 0.000 0.404 180 G N 2.144 111.055 108.800 0.186 0.000 2.444 180 G HA2 0.585 4.545 3.960 -0.000 0.000 0.268 180 G HA3 0.585 4.545 3.960 -0.000 0.000 0.268 180 G C -0.256 174.628 174.900 -0.026 0.000 1.203 180 G CA -0.099 45.079 45.100 0.130 0.000 0.835 180 G HN 0.623 nan 8.290 nan 0.000 0.543 181 T N -1.009 113.478 114.554 -0.111 0.000 2.848 181 T HA 0.579 4.929 4.350 -0.000 0.000 0.285 181 T C -1.073 173.536 174.700 -0.151 0.000 0.995 181 T CA -0.760 61.261 62.100 -0.133 0.000 0.970 181 T CB 1.314 70.180 68.868 -0.005 0.000 0.976 181 T HN 0.324 nan 8.240 nan 0.000 0.441 182 Y N 1.430 121.706 120.300 -0.039 0.000 2.352 182 Y HA 0.693 5.243 4.550 -0.000 0.000 0.326 182 Y C 0.599 176.475 175.900 -0.041 0.000 1.166 182 Y CA -1.203 56.825 58.100 -0.120 0.000 1.182 182 Y CB 1.659 39.932 38.460 -0.312 0.000 1.216 182 Y HN 0.752 nan 8.280 nan 0.000 0.474 183 K N 3.575 123.977 120.400 0.004 0.000 2.652 183 K HA 0.400 4.720 4.320 -0.000 0.000 0.249 183 K C -1.232 175.309 176.600 -0.099 0.000 0.986 183 K CA -0.661 55.619 56.287 -0.011 0.000 0.867 183 K CB 1.315 33.742 32.500 -0.121 0.000 1.201 183 K HN 0.787 nan 8.250 nan 0.000 0.450 184 R N 2.760 123.316 120.500 0.094 0.000 2.902 184 R HA 0.684 5.024 4.340 -0.000 0.000 0.258 184 R C -1.423 174.909 176.300 0.052 0.000 1.071 184 R CA -0.698 55.481 56.100 0.132 0.000 1.024 184 R CB 1.924 32.314 30.300 0.150 0.000 1.184 184 R HN 0.332 nan 8.270 nan 0.000 0.492 185 V N 1.822 121.764 119.914 0.048 0.000 2.612 185 V HA 0.222 4.342 4.120 -0.000 0.000 0.301 185 V C -0.085 176.017 176.094 0.013 0.000 1.059 185 V CA -0.829 61.475 62.300 0.008 0.000 0.886 185 V CB 1.890 33.705 31.823 -0.012 0.000 1.007 185 V HN 0.921 nan 8.190 nan 0.000 0.426 186 T N 2.472 117.039 114.554 0.021 0.000 2.698 186 T HA 0.109 4.459 4.350 -0.000 0.000 0.295 186 T C 1.320 176.020 174.700 -0.000 0.000 1.007 186 T CA -0.489 61.625 62.100 0.023 0.000 0.980 186 T CB 0.629 69.527 68.868 0.051 0.000 1.036 186 T HN 0.731 nan 8.240 nan 0.000 0.526 187 E N 0.283 120.481 120.200 -0.002 0.000 2.171 187 E HA -0.089 4.261 4.350 -0.000 0.000 0.197 187 E C 0.863 177.458 176.600 -0.009 0.000 0.997 187 E CA 1.215 57.610 56.400 -0.008 0.000 0.810 187 E CB -0.110 29.586 29.700 -0.007 0.000 0.738 187 E HN 0.489 nan 8.360 nan 0.000 0.467 188 K N -0.421 119.974 120.400 -0.008 0.000 2.179 188 K HA 0.318 4.638 4.320 -0.000 0.000 0.238 188 K C 1.168 177.754 176.600 -0.024 0.000 1.033 188 K CA 0.240 56.520 56.287 -0.013 0.000 0.926 188 K CB 0.770 33.265 32.500 -0.008 0.000 1.151 188 K HN 0.016 nan 8.250 nan 0.000 0.492 189 G N 1.019 109.803 108.800 -0.027 0.000 3.028 189 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.205 189 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.205 189 G C -0.355 174.510 174.900 -0.059 0.000 1.182 189 G CA 0.081 45.158 45.100 -0.037 0.000 0.860 189 G HN 0.535 nan 8.290 nan 0.000 0.507 190 D N 0.636 120.993 120.400 -0.072 0.000 2.450 190 D HA 0.154 4.794 4.640 -0.000 0.000 0.247 190 D C 0.134 176.315 176.300 -0.199 0.000 1.162 190 D CA 0.529 54.441 54.000 -0.148 0.000 0.879 190 D CB 0.998 41.714 40.800 -0.139 0.000 1.163 190 D HN 0.361 nan 8.370 nan 0.000 0.472 191 E N 2.541 122.598 120.200 -0.239 0.000 2.141 191 E HA 0.134 4.484 4.350 -0.000 0.000 0.259 191 E C -0.862 175.590 176.600 -0.248 0.000 0.883 191 E CA -0.730 55.557 56.400 -0.189 0.000 0.744 191 E CB 0.472 30.105 29.700 -0.112 0.000 1.150 191 E HN 0.399 nan 8.360 nan 0.000 0.420 192 H N 2.608 121.650 119.070 -0.048 0.000 2.467 192 H HA 0.382 4.938 4.556 -0.000 0.000 0.326 192 H C -0.301 174.949 175.328 -0.130 0.000 1.094 192 H CA -0.541 55.410 56.048 -0.163 0.000 1.253 192 H CB 1.509 31.236 29.762 -0.058 0.000 1.439 192 H HN 0.334 nan 8.280 nan 0.000 0.479 193 V N 2.075 121.803 119.914 -0.310 0.000 2.841 193 V HA 0.642 4.762 4.120 -0.000 0.000 0.310 193 V C -1.022 175.094 176.094 0.035 0.000 1.090 193 V CA -0.992 61.301 62.300 -0.012 0.000 0.930 193 V CB 2.182 33.892 31.823 -0.188 0.000 1.014 193 V HN 0.457 nan 8.190 nan 0.000 0.425 194 L N 3.489 124.681 121.223 -0.052 0.000 2.526 194 L HA 0.953 5.293 4.340 -0.000 0.000 0.263 194 L C -0.412 176.391 176.870 -0.112 0.000 0.943 194 L CA 0.099 54.856 54.840 -0.137 0.000 0.859 194 L CB 2.168 43.935 42.059 -0.487 0.000 1.313 194 L HN 1.174 nan 8.230 nan 0.000 0.406 195 S N 4.284 119.980 115.700 -0.006 0.000 2.599 195 S HA 0.890 5.360 4.470 -0.000 0.000 0.294 195 S C -0.886 173.678 174.600 -0.060 0.000 1.094 195 S CA -0.911 57.262 58.200 -0.047 0.000 0.931 195 S CB 1.774 65.030 63.200 0.094 0.000 1.093 195 S HN 0.705 nan 8.310 nan 0.000 0.488 196 L N 1.536 122.670 121.223 -0.148 0.000 2.346 196 L HA 0.696 5.036 4.340 -0.000 0.000 0.276 196 L C -1.245 175.639 176.870 0.023 0.000 1.006 196 L CA -1.085 53.654 54.840 -0.168 0.000 0.817 196 L CB 2.069 43.745 42.059 -0.638 0.000 1.272 196 L HN 0.536 nan 8.230 nan 0.000 0.421 197 V N 2.618 122.613 119.914 0.135 0.000 2.407 197 V HA 0.427 4.547 4.120 -0.000 0.000 0.291 197 V C -0.752 175.551 176.094 0.348 0.000 1.018 197 V CA -0.547 61.889 62.300 0.226 0.000 0.842 197 V CB 1.641 33.551 31.823 0.146 0.000 0.996 197 V HN 0.460 nan 8.190 nan 0.000 0.426 198 F N 3.207 123.305 119.950 0.246 0.000 2.522 198 F HA 0.980 5.507 4.527 -0.000 0.000 0.324 198 F C 0.375 176.282 175.800 0.178 0.000 1.077 198 F CA 0.299 58.466 58.000 0.278 0.000 0.944 198 F CB 2.087 41.308 39.000 0.368 0.000 1.175 198 F HN 0.852 nan 8.300 nan 0.000 0.468 199 G N 3.615 111.995 108.800 -0.699 0.000 2.361 199 G HA2 0.122 4.082 3.960 -0.000 0.000 0.305 199 G HA3 0.122 4.082 3.960 -0.000 0.000 0.305 199 G C -1.880 172.918 174.900 -0.171 0.000 1.367 199 G CA -1.331 43.563 45.100 -0.344 0.000 0.951 199 G HN 0.656 nan 8.290 nan 0.000 0.615 200 K N 0.864 121.149 120.400 -0.191 0.000 2.447 200 K HA 0.221 4.541 4.320 -0.000 0.000 0.281 200 K C 1.621 178.075 176.600 -0.243 0.000 1.031 200 K CA 0.560 56.603 56.287 -0.406 0.000 1.019 200 K CB 0.618 32.917 32.500 -0.335 0.000 0.918 200 K HN 0.521 nan 8.250 nan 0.000 0.476 201 T N 2.791 117.208 114.554 -0.229 0.000 2.751 201 T HA -0.255 4.095 4.350 -0.000 0.000 0.268 201 T C 1.616 176.192 174.700 -0.207 0.000 1.045 201 T CA 2.038 64.013 62.100 -0.208 0.000 1.142 201 T CB -0.168 68.617 68.868 -0.138 0.000 0.851 201 T HN 0.649 nan 8.240 nan 0.000 0.474 202 K N 1.122 121.426 120.400 -0.160 0.000 2.365 202 K HA -0.006 4.314 4.320 -0.000 0.000 0.199 202 K C 1.259 177.799 176.600 -0.100 0.000 1.045 202 K CA 1.309 57.529 56.287 -0.111 0.000 0.962 202 K CB 0.157 32.606 32.500 -0.084 0.000 0.759 202 K HN 0.166 nan 8.250 nan 0.000 0.469 203 D N 0.423 120.754 120.400 -0.115 0.000 2.349 203 D HA 0.068 4.708 4.640 -0.000 0.000 0.214 203 D C -0.161 176.000 176.300 -0.231 0.000 1.063 203 D CA -0.097 53.855 54.000 -0.080 0.000 0.847 203 D CB 0.153 40.982 40.800 0.048 0.000 0.933 203 D HN 0.076 nan 8.370 nan 0.000 0.513 204 L N 2.147 123.161 121.223 -0.348 0.000 2.514 204 L HA 0.068 4.408 4.340 -0.000 0.000 0.280 204 L C -1.670 174.990 176.870 -0.349 0.000 1.223 204 L CA -0.580 53.937 54.840 -0.538 0.000 0.864 204 L CB -0.594 40.961 42.059 -0.839 0.000 1.118 204 L HN -0.174 nan 8.230 nan 0.000 0.494 205 P HA -0.032 nan 4.420 nan 0.000 0.272 205 P C -1.109 176.291 177.300 0.166 0.000 1.239 205 P CA -0.069 62.895 63.100 -0.227 0.000 0.807 205 P CB 0.349 31.760 31.700 -0.481 0.000 0.951 206 D N 0.567 121.088 120.400 0.202 0.000 2.277 206 D HA 0.193 4.833 4.640 -0.000 0.000 0.249 206 D C 0.114 176.636 176.300 0.370 0.000 1.134 206 D CA -0.090 54.078 54.000 0.280 0.000 0.863 206 D CB 0.532 41.468 40.800 0.226 0.000 1.143 206 D HN 0.185 nan 8.370 nan 0.000 0.458 207 L N 2.174 123.525 121.223 0.213 0.000 2.371 207 L HA 0.281 4.621 4.340 -0.000 0.000 0.272 207 L C 1.859 178.802 176.870 0.122 0.000 1.124 207 L CA -0.414 54.451 54.840 0.042 0.000 0.816 207 L CB 1.242 43.216 42.059 -0.140 0.000 1.129 207 L HN 0.316 nan 8.230 nan 0.000 0.448 208 R N 1.981 122.420 120.500 -0.103 0.000 1.841 208 R HA 0.150 4.490 4.340 -0.000 0.000 0.157 208 R C 1.067 177.327 176.300 -0.067 0.000 1.339 208 R CA 0.570 56.449 56.100 -0.370 0.000 1.482 208 R CB -0.536 29.369 30.300 -0.659 0.000 0.808 208 R HN 0.795 nan 8.270 nan 0.000 0.551 209 G N 0.515 109.301 108.800 -0.024 0.000 2.443 209 G HA2 0.002 3.962 3.960 -0.000 0.000 0.286 209 G HA3 0.002 3.962 3.960 -0.000 0.000 0.286 209 G C -2.036 172.710 174.900 -0.257 0.000 1.393 209 G CA -0.755 44.259 45.100 -0.144 0.000 1.080 209 G HN 0.362 nan 8.290 nan 0.000 0.566 210 P HA 0.197 nan 4.420 nan 0.000 0.238 210 P C -1.073 175.780 177.300 -0.746 0.000 1.679 210 P CA 0.424 63.172 63.100 -0.587 0.000 1.080 210 P CB -0.474 30.803 31.700 -0.705 0.000 1.961 211 F N 0.521 120.381 119.950 -0.151 0.000 2.532 211 F HA 0.470 4.997 4.527 -0.000 0.000 0.321 211 F C 0.455 176.182 175.800 -0.123 0.000 1.089 211 F CA -0.656 57.289 58.000 -0.092 0.000 0.926 211 F CB 1.770 40.667 39.000 -0.171 0.000 1.168 211 F HN -0.110 nan 8.300 nan 0.000 0.459 212 S N 1.729 117.513 115.700 0.140 0.000 2.647 212 S HA 0.343 4.813 4.470 -0.000 0.000 0.300 212 S C 0.229 174.866 174.600 0.063 0.000 1.129 212 S CA -0.721 57.517 58.200 0.063 0.000 1.029 212 S CB 0.551 63.791 63.200 0.067 0.000 1.007 212 S HN 0.638 nan 8.310 nan 0.000 0.484 213 Y N 2.725 123.066 120.300 0.068 0.000 2.181 213 Y HA -0.159 4.391 4.550 -0.000 0.000 0.284 213 Y C -0.232 175.683 175.900 0.023 0.000 1.179 213 Y CA 2.340 60.464 58.100 0.040 0.000 1.179 213 Y CB -1.262 37.218 38.460 0.033 0.000 0.973 213 Y HN 0.570 nan 8.280 nan 0.000 0.519 214 P HA -0.193 nan 4.420 nan 0.000 0.215 214 P C 1.261 178.598 177.300 0.062 0.000 1.157 214 P CA 2.361 65.521 63.100 0.099 0.000 0.874 214 P CB -0.265 31.479 31.700 0.074 0.000 0.790 215 S N -1.667 114.068 115.700 0.059 0.000 2.786 215 S HA 0.122 4.592 4.470 -0.000 0.000 0.223 215 S C 1.492 176.076 174.600 -0.026 0.000 0.956 215 S CA 0.195 58.404 58.200 0.015 0.000 0.961 215 S CB -1.035 62.197 63.200 0.054 0.000 0.784 215 S HN 0.139 nan 8.310 nan 0.000 0.519 216 L N -0.385 120.849 121.223 0.018 0.000 3.284 216 L HA 0.218 4.558 4.340 -0.000 0.000 0.294 216 L C -0.036 176.874 176.870 0.067 0.000 1.183 216 L CA 0.014 54.861 54.840 0.011 0.000 1.056 216 L CB 0.459 42.518 42.059 -0.000 0.000 1.513 216 L HN 0.139 nan 8.230 nan 0.000 0.601 217 T N -0.801 113.800 114.554 0.080 0.000 2.869 217 T HA 0.105 4.455 4.350 -0.000 0.000 0.295 217 T C 0.960 175.655 174.700 -0.009 0.000 0.987 217 T CA 0.227 62.355 62.100 0.047 0.000 1.109 217 T CB 2.329 71.217 68.868 0.033 0.000 0.932 217 T HN -0.060 nan 8.240 nan 0.000 0.518 218 S N 1.295 116.971 115.700 -0.040 0.000 2.468 218 S HA 0.495 4.965 4.470 -0.000 0.000 0.226 218 S C 0.551 175.067 174.600 -0.141 0.000 1.051 218 S CA 0.076 58.242 58.200 -0.055 0.000 0.943 218 S CB 0.187 63.376 63.200 -0.017 0.000 0.810 218 S HN 0.896 nan 8.310 nan 0.000 0.509 219 A N 0.842 123.472 122.820 -0.316 0.000 2.422 219 A HA 0.762 5.082 4.320 -0.000 0.000 0.302 219 A C -0.968 176.232 177.584 -0.640 0.000 1.041 219 A CA -0.481 51.228 52.037 -0.546 0.000 0.708 219 A CB 1.527 19.963 19.000 -0.939 0.000 1.257 219 A HN 0.350 nan 8.150 nan 0.000 0.414 220 Q N 1.391 121.031 119.800 -0.266 0.000 2.331 220 Q HA 0.661 5.001 4.340 -0.000 0.000 0.272 220 Q C -0.763 175.363 176.000 0.210 0.000 1.062 220 Q CA -0.397 55.399 55.803 -0.012 0.000 0.806 220 Q CB 2.070 30.810 28.738 0.003 0.000 1.312 220 Q HN 0.794 nan 8.270 nan 0.000 0.431 221 S N 0.724 116.648 115.700 0.373 0.000 2.667 221 S HA 0.464 4.934 4.470 -0.000 0.000 0.292 221 S C 0.909 175.623 174.600 0.189 0.000 1.108 221 S CA -0.096 58.304 58.200 0.333 0.000 0.992 221 S CB 0.728 64.189 63.200 0.435 0.000 1.269 221 S HN 0.842 nan 8.310 nan 0.000 0.528 222 G N 0.166 109.056 108.800 0.149 0.000 2.484 222 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.218 222 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.218 222 G C -0.102 174.815 174.900 0.029 0.000 1.130 222 G CA 0.983 46.129 45.100 0.077 0.000 0.784 222 G HN 0.748 nan 8.290 nan 0.000 0.543 223 D N -2.946 117.465 120.400 0.017 0.000 2.682 223 D HA 0.150 4.790 4.640 -0.000 0.000 0.291 223 D C -0.689 175.444 176.300 -0.278 0.000 1.585 223 D CA -0.625 53.292 54.000 -0.138 0.000 0.845 223 D CB -0.350 40.319 40.800 -0.220 0.000 1.323 223 D HN 0.223 nan 8.370 nan 0.000 0.438 224 Y N 0.603 120.958 120.300 0.091 0.000 2.462 224 Y HA 0.729 5.279 4.550 -0.000 0.000 0.346 224 Y C -0.042 176.031 175.900 0.288 0.000 0.976 224 Y CA -0.815 57.363 58.100 0.130 0.000 1.044 224 Y CB 2.557 41.109 38.460 0.155 0.000 1.230 224 Y HN -0.200 nan 8.280 nan 0.000 0.455 225 S N 2.307 118.230 115.700 0.371 0.000 2.595 225 S HA 0.667 5.137 4.470 -0.000 0.000 0.281 225 S C -2.026 172.734 174.600 0.267 0.000 1.117 225 S CA -0.683 57.621 58.200 0.173 0.000 0.873 225 S CB 2.150 65.334 63.200 -0.026 0.000 1.108 225 S HN 0.447 nan 8.310 nan 0.000 0.477 226 L N 2.702 123.949 121.223 0.040 0.000 2.427 226 L HA 0.587 4.927 4.340 -0.000 0.000 0.264 226 L C -1.309 175.605 176.870 0.075 0.000 0.989 226 L CA -0.324 54.617 54.840 0.169 0.000 0.865 226 L CB 0.974 43.074 42.059 0.069 0.000 1.209 226 L HN 0.483 nan 8.230 nan 0.000 0.430 227 V N 5.361 125.352 119.914 0.130 0.000 2.644 227 V HA 0.460 4.580 4.120 -0.000 0.000 0.295 227 V C 0.284 176.446 176.094 0.113 0.000 1.053 227 V CA -0.418 61.966 62.300 0.140 0.000 0.987 227 V CB 1.733 33.707 31.823 0.251 0.000 1.006 227 V HN 0.526 nan 8.190 nan 0.000 0.472 228 I N 3.877 124.506 120.570 0.100 0.000 2.405 228 I HA 0.331 4.501 4.170 -0.000 0.000 0.280 228 I C -0.694 175.466 176.117 0.072 0.000 1.027 228 I CA -0.508 60.843 61.300 0.086 0.000 1.161 228 I CB 1.491 39.563 38.000 0.119 0.000 1.300 228 I HN 0.270 nan 8.210 nan 0.000 0.463 229 V N 5.045 124.997 119.914 0.063 0.000 2.348 229 V HA 0.615 4.735 4.120 -0.000 0.000 0.270 229 V C 0.165 176.300 176.094 0.068 0.000 1.037 229 V CA -0.032 62.278 62.300 0.017 0.000 0.872 229 V CB 1.072 32.919 31.823 0.040 0.000 1.002 229 V HN 0.842 nan 8.190 nan 0.000 0.464 230 T N 2.711 117.292 114.554 0.047 0.000 2.770 230 T HA 0.418 4.768 4.350 -0.000 0.000 0.323 230 T C -0.420 174.333 174.700 0.089 0.000 1.683 230 T CA 0.124 62.297 62.100 0.122 0.000 1.024 230 T CB 1.866 70.811 68.868 0.129 0.000 1.557 230 T HN 0.889 nan 8.240 nan 0.000 0.494 231 T N 0.617 115.294 114.554 0.205 0.000 2.918 231 T HA 0.560 4.910 4.350 -0.000 0.000 0.283 231 T C 1.061 175.829 174.700 0.112 0.000 1.001 231 T CA -0.472 61.688 62.100 0.100 0.000 1.041 231 T CB 0.604 69.537 68.868 0.109 0.000 1.028 231 T HN 0.403 nan 8.240 nan 0.000 0.511 232 F N 1.063 121.118 119.950 0.176 0.000 2.134 232 F HA -0.039 4.488 4.527 -0.000 0.000 0.299 232 F C 2.688 178.580 175.800 0.154 0.000 1.097 232 F CA 1.090 59.212 58.000 0.204 0.000 1.264 232 F CB -1.048 38.028 39.000 0.127 0.000 1.001 232 F HN 0.425 nan 8.300 nan 0.000 0.479 233 V N -0.432 119.622 119.914 0.234 0.000 2.324 233 V HA -0.335 3.785 4.120 -0.000 0.000 0.250 233 V C 2.409 178.563 176.094 0.100 0.000 1.060 233 V CA 2.175 64.530 62.300 0.092 0.000 1.042 233 V CB -0.881 30.907 31.823 -0.057 0.000 0.650 233 V HN 0.369 nan 8.190 nan 0.000 0.450 234 H N -1.480 117.748 119.070 0.264 0.000 2.343 234 H HA -0.091 4.465 4.556 -0.000 0.000 0.303 234 H C 2.185 177.653 175.328 0.234 0.000 1.068 234 H CA 1.773 57.981 56.048 0.268 0.000 1.359 234 H CB -0.694 29.294 29.762 0.377 0.000 1.402 234 H HN 0.505 nan 8.280 nan 0.000 0.515 235 Y N 1.792 122.227 120.300 0.225 0.000 2.283 235 Y HA -0.281 4.269 4.550 -0.000 0.000 0.285 235 Y C 2.502 178.459 175.900 0.096 0.000 1.176 235 Y CA 1.203 59.339 58.100 0.061 0.000 1.229 235 Y CB -0.335 37.989 38.460 -0.225 0.000 0.975 235 Y HN 0.203 nan 8.280 nan 0.000 0.537 236 A N 0.170 123.052 122.820 0.105 0.000 1.841 236 A HA -0.234 4.086 4.320 -0.000 0.000 0.214 236 A C 2.139 179.661 177.584 -0.104 0.000 1.195 236 A CA 1.728 53.765 52.037 -0.000 0.000 0.611 236 A CB -1.137 17.893 19.000 0.051 0.000 0.835 236 A HN 0.575 nan 8.150 nan 0.000 0.443 237 N N -1.612 116.976 118.700 -0.188 0.000 2.348 237 N HA -0.134 4.606 4.740 -0.000 0.000 0.185 237 N C 1.162 176.448 175.510 -0.374 0.000 1.019 237 N CA 1.542 54.396 53.050 -0.326 0.000 0.880 237 N CB -0.314 37.702 38.487 -0.785 0.000 0.965 237 N HN 0.394 nan 8.380 nan 0.000 0.437 238 F N -0.635 119.101 119.950 -0.357 0.000 2.317 238 F HA 0.103 4.630 4.527 -0.000 0.000 0.293 238 F C 2.367 177.750 175.800 -0.696 0.000 1.085 238 F CA 0.703 58.331 58.000 -0.620 0.000 1.390 238 F CB -0.569 38.226 39.000 -0.341 0.000 1.077 238 F HN 0.265 nan 8.300 nan 0.000 0.517 239 H N 0.415 119.210 119.070 -0.459 0.000 2.543 239 H HA -0.094 4.462 4.556 -0.000 0.000 0.286 239 H C 1.400 176.556 175.328 -0.288 0.000 1.037 239 H CA 0.875 56.642 56.048 -0.468 0.000 1.250 239 H CB -0.073 29.349 29.762 -0.567 0.000 1.373 239 H HN 0.209 nan 8.280 nan 0.000 0.580 240 N N 0.242 118.839 118.700 -0.172 0.000 2.331 240 N HA -0.130 4.610 4.740 -0.000 0.000 0.180 240 N C 0.759 176.269 175.510 0.000 0.000 1.019 240 N CA 1.201 54.227 53.050 -0.039 0.000 0.881 240 N CB 0.073 38.583 38.487 0.038 0.000 0.972 240 N HN 0.655 nan 8.380 nan 0.000 0.435 241 Y N -3.765 116.508 120.300 -0.044 0.000 2.666 241 Y HA 0.426 4.976 4.550 -0.000 0.000 0.260 241 Y C -0.609 175.317 175.900 0.043 0.000 1.089 241 Y CA -1.039 57.039 58.100 -0.037 0.000 1.246 241 Y CB -0.233 38.186 38.460 -0.069 0.000 1.353 241 Y HN -0.203 nan 8.280 nan 0.000 0.558 242 F N 2.180 121.865 119.950 -0.440 0.000 2.771 242 F HA 0.686 5.213 4.527 -0.000 0.000 0.365 242 F C -1.519 174.054 175.800 -0.377 0.000 1.169 242 F CA -1.974 55.824 58.000 -0.337 0.000 1.093 242 F CB 1.517 40.303 39.000 -0.356 0.000 1.363 242 F HN -0.171 nan 8.300 nan 0.000 0.496 243 V N 7.623 127.149 119.914 -0.648 0.000 2.260 243 V HA 0.296 4.416 4.120 -0.000 0.000 0.263 243 V C -1.994 173.756 176.094 -0.573 0.000 1.036 243 V CA -1.246 60.669 62.300 -0.641 0.000 0.874 243 V CB 0.380 31.920 31.823 -0.472 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 -0.093 177.081 177.300 -0.209 0.000 1.209 244 P CA -0.091 62.700 63.100 -0.516 0.000 0.776 244 P CB 0.934 32.261 31.700 -0.621 0.000 0.876 245 N N 2.495 121.151 118.700 -0.075 0.000 3.303 245 N HA 0.043 4.783 4.740 -0.000 0.000 0.304 245 N C 1.402 176.943 175.510 0.053 0.000 1.302 245 N CA -0.123 52.925 53.050 -0.003 0.000 1.213 245 N CB -0.647 37.858 38.487 0.029 0.000 1.481 245 N HN 0.352 nan 8.380 nan 0.000 0.546 246 L N 0.510 121.756 121.223 0.038 0.000 2.151 246 L HA -0.350 3.990 4.340 -0.000 0.000 0.219 246 L C 2.258 179.220 176.870 0.155 0.000 1.083 246 L CA 1.644 56.541 54.840 0.094 0.000 0.782 246 L CB -0.388 41.699 42.059 0.047 0.000 0.891 246 L HN 0.360 nan 8.230 nan 0.000 0.439 247 K N 0.032 120.502 120.400 0.116 0.000 1.971 247 K HA -0.205 4.115 4.320 -0.000 0.000 0.221 247 K C 1.781 178.488 176.600 0.178 0.000 1.050 247 K CA 2.057 58.430 56.287 0.142 0.000 0.967 247 K CB -0.429 32.128 32.500 0.094 0.000 0.733 247 K HN 0.277 nan 8.250 nan 0.000 0.445 248 D N 0.600 121.074 120.400 0.125 0.000 2.144 248 D HA -0.166 4.474 4.640 -0.000 0.000 0.199 248 D C 1.793 178.166 176.300 0.121 0.000 0.984 248 D CA 1.047 55.107 54.000 0.100 0.000 0.834 248 D CB -0.218 40.626 40.800 0.073 0.000 0.955 248 D HN 0.190 nan 8.370 nan 0.000 0.465 249 M N -0.694 119.009 119.600 0.171 0.000 2.202 249 M HA -0.180 4.300 4.480 -0.000 0.000 0.262 249 M C 1.790 178.223 176.300 0.222 0.000 1.063 249 M CA 1.236 56.669 55.300 0.223 0.000 1.097 249 M CB 0.011 32.769 32.600 0.264 0.000 1.382 249 M HN 0.010 nan 8.290 nan 0.000 0.413 250 F N 0.040 120.038 119.950 0.080 0.000 2.147 250 F HA -0.034 4.493 4.527 -0.000 0.000 0.291 250 F C 2.252 178.055 175.800 0.006 0.000 1.093 250 F CA 1.666 59.700 58.000 0.056 0.000 1.263 250 F CB -0.704 38.373 39.000 0.127 0.000 1.036 250 F HN 0.085 nan 8.300 nan 0.000 0.481 251 S N 0.795 116.501 115.700 0.009 0.000 2.359 251 S HA -0.282 4.188 4.470 -0.000 0.000 0.222 251 S C 2.136 176.618 174.600 -0.197 0.000 1.038 251 S CA 1.720 59.853 58.200 -0.112 0.000 1.051 251 S CB -0.608 62.607 63.200 0.024 0.000 0.944 251 S HN 0.347 nan 8.310 nan 0.000 0.433 252 R N 0.903 121.330 120.500 -0.122 0.000 2.139 252 R HA -0.080 4.260 4.340 -0.000 0.000 0.243 252 R C 2.080 178.261 176.300 -0.199 0.000 1.145 252 R CA 1.208 57.234 56.100 -0.124 0.000 0.976 252 R CB -0.345 29.875 30.300 -0.135 0.000 0.866 252 R HN 0.422 nan 8.270 nan 0.000 0.449 253 A N -0.636 121.960 122.820 -0.373 0.000 2.208 253 A HA 0.052 4.372 4.320 -0.000 0.000 0.209 253 A C 1.626 178.767 177.584 -0.739 0.000 1.161 253 A CA 0.557 52.092 52.037 -0.837 0.000 0.782 253 A CB 0.376 18.814 19.000 -0.935 0.000 0.816 253 A HN 0.179 nan 8.150 nan 0.000 0.477 254 V N -0.896 118.684 119.914 -0.556 0.000 2.840 254 V HA 0.008 4.128 4.120 -0.000 0.000 0.234 254 V C 1.379 177.298 176.094 -0.291 0.000 1.159 254 V CA 1.446 63.447 62.300 -0.497 0.000 1.194 254 V CB -0.306 31.158 31.823 -0.598 0.000 0.971 254 V HN 0.565 nan 8.190 nan 0.000 0.494 255 T N 0.366 114.794 114.554 -0.210 0.000 3.364 255 T HA 0.650 5.000 4.350 -0.000 0.000 0.323 255 T C -0.587 174.064 174.700 -0.082 0.000 1.323 255 T CA 0.110 62.148 62.100 -0.104 0.000 1.073 255 T CB -0.076 68.754 68.868 -0.063 0.000 1.150 255 T HN 0.285 nan 8.240 nan 0.000 0.727 256 M N 2.736 122.297 119.600 -0.066 0.000 2.363 256 M HA 0.200 4.680 4.480 -0.000 0.000 0.256 256 M C -0.250 176.070 176.300 0.034 0.000 1.005 256 M CA -0.298 54.998 55.300 -0.007 0.000 0.890 256 M CB 1.805 34.414 32.600 0.015 0.000 2.101 256 M HN 0.576 nan 8.290 nan 0.000 0.476 257 T N 2.603 117.212 114.554 0.092 0.000 2.939 257 T HA 0.340 4.690 4.350 -0.000 0.000 0.319 257 T C 1.223 176.028 174.700 0.174 0.000 1.082 257 T CA 0.950 63.153 62.100 0.170 0.000 1.133 257 T CB 0.952 69.952 68.868 0.220 0.000 1.019 257 T HN 0.836 nan 8.240 nan 0.000 0.548 258 A N 4.916 127.876 122.820 0.234 0.000 1.869 258 A HA -0.032 4.288 4.320 -0.000 0.000 0.218 258 A C 2.778 180.385 177.584 0.039 0.000 1.203 258 A CA 2.708 54.832 52.037 0.144 0.000 0.638 258 A CB -1.665 17.468 19.000 0.222 0.000 0.831 258 A HN 1.420 nan 8.150 nan 0.000 0.450 259 A N -0.974 121.797 122.820 -0.083 0.000 1.917 259 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 259 A C 2.477 180.060 177.584 -0.002 0.000 1.182 259 A CA 2.394 54.353 52.037 -0.130 0.000 0.633 259 A CB -1.018 17.851 19.000 -0.219 0.000 0.819 259 A HN 0.508 nan 8.150 nan 0.000 0.448 260 S N -1.907 113.830 115.700 0.062 0.000 2.356 260 S HA -0.166 4.304 4.470 -0.000 0.000 0.223 260 S C 1.863 176.548 174.600 0.142 0.000 1.032 260 S CA 1.483 59.741 58.200 0.096 0.000 1.005 260 S CB -0.586 62.675 63.200 0.101 0.000 0.867 260 S HN 0.659 nan 8.310 nan 0.000 0.449 261 Y N 2.420 122.743 120.300 0.037 0.000 2.207 261 Y HA -0.200 4.350 4.550 -0.000 0.000 0.287 261 Y C 2.424 178.378 175.900 0.091 0.000 1.156 261 Y CA 0.885 59.034 58.100 0.081 0.000 1.182 261 Y CB -0.803 37.669 38.460 0.019 0.000 0.979 261 Y HN 0.226 nan 8.280 nan 0.000 0.521 262 A N 0.205 123.064 122.820 0.066 0.000 1.908 262 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 262 A C 2.342 179.867 177.584 -0.098 0.000 1.181 262 A CA 2.125 54.120 52.037 -0.071 0.000 0.627 262 A CB -0.779 18.139 19.000 -0.137 0.000 0.818 262 A HN 0.538 nan 8.150 nan 0.000 0.445 263 R N -2.062 118.417 120.500 -0.036 0.000 2.093 263 R HA -0.129 4.211 4.340 -0.000 0.000 0.224 263 R C 2.082 178.357 176.300 -0.042 0.000 1.101 263 R CA 1.522 57.610 56.100 -0.021 0.000 0.979 263 R CB -0.580 29.742 30.300 0.038 0.000 0.877 263 R HN 0.592 nan 8.270 nan 0.000 0.441 264 Y N 0.477 120.701 120.300 -0.127 0.000 2.193 264 Y HA -0.230 4.320 4.550 -0.000 0.000 0.285 264 Y C 1.646 177.433 175.900 -0.187 0.000 1.166 264 Y CA 1.803 59.813 58.100 -0.149 0.000 1.181 264 Y CB -0.382 37.963 38.460 -0.192 0.000 0.976 264 Y HN -0.090 nan 8.280 nan 0.000 0.520 265 V N 0.045 119.639 119.914 -0.534 0.000 2.346 265 V HA -0.229 3.891 4.120 -0.000 0.000 0.244 265 V C 2.411 178.320 176.094 -0.309 0.000 1.037 265 V CA 1.534 63.511 62.300 -0.540 0.000 1.029 265 V CB -0.871 30.739 31.823 -0.355 0.000 0.663 265 V HN 0.484 nan 8.190 nan 0.000 0.454 266 L N 0.064 121.170 121.223 -0.195 0.000 2.043 266 L HA -0.278 4.062 4.340 -0.000 0.000 0.212 266 L C 2.525 179.324 176.870 -0.119 0.000 1.075 266 L CA 2.094 56.865 54.840 -0.116 0.000 0.752 266 L CB -0.535 41.485 42.059 -0.065 0.000 0.891 266 L HN 0.373 nan 8.230 nan 0.000 0.432 267 Q N -0.930 118.785 119.800 -0.143 0.000 2.079 267 Q HA -0.242 4.098 4.340 -0.000 0.000 0.200 267 Q C 2.329 178.242 176.000 -0.145 0.000 0.974 267 Q CA 1.626 57.359 55.803 -0.116 0.000 0.840 267 Q CB -0.215 28.472 28.738 -0.085 0.000 0.898 267 Q HN 0.471 nan 8.270 nan 0.000 0.430 268 K N 0.618 120.863 120.400 -0.258 0.000 2.103 268 K HA -0.149 4.171 4.320 -0.000 0.000 0.207 268 K C 2.022 178.542 176.600 -0.133 0.000 1.048 268 K CA 0.987 57.131 56.287 -0.239 0.000 0.930 268 K CB -0.038 32.218 32.500 -0.406 0.000 0.716 268 K HN 0.186 nan 8.250 nan 0.000 0.444 269 L N 0.035 121.183 121.223 -0.126 0.000 2.044 269 L HA -0.161 4.179 4.340 -0.000 0.000 0.205 269 L C 2.289 179.109 176.870 -0.084 0.000 1.075 269 L CA 0.715 55.504 54.840 -0.085 0.000 0.747 269 L CB -0.500 41.507 42.059 -0.087 0.000 0.903 269 L HN -0.017 nan 8.230 nan 0.000 0.435 270 V N 0.466 120.332 119.914 -0.081 0.000 2.324 270 V HA -0.329 3.791 4.120 -0.000 0.000 0.250 270 V C 2.481 178.546 176.094 -0.049 0.000 1.060 270 V CA 2.009 64.270 62.300 -0.066 0.000 1.042 270 V CB -0.537 31.258 31.823 -0.047 0.000 0.650 270 V HN 0.357 nan 8.190 nan 0.000 0.450 271 L N -0.391 120.807 121.223 -0.041 0.000 1.970 271 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 271 L C 2.224 179.082 176.870 -0.020 0.000 1.071 271 L CA 2.005 56.832 54.840 -0.021 0.000 0.751 271 L CB -0.604 41.441 42.059 -0.022 0.000 0.889 271 L HN 0.168 nan 8.230 nan 0.000 0.432 272 L N 0.004 121.213 121.223 -0.024 0.000 2.129 272 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 272 L C 2.591 179.444 176.870 -0.028 0.000 1.087 272 L CA 1.824 56.658 54.840 -0.010 0.000 0.757 272 L CB -0.909 41.160 42.059 0.017 0.000 0.896 272 L HN 0.484 nan 8.230 nan 0.000 0.434 273 E N -0.684 119.481 120.200 -0.059 0.000 2.047 273 E HA -0.218 4.132 4.350 -0.000 0.000 0.191 273 E C 2.219 178.786 176.600 -0.055 0.000 0.987 273 E CA 1.118 57.469 56.400 -0.081 0.000 0.799 273 E CB -0.072 29.561 29.700 -0.111 0.000 0.752 273 E HN 0.445 nan 8.360 nan 0.000 0.449 274 M N 0.096 119.674 119.600 -0.036 0.000 2.460 274 M HA -0.102 4.378 4.480 -0.000 0.000 0.263 274 M C 1.561 177.859 176.300 -0.005 0.000 1.071 274 M CA 1.039 56.331 55.300 -0.013 0.000 1.096 274 M CB 0.110 32.719 32.600 0.014 0.000 1.408 274 M HN -0.106 nan 8.290 nan 0.000 0.463 275 K N -0.078 120.317 120.400 -0.008 0.000 2.458 275 K HA 0.146 4.466 4.320 -0.000 0.000 0.194 275 K C 1.096 177.692 176.600 -0.006 0.000 1.024 275 K CA 0.408 56.693 56.287 -0.002 0.000 1.108 275 K CB 0.177 32.678 32.500 0.001 0.000 0.846 275 K HN 0.488 nan 8.250 nan 0.000 0.518 276 G N 0.896 109.687 108.800 -0.015 0.000 2.189 276 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.267 276 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.267 276 G C 0.800 175.696 174.900 -0.007 0.000 0.975 276 G CA 0.276 45.367 45.100 -0.016 0.000 0.644 276 G HN 0.479 nan 8.290 nan 0.000 0.537 277 G N -0.844 107.958 108.800 0.002 0.000 2.807 277 G HA2 0.086 4.046 3.960 -0.000 0.000 0.207 277 G HA3 0.086 4.046 3.960 -0.000 0.000 0.207 277 G C 1.234 176.173 174.900 0.065 0.000 1.151 277 G CA 1.467 46.590 45.100 0.039 0.000 0.800 277 G HN 0.741 nan 8.290 nan 0.000 0.523 278 c N -0.749 117.846 118.600 -0.008 0.000 2.974 278 c HA 0.421 4.991 4.570 -0.000 0.000 0.282 278 c C 1.955 176.037 174.090 -0.014 0.000 1.292 278 c CA -0.374 55.923 56.329 -0.053 0.000 1.710 278 c CB -0.605 41.817 42.510 -0.146 0.000 2.036 278 c HN 0.537 nan 8.230 nan 0.000 0.629 279 R N -0.403 120.101 120.500 0.007 0.000 2.637 279 R HA 0.106 4.446 4.340 -0.000 0.000 0.262 279 R C -0.048 176.258 176.300 0.010 0.000 0.959 279 R CA 0.102 56.205 56.100 0.004 0.000 1.061 279 R CB 0.406 30.698 30.300 -0.013 0.000 1.610 279 R HN 0.189 nan 8.270 nan 0.000 0.548 280 E N 1.365 121.572 120.200 0.013 0.000 4.044 280 E HA 0.216 4.566 4.350 -0.000 0.000 0.216 280 E C -2.613 173.991 176.600 0.006 0.000 1.104 280 E CA -1.743 54.657 56.400 0.000 0.000 1.383 280 E CB 1.375 31.069 29.700 -0.010 0.000 1.195 280 E HN -0.024 nan 8.360 nan 0.000 0.442 281 P HA -0.113 nan 4.420 nan 0.000 0.242 281 P C -0.087 177.173 177.300 -0.067 0.000 1.116 281 P CA 0.549 63.674 63.100 0.042 0.000 0.954 281 P CB 0.005 31.733 31.700 0.047 0.000 0.908 282 E N 2.764 122.929 120.200 -0.058 0.000 2.344 282 E HA 0.104 4.454 4.350 -0.000 0.000 0.270 282 E C -0.136 176.350 176.600 -0.189 0.000 1.021 282 E CA -0.017 56.318 56.400 -0.108 0.000 0.887 282 E CB 0.182 29.845 29.700 -0.061 0.000 0.997 282 E HN 0.348 nan 8.360 nan 0.000 0.429 283 L N 5.546 126.599 121.223 -0.283 0.000 2.466 283 L HA 0.219 4.559 4.340 -0.000 0.000 0.248 283 L C -0.514 176.210 176.870 -0.244 0.000 1.240 283 L CA -0.309 54.270 54.840 -0.435 0.000 1.180 283 L CB -0.650 40.993 42.059 -0.694 0.000 1.413 283 L HN 0.555 nan 8.230 nan 0.000 0.406 284 D N -2.746 117.587 120.400 -0.112 0.000 2.497 284 D HA 0.297 4.937 4.640 -0.000 0.000 0.243 284 D C 1.276 177.633 176.300 0.094 0.000 1.039 284 D CA -0.269 53.741 54.000 0.016 0.000 1.052 284 D CB 0.704 41.503 40.800 -0.002 0.000 1.344 284 D HN 0.099 nan 8.370 nan 0.000 0.553 285 T N -2.585 112.048 114.554 0.133 0.000 2.665 285 T HA -0.299 4.051 4.350 -0.000 0.000 0.268 285 T C 1.510 176.304 174.700 0.158 0.000 1.035 285 T CA 1.765 63.974 62.100 0.182 0.000 1.151 285 T CB -0.661 68.210 68.868 0.006 0.000 0.862 285 T HN 0.618 nan 8.240 nan 0.000 0.438 286 E N 0.930 121.179 120.200 0.082 0.000 2.023 286 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 286 E C 2.344 178.990 176.600 0.076 0.000 1.003 286 E CA 1.900 58.343 56.400 0.072 0.000 0.809 286 E CB -0.510 29.215 29.700 0.042 0.000 0.755 286 E HN 0.579 nan 8.360 nan 0.000 0.449 287 T N 1.203 115.783 114.554 0.045 0.000 2.720 287 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 287 T C 1.817 176.518 174.700 0.001 0.000 1.037 287 T CA 1.215 63.330 62.100 0.026 0.000 1.144 287 T CB -0.219 68.628 68.868 -0.035 0.000 0.864 287 T HN 0.068 nan 8.240 nan 0.000 0.444 288 L N 0.688 121.894 121.223 -0.028 0.000 2.093 288 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 288 L C 2.792 179.709 176.870 0.078 0.000 1.085 288 L CA 1.579 56.331 54.840 -0.146 0.000 0.755 288 L CB -1.052 40.708 42.059 -0.497 0.000 0.904 288 L HN 0.234 nan 8.230 nan 0.000 0.435 289 T N -1.296 113.422 114.554 0.274 0.000 2.652 289 T HA -0.232 4.118 4.350 -0.000 0.000 0.267 289 T C 1.879 176.735 174.700 0.259 0.000 1.039 289 T CA 2.188 64.495 62.100 0.345 0.000 1.153 289 T CB -0.599 68.425 68.868 0.260 0.000 0.863 289 T HN 0.619 nan 8.240 nan 0.000 0.428 290 T N 1.426 116.073 114.554 0.155 0.000 2.685 290 T HA -0.219 4.131 4.350 -0.000 0.000 0.268 290 T C 2.011 176.789 174.700 0.131 0.000 1.034 290 T CA 1.555 63.714 62.100 0.098 0.000 1.149 290 T CB -0.740 68.164 68.868 0.060 0.000 0.860 290 T HN 0.287 nan 8.240 nan 0.000 0.449 291 M N 0.171 119.846 119.600 0.124 0.000 2.110 291 M HA -0.002 4.478 4.480 -0.000 0.000 0.257 291 M C 2.174 178.569 176.300 0.159 0.000 1.071 291 M CA 2.328 57.687 55.300 0.099 0.000 1.096 291 M CB -0.732 31.792 32.600 -0.126 0.000 1.300 291 M HN 0.303 nan 8.290 nan 0.000 0.411 292 F N 1.455 121.364 119.950 -0.069 0.000 2.126 292 F HA -0.220 4.307 4.527 -0.000 0.000 0.299 292 F C 2.163 178.104 175.800 0.236 0.000 1.096 292 F CA 1.835 59.898 58.000 0.104 0.000 1.255 292 F CB -0.406 38.665 39.000 0.119 0.000 0.997 292 F HN 0.205 nan 8.300 nan 0.000 0.479 293 E N -0.410 119.856 120.200 0.110 0.000 2.150 293 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 293 E C 2.387 179.049 176.600 0.103 0.000 0.985 293 E CA 1.294 57.741 56.400 0.078 0.000 0.814 293 E CB -0.397 29.378 29.700 0.125 0.000 0.752 293 E HN 0.335 nan 8.360 nan 0.000 0.466 294 V N 1.795 121.787 119.914 0.129 0.000 2.343 294 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 294 V C 2.568 178.840 176.094 0.296 0.000 1.051 294 V CA 2.159 64.574 62.300 0.192 0.000 1.036 294 V CB -0.481 31.471 31.823 0.214 0.000 0.654 294 V HN 0.363 nan 8.190 nan 0.000 0.451 295 S N -0.698 115.143 115.700 0.234 0.000 2.414 295 S HA -0.087 4.383 4.470 -0.000 0.000 0.227 295 S C 1.896 176.627 174.600 0.219 0.000 1.022 295 S CA 1.197 59.520 58.200 0.206 0.000 0.958 295 S CB -0.218 63.082 63.200 0.168 0.000 0.797 295 S HN 0.315 nan 8.310 nan 0.000 0.493 296 V N 2.526 122.481 119.914 0.069 0.000 2.515 296 V HA -0.078 4.042 4.120 -0.000 0.000 0.250 296 V C 3.098 179.366 176.094 0.291 0.000 1.058 296 V CA 1.503 63.857 62.300 0.090 0.000 1.064 296 V CB -1.469 30.224 31.823 -0.217 0.000 0.675 296 V HN 0.648 nan 8.190 nan 0.000 0.461 297 A N -0.412 122.661 122.820 0.422 0.000 1.902 297 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 297 A C 2.032 179.702 177.584 0.143 0.000 1.181 297 A CA 1.819 54.078 52.037 0.370 0.000 0.623 297 A CB -0.665 18.452 19.000 0.196 0.000 0.818 297 A HN 0.467 nan 8.150 nan 0.000 0.443 298 F N -1.661 118.348 119.950 0.098 0.000 2.206 298 F HA -0.024 4.503 4.527 -0.000 0.000 0.298 298 F C 1.977 177.848 175.800 0.118 0.000 1.090 298 F CA 1.334 59.358 58.000 0.041 0.000 1.323 298 F CB -0.525 38.490 39.000 0.025 0.000 1.028 298 F HN 0.362 nan 8.300 nan 0.000 0.492 299 F N 1.231 121.321 119.950 0.232 0.000 2.102 299 F HA -0.182 4.345 4.527 -0.000 0.000 0.298 299 F C 2.308 178.237 175.800 0.215 0.000 1.105 299 F CA 1.542 59.671 58.000 0.215 0.000 1.239 299 F CB -0.586 38.523 39.000 0.183 0.000 0.991 299 F HN -0.279 nan 8.300 nan 0.000 0.474 300 K N 0.564 120.914 120.400 -0.084 0.000 2.034 300 K HA -0.176 4.144 4.320 -0.000 0.000 0.214 300 K C 2.227 178.785 176.600 -0.069 0.000 1.051 300 K CA 1.840 58.020 56.287 -0.179 0.000 0.931 300 K CB -1.086 31.369 32.500 -0.076 0.000 0.715 300 K HN 0.287 nan 8.250 nan 0.000 0.446 301 V N 0.375 120.274 119.914 -0.026 0.000 2.332 301 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 301 V C 2.467 178.612 176.094 0.085 0.000 1.055 301 V CA 2.225 64.523 62.300 -0.003 0.000 1.038 301 V CB -0.987 30.692 31.823 -0.241 0.000 0.651 301 V HN 0.475 nan 8.190 nan 0.000 0.450 302 G N -1.626 107.253 108.800 0.132 0.000 2.408 302 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 302 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 302 G C 1.551 176.572 174.900 0.201 0.000 1.150 302 G CA 0.808 46.109 45.100 0.335 0.000 0.776 302 G HN 0.609 nan 8.290 nan 0.000 0.542 303 H N 0.725 119.714 119.070 -0.136 0.000 2.524 303 H HA 0.168 4.724 4.556 -0.000 0.000 0.282 303 H C 2.585 177.854 175.328 -0.097 0.000 1.016 303 H CA 0.861 56.774 56.048 -0.225 0.000 1.270 303 H CB 0.238 29.609 29.762 -0.652 0.000 1.394 303 H HN 0.346 nan 8.280 nan 0.000 0.568 304 A N 0.286 123.088 122.820 -0.030 0.000 1.854 304 A HA -0.070 4.250 4.320 -0.000 0.000 0.214 304 A C 2.600 180.156 177.584 -0.048 0.000 1.192 304 A CA 1.179 53.199 52.037 -0.029 0.000 0.611 304 A CB -0.787 18.288 19.000 0.125 0.000 0.832 304 A HN 0.248 nan 8.150 nan 0.000 0.442 305 V N 0.312 120.259 119.914 0.055 0.000 2.720 305 V HA -0.138 3.982 4.120 -0.000 0.000 0.256 305 V C 2.575 178.656 176.094 -0.022 0.000 1.082 305 V CA 1.613 63.948 62.300 0.059 0.000 1.101 305 V CB -1.367 30.559 31.823 0.171 0.000 0.693 305 V HN 0.614 nan 8.190 nan 0.000 0.479 306 G N -0.369 108.382 108.800 -0.082 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 1.418 176.210 174.900 -0.179 0.000 1.189 306 G CA 0.350 45.362 45.100 -0.146 0.000 0.796 306 G HN 0.445 nan 8.290 nan 0.000 0.532 307 E N 0.863 120.904 120.200 -0.266 0.000 2.114 307 E HA -0.142 4.208 4.350 -0.000 0.000 0.199 307 E C 1.982 178.496 176.600 -0.143 0.000 1.008 307 E CA 1.581 57.844 56.400 -0.228 0.000 0.810 307 E CB -0.819 28.732 29.700 -0.249 0.000 0.739 307 E HN 0.525 nan 8.360 nan 0.000 0.456 308 T N -0.521 113.957 114.554 -0.127 0.000 3.783 308 T HA 0.435 4.785 4.350 -0.000 0.000 0.262 308 T C 0.541 175.196 174.700 -0.074 0.000 1.381 308 T CA -0.159 61.882 62.100 -0.098 0.000 1.155 308 T CB 0.030 68.835 68.868 -0.105 0.000 1.256 308 T HN 0.058 nan 8.240 nan 0.000 0.807 309 G N 1.575 110.332 108.800 -0.072 0.000 2.398 309 G HA2 0.283 4.243 3.960 -0.000 0.000 0.246 309 G HA3 0.283 4.243 3.960 -0.000 0.000 0.246 309 G C 0.610 175.483 174.900 -0.046 0.000 1.289 309 G CA -0.700 44.366 45.100 -0.057 0.000 0.869 309 G HN 0.594 nan 8.290 nan 0.000 0.543 310 N N -0.024 118.653 118.700 -0.038 0.000 2.714 310 N HA -0.170 4.570 4.740 -0.000 0.000 0.250 310 N C 0.914 176.404 175.510 -0.034 0.000 1.117 310 N CA 1.299 54.330 53.050 -0.032 0.000 0.719 310 N CB -1.122 37.348 38.487 -0.029 0.000 1.081 310 N HN 0.886 nan 8.380 nan 0.000 0.557 311 G N -0.973 107.805 108.800 -0.038 0.000 2.890 311 G HA2 0.613 4.573 3.960 -0.000 0.000 0.189 311 G HA3 0.613 4.573 3.960 -0.000 0.000 0.189 311 G C -0.730 174.150 174.900 -0.034 0.000 1.342 311 G CA 0.147 45.222 45.100 -0.041 0.000 1.026 311 G HN 0.394 nan 8.290 nan 0.000 0.579 312 c N 0.349 118.927 118.600 -0.037 0.000 2.716 312 c HA 0.550 5.120 4.570 -0.000 0.000 0.366 312 c C -0.375 173.701 174.090 -0.024 0.000 1.073 312 c CA -0.763 55.552 56.329 -0.023 0.000 1.260 312 c CB 0.289 42.788 42.510 -0.018 0.000 1.755 312 c HN 0.796 nan 8.230 nan 0.000 0.475 313 V N 2.793 122.709 119.914 0.004 0.000 2.432 313 V HA 0.454 4.574 4.120 -0.000 0.000 0.275 313 V C 0.175 176.321 176.094 0.086 0.000 1.043 313 V CA -0.147 62.170 62.300 0.028 0.000 0.925 313 V CB 1.278 33.171 31.823 0.115 0.000 0.985 313 V HN 0.872 nan 8.190 nan 0.000 0.466 314 D N 3.119 123.575 120.400 0.092 0.000 2.488 314 D HA 0.012 4.652 4.640 -0.000 0.000 0.238 314 D C 0.781 177.208 176.300 0.212 0.000 1.138 314 D CA -0.117 53.958 54.000 0.125 0.000 0.873 314 D CB 1.257 42.123 40.800 0.111 0.000 1.183 314 D HN 0.603 nan 8.370 nan 0.000 0.458 315 L N 4.585 125.911 121.223 0.171 0.000 2.127 315 L HA -0.116 4.224 4.340 -0.000 0.000 0.211 315 L C 2.054 179.123 176.870 0.332 0.000 1.089 315 L CA 1.660 56.625 54.840 0.208 0.000 0.757 315 L CB -0.303 41.871 42.059 0.192 0.000 0.899 315 L HN 0.485 nan 8.230 nan 0.000 0.434 316 R N -1.471 119.233 120.500 0.339 0.000 2.096 316 R HA -0.229 4.111 4.340 -0.000 0.000 0.235 316 R C 2.178 178.673 176.300 0.326 0.000 1.127 316 R CA 1.757 58.101 56.100 0.406 0.000 0.968 316 R CB -0.828 29.490 30.300 0.030 0.000 0.861 316 R HN 0.614 nan 8.270 nan 0.000 0.440 317 W N 2.212 123.594 121.300 0.136 0.000 2.354 317 W HA -0.190 4.470 4.660 -0.000 0.000 0.315 317 W C 1.502 178.118 176.519 0.162 0.000 1.206 317 W CA 1.432 58.850 57.345 0.121 0.000 1.290 317 W CB -0.256 29.257 29.460 0.087 0.000 1.152 317 W HN 0.048 nan 8.180 nan 0.000 0.489 318 L N 1.255 122.598 121.223 0.200 0.000 1.994 318 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 318 L C 2.921 179.848 176.870 0.095 0.000 1.071 318 L CA 1.594 56.534 54.840 0.166 0.000 0.745 318 L CB -1.769 40.377 42.059 0.145 0.000 0.892 318 L HN -0.064 nan 8.230 nan 0.000 0.431 319 A N -0.089 122.773 122.820 0.071 0.000 2.042 319 A HA -0.273 4.047 4.320 -0.000 0.000 0.222 319 A C 2.444 180.035 177.584 0.012 0.000 1.167 319 A CA 2.256 54.292 52.037 -0.001 0.000 0.649 319 A CB -0.456 18.474 19.000 -0.117 0.000 0.809 319 A HN 0.429 nan 8.150 nan 0.000 0.457 320 K N -1.231 119.162 120.400 -0.011 0.000 2.121 320 K HA 0.030 4.350 4.320 -0.000 0.000 0.203 320 K C 2.245 178.787 176.600 -0.097 0.000 1.041 320 K CA 1.004 57.268 56.287 -0.038 0.000 0.969 320 K CB -0.041 32.404 32.500 -0.091 0.000 0.799 320 K HN 0.392 nan 8.250 nan 0.000 0.456 321 S N 0.764 116.251 115.700 -0.356 0.000 2.348 321 S HA -0.082 4.388 4.470 -0.000 0.000 0.221 321 S C 1.621 176.073 174.600 -0.248 0.000 1.033 321 S CA 1.294 59.230 58.200 -0.440 0.000 1.010 321 S CB -0.372 62.371 63.200 -0.762 0.000 0.891 321 S HN 0.260 nan 8.310 nan 0.000 0.442 322 F N 0.702 120.539 119.950 -0.189 0.000 2.408 322 F HA -0.009 4.518 4.527 -0.000 0.000 0.300 322 F C 1.785 177.525 175.800 -0.100 0.000 1.090 322 F CA 0.576 58.499 58.000 -0.128 0.000 1.427 322 F CB -0.273 38.688 39.000 -0.065 0.000 1.070 322 F HN 0.213 nan 8.300 nan 0.000 0.549 323 F N 1.244 121.161 119.950 -0.056 0.000 2.098 323 F HA -0.119 4.408 4.527 -0.000 0.000 0.294 323 F C 2.304 178.001 175.800 -0.173 0.000 1.107 323 F CA 1.454 59.386 58.000 -0.113 0.000 1.234 323 F CB -0.591 38.338 39.000 -0.119 0.000 1.002 323 F HN -0.198 nan 8.300 nan 0.000 0.472 324 E N 0.895 120.860 120.200 -0.391 0.000 2.219 324 E HA -0.209 4.141 4.350 -0.000 0.000 0.198 324 E C 2.406 178.721 176.600 -0.476 0.000 0.998 324 E CA 1.299 57.419 56.400 -0.468 0.000 0.818 324 E CB -0.580 28.987 29.700 -0.223 0.000 0.741 324 E HN 0.502 nan 8.360 nan 0.000 0.477 325 L N 0.288 121.223 121.223 -0.480 0.000 2.095 325 L HA -0.101 4.239 4.340 -0.000 0.000 0.204 325 L C 2.480 179.155 176.870 -0.325 0.000 1.080 325 L CA 1.213 55.703 54.840 -0.583 0.000 0.759 325 L CB -0.527 41.066 42.059 -0.777 0.000 0.914 325 L HN 0.080 nan 8.230 nan 0.000 0.439 326 T N -0.590 113.796 114.554 -0.280 0.000 2.708 326 T HA -0.220 4.130 4.350 -0.000 0.000 0.266 326 T C 1.886 176.406 174.700 -0.300 0.000 1.037 326 T CA 1.596 63.579 62.100 -0.195 0.000 1.146 326 T CB -0.374 68.398 68.868 -0.160 0.000 0.865 326 T HN 0.173 nan 8.240 nan 0.000 0.435 327 V N 1.233 120.806 119.914 -0.570 0.000 2.407 327 V HA -0.084 4.036 4.120 -0.000 0.000 0.248 327 V C 2.237 178.165 176.094 -0.277 0.000 1.055 327 V CA 1.460 63.400 62.300 -0.600 0.000 1.049 327 V CB -0.492 30.780 31.823 -0.918 0.000 0.662 327 V HN 0.380 nan 8.190 nan 0.000 0.455 328 L N 0.772 121.858 121.223 -0.229 0.000 2.027 328 L HA -0.123 4.217 4.340 -0.000 0.000 0.206 328 L C 2.531 179.423 176.870 0.036 0.000 1.074 328 L CA 2.660 57.454 54.840 -0.077 0.000 0.745 328 L CB -0.974 41.038 42.059 -0.079 0.000 0.898 328 L HN 0.398 nan 8.230 nan 0.000 0.433 329 K N -0.727 119.734 120.400 0.101 0.000 2.113 329 K HA -0.223 4.097 4.320 -0.000 0.000 0.208 329 K C 1.645 178.261 176.600 0.028 0.000 1.047 329 K CA 1.893 58.260 56.287 0.133 0.000 0.928 329 K CB -0.221 32.381 32.500 0.169 0.000 0.716 329 K HN 0.453 nan 8.250 nan 0.000 0.446 330 D N 0.931 121.316 120.400 -0.025 0.000 2.084 330 D HA -0.180 4.460 4.640 -0.000 0.000 0.196 330 D C 1.967 178.239 176.300 -0.046 0.000 0.985 330 D CA 1.180 55.155 54.000 -0.041 0.000 0.826 330 D CB -0.208 40.552 40.800 -0.066 0.000 0.978 330 D HN 0.324 nan 8.370 nan 0.000 0.456 331 I N 0.936 121.475 120.570 -0.051 0.000 2.286 331 I HA -0.230 3.940 4.170 -0.000 0.000 0.248 331 I C 2.168 178.221 176.117 -0.107 0.000 1.115 331 I CA 0.894 62.146 61.300 -0.079 0.000 1.392 331 I CB 0.041 37.999 38.000 -0.070 0.000 1.065 331 I HN -0.096 nan 8.210 nan 0.000 0.418 332 I N 0.668 121.210 120.570 -0.046 0.000 2.361 332 I HA -0.204 3.966 4.170 -0.000 0.000 0.251 332 I C 2.419 178.532 176.117 -0.007 0.000 1.133 332 I CA 1.457 62.753 61.300 -0.007 0.000 1.413 332 I CB -0.701 37.344 38.000 0.075 0.000 1.073 332 I HN 0.338 nan 8.210 nan 0.000 0.424 333 G N 0.619 109.409 108.800 -0.017 0.000 2.441 333 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.212 333 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.212 333 G C 1.658 176.536 174.900 -0.037 0.000 1.164 333 G CA 0.094 45.190 45.100 -0.007 0.000 0.811 333 G HN 0.260 nan 8.290 nan 0.000 0.535 334 I N 0.223 120.750 120.570 -0.072 0.000 2.286 334 I HA -0.170 4.000 4.170 -0.000 0.000 0.248 334 I C 2.825 178.868 176.117 -0.124 0.000 1.115 334 I CA 0.552 61.800 61.300 -0.088 0.000 1.392 334 I CB -0.272 37.669 38.000 -0.099 0.000 1.065 334 I HN 0.319 nan 8.210 nan 0.000 0.418 335 c N 0.115 118.584 118.600 -0.218 0.000 2.675 335 c HA -0.067 4.503 4.570 -0.000 0.000 0.285 335 c C 1.065 175.003 174.090 -0.253 0.000 1.282 335 c CA 0.175 56.281 56.329 -0.372 0.000 1.708 335 c CB -0.543 41.517 42.510 -0.750 0.000 2.134 335 c HN 0.267 nan 8.230 nan 0.000 0.494 336 Y N -0.054 120.251 120.300 0.007 0.000 2.419 336 Y HA 0.470 5.020 4.550 -0.000 0.000 0.328 336 Y C 1.124 177.033 175.900 0.014 0.000 1.162 336 Y CA -0.670 57.442 58.100 0.020 0.000 1.174 336 Y CB 0.248 38.735 38.460 0.046 0.000 1.228 336 Y HN 0.295 nan 8.280 nan 0.000 0.473 337 G N 0.844 109.753 108.800 0.182 0.000 3.356 337 G HA2 0.346 4.306 3.960 -0.000 0.000 0.239 337 G HA3 0.346 4.306 3.960 -0.000 0.000 0.239 337 G C 0.183 175.137 174.900 0.090 0.000 1.252 337 G CA 0.068 45.225 45.100 0.095 0.000 1.611 337 G HN 0.752 nan 8.290 nan 0.000 0.580 338 A N 0.419 123.315 122.820 0.126 0.000 2.340 338 A HA 0.763 5.083 4.320 -0.000 0.000 0.268 338 A C 0.486 178.096 177.584 0.043 0.000 1.100 338 A CA -0.121 51.974 52.037 0.097 0.000 0.803 338 A CB 0.826 19.924 19.000 0.163 0.000 1.043 338 A HN 0.286 nan 8.150 nan 0.000 0.488 339 T N 0.286 114.849 114.554 0.015 0.000 2.924 339 T HA 0.642 4.992 4.350 -0.000 0.000 0.291 339 T C -0.770 173.908 174.700 -0.036 0.000 1.045 339 T CA -0.513 61.587 62.100 -0.000 0.000 1.015 339 T CB 1.639 70.517 68.868 0.016 0.000 1.103 339 T HN 0.601 nan 8.240 nan 0.000 0.496 340 V N 2.153 122.023 119.914 -0.074 0.000 2.686 340 V HA 0.723 4.843 4.120 -0.000 0.000 0.306 340 V C -0.793 175.216 176.094 -0.141 0.000 1.065 340 V CA -1.020 61.172 62.300 -0.179 0.000 0.894 340 V CB 1.818 33.444 31.823 -0.330 0.000 1.004 340 V HN 1.005 nan 8.190 nan 0.000 0.424 341 K N 2.353 122.617 120.400 -0.227 0.000 2.543 341 K HA 0.736 5.056 4.320 -0.000 0.000 0.255 341 K C 0.058 176.543 176.600 -0.192 0.000 0.934 341 K CA -0.171 55.998 56.287 -0.196 0.000 0.810 341 K CB 2.111 34.386 32.500 -0.374 0.000 1.315 341 K HN 1.393 nan 8.250 nan 0.000 0.433 342 G N 2.261 111.129 108.800 0.113 0.000 2.151 342 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.156 342 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.156 342 G C -0.068 174.764 174.900 -0.113 0.000 1.017 342 G CA 0.088 45.249 45.100 0.101 0.000 0.686 342 G HN 0.463 nan 8.290 nan 0.000 0.503 343 M N -0.343 119.273 119.600 0.026 0.000 2.313 343 M HA 0.368 4.848 4.480 -0.000 0.000 0.400 343 M C 0.351 176.811 176.300 0.268 0.000 0.989 343 M CA -0.052 55.300 55.300 0.087 0.000 0.977 343 M CB 0.569 33.300 32.600 0.217 0.000 1.808 343 M HN 0.406 nan 8.290 nan 0.000 0.613 344 Q N 0.479 120.417 119.800 0.229 0.000 2.301 344 Q HA 0.616 4.956 4.340 -0.000 0.000 0.267 344 Q C -0.433 175.646 176.000 0.133 0.000 1.035 344 Q CA -0.310 55.644 55.803 0.253 0.000 0.856 344 Q CB 2.119 30.970 28.738 0.188 0.000 1.337 344 Q HN 0.223 nan 8.270 nan 0.000 0.450 345 S N 1.406 117.121 115.700 0.024 0.000 2.652 345 S HA 0.126 4.596 4.470 -0.000 0.000 0.252 345 S C 0.295 174.777 174.600 -0.197 0.000 1.219 345 S CA -0.685 57.444 58.200 -0.119 0.000 1.151 345 S CB -0.025 63.059 63.200 -0.192 0.000 1.080 345 S HN 0.834 nan 8.310 nan 0.000 0.481 346 Y N 2.423 122.676 120.300 -0.079 0.000 2.321 346 Y HA -0.113 4.437 4.550 -0.000 0.000 0.281 346 Y C 1.643 177.493 175.900 -0.084 0.000 1.200 346 Y CA 1.497 59.551 58.100 -0.076 0.000 1.269 346 Y CB -1.194 37.216 38.460 -0.084 0.000 0.972 346 Y HN 0.615 nan 8.280 nan 0.000 0.550 347 G N 1.382 109.782 108.800 -0.667 0.000 2.464 347 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.214 347 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.214 347 G C 1.462 176.213 174.900 -0.249 0.000 1.218 347 G CA 1.029 45.847 45.100 -0.469 0.000 0.794 347 G HN 0.482 nan 8.290 nan 0.000 0.542 348 L N 0.916 121.970 121.223 -0.282 0.000 2.129 348 L HA -0.088 4.252 4.340 -0.000 0.000 0.212 348 L C 2.576 179.339 176.870 -0.178 0.000 1.087 348 L CA 2.190 56.873 54.840 -0.261 0.000 0.757 348 L CB -0.494 41.294 42.059 -0.451 0.000 0.896 348 L HN 0.414 nan 8.230 nan 0.000 0.434 349 E N -0.818 119.302 120.200 -0.133 0.000 2.072 349 E HA -0.205 4.145 4.350 -0.000 0.000 0.190 349 E C 2.338 178.918 176.600 -0.034 0.000 0.982 349 E CA 1.007 57.373 56.400 -0.057 0.000 0.803 349 E CB -0.161 29.537 29.700 -0.003 0.000 0.755 349 E HN 0.489 nan 8.360 nan 0.000 0.453 350 R N 0.498 120.985 120.500 -0.021 0.000 2.081 350 R HA -0.129 4.211 4.340 -0.000 0.000 0.235 350 R C 2.471 178.757 176.300 -0.022 0.000 1.131 350 R CA 0.742 56.840 56.100 -0.003 0.000 0.960 350 R CB -0.246 30.072 30.300 0.030 0.000 0.856 350 R HN 0.098 nan 8.270 nan 0.000 0.436 351 L N 0.407 121.602 121.223 -0.047 0.000 1.994 351 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 351 L C 2.242 179.088 176.870 -0.039 0.000 1.071 351 L CA 2.161 56.976 54.840 -0.042 0.000 0.745 351 L CB -0.618 41.404 42.059 -0.061 0.000 0.892 351 L HN 0.141 nan 8.230 nan 0.000 0.431 352 A N -0.455 122.330 122.820 -0.058 0.000 1.908 352 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 352 A C 2.446 180.000 177.584 -0.050 0.000 1.181 352 A CA 2.098 54.095 52.037 -0.067 0.000 0.627 352 A CB -1.304 17.647 19.000 -0.082 0.000 0.818 352 A HN 0.626 nan 8.150 nan 0.000 0.445 353 A N -0.500 122.299 122.820 -0.036 0.000 1.865 353 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 353 A C 2.306 179.876 177.584 -0.023 0.000 1.191 353 A CA 1.973 53.992 52.037 -0.030 0.000 0.623 353 A CB -0.595 18.388 19.000 -0.027 0.000 0.826 353 A HN 0.536 nan 8.150 nan 0.000 0.444 354 M N -1.058 118.533 119.600 -0.015 0.000 2.086 354 M HA -0.126 4.354 4.480 -0.000 0.000 0.261 354 M C 2.357 178.655 176.300 -0.002 0.000 1.067 354 M CA 1.720 57.017 55.300 -0.004 0.000 1.116 354 M CB -0.539 32.063 32.600 0.004 0.000 1.348 354 M HN 0.539 nan 8.290 nan 0.000 0.407 355 L N 0.247 121.466 121.223 -0.005 0.000 2.013 355 L HA -0.286 4.054 4.340 -0.000 0.000 0.212 355 L C 2.582 179.451 176.870 -0.002 0.000 1.073 355 L CA 1.401 56.242 54.840 0.003 0.000 0.753 355 L CB -0.182 41.879 42.059 0.002 0.000 0.890 355 L HN 0.307 nan 8.230 nan 0.000 0.432 356 M N -0.424 119.164 119.600 -0.021 0.000 2.117 356 M HA -0.165 4.315 4.480 -0.000 0.000 0.262 356 M C 2.454 178.751 176.300 -0.004 0.000 1.065 356 M CA 1.833 57.121 55.300 -0.021 0.000 1.114 356 M CB -1.628 30.952 32.600 -0.033 0.000 1.361 356 M HN 0.437 nan 8.290 nan 0.000 0.408 357 A N -0.162 122.655 122.820 -0.004 0.000 2.186 357 A HA -0.089 4.231 4.320 -0.000 0.000 0.219 357 A C 1.505 179.094 177.584 0.009 0.000 1.159 357 A CA 1.803 53.842 52.037 0.003 0.000 0.680 357 A CB -1.111 17.890 19.000 0.002 0.000 0.787 357 A HN 0.596 nan 8.150 nan 0.000 0.467 358 T N -2.669 111.892 114.554 0.011 0.000 3.255 358 T HA 0.539 4.889 4.350 -0.000 0.000 0.243 358 T C -0.529 174.184 174.700 0.021 0.000 1.057 358 T CA -0.221 61.888 62.100 0.016 0.000 1.121 358 T CB -0.134 68.745 68.868 0.017 0.000 1.104 358 T HN 0.504 nan 8.240 nan 0.000 0.571 359 V N 0.411 120.338 119.914 0.022 0.000 2.969 359 V HA 0.563 4.683 4.120 -0.000 0.000 0.304 359 V C -1.234 174.878 176.094 0.029 0.000 1.192 359 V CA -1.091 61.225 62.300 0.027 0.000 0.962 359 V CB 2.361 34.201 31.823 0.029 0.000 1.045 359 V HN 0.382 nan 8.190 nan 0.000 0.428 360 K N 5.617 126.037 120.400 0.034 0.000 2.021 360 K HA 0.194 4.514 4.320 -0.000 0.000 0.238 360 K C 1.175 177.799 176.600 0.041 0.000 1.149 360 K CA 0.202 56.513 56.287 0.039 0.000 1.105 360 K CB -0.044 32.483 32.500 0.046 0.000 1.246 360 K HN 0.593 nan 8.250 nan 0.000 0.307 361 M N 0.492 120.113 119.600 0.035 0.000 2.080 361 M HA -0.169 4.311 4.480 -0.000 0.000 0.260 361 M C 1.432 177.753 176.300 0.035 0.000 1.068 361 M CA 1.622 56.941 55.300 0.032 0.000 1.109 361 M CB -0.527 32.092 32.600 0.031 0.000 1.342 361 M HN 0.608 nan 8.290 nan 0.000 0.405 362 E N 0.110 120.336 120.200 0.043 0.000 2.510 362 E HA -0.166 4.184 4.350 -0.000 0.000 0.202 362 E C 0.928 177.562 176.600 0.056 0.000 1.072 362 E CA 0.526 56.954 56.400 0.047 0.000 0.883 362 E CB 0.169 29.901 29.700 0.053 0.000 0.818 362 E HN 0.474 nan 8.360 nan 0.000 0.548 363 E N -0.269 119.970 120.200 0.065 0.000 2.810 363 E HA 0.071 4.421 4.350 -0.000 0.000 0.214 363 E C 1.294 177.934 176.600 0.067 0.000 0.980 363 E CA -0.180 56.292 56.400 0.120 0.000 1.159 363 E CB 0.363 30.159 29.700 0.160 0.000 1.047 363 E HN 0.244 nan 8.360 nan 0.000 0.484 364 L N -0.094 121.140 121.223 0.017 0.000 2.083 364 L HA -0.021 4.319 4.340 -0.000 0.000 0.209 364 L C 2.099 178.954 176.870 -0.025 0.000 1.083 364 L CA 1.694 56.540 54.840 0.010 0.000 0.752 364 L CB -0.168 41.894 42.059 0.006 0.000 0.899 364 L HN 0.315 nan 8.230 nan 0.000 0.433 365 G N -1.675 107.061 108.800 -0.108 0.000 2.462 365 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.220 365 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.220 365 G C 1.170 175.970 174.900 -0.166 0.000 1.121 365 G CA 0.462 45.462 45.100 -0.167 0.000 0.758 365 G HN 0.491 nan 8.290 nan 0.000 0.559 366 H N -0.857 118.223 119.070 0.017 0.000 2.547 366 H HA 0.201 4.757 4.556 -0.000 0.000 0.266 366 H C 0.905 176.241 175.328 0.013 0.000 0.988 366 H CA -0.265 55.790 56.048 0.012 0.000 1.147 366 H CB 0.138 29.906 29.762 0.010 0.000 1.365 366 H HN 0.230 nan 8.280 nan 0.000 0.589 367 L N 1.121 122.400 121.223 0.094 0.000 2.488 367 L HA 0.162 4.502 4.340 -0.000 0.000 0.249 367 L C 1.181 178.081 176.870 0.050 0.000 1.151 367 L CA -0.328 54.553 54.840 0.068 0.000 0.806 367 L CB 0.847 42.939 42.059 0.054 0.000 1.261 367 L HN 0.150 nan 8.230 nan 0.000 0.484 368 T N -2.402 112.177 114.554 0.041 0.000 2.788 368 T HA 0.174 4.524 4.350 -0.000 0.000 0.287 368 T C 1.050 175.768 174.700 0.029 0.000 1.007 368 T CA 0.246 62.366 62.100 0.033 0.000 1.005 368 T CB 0.455 69.339 68.868 0.026 0.000 1.012 368 T HN 0.653 nan 8.240 nan 0.000 0.530 369 T N 0.255 114.824 114.554 0.026 0.000 2.639 369 T HA -0.085 4.265 4.350 -0.000 0.000 0.261 369 T C 1.779 176.494 174.700 0.025 0.000 1.053 369 T CA 1.390 63.503 62.100 0.023 0.000 1.158 369 T CB -0.543 68.338 68.868 0.023 0.000 0.863 369 T HN 0.831 nan 8.240 nan 0.000 0.413 370 E N 0.810 121.025 120.200 0.025 0.000 2.097 370 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 370 E C 2.068 178.696 176.600 0.048 0.000 1.000 370 E CA 1.137 57.554 56.400 0.028 0.000 0.804 370 E CB 0.028 29.736 29.700 0.013 0.000 0.740 370 E HN 0.197 nan 8.360 nan 0.000 0.454 371 K N 0.347 120.774 120.400 0.045 0.000 2.148 371 K HA -0.136 4.184 4.320 -0.000 0.000 0.204 371 K C 2.152 178.812 176.600 0.101 0.000 1.050 371 K CA 0.844 57.179 56.287 0.082 0.000 0.942 371 K CB -0.280 32.254 32.500 0.057 0.000 0.724 371 K HN 0.278 nan 8.250 nan 0.000 0.446 372 Q N 0.998 120.830 119.800 0.053 0.000 2.050 372 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 372 Q C 1.792 177.792 176.000 0.001 0.000 0.980 372 Q CA 1.494 57.312 55.803 0.024 0.000 0.840 372 Q CB 0.181 28.924 28.738 0.009 0.000 0.898 372 Q HN 0.343 nan 8.270 nan 0.000 0.424 373 E N -0.461 119.742 120.200 0.005 0.000 2.007 373 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 373 E C 1.813 178.382 176.600 -0.050 0.000 0.999 373 E CA 1.345 57.718 56.400 -0.043 0.000 0.811 373 E CB -0.452 29.238 29.700 -0.017 0.000 0.762 373 E HN 0.379 nan 8.360 nan 0.000 0.450 374 Y N 1.583 121.829 120.300 -0.091 0.000 2.132 374 Y HA -0.372 4.178 4.550 -0.000 0.000 0.280 374 Y C 2.084 177.933 175.900 -0.086 0.000 1.193 374 Y CA 1.700 59.752 58.100 -0.081 0.000 1.157 374 Y CB -0.565 37.872 38.460 -0.038 0.000 0.966 374 Y HN 0.061 nan 8.280 nan 0.000 0.511 375 A N -0.047 122.727 122.820 -0.077 0.000 1.824 375 A HA -0.184 4.136 4.320 -0.000 0.000 0.215 375 A C 2.125 179.590 177.584 -0.200 0.000 1.209 375 A CA 1.974 53.925 52.037 -0.144 0.000 0.614 375 A CB -1.338 17.648 19.000 -0.023 0.000 0.852 375 A HN 0.424 nan 8.150 nan 0.000 0.447 376 L N -0.298 120.831 121.223 -0.157 0.000 2.081 376 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 376 L C 2.595 179.288 176.870 -0.297 0.000 1.080 376 L CA 1.946 56.678 54.840 -0.179 0.000 0.754 376 L CB -0.798 41.165 42.059 -0.159 0.000 0.893 376 L HN 0.405 nan 8.230 nan 0.000 0.433 377 R N -0.209 120.048 120.500 -0.404 0.000 2.103 377 R HA -0.231 4.109 4.340 -0.000 0.000 0.234 377 R C 2.272 178.327 176.300 -0.408 0.000 1.132 377 R CA 2.351 58.082 56.100 -0.616 0.000 0.925 377 R CB -0.628 29.381 30.300 -0.486 0.000 0.842 377 R HN 0.425 nan 8.270 nan 0.000 0.430 378 L N -1.363 119.642 121.223 -0.362 0.000 2.275 378 L HA 0.124 4.464 4.340 -0.000 0.000 0.215 378 L C 2.132 178.906 176.870 -0.159 0.000 1.119 378 L CA 1.805 56.486 54.840 -0.265 0.000 0.790 378 L CB -0.490 41.322 42.059 -0.412 0.000 0.919 378 L HN 0.057 nan 8.230 nan 0.000 0.443 379 A N 0.015 122.740 122.820 -0.160 0.000 1.972 379 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 379 A C 2.280 179.875 177.584 0.019 0.000 1.169 379 A CA 2.169 54.169 52.037 -0.063 0.000 0.635 379 A CB -1.151 17.812 19.000 -0.061 0.000 0.810 379 A HN 0.560 nan 8.150 nan 0.000 0.446 380 T N -0.536 114.015 114.554 -0.006 0.000 2.896 380 T HA -0.054 4.296 4.350 -0.000 0.000 0.263 380 T C 1.865 176.625 174.700 0.101 0.000 1.050 380 T CA 1.375 63.515 62.100 0.067 0.000 1.140 380 T CB -0.296 68.664 68.868 0.154 0.000 0.877 380 T HN 0.181 nan 8.240 nan 0.000 0.457 381 V N 1.325 121.288 119.914 0.082 0.000 2.407 381 V HA -0.034 4.086 4.120 -0.000 0.000 0.248 381 V C 2.684 178.809 176.094 0.052 0.000 1.055 381 V CA 1.959 64.303 62.300 0.073 0.000 1.049 381 V CB -1.028 30.819 31.823 0.041 0.000 0.662 381 V HN 0.590 nan 8.190 nan 0.000 0.455 382 G N -2.344 106.478 108.800 0.037 0.000 2.986 382 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.213 382 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.213 382 G C 1.263 176.202 174.900 0.065 0.000 1.156 382 G CA 0.180 45.296 45.100 0.027 0.000 0.763 382 G HN 0.484 nan 8.290 nan 0.000 0.547 383 Y N 2.661 122.950 120.300 -0.020 0.000 2.096 383 Y HA -0.192 4.358 4.550 -0.000 0.000 0.278 383 Y C 0.104 175.998 175.900 -0.009 0.000 1.192 383 Y CA 2.298 60.389 58.100 -0.016 0.000 1.143 383 Y CB -0.882 37.569 38.460 -0.015 0.000 0.963 383 Y HN 0.245 nan 8.280 nan 0.000 0.505 384 P HA -0.199 nan 4.420 nan 0.000 0.205 384 P C 1.432 178.736 177.300 0.006 0.000 1.193 384 P CA 1.943 65.115 63.100 0.120 0.000 0.929 384 P CB -0.088 31.691 31.700 0.132 0.000 0.772 385 K N -0.603 119.810 120.400 0.021 0.000 2.228 385 K HA -0.063 4.257 4.320 -0.000 0.000 0.205 385 K C 0.795 177.381 176.600 -0.023 0.000 1.045 385 K CA 1.248 57.540 56.287 0.008 0.000 0.931 385 K CB -0.501 32.021 32.500 0.037 0.000 0.727 385 K HN 0.227 nan 8.250 nan 0.000 0.458 386 A N -2.423 120.362 122.820 -0.058 0.000 2.601 386 A HA 0.551 4.871 4.320 -0.000 0.000 0.291 386 A C -0.207 177.292 177.584 -0.142 0.000 1.075 386 A CA 0.019 52.011 52.037 -0.076 0.000 0.671 386 A CB 1.343 20.321 19.000 -0.038 0.000 1.277 386 A HN 0.168 nan 8.150 nan 0.000 0.417 387 G N -0.723 108.002 108.800 -0.125 0.000 2.327 387 G HA2 0.066 4.026 3.960 -0.000 0.000 0.159 387 G HA3 0.066 4.026 3.960 -0.000 0.000 0.159 387 G C 0.359 175.130 174.900 -0.215 0.000 1.056 387 G CA 0.248 45.253 45.100 -0.158 0.000 0.751 387 G HN 1.541 nan 8.290 nan 0.000 0.488 388 V N -1.198 118.635 119.914 -0.134 0.000 3.041 388 V HA 0.114 4.234 4.120 -0.000 0.000 0.260 388 V C 1.412 177.401 176.094 -0.175 0.000 1.105 388 V CA 1.652 63.860 62.300 -0.155 0.000 1.125 388 V CB -0.330 31.452 31.823 -0.069 0.000 0.730 388 V HN 0.520 nan 8.190 nan 0.000 0.479 389 Y N -0.663 119.589 120.300 -0.079 0.000 2.779 389 Y HA 0.427 4.977 4.550 -0.000 0.000 0.251 389 Y C 0.958 176.832 175.900 -0.045 0.000 1.145 389 Y CA -0.478 57.591 58.100 -0.051 0.000 1.201 389 Y CB 0.918 39.356 38.460 -0.036 0.000 1.281 389 Y HN 0.104 nan 8.280 nan 0.000 0.563 390 S N -0.318 115.412 115.700 0.050 0.000 2.554 390 S HA 0.459 4.929 4.470 -0.000 0.000 0.278 390 S C 1.106 175.716 174.600 0.017 0.000 1.242 390 S CA -0.125 58.092 58.200 0.029 0.000 1.051 390 S CB 0.847 64.040 63.200 -0.013 0.000 0.986 390 S HN 0.535 nan 8.310 nan 0.000 0.502 391 G N 4.622 113.442 108.800 0.034 0.000 3.325 391 G HA2 0.168 4.128 3.960 -0.000 0.000 0.242 391 G HA3 0.168 4.128 3.960 -0.000 0.000 0.242 391 G C 0.847 175.765 174.900 0.030 0.000 1.120 391 G CA -0.165 44.955 45.100 0.034 0.000 1.778 391 G HN 0.756 nan 8.290 nan 0.000 0.610 392 L N -0.181 121.058 121.223 0.027 0.000 1.988 392 L HA -0.084 4.256 4.340 -0.000 0.000 0.207 392 L C 2.635 179.539 176.870 0.057 0.000 1.071 392 L CA 0.912 55.780 54.840 0.046 0.000 0.744 392 L CB -0.234 41.872 42.059 0.079 0.000 0.893 392 L HN 0.306 nan 8.230 nan 0.000 0.433 393 I N 0.158 120.766 120.570 0.064 0.000 2.315 393 I HA -0.218 3.952 4.170 -0.000 0.000 0.251 393 I C 2.531 178.686 176.117 0.063 0.000 1.125 393 I CA 1.521 62.850 61.300 0.049 0.000 1.392 393 I CB -1.248 36.771 38.000 0.032 0.000 1.065 393 I HN 0.216 nan 8.210 nan 0.000 0.424 394 G N 0.496 109.330 108.800 0.057 0.000 2.433 394 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.216 394 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.216 394 G C 1.855 176.793 174.900 0.064 0.000 1.186 394 G CA 0.818 45.956 45.100 0.062 0.000 0.779 394 G HN 0.503 nan 8.290 nan 0.000 0.543 395 G N 1.138 109.967 108.800 0.049 0.000 2.440 395 G HA2 0.009 3.969 3.960 -0.000 0.000 0.218 395 G HA3 0.009 3.969 3.960 -0.000 0.000 0.218 395 G C 2.061 176.993 174.900 0.053 0.000 1.154 395 G CA 1.577 46.700 45.100 0.037 0.000 0.767 395 G HN 0.692 nan 8.290 nan 0.000 0.552 396 A N 0.111 122.977 122.820 0.077 0.000 1.978 396 A HA -0.009 4.311 4.320 -0.000 0.000 0.220 396 A C 2.514 180.251 177.584 0.255 0.000 1.170 396 A CA 2.447 54.567 52.037 0.138 0.000 0.636 396 A CB -0.698 18.360 19.000 0.097 0.000 0.810 396 A HN 0.330 nan 8.150 nan 0.000 0.448 397 T N -0.589 114.094 114.554 0.215 0.000 2.770 397 T HA -0.064 4.286 4.350 -0.000 0.000 0.258 397 T C 2.283 177.019 174.700 0.060 0.000 1.039 397 T CA 1.413 63.627 62.100 0.189 0.000 1.143 397 T CB -0.336 68.634 68.868 0.169 0.000 0.866 397 T HN 0.453 nan 8.240 nan 0.000 0.428 398 S N 0.938 116.662 115.700 0.039 0.000 2.365 398 S HA -0.131 4.339 4.470 -0.000 0.000 0.225 398 S C 2.246 176.816 174.600 -0.051 0.000 1.039 398 S CA 1.221 59.408 58.200 -0.021 0.000 1.033 398 S CB -0.742 62.439 63.200 -0.032 0.000 0.887 398 S HN 0.320 nan 8.310 nan 0.000 0.447 399 V N 1.815 121.717 119.914 -0.021 0.000 2.343 399 V HA -0.124 3.996 4.120 -0.000 0.000 0.247 399 V C 2.069 178.148 176.094 -0.025 0.000 1.051 399 V CA 1.870 64.155 62.300 -0.026 0.000 1.036 399 V CB -0.414 31.406 31.823 -0.005 0.000 0.654 399 V HN 0.470 nan 8.190 nan 0.000 0.451 400 L N -0.201 121.003 121.223 -0.031 0.000 2.027 400 L HA -0.051 4.289 4.340 -0.000 0.000 0.206 400 L C 2.220 179.064 176.870 -0.043 0.000 1.074 400 L CA 2.415 57.198 54.840 -0.094 0.000 0.745 400 L CB -1.014 40.844 42.059 -0.335 0.000 0.898 400 L HN 0.384 nan 8.230 nan 0.000 0.433 401 L N -0.524 120.684 121.223 -0.026 0.000 2.021 401 L HA -0.251 4.089 4.340 -0.000 0.000 0.215 401 L C 2.542 179.434 176.870 0.036 0.000 1.074 401 L CA 2.276 57.139 54.840 0.037 0.000 0.760 401 L CB -1.050 41.020 42.059 0.019 0.000 0.889 401 L HN 0.387 nan 8.230 nan 0.000 0.433 402 S N -0.355 115.332 115.700 -0.021 0.000 2.359 402 S HA -0.230 4.240 4.470 -0.000 0.000 0.224 402 S C 2.097 176.715 174.600 0.031 0.000 1.035 402 S CA 1.272 59.457 58.200 -0.026 0.000 1.018 402 S CB -0.788 62.372 63.200 -0.067 0.000 0.876 402 S HN 0.701 nan 8.310 nan 0.000 0.448 403 A N 1.015 123.865 122.820 0.050 0.000 1.892 403 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 403 A C 2.015 179.708 177.584 0.182 0.000 1.188 403 A CA 2.030 54.125 52.037 0.097 0.000 0.631 403 A CB -1.125 17.910 19.000 0.057 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 0.008 0.000 2.114 404 Y HA -0.217 4.333 4.550 -0.000 0.000 0.284 404 Y C 2.126 178.042 175.900 0.025 0.000 1.143 404 Y CA 1.717 59.829 58.100 0.020 0.000 1.135 404 Y CB -1.095 37.365 38.460 -0.001 0.000 0.980 404 Y HN 0.498 nan 8.280 nan 0.000 0.499 405 N N -0.267 118.366 118.700 -0.111 0.000 2.137 405 N HA -0.218 4.522 4.740 -0.000 0.000 0.190 405 N C 1.961 177.378 175.510 -0.155 0.000 1.017 405 N CA 0.817 53.727 53.050 -0.234 0.000 0.859 405 N CB -0.255 38.150 38.487 -0.137 0.000 1.002 405 N HN 0.271 nan 8.380 nan 0.000 0.428 406 R N 0.313 120.775 120.500 -0.063 0.000 2.276 406 R HA 0.038 4.378 4.340 -0.000 0.000 0.203 406 R C -0.180 175.941 176.300 -0.298 0.000 1.017 406 R CA 0.680 56.700 56.100 -0.133 0.000 1.010 406 R CB 0.174 30.431 30.300 -0.072 0.000 0.900 406 R HN 0.340 nan 8.270 nan 0.000 0.469 407 H N -1.617 117.448 119.070 -0.009 0.000 2.941 407 H HA 0.294 4.850 4.556 -0.000 0.000 0.344 407 H C -2.366 172.994 175.328 0.054 0.000 1.235 407 H CA -1.735 54.332 56.048 0.032 0.000 1.149 407 H CB 2.263 32.056 29.762 0.053 0.000 1.885 407 H HN -0.108 nan 8.280 nan 0.000 0.558 408 P HA 0.208 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 -0.274 62.940 63.100 0.190 0.000 1.037 408 P CB -0.374 31.416 31.700 0.149 0.000 1.881 409 L N 0.484 121.911 121.223 0.341 0.000 3.677 409 L HA -0.229 4.111 4.340 -0.000 0.000 0.464 409 L C -0.268 176.771 176.870 0.282 0.000 1.278 409 L CA 0.754 55.760 54.840 0.276 0.000 0.806 409 L CB -2.626 39.565 42.059 0.221 0.000 1.610 409 L HN 0.334 nan 8.230 nan 0.000 0.867 410 F N -0.312 119.669 119.950 0.051 0.000 2.637 410 F HA 0.350 4.877 4.527 -0.000 0.000 0.316 410 F C -1.098 174.644 175.800 -0.095 0.000 1.023 410 F CA -0.664 57.320 58.000 -0.028 0.000 1.071 410 F CB 0.837 39.825 39.000 -0.021 0.000 1.319 410 F HN 0.019 nan 8.300 nan 0.000 0.541 411 Q N 6.206 125.501 119.800 -0.841 0.000 2.230 411 Q HA 0.457 4.797 4.340 -0.000 0.000 0.253 411 Q C -2.548 172.746 176.000 -1.177 0.000 0.919 411 Q CA -2.079 53.225 55.803 -0.830 0.000 0.908 411 Q CB 1.561 30.058 28.738 -0.403 0.000 1.245 411 Q HN 0.365 nan 8.270 nan 0.000 0.437 412 P HA -0.060 nan 4.420 nan 0.000 0.261 412 P C 0.840 177.894 177.300 -0.411 0.000 1.173 412 P CA 0.326 63.115 63.100 -0.517 0.000 0.760 412 P CB 0.492 32.036 31.700 -0.260 0.000 0.783 413 L N 2.682 123.731 121.223 -0.289 0.000 2.137 413 L HA -0.206 4.134 4.340 -0.000 0.000 0.213 413 L C 0.904 177.463 176.870 -0.519 0.000 1.085 413 L CA 1.567 56.217 54.840 -0.316 0.000 0.760 413 L CB -0.291 41.653 42.059 -0.191 0.000 0.893 413 L HN 0.571 nan 8.230 nan 0.000 0.434 414 H N -1.603 117.442 119.070 -0.043 0.000 2.616 414 H HA 0.194 4.750 4.556 -0.000 0.000 0.229 414 H C -0.309 175.002 175.328 -0.027 0.000 1.418 414 H CA -0.143 55.892 56.048 -0.022 0.000 1.248 414 H CB 0.637 30.398 29.762 -0.001 0.000 1.822 414 H HN -0.034 nan 8.280 nan 0.000 0.522 415 T N -0.523 114.040 114.554 0.015 0.000 2.918 415 T HA 0.148 4.498 4.350 -0.000 0.000 0.283 415 T C 1.522 176.233 174.700 0.018 0.000 1.001 415 T CA -0.250 61.851 62.100 0.001 0.000 1.041 415 T CB 1.754 70.584 68.868 -0.065 0.000 1.028 415 T HN 0.174 nan 8.240 nan 0.000 0.511 416 V N 4.935 124.863 119.914 0.023 0.000 2.490 416 V HA -0.062 4.058 4.120 -0.000 0.000 0.250 416 V C 2.192 178.295 176.094 0.014 0.000 1.061 416 V CA 2.500 64.816 62.300 0.027 0.000 1.064 416 V CB -0.691 31.149 31.823 0.028 0.000 0.670 416 V HN 0.992 nan 8.190 nan 0.000 0.461 417 M N -0.527 119.074 119.600 0.002 0.000 2.349 417 M HA -0.083 4.397 4.480 -0.000 0.000 0.266 417 M C 2.194 178.479 176.300 -0.024 0.000 1.076 417 M CA 1.814 57.109 55.300 -0.009 0.000 1.126 417 M CB -0.184 32.413 32.600 -0.004 0.000 1.392 417 M HN 0.333 nan 8.290 nan 0.000 0.440 418 R N 0.600 121.085 120.500 -0.024 0.000 2.083 418 R HA -0.250 4.090 4.340 -0.000 0.000 0.237 418 R C 1.928 178.205 176.300 -0.037 0.000 1.137 418 R CA 2.274 58.371 56.100 -0.005 0.000 0.951 418 R CB -0.376 29.923 30.300 -0.003 0.000 0.851 418 R HN 0.427 nan 8.270 nan 0.000 0.434 419 E N -0.576 119.624 120.200 0.001 0.000 2.160 419 E HA -0.152 4.197 4.350 -0.000 0.000 0.195 419 E C 1.485 178.091 176.600 0.011 0.000 0.991 419 E CA 2.221 58.648 56.400 0.045 0.000 0.810 419 E CB -0.269 29.476 29.700 0.074 0.000 0.742 419 E HN 0.422 nan 8.360 nan 0.000 0.466 420 T N 0.568 115.096 114.554 -0.043 0.000 2.643 420 T HA -0.134 4.216 4.350 -0.000 0.000 0.264 420 T C 1.677 176.288 174.700 -0.149 0.000 1.045 420 T CA 1.470 63.522 62.100 -0.079 0.000 1.155 420 T CB -0.398 68.440 68.868 -0.050 0.000 0.863 420 T HN 0.088 nan 8.240 nan 0.000 0.420 421 L N 0.600 121.718 121.223 -0.175 0.000 2.129 421 L HA -0.051 4.289 4.340 -0.000 0.000 0.212 421 L C 2.071 178.607 176.870 -0.558 0.000 1.087 421 L CA 1.379 56.093 54.840 -0.211 0.000 0.757 421 L CB -0.975 41.054 42.059 -0.050 0.000 0.896 421 L HN 0.229 nan 8.230 nan 0.000 0.434 422 F N 0.212 119.497 119.950 -1.109 0.000 2.113 422 F HA -0.168 4.359 4.527 -0.000 0.000 0.297 422 F C 2.275 177.856 175.800 -0.365 0.000 1.103 422 F CA 1.341 58.636 58.000 -1.174 0.000 1.248 422 F CB -0.340 38.201 39.000 -0.765 0.000 0.999 422 F HN -0.023 nan 8.300 nan 0.000 0.475 423 I N 0.367 120.695 120.570 -0.404 0.000 2.226 423 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 423 I C 2.731 178.703 176.117 -0.242 0.000 1.100 423 I CA 1.455 62.559 61.300 -0.328 0.000 1.374 423 I CB -1.409 36.319 38.000 -0.453 0.000 1.057 423 I HN 0.326 nan 8.210 nan 0.000 0.413 424 G N 0.620 109.296 108.800 -0.206 0.000 2.408 424 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 424 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 424 G C 1.812 176.641 174.900 -0.118 0.000 1.150 424 G CA 0.952 45.992 45.100 -0.101 0.000 0.776 424 G HN 0.498 nan 8.290 nan 0.000 0.542 425 S N 0.451 116.066 115.700 -0.140 0.000 2.387 425 S HA -0.273 4.197 4.470 -0.000 0.000 0.230 425 S C 2.088 176.538 174.600 -0.249 0.000 1.035 425 S CA 1.766 59.871 58.200 -0.158 0.000 1.014 425 S CB -0.822 62.410 63.200 0.053 0.000 0.836 425 S HN 0.521 nan 8.310 nan 0.000 0.466 426 H N 0.428 119.397 119.070 -0.169 0.000 2.290 426 H HA -0.012 4.544 4.556 -0.000 0.000 0.298 426 H C 2.504 177.699 175.328 -0.221 0.000 1.087 426 H CA 1.670 57.614 56.048 -0.173 0.000 1.291 426 H CB -0.977 28.704 29.762 -0.135 0.000 1.369 426 H HN 0.405 nan 8.280 nan 0.000 0.492 427 V N 1.159 121.019 119.914 -0.089 0.000 2.913 427 V HA -0.133 3.987 4.120 -0.000 0.000 0.260 427 V C 2.228 178.177 176.094 -0.240 0.000 1.098 427 V CA 0.851 63.029 62.300 -0.205 0.000 1.121 427 V CB -0.425 31.352 31.823 -0.077 0.000 0.714 427 V HN 0.130 nan 8.190 nan 0.000 0.487 428 V N -0.701 119.060 119.914 -0.254 0.000 2.426 428 V HA -0.081 4.039 4.120 -0.000 0.000 0.242 428 V C 2.247 178.195 176.094 -0.244 0.000 1.036 428 V CA 1.583 63.692 62.300 -0.318 0.000 1.044 428 V CB -0.375 31.048 31.823 -0.667 0.000 0.688 428 V HN 0.519 nan 8.190 nan 0.000 0.462 429 L N 0.359 121.454 121.223 -0.214 0.000 1.989 429 L HA -0.178 4.162 4.340 -0.000 0.000 0.211 429 L C 2.620 179.406 176.870 -0.140 0.000 1.071 429 L CA 2.081 56.835 54.840 -0.143 0.000 0.749 429 L CB -0.656 41.343 42.059 -0.100 0.000 0.890 429 L HN 0.150 nan 8.230 nan 0.000 0.431 430 R N -0.833 119.545 120.500 -0.203 0.000 2.113 430 R HA -0.275 4.065 4.340 -0.000 0.000 0.244 430 R C 2.270 178.470 176.300 -0.166 0.000 1.142 430 R CA 1.952 57.898 56.100 -0.256 0.000 0.953 430 R CB -0.266 29.701 30.300 -0.554 0.000 0.860 430 R HN 0.449 nan 8.270 nan 0.000 0.438 431 E N 0.531 120.638 120.200 -0.154 0.000 2.038 431 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 431 E C 1.949 178.572 176.600 0.039 0.000 1.000 431 E CA 1.422 57.827 56.400 0.009 0.000 0.803 431 E CB -0.335 29.366 29.700 0.002 0.000 0.750 431 E HN 0.280 nan 8.360 nan 0.000 0.448 432 L N 0.351 121.584 121.223 0.017 0.000 2.013 432 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 432 L C 2.599 179.542 176.870 0.122 0.000 1.073 432 L CA 1.608 56.521 54.840 0.122 0.000 0.753 432 L CB -0.478 41.595 42.059 0.023 0.000 0.890 432 L HN 0.091 nan 8.230 nan 0.000 0.432 433 R N -0.256 120.250 120.500 0.009 0.000 2.200 433 R HA -0.078 4.262 4.340 -0.000 0.000 0.234 433 R C 0.761 177.079 176.300 0.030 0.000 1.127 433 R CA 0.657 56.737 56.100 -0.034 0.000 0.989 433 R CB -0.923 29.344 30.300 -0.054 0.000 0.869 433 R HN 0.180 nan 8.270 nan 0.000 0.459 434 L N 1.698 122.999 121.223 0.130 0.000 2.456 434 L HA -0.026 4.314 4.340 -0.000 0.000 0.246 434 L C 1.514 178.548 176.870 0.274 0.000 1.238 434 L CA 0.688 55.629 54.840 0.168 0.000 0.826 434 L CB 0.171 42.320 42.059 0.151 0.000 1.150 434 L HN 0.237 nan 8.230 nan 0.000 0.514 435 N N -1.242 117.587 118.700 0.215 0.000 2.177 435 N HA 0.039 4.779 4.740 -0.000 0.000 0.218 435 N C -0.786 174.879 175.510 0.258 0.000 1.182 435 N CA -0.007 53.190 53.050 0.246 0.000 0.882 435 N CB 0.457 39.021 38.487 0.128 0.000 1.052 435 N HN 0.215 nan 8.380 nan 0.000 0.519 436 V N 2.422 122.433 119.914 0.162 0.000 2.320 436 V HA 0.174 4.294 4.120 -0.000 0.000 0.265 436 V C 0.571 176.617 176.094 -0.081 0.000 1.048 436 V CA -0.636 61.686 62.300 0.036 0.000 0.865 436 V CB 0.177 31.986 31.823 -0.023 0.000 1.043 436 V HN 0.256 nan 8.190 nan 0.000 0.474 437 T N 1.465 115.982 114.554 -0.062 0.000 3.738 437 T HA 0.107 4.457 4.350 -0.000 0.000 0.231 437 T C 0.406 175.016 174.700 -0.148 0.000 0.967 437 T CA -0.201 61.794 62.100 -0.177 0.000 1.227 437 T CB -1.028 67.829 68.868 -0.017 0.000 1.136 437 T HN 0.616 nan 8.240 nan 0.000 0.807 438 T N 3.702 118.137 114.554 -0.198 0.000 2.779 438 T HA 0.370 4.720 4.350 -0.000 0.000 0.280 438 T C 0.374 174.999 174.700 -0.125 0.000 0.987 438 T CA -0.902 61.103 62.100 -0.157 0.000 0.966 438 T CB 1.307 70.046 68.868 -0.215 0.000 0.933 438 T HN 0.632 nan 8.240 nan 0.000 0.442 439 Q N 0.588 120.347 119.800 -0.069 0.000 2.494 439 Q HA -0.223 4.117 4.340 -0.000 0.000 0.266 439 Q C 1.585 177.566 176.000 -0.032 0.000 1.053 439 Q CA 0.608 56.393 55.803 -0.030 0.000 1.029 439 Q CB -1.987 26.738 28.738 -0.022 0.000 1.423 439 Q HN 1.021 nan 8.270 nan 0.000 0.516 440 G N 1.275 110.043 108.800 -0.054 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 -0.945 173.965 174.900 0.017 0.000 1.164 440 G CA 1.422 46.497 45.100 -0.040 0.000 0.768 440 G HN 0.367 nan 8.290 nan 0.000 0.560 441 P HA -0.090 nan 4.420 nan 0.000 0.216 441 P C 1.540 178.876 177.300 0.059 0.000 1.153 441 P CA 1.374 64.504 63.100 0.050 0.000 0.848 441 P CB -0.069 31.662 31.700 0.050 0.000 0.787 442 N N -0.868 117.865 118.700 0.055 0.000 2.309 442 N HA -0.119 4.621 4.740 -0.000 0.000 0.182 442 N C 1.544 177.109 175.510 0.091 0.000 1.018 442 N CA 0.667 53.760 53.050 0.072 0.000 0.876 442 N CB -0.696 37.827 38.487 0.061 0.000 0.972 442 N HN 0.035 nan 8.380 nan 0.000 0.434 443 L N -0.534 120.729 121.223 0.067 0.000 2.127 443 L HA 0.217 4.557 4.340 -0.000 0.000 0.203 443 L C 2.102 179.038 176.870 0.110 0.000 1.080 443 L CA 1.111 55.997 54.840 0.077 0.000 0.768 443 L CB -0.555 41.511 42.059 0.011 0.000 0.924 443 L HN 0.122 nan 8.230 nan 0.000 0.444 444 A N 0.223 123.094 122.820 0.084 0.000 1.948 444 A HA -0.274 4.046 4.320 -0.000 0.000 0.220 444 A C 2.194 179.825 177.584 0.079 0.000 1.177 444 A CA 2.110 54.198 52.037 0.086 0.000 0.636 444 A CB -1.020 18.024 19.000 0.074 0.000 0.815 444 A HN 0.546 nan 8.150 nan 0.000 0.449 445 L N -1.563 119.710 121.223 0.083 0.000 2.012 445 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 445 L C 2.257 179.177 176.870 0.084 0.000 1.073 445 L CA 2.559 57.436 54.840 0.063 0.000 0.748 445 L CB -1.105 41.011 42.059 0.095 0.000 0.891 445 L HN 0.499 nan 8.230 nan 0.000 0.431 446 Y N 0.225 120.537 120.300 0.020 0.000 2.102 446 Y HA -0.375 4.175 4.550 -0.000 0.000 0.280 446 Y C 2.641 178.538 175.900 -0.005 0.000 1.178 446 Y CA 2.394 60.504 58.100 0.017 0.000 1.146 446 Y CB -0.110 38.363 38.460 0.022 0.000 0.968 446 Y HN 0.430 nan 8.280 nan 0.000 0.504 447 Q N -0.631 119.318 119.800 0.248 0.000 2.050 447 Q HA -0.229 4.111 4.340 -0.000 0.000 0.202 447 Q C 2.215 178.228 176.000 0.022 0.000 0.980 447 Q CA 1.645 57.532 55.803 0.140 0.000 0.840 447 Q CB -0.482 28.320 28.738 0.107 0.000 0.898 447 Q HN 0.498 nan 8.270 nan 0.000 0.424 448 L N 1.131 122.345 121.223 -0.016 0.000 1.971 448 L HA -0.220 4.120 4.340 -0.000 0.000 0.215 448 L C 2.093 178.888 176.870 -0.125 0.000 1.072 448 L CA 1.719 56.503 54.840 -0.094 0.000 0.758 448 L CB -0.695 41.242 42.059 -0.202 0.000 0.889 448 L HN 0.189 nan 8.230 nan 0.000 0.433 449 L N -0.661 120.479 121.223 -0.138 0.000 1.971 449 L HA -0.283 4.057 4.340 -0.000 0.000 0.215 449 L C 2.675 179.333 176.870 -0.353 0.000 1.072 449 L CA 1.951 56.622 54.840 -0.281 0.000 0.758 449 L CB -1.258 40.653 42.059 -0.247 0.000 0.889 449 L HN 0.524 nan 8.230 nan 0.000 0.433 450 S N -1.264 114.292 115.700 -0.240 0.000 2.374 450 S HA -0.226 4.244 4.470 -0.000 0.000 0.227 450 S C 1.906 176.412 174.600 -0.156 0.000 1.037 450 S CA 1.910 60.007 58.200 -0.172 0.000 1.024 450 S CB -1.091 62.092 63.200 -0.029 0.000 0.861 450 S HN 0.408 nan 8.310 nan 0.000 0.456 451 T N 2.918 117.394 114.554 -0.130 0.000 2.652 451 T HA -0.034 4.316 4.350 -0.000 0.000 0.267 451 T C 2.256 176.889 174.700 -0.112 0.000 1.039 451 T CA 1.601 63.630 62.100 -0.119 0.000 1.153 451 T CB -0.931 67.878 68.868 -0.098 0.000 0.863 451 T HN 0.645 nan 8.240 nan 0.000 0.428 452 A N 1.040 123.780 122.820 -0.133 0.000 1.908 452 A HA -0.007 4.313 4.320 -0.000 0.000 0.218 452 A C 2.277 179.792 177.584 -0.114 0.000 1.181 452 A CA 1.282 53.259 52.037 -0.100 0.000 0.627 452 A CB -0.913 18.012 19.000 -0.125 0.000 0.818 452 A HN 0.485 nan 8.150 nan 0.000 0.445 453 L N -1.087 120.010 121.223 -0.211 0.000 2.265 453 L HA -0.148 4.192 4.340 -0.000 0.000 0.215 453 L C 1.834 178.665 176.870 -0.064 0.000 1.117 453 L CA 0.523 55.282 54.840 -0.135 0.000 0.782 453 L CB -0.334 41.614 42.059 -0.184 0.000 0.914 453 L HN 0.545 nan 8.230 nan 0.000 0.441 454 c N 1.116 119.665 118.600 -0.085 0.000 2.694 454 c HA 0.179 4.749 4.570 -0.000 0.000 0.455 454 c C 1.653 175.719 174.090 -0.041 0.000 1.293 454 c CA -0.901 55.387 56.329 -0.069 0.000 1.614 454 c CB -2.329 40.130 42.510 -0.086 0.000 2.015 454 c HN 0.459 nan 8.230 nan 0.000 0.608 455 S N 0.876 116.567 115.700 -0.015 0.000 2.608 455 S HA 0.477 4.947 4.470 -0.000 0.000 0.261 455 S C 1.423 175.991 174.600 -0.053 0.000 1.314 455 S CA 0.166 58.360 58.200 -0.010 0.000 0.992 455 S CB 1.132 64.353 63.200 0.036 0.000 0.935 455 S HN 0.803 nan 8.310 nan 0.000 0.564 456 A N 0.659 123.437 122.820 -0.071 0.000 1.978 456 A HA -0.046 4.274 4.320 -0.000 0.000 0.220 456 A C 2.035 179.522 177.584 -0.160 0.000 1.170 456 A CA 1.525 53.497 52.037 -0.110 0.000 0.636 456 A CB -0.981 17.951 19.000 -0.113 0.000 0.810 456 A HN 0.844 nan 8.150 nan 0.000 0.448 457 L N -0.271 120.843 121.223 -0.181 0.000 2.027 457 L HA -0.107 4.233 4.340 -0.000 0.000 0.206 457 L C 2.350 178.972 176.870 -0.413 0.000 1.074 457 L CA 2.579 57.214 54.840 -0.342 0.000 0.745 457 L CB -0.565 41.268 42.059 -0.376 0.000 0.898 457 L HN 0.561 nan 8.230 nan 0.000 0.433 458 E N 0.202 120.308 120.200 -0.156 0.000 2.001 458 E HA -0.282 4.068 4.350 -0.000 0.000 0.195 458 E C 2.247 178.779 176.600 -0.114 0.000 1.002 458 E CA 2.212 58.644 56.400 0.053 0.000 0.819 458 E CB -0.796 28.964 29.700 0.099 0.000 0.769 458 E HN 0.463 nan 8.360 nan 0.000 0.454 459 I N 0.013 120.485 120.570 -0.163 0.000 2.300 459 I HA -0.243 3.927 4.170 -0.000 0.000 0.252 459 I C 1.952 177.880 176.117 -0.314 0.000 1.119 459 I CA 1.895 63.024 61.300 -0.286 0.000 1.384 459 I CB -0.470 37.419 38.000 -0.186 0.000 1.062 459 I HN 0.340 nan 8.210 nan 0.000 0.426 460 G N -0.108 108.548 108.800 -0.239 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 1.469 176.240 174.900 -0.215 0.000 1.189 460 G CA 0.316 45.283 45.100 -0.223 0.000 0.789 460 G HN 0.316 nan 8.290 nan 0.000 0.533 461 E N 0.458 120.526 120.200 -0.220 0.000 2.110 461 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 461 E C 2.857 179.390 176.600 -0.112 0.000 0.988 461 E CA 0.493 56.808 56.400 -0.141 0.000 0.804 461 E CB -0.522 29.132 29.700 -0.077 0.000 0.745 461 E HN 0.263 nan 8.360 nan 0.000 0.458 462 V N 1.142 120.955 119.914 -0.169 0.000 2.332 462 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 462 V C 2.404 178.362 176.094 -0.228 0.000 1.055 462 V CA 1.333 63.500 62.300 -0.222 0.000 1.038 462 V CB -0.433 31.147 31.823 -0.405 0.000 0.651 462 V HN 0.159 nan 8.190 nan 0.000 0.450 463 L N -0.276 120.776 121.223 -0.286 0.000 1.994 463 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 463 L C 2.555 179.359 176.870 -0.111 0.000 1.071 463 L CA 2.108 56.825 54.840 -0.205 0.000 0.745 463 L CB -1.077 40.858 42.059 -0.207 0.000 0.892 463 L HN 0.308 nan 8.230 nan 0.000 0.431 464 R N -0.042 120.396 120.500 -0.104 0.000 2.112 464 R HA -0.191 4.149 4.340 -0.000 0.000 0.242 464 R C 2.201 178.482 176.300 -0.032 0.000 1.137 464 R CA 2.037 58.100 56.100 -0.062 0.000 0.944 464 R CB -1.308 28.955 30.300 -0.062 0.000 0.857 464 R HN 0.375 nan 8.270 nan 0.000 0.435 465 G N 0.280 109.063 108.800 -0.028 0.000 2.418 465 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 465 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 465 G C 1.530 176.440 174.900 0.017 0.000 1.158 465 G CA 0.993 46.099 45.100 0.011 0.000 0.771 465 G HN 0.319 nan 8.290 nan 0.000 0.545 466 L N 0.614 121.835 121.223 -0.003 0.000 2.012 466 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 466 L C 3.442 180.321 176.870 0.015 0.000 1.073 466 L CA 1.227 56.076 54.840 0.015 0.000 0.748 466 L CB -0.427 41.641 42.059 0.014 0.000 0.891 466 L HN 0.326 nan 8.230 nan 0.000 0.431 467 A N -0.143 122.677 122.820 -0.001 0.000 1.877 467 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 467 A C 2.128 179.717 177.584 0.008 0.000 1.186 467 A CA 1.379 53.417 52.037 0.001 0.000 0.620 467 A CB -0.716 18.277 19.000 -0.011 0.000 0.822 467 A HN 0.387 nan 8.150 nan 0.000 0.443 468 L N -0.848 120.381 121.223 0.010 0.000 2.552 468 L HA 0.105 4.445 4.340 -0.000 0.000 0.227 468 L C 1.655 178.541 176.870 0.027 0.000 1.146 468 L CA 0.500 55.350 54.840 0.017 0.000 0.858 468 L CB -0.406 41.664 42.059 0.018 0.000 0.969 468 L HN 0.633 nan 8.230 nan 0.000 0.451 469 G N 0.201 109.020 108.800 0.032 0.000 2.179 469 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.257 469 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.257 469 G C 0.924 175.856 174.900 0.054 0.000 1.010 469 G CA 0.740 45.864 45.100 0.039 0.000 0.736 469 G HN 0.426 nan 8.290 nan 0.000 0.513 470 T N -3.130 111.469 114.554 0.075 0.000 3.031 470 T HA 0.330 4.680 4.350 -0.000 0.000 0.254 470 T C 0.824 175.645 174.700 0.202 0.000 1.060 470 T CA 1.330 63.500 62.100 0.117 0.000 1.135 470 T CB 0.440 69.400 68.868 0.154 0.000 0.896 470 T HN 0.423 nan 8.240 nan 0.000 0.472 471 E N 1.704 122.002 120.200 0.163 0.000 2.166 471 E HA 0.469 4.819 4.350 -0.000 0.000 0.275 471 E C 1.079 177.735 176.600 0.094 0.000 0.941 471 E CA -0.230 56.257 56.400 0.145 0.000 0.784 471 E CB 1.828 31.546 29.700 0.030 0.000 1.115 471 E HN 0.234 nan 8.360 nan 0.000 0.399 472 S N 3.076 118.830 115.700 0.091 0.000 2.428 472 S HA 0.109 4.579 4.470 -0.000 0.000 0.230 472 S C 1.512 176.153 174.600 0.067 0.000 1.014 472 S CA 0.397 58.633 58.200 0.059 0.000 0.957 472 S CB -0.374 62.847 63.200 0.035 0.000 0.784 472 S HN 1.175 nan 8.310 nan 0.000 0.499 473 G N 0.831 109.681 108.800 0.083 0.000 2.132 473 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.228 473 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.228 473 G C 0.370 175.380 174.900 0.183 0.000 1.000 473 G CA 0.335 45.527 45.100 0.154 0.000 0.693 473 G HN 0.600 nan 8.290 nan 0.000 0.515 474 L N -0.663 120.608 121.223 0.080 0.000 2.056 474 L HA 0.551 4.891 4.340 -0.000 0.000 0.207 474 L C 0.969 177.945 176.870 0.177 0.000 1.078 474 L CA 2.203 57.049 54.840 0.010 0.000 0.749 474 L CB -0.171 41.758 42.059 -0.216 0.000 0.901 474 L HN 0.587 nan 8.230 nan 0.000 0.433 475 F N -1.020 118.933 119.950 0.004 0.000 2.599 475 F HA 0.599 5.126 4.527 -0.000 0.000 0.311 475 F C -0.650 175.113 175.800 -0.063 0.000 1.076 475 F CA -0.339 57.738 58.000 0.129 0.000 0.937 475 F CB 1.593 40.598 39.000 0.009 0.000 1.282 475 F HN -0.200 nan 8.300 nan 0.000 0.460 476 S N 4.716 119.429 115.700 -1.645 0.000 2.560 476 S HA 0.373 4.843 4.470 -0.000 0.000 0.283 476 S C -2.537 171.221 174.600 -1.403 0.000 1.141 476 S CA -1.021 56.328 58.200 -1.418 0.000 0.902 476 S CB 1.903 64.513 63.200 -0.983 0.000 1.104 476 S HN 0.491 nan 8.310 nan 0.000 0.454 477 P HA 0.016 nan 4.420 nan 0.000 0.226 477 P C 1.240 178.371 177.300 -0.281 0.000 1.146 477 P CA 0.759 63.625 63.100 -0.389 0.000 0.773 477 P CB -0.409 31.170 31.700 -0.201 0.000 0.772 478 c N -1.815 116.563 118.600 -0.371 0.000 2.457 478 c HA -0.071 4.499 4.570 -0.000 0.000 0.278 478 c C 2.476 176.488 174.090 -0.131 0.000 1.309 478 c CA 0.275 56.472 56.329 -0.220 0.000 1.735 478 c CB -2.123 40.311 42.510 -0.127 0.000 1.992 478 c HN 0.180 nan 8.230 nan 0.000 0.493 479 Y N 0.956 121.148 120.300 -0.179 0.000 2.446 479 Y HA -0.060 4.490 4.550 -0.000 0.000 0.287 479 Y C 1.792 177.644 175.900 -0.079 0.000 1.159 479 Y CA 1.032 59.042 58.100 -0.149 0.000 1.297 479 Y CB -0.707 37.671 38.460 -0.136 0.000 0.974 479 Y HN 0.298 nan 8.280 nan 0.000 0.557 480 L N -1.906 119.367 121.223 0.085 0.000 3.039 480 L HA 0.188 4.528 4.340 -0.000 0.000 0.269 480 L C 1.028 177.918 176.870 0.033 0.000 1.169 480 L CA -0.010 54.875 54.840 0.076 0.000 0.986 480 L CB -0.140 41.999 42.059 0.133 0.000 1.377 480 L HN -0.086 nan 8.230 nan 0.000 0.575 481 S N 0.163 115.841 115.700 -0.037 0.000 2.589 481 S HA 0.255 4.725 4.470 -0.000 0.000 0.265 481 S C 0.580 175.038 174.600 -0.238 0.000 1.342 481 S CA -0.247 57.887 58.200 -0.110 0.000 1.005 481 S CB 0.477 63.589 63.200 -0.146 0.000 0.909 481 S HN 0.221 nan 8.310 nan 0.000 0.555 482 L N 0.873 121.917 121.223 -0.298 0.000 2.978 482 L HA 0.338 4.678 4.340 -0.000 0.000 0.239 482 L C 1.050 177.362 176.870 -0.931 0.000 1.293 482 L CA -0.152 54.342 54.840 -0.576 0.000 1.085 482 L CB -0.248 41.752 42.059 -0.099 0.000 1.432 482 L HN 0.572 nan 8.230 nan 0.000 0.512 483 R N 0.984 121.018 120.500 -0.776 0.000 2.369 483 R HA 0.206 4.546 4.340 -0.000 0.000 0.310 483 R C -0.479 175.535 176.300 -0.476 0.000 1.141 483 R CA -0.425 55.386 56.100 -0.482 0.000 1.116 483 R CB 0.204 30.374 30.300 -0.216 0.000 1.135 483 R HN 0.103 nan 8.270 nan 0.000 0.529 484 F N 1.122 121.102 119.950 0.049 0.000 2.713 484 F HA 0.130 4.657 4.527 -0.000 0.000 0.294 484 F C 1.433 177.258 175.800 0.042 0.000 1.152 484 F CA -0.467 57.560 58.000 0.044 0.000 1.385 484 F CB 0.185 39.215 39.000 0.051 0.000 0.981 484 F HN 0.416 nan 8.300 nan 0.000 0.514 485 D N 0.896 121.367 120.400 0.117 0.000 2.240 485 D HA -0.037 4.603 4.640 -0.000 0.000 0.206 485 D C 0.711 177.056 176.300 0.075 0.000 0.963 485 D CA 0.475 54.531 54.000 0.093 0.000 0.863 485 D CB 0.122 40.955 40.800 0.055 0.000 0.973 485 D HN 0.119 nan 8.370 nan 0.000 0.501 486 L N 1.594 122.859 121.223 0.070 0.000 2.500 486 L HA 0.357 4.697 4.340 -0.000 0.000 0.272 486 L C 0.577 177.499 176.870 0.086 0.000 1.149 486 L CA -0.231 54.655 54.840 0.078 0.000 0.897 486 L CB -0.361 41.763 42.059 0.108 0.000 1.178 486 L HN 0.023 nan 8.230 nan 0.000 0.473 487 T N -0.462 114.133 114.554 0.069 0.000 2.807 487 T HA 0.534 4.884 4.350 -0.000 0.000 0.277 487 T C 1.047 175.781 174.700 0.056 0.000 1.006 487 T CA -0.672 61.465 62.100 0.062 0.000 1.006 487 T CB 1.361 70.258 68.868 0.050 0.000 1.274 487 T HN 0.478 nan 8.240 nan 0.000 0.569 488 R N 0.826 121.353 120.500 0.046 0.000 2.112 488 R HA -0.138 4.202 4.340 -0.000 0.000 0.242 488 R C 1.714 178.033 176.300 0.030 0.000 1.137 488 R CA 2.465 58.589 56.100 0.040 0.000 0.944 488 R CB -1.327 28.991 30.300 0.029 0.000 0.857 488 R HN 0.779 nan 8.270 nan 0.000 0.435 489 D N -0.436 119.978 120.400 0.023 0.000 2.110 489 D HA -0.132 4.508 4.640 -0.000 0.000 0.202 489 D C 1.694 177.999 176.300 0.009 0.000 0.975 489 D CA 1.185 55.193 54.000 0.013 0.000 0.839 489 D CB -0.265 40.541 40.800 0.011 0.000 0.996 489 D HN 0.084 nan 8.370 nan 0.000 0.464 490 K N 1.508 121.917 120.400 0.016 0.000 2.074 490 K HA -0.132 4.188 4.320 -0.000 0.000 0.209 490 K C 2.211 178.814 176.600 0.005 0.000 1.048 490 K CA 0.915 57.208 56.287 0.010 0.000 0.926 490 K CB -0.709 31.805 32.500 0.023 0.000 0.713 490 K HN 0.085 nan 8.250 nan 0.000 0.444 491 L N -0.012 121.225 121.223 0.025 0.000 2.083 491 L HA -0.097 4.243 4.340 -0.000 0.000 0.209 491 L C 2.366 179.228 176.870 -0.013 0.000 1.083 491 L CA 0.955 55.808 54.840 0.022 0.000 0.752 491 L CB -0.254 41.852 42.059 0.079 0.000 0.899 491 L HN 0.219 nan 8.230 nan 0.000 0.433 492 L N -1.196 120.023 121.223 -0.006 0.000 2.353 492 L HA -0.189 4.151 4.340 -0.000 0.000 0.220 492 L C 2.428 179.277 176.870 -0.035 0.000 1.133 492 L CA 0.713 55.541 54.840 -0.019 0.000 0.798 492 L CB -0.039 42.015 42.059 -0.009 0.000 0.922 492 L HN 0.259 nan 8.230 nan 0.000 0.445 493 S N -0.657 115.021 115.700 -0.037 0.000 2.362 493 S HA -0.141 4.329 4.470 -0.000 0.000 0.221 493 S C 1.745 176.304 174.600 -0.069 0.000 1.032 493 S CA 1.119 59.288 58.200 -0.052 0.000 0.973 493 S CB -0.119 63.052 63.200 -0.049 0.000 0.849 493 S HN 0.271 nan 8.310 nan 0.000 0.465 494 M N 1.763 121.319 119.600 -0.073 0.000 2.374 494 M HA 0.167 4.647 4.480 -0.000 0.000 0.264 494 M C 0.912 177.147 176.300 -0.109 0.000 1.067 494 M CA 0.151 55.392 55.300 -0.098 0.000 1.103 494 M CB -0.756 31.780 32.600 -0.107 0.000 1.402 494 M HN 0.225 nan 8.290 nan 0.000 0.444 495 A N 2.126 124.889 122.820 -0.094 0.000 2.561 495 A HA 0.196 4.516 4.320 -0.000 0.000 0.234 495 A C -2.025 175.507 177.584 -0.086 0.000 1.055 495 A CA -0.931 51.050 52.037 -0.093 0.000 0.756 495 A CB -1.019 17.940 19.000 -0.069 0.000 0.986 495 A HN 0.219 nan 8.150 nan 0.000 0.505 496 P HA 0.074 nan 4.420 nan 0.000 0.271 496 P C -1.018 176.246 177.300 -0.061 0.000 1.220 496 P CA 0.108 63.161 63.100 -0.078 0.000 0.768 496 P CB 0.663 32.317 31.700 -0.077 0.000 0.848 497 Q N 2.997 122.762 119.800 -0.058 0.000 2.503 497 Q HA 0.311 4.651 4.340 -0.000 0.000 0.227 497 Q C -0.282 175.694 176.000 -0.040 0.000 1.109 497 Q CA 0.183 55.957 55.803 -0.047 0.000 0.922 497 Q CB 0.978 29.686 28.738 -0.049 0.000 1.249 497 Q HN 0.540 nan 8.270 nan 0.000 0.530 498 E N 0.028 120.208 120.200 -0.034 0.000 2.352 498 E HA 0.414 4.764 4.350 -0.000 0.000 0.280 498 E C -0.370 176.216 176.600 -0.022 0.000 0.930 498 E CA -0.442 55.941 56.400 -0.028 0.000 0.765 498 E CB 1.565 31.247 29.700 -0.029 0.000 1.219 498 E HN 0.472 nan 8.360 nan 0.000 0.434 499 A N 1.142 123.951 122.820 -0.018 0.000 2.206 499 A HA -0.034 4.286 4.320 -0.000 0.000 0.211 499 A C 1.489 179.066 177.584 -0.012 0.000 1.158 499 A CA 0.977 53.006 52.037 -0.014 0.000 0.761 499 A CB -0.313 18.680 19.000 -0.012 0.000 0.801 499 A HN 0.544 nan 8.150 nan 0.000 0.473 500 T N -0.227 114.319 114.554 -0.013 0.000 3.118 500 T HA 0.244 4.594 4.350 -0.000 0.000 0.260 500 T C -0.027 174.667 174.700 -0.009 0.000 1.139 500 T CA 0.480 62.574 62.100 -0.010 0.000 1.085 500 T CB -0.288 68.575 68.868 -0.010 0.000 0.934 500 T HN 0.155 nan 8.240 nan 0.000 0.518 501 L N 1.655 122.871 121.223 -0.012 0.000 2.333 501 L HA 0.419 4.759 4.340 -0.000 0.000 0.280 501 L C -0.250 176.613 176.870 -0.011 0.000 1.004 501 L CA -0.965 53.868 54.840 -0.012 0.000 0.820 501 L CB 1.442 43.489 42.059 -0.019 0.000 1.247 501 L HN -0.116 nan 8.230 nan 0.000 0.416 502 D N 2.145 122.541 120.400 -0.007 0.000 2.402 502 D HA -0.032 4.608 4.640 -0.000 0.000 0.268 502 D C 1.109 177.405 176.300 -0.007 0.000 1.294 502 D CA 0.331 54.328 54.000 -0.005 0.000 0.945 502 D CB 0.865 41.664 40.800 -0.002 0.000 1.112 502 D HN 0.390 nan 8.370 nan 0.000 0.517 503 Q N 3.073 122.868 119.800 -0.009 0.000 2.217 503 Q HA -0.265 4.075 4.340 -0.000 0.000 0.209 503 Q C 1.721 177.717 176.000 -0.007 0.000 0.988 503 Q CA 1.615 57.412 55.803 -0.010 0.000 0.878 503 Q CB -0.251 28.481 28.738 -0.010 0.000 0.909 503 Q HN 0.695 nan 8.270 nan 0.000 0.424 504 A N 0.681 123.499 122.820 -0.004 0.000 1.872 504 A HA 0.027 4.347 4.320 -0.000 0.000 0.214 504 A C 2.352 179.936 177.584 0.001 0.000 1.187 504 A CA 1.547 53.584 52.037 -0.001 0.000 0.614 504 A CB -0.632 18.368 19.000 0.000 0.000 0.826 504 A HN 0.365 nan 8.150 nan 0.000 0.442 505 A N -0.283 122.537 122.820 0.000 0.000 1.908 505 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 505 A C 2.213 179.797 177.584 0.001 0.000 1.181 505 A CA 1.894 53.933 52.037 0.003 0.000 0.627 505 A CB -1.048 17.953 19.000 0.002 0.000 0.818 505 A HN 0.419 nan 8.150 nan 0.000 0.445 506 V N -0.372 119.539 119.914 -0.005 0.000 2.287 506 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 506 V C 2.776 178.868 176.094 -0.004 0.000 1.053 506 V CA 2.395 64.688 62.300 -0.011 0.000 1.027 506 V CB -1.085 30.727 31.823 -0.019 0.000 0.646 506 V HN 0.663 nan 8.190 nan 0.000 0.447 507 S N 0.342 116.042 115.700 -0.001 0.000 2.365 507 S HA -0.267 4.203 4.470 -0.000 0.000 0.225 507 S C 1.951 176.560 174.600 0.015 0.000 1.039 507 S CA 2.066 60.270 58.200 0.006 0.000 1.033 507 S CB -0.538 62.665 63.200 0.005 0.000 0.887 507 S HN 0.695 nan 8.310 nan 0.000 0.447 508 N N 1.735 120.444 118.700 0.015 0.000 2.104 508 N HA -0.081 4.659 4.740 -0.000 0.000 0.190 508 N C 1.961 177.492 175.510 0.034 0.000 1.024 508 N CA 1.385 54.448 53.050 0.021 0.000 0.853 508 N CB -0.898 37.599 38.487 0.017 0.000 1.008 508 N HN 0.529 nan 8.380 nan 0.000 0.424 509 A N 1.231 124.069 122.820 0.029 0.000 1.865 509 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 509 A C 2.586 180.212 177.584 0.071 0.000 1.191 509 A CA 1.707 53.768 52.037 0.040 0.000 0.623 509 A CB -0.929 18.075 19.000 0.006 0.000 0.826 509 A HN 0.110 nan 8.150 nan 0.000 0.444 510 V N 0.721 120.663 119.914 0.046 0.000 2.287 510 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 510 V C 2.207 178.369 176.094 0.113 0.000 1.053 510 V CA 2.322 64.665 62.300 0.072 0.000 1.027 510 V CB -0.912 30.932 31.823 0.035 0.000 0.646 510 V HN 0.524 nan 8.190 nan 0.000 0.447 511 D N 0.557 121.001 120.400 0.073 0.000 2.097 511 D HA -0.120 4.520 4.640 -0.000 0.000 0.195 511 D C 2.217 178.561 176.300 0.072 0.000 0.989 511 D CA 1.795 55.832 54.000 0.061 0.000 0.827 511 D CB -0.376 40.446 40.800 0.036 0.000 0.966 511 D HN 0.495 nan 8.370 nan 0.000 0.456 512 G N 0.574 109.424 108.800 0.083 0.000 2.459 512 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.217 512 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.217 512 G C 1.500 176.475 174.900 0.124 0.000 1.183 512 G CA 0.390 45.540 45.100 0.083 0.000 0.776 512 G HN 0.189 nan 8.290 nan 0.000 0.552 513 F N 0.987 120.953 119.950 0.026 0.000 2.065 513 F HA -0.091 4.436 4.527 -0.000 0.000 0.298 513 F C 2.413 178.248 175.800 0.059 0.000 1.112 513 F CA 1.568 59.602 58.000 0.057 0.000 1.212 513 F CB -0.546 38.476 39.000 0.037 0.000 0.975 513 F HN 0.111 nan 8.300 nan 0.000 0.476 514 L N 0.436 121.726 121.223 0.111 0.000 2.081 514 L HA -0.080 4.260 4.340 -0.000 0.000 0.212 514 L C 2.403 179.236 176.870 -0.062 0.000 1.080 514 L CA 2.190 57.036 54.840 0.009 0.000 0.754 514 L CB -1.457 40.640 42.059 0.063 0.000 0.893 514 L HN 0.233 nan 8.230 nan 0.000 0.433 515 G N -1.059 107.715 108.800 -0.044 0.000 2.434 515 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.214 515 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.214 515 G C 1.750 176.572 174.900 -0.131 0.000 1.202 515 G CA 0.664 45.723 45.100 -0.068 0.000 0.788 515 G HN 0.409 nan 8.290 nan 0.000 0.539 516 R N -0.153 120.247 120.500 -0.168 0.000 2.193 516 R HA 0.130 4.470 4.340 -0.000 0.000 0.229 516 R C 2.412 178.469 176.300 -0.405 0.000 1.110 516 R CA 0.768 56.700 56.100 -0.280 0.000 0.988 516 R CB -0.302 29.826 30.300 -0.287 0.000 0.871 516 R HN 0.417 nan 8.270 nan 0.000 0.458 517 L N 0.292 121.309 121.223 -0.344 0.000 2.109 517 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 517 L C 2.105 178.874 176.870 -0.168 0.000 1.086 517 L CA 1.597 56.269 54.840 -0.279 0.000 0.760 517 L CB -0.157 41.719 42.059 -0.306 0.000 0.910 517 L HN 0.340 nan 8.230 nan 0.000 0.437 518 S N -1.271 114.348 115.700 -0.135 0.000 2.522 518 S HA -0.023 4.447 4.470 -0.000 0.000 0.227 518 S C 1.653 176.190 174.600 -0.106 0.000 0.986 518 S CA 0.343 58.492 58.200 -0.086 0.000 0.929 518 S CB -0.112 63.052 63.200 -0.060 0.000 0.769 518 S HN 0.435 nan 8.310 nan 0.000 0.529 519 L N -0.028 121.104 121.223 -0.151 0.000 2.362 519 L HA 0.315 4.655 4.340 -0.000 0.000 0.204 519 L C 2.788 179.555 176.870 -0.171 0.000 1.060 519 L CA 0.795 55.544 54.840 -0.151 0.000 0.827 519 L CB -0.336 41.627 42.059 -0.160 0.000 1.027 519 L HN 0.258 nan 8.230 nan 0.000 0.474 520 E N 0.791 120.843 120.200 -0.246 0.000 2.106 520 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 520 E C 1.064 177.576 176.600 -0.147 0.000 0.984 520 E CA 0.762 57.013 56.400 -0.249 0.000 0.806 520 E CB 0.264 29.666 29.700 -0.498 0.000 0.750 520 E HN 0.104 nan 8.360 nan 0.000 0.458 521 R N 0.161 120.590 120.500 -0.119 0.000 2.532 521 R HA 0.268 4.608 4.340 -0.000 0.000 0.295 521 R C -0.246 176.017 176.300 -0.062 0.000 0.968 521 R CA -0.403 55.667 56.100 -0.049 0.000 0.916 521 R CB 0.876 31.188 30.300 0.020 0.000 1.124 521 R HN 0.005 nan 8.270 nan 0.000 0.463 522 E N 1.451 121.602 120.200 -0.082 0.000 2.573 522 E HA 0.169 4.519 4.350 -0.000 0.000 0.218 522 E C -0.412 176.089 176.600 -0.164 0.000 0.777 522 E CA -0.900 55.418 56.400 -0.137 0.000 0.970 522 E CB 0.871 30.447 29.700 -0.206 0.000 1.666 522 E HN 0.575 nan 8.360 nan 0.000 0.384 523 D N 0.162 120.389 120.400 -0.290 0.000 2.431 523 D HA -0.028 4.612 4.640 -0.000 0.000 0.235 523 D C 1.749 177.593 176.300 -0.761 0.000 0.980 523 D CA 0.273 54.062 54.000 -0.350 0.000 0.912 523 D CB 0.345 41.021 40.800 -0.208 0.000 1.056 523 D HN 0.283 nan 8.370 nan 0.000 0.494 524 R N 1.342 121.117 120.500 -1.209 0.000 2.293 524 R HA -0.096 4.243 4.340 -0.000 0.000 0.219 524 R C 0.463 176.253 176.300 -0.849 0.000 1.091 524 R CA 0.776 55.778 56.100 -1.829 0.000 1.004 524 R CB -0.644 28.695 30.300 -1.602 0.000 0.865 524 R HN 0.001 nan 8.270 nan 0.000 0.469 525 D N 1.374 121.471 120.400 -0.505 0.000 2.403 525 D HA -0.031 4.609 4.640 -0.000 0.000 0.227 525 D C 0.931 177.143 176.300 -0.147 0.000 0.995 525 D CA 1.335 55.195 54.000 -0.234 0.000 0.928 525 D CB 0.284 41.017 40.800 -0.112 0.000 0.887 525 D HN 0.504 nan 8.370 nan 0.000 0.529 526 A N -1.124 121.536 122.820 -0.267 0.000 2.661 526 A HA 0.123 4.442 4.320 -0.000 0.000 0.278 526 A C 0.657 178.083 177.584 -0.264 0.000 1.090 526 A CA -0.539 51.413 52.037 -0.142 0.000 0.969 526 A CB -0.220 18.786 19.000 0.010 0.000 1.240 526 A HN 0.092 nan 8.150 nan 0.000 0.578 527 W N 0.179 121.146 121.300 -0.554 0.000 2.825 527 W HA 0.094 4.754 4.660 -0.000 0.000 0.243 527 W C 1.459 177.806 176.519 -0.288 0.000 1.293 527 W CA 0.588 57.597 57.345 -0.560 0.000 1.403 527 W CB -0.376 28.800 29.460 -0.473 0.000 1.134 527 W HN 0.515 nan 8.180 nan 0.000 0.666 528 H N -1.064 118.053 119.070 0.077 0.000 2.563 528 H HA 0.204 4.760 4.556 -0.000 0.000 0.264 528 H C 0.652 176.023 175.328 0.072 0.000 0.957 528 H CA 0.177 56.265 56.048 0.067 0.000 1.173 528 H CB -0.006 29.780 29.762 0.041 0.000 1.420 528 H HN -0.040 nan 8.280 nan 0.000 0.551 529 L N 2.210 123.550 121.223 0.196 0.000 2.360 529 L HA 0.086 4.426 4.340 -0.000 0.000 0.276 529 L C -1.127 175.856 176.870 0.189 0.000 1.121 529 L CA -1.547 53.403 54.840 0.184 0.000 0.845 529 L CB 1.483 43.665 42.059 0.205 0.000 1.143 529 L HN -0.023 nan 8.230 nan 0.000 0.452 530 P HA -0.186 nan 4.420 nan 0.000 0.215 530 P C 1.080 178.452 177.300 0.120 0.000 1.157 530 P CA 1.369 64.540 63.100 0.117 0.000 0.868 530 P CB 0.219 31.970 31.700 0.085 0.000 0.788 531 A N -1.917 120.976 122.820 0.122 0.000 2.067 531 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 531 A C 2.121 179.776 177.584 0.118 0.000 1.158 531 A CA 0.940 53.034 52.037 0.096 0.000 0.661 531 A CB -1.804 17.243 19.000 0.078 0.000 0.801 531 A HN 0.132 nan 8.150 nan 0.000 0.452 532 Y N 1.467 121.805 120.300 0.063 0.000 2.102 532 Y HA -0.320 4.230 4.550 -0.000 0.000 0.280 532 Y C 1.955 177.866 175.900 0.019 0.000 1.178 532 Y CA 2.479 60.617 58.100 0.064 0.000 1.146 532 Y CB -0.261 38.264 38.460 0.108 0.000 0.968 532 Y HN 0.369 nan 8.280 nan 0.000 0.504 533 K N -1.142 119.327 120.400 0.114 0.000 2.520 533 K HA -0.134 4.186 4.320 -0.000 0.000 0.197 533 K C 1.367 177.926 176.600 -0.068 0.000 1.043 533 K CA 0.949 57.240 56.287 0.007 0.000 0.944 533 K CB -0.476 32.043 32.500 0.030 0.000 0.770 533 K HN 0.324 nan 8.250 nan 0.000 0.480 534 c N 0.600 119.153 118.600 -0.078 0.000 2.855 534 c HA 0.188 4.758 4.570 -0.000 0.000 0.279 534 c C 0.431 174.454 174.090 -0.111 0.000 1.270 534 c CA -0.720 55.562 56.329 -0.079 0.000 1.702 534 c CB -0.573 41.910 42.510 -0.046 0.000 1.949 534 c HN 0.019 nan 8.230 nan 0.000 0.618 535 V N 2.032 121.836 119.914 -0.183 0.000 2.328 535 V HA 0.238 4.358 4.120 -0.000 0.000 0.278 535 V C 0.228 176.220 176.094 -0.171 0.000 1.021 535 V CA -0.014 62.180 62.300 -0.178 0.000 0.838 535 V CB 1.081 32.767 31.823 -0.227 0.000 0.999 535 V HN 0.241 nan 8.190 nan 0.000 0.447 536 D N 3.106 123.437 120.400 -0.115 0.000 2.087 536 D HA -0.024 4.616 4.640 -0.000 0.000 0.203 536 D C 1.185 177.434 176.300 -0.085 0.000 0.976 536 D CA 1.293 55.237 54.000 -0.093 0.000 0.865 536 D CB 0.105 40.862 40.800 -0.072 0.000 1.005 536 D HN 0.408 nan 8.370 nan 0.000 0.449 537 R N 1.942 122.403 120.500 -0.065 0.000 3.266 537 R HA 0.146 4.486 4.340 -0.000 0.000 0.224 537 R C 1.291 177.559 176.300 -0.054 0.000 1.525 537 R CA -0.093 55.979 56.100 -0.047 0.000 1.364 537 R CB -0.176 30.110 30.300 -0.024 0.000 1.276 537 R HN 0.322 nan 8.270 nan 0.000 0.660 538 L N -0.634 120.538 121.223 -0.085 0.000 2.362 538 L HA -0.067 4.273 4.340 -0.000 0.000 0.219 538 L C 1.422 178.249 176.870 -0.071 0.000 1.134 538 L CA 1.126 55.900 54.840 -0.110 0.000 0.807 538 L CB -0.303 41.648 42.059 -0.182 0.000 0.927 538 L HN 0.296 nan 8.230 nan 0.000 0.447 539 D N 0.771 121.146 120.400 -0.041 0.000 2.269 539 D HA -0.192 4.448 4.640 -0.000 0.000 0.208 539 D C 1.002 177.304 176.300 0.003 0.000 0.963 539 D CA 0.873 54.859 54.000 -0.022 0.000 0.864 539 D CB -0.206 40.588 40.800 -0.009 0.000 0.936 539 D HN 0.530 nan 8.370 nan 0.000 0.505 540 K N 1.000 121.407 120.400 0.013 0.000 2.577 540 K HA 0.233 4.553 4.320 -0.000 0.000 0.210 540 K C -0.285 176.354 176.600 0.064 0.000 1.048 540 K CA -0.202 56.110 56.287 0.042 0.000 1.188 540 K CB 1.515 34.045 32.500 0.049 0.000 0.910 540 K HN 0.007 nan 8.250 nan 0.000 0.483 541 V N 2.371 122.320 119.914 0.058 0.000 2.383 541 V HA 0.110 4.230 4.120 -0.000 0.000 0.275 541 V C 1.435 177.637 176.094 0.180 0.000 1.036 541 V CA -0.228 62.134 62.300 0.103 0.000 0.889 541 V CB 1.134 32.997 31.823 0.067 0.000 0.985 541 V HN 0.291 nan 8.190 nan 0.000 0.459 542 L N 4.473 125.803 121.223 0.178 0.000 2.049 542 L HA 0.216 4.556 4.340 -0.000 0.000 0.203 542 L C 0.754 177.766 176.870 0.237 0.000 1.074 542 L CA 1.336 56.283 54.840 0.178 0.000 0.749 542 L CB -0.056 42.067 42.059 0.107 0.000 0.907 542 L HN 0.740 nan 8.230 nan 0.000 0.439 543 M N -0.096 119.638 119.600 0.223 0.000 2.449 543 M HA 0.423 4.903 4.480 -0.000 0.000 0.291 543 M C -1.781 174.641 176.300 0.203 0.000 1.148 543 M CA -0.708 54.703 55.300 0.185 0.000 0.925 543 M CB 2.270 34.891 32.600 0.036 0.000 1.767 543 M HN 0.028 nan 8.290 nan 0.000 0.503 544 I N 1.241 121.949 120.570 0.230 0.000 2.412 544 I HA 0.643 4.813 4.170 -0.000 0.000 0.296 544 I C -1.181 175.031 176.117 0.159 0.000 0.987 544 I CA -0.949 60.485 61.300 0.223 0.000 1.180 544 I CB 1.678 39.846 38.000 0.281 0.000 1.340 544 I HN 0.762 nan 8.210 nan 0.000 0.455 545 I N 6.274 126.954 120.570 0.183 0.000 2.428 545 I HA 0.362 4.532 4.170 -0.000 0.000 0.279 545 I C -2.447 173.759 176.117 0.147 0.000 1.040 545 I CA -1.890 59.498 61.300 0.146 0.000 1.171 545 I CB 1.207 39.311 38.000 0.173 0.000 1.312 545 I HN 0.297 nan 8.210 nan 0.000 0.470 546 P HA 0.156 nan 4.420 nan 0.000 0.269 546 P C -0.514 176.782 177.300 -0.006 0.000 1.252 546 P CA -0.063 63.068 63.100 0.052 0.000 0.780 546 P CB 0.628 32.353 31.700 0.042 0.000 0.829 547 L N 3.710 124.972 121.223 0.065 0.000 2.492 547 L HA 0.392 4.732 4.340 -0.000 0.000 0.263 547 L C 1.751 178.683 176.870 0.103 0.000 1.062 547 L CA -0.542 54.352 54.840 0.090 0.000 0.817 547 L CB 0.122 42.331 42.059 0.251 0.000 1.441 547 L HN 0.260 nan 8.230 nan 0.000 0.493 548 I N 0.103 120.780 120.570 0.178 0.000 2.110 548 I HA -0.200 3.970 4.170 -0.000 0.000 0.236 548 I C 1.285 177.479 176.117 0.128 0.000 1.068 548 I CA 1.240 62.639 61.300 0.166 0.000 1.333 548 I CB -0.228 37.900 38.000 0.214 0.000 1.054 548 I HN 0.609 nan 8.210 nan 0.000 0.402 549 N N 0.080 118.864 118.700 0.139 0.000 2.299 549 N HA 0.104 4.844 4.740 -0.000 0.000 0.187 549 N C -0.044 175.503 175.510 0.061 0.000 1.099 549 N CA 0.398 53.508 53.050 0.100 0.000 0.867 549 N CB 1.057 39.611 38.487 0.111 0.000 0.974 549 N HN 0.304 nan 8.380 nan 0.000 0.477 550 V N -3.013 116.934 119.914 0.055 0.000 3.112 550 V HA 0.746 4.866 4.120 -0.000 0.000 0.310 550 V C -0.937 175.141 176.094 -0.027 0.000 1.364 550 V CA -0.834 61.446 62.300 -0.034 0.000 1.058 550 V CB 1.602 33.335 31.823 -0.150 0.000 1.079 550 V HN 0.066 nan 8.190 nan 0.000 0.463 551 T N -1.284 113.197 114.554 -0.123 0.000 3.143 551 T HA 0.671 5.021 4.350 -0.000 0.000 0.312 551 T C -1.162 173.474 174.700 -0.106 0.000 0.986 551 T CA -0.055 62.029 62.100 -0.026 0.000 1.024 551 T CB 0.646 69.535 68.868 0.036 0.000 1.030 551 T HN 0.617 nan 8.240 nan 0.000 0.448 552 F N 2.275 122.274 119.950 0.082 0.000 2.384 552 F HA 0.606 5.133 4.527 -0.000 0.000 0.338 552 F C 0.646 176.504 175.800 0.096 0.000 1.103 552 F CA -1.106 56.948 58.000 0.089 0.000 1.157 552 F CB 1.035 40.087 39.000 0.086 0.000 1.167 552 F HN 0.480 nan 8.300 nan 0.000 0.529 553 I N 5.180 125.912 120.570 0.269 0.000 2.437 553 I HA 0.249 4.419 4.170 -0.000 0.000 0.279 553 I C -0.974 175.270 176.117 0.212 0.000 1.028 553 I CA -0.570 60.852 61.300 0.203 0.000 1.142 553 I CB 0.949 39.025 38.000 0.125 0.000 1.266 553 I HN 0.316 nan 8.210 nan 0.000 0.461 554 I N 6.156 126.846 120.570 0.200 0.000 2.352 554 I HA 0.272 4.442 4.170 -0.000 0.000 0.290 554 I C 0.575 176.786 176.117 0.157 0.000 1.036 554 I CA 0.672 62.073 61.300 0.168 0.000 1.336 554 I CB 0.984 39.056 38.000 0.120 0.000 1.407 554 I HN 0.626 nan 8.210 nan 0.000 0.497 555 S N 2.473 118.275 115.700 0.170 0.000 2.656 555 S HA 0.482 4.952 4.470 -0.000 0.000 0.273 555 S C 0.066 174.785 174.600 0.198 0.000 1.168 555 S CA -0.276 58.020 58.200 0.161 0.000 0.817 555 S CB 1.371 64.658 63.200 0.145 0.000 1.146 555 S HN 0.480 nan 8.310 nan 0.000 0.475 556 S N -0.139 115.661 115.700 0.167 0.000 2.622 556 S HA 0.317 4.787 4.470 -0.000 0.000 0.236 556 S C -0.337 174.454 174.600 0.318 0.000 0.956 556 S CA -0.299 58.000 58.200 0.164 0.000 0.971 556 S CB -0.967 62.274 63.200 0.070 0.000 0.782 556 S HN 0.854 nan 8.310 nan 0.000 0.468 557 D N 0.694 121.321 120.400 0.379 0.000 2.934 557 D HA 0.167 4.807 4.640 -0.000 0.000 0.230 557 D C 0.081 176.344 176.300 -0.061 0.000 1.204 557 D CA -0.848 53.275 54.000 0.205 0.000 0.873 557 D CB 1.262 42.105 40.800 0.073 0.000 1.645 557 D HN 0.303 nan 8.370 nan 0.000 0.502 558 R N 0.687 120.922 120.500 -0.441 0.000 2.555 558 R HA 0.170 4.510 4.340 -0.000 0.000 0.272 558 R C -0.010 176.103 176.300 -0.312 0.000 1.089 558 R CA -0.313 55.366 56.100 -0.702 0.000 1.126 558 R CB 0.067 29.775 30.300 -0.987 0.000 1.250 558 R HN 0.232 nan 8.270 nan 0.000 0.551 559 E N 0.878 120.972 120.200 -0.178 0.000 2.318 559 E HA 0.032 4.382 4.350 -0.000 0.000 0.193 559 E C 0.496 177.036 176.600 -0.101 0.000 0.998 559 E CA 0.213 56.543 56.400 -0.117 0.000 0.859 559 E CB 0.246 29.899 29.700 -0.078 0.000 0.812 559 E HN 0.132 nan 8.360 nan 0.000 0.492 560 V N 3.544 123.402 119.914 -0.093 0.000 2.617 560 V HA -0.122 3.998 4.120 -0.000 0.000 0.304 560 V C 1.101 177.149 176.094 -0.077 0.000 1.040 560 V CA 0.544 62.801 62.300 -0.071 0.000 1.149 560 V CB -0.052 31.748 31.823 -0.038 0.000 0.914 560 V HN 0.246 nan 8.190 nan 0.000 0.487 561 R N 3.608 124.067 120.500 -0.069 0.000 4.306 561 R HA 0.443 4.783 4.340 -0.000 0.000 0.266 561 R C 0.697 176.964 176.300 -0.055 0.000 1.624 561 R CA 0.024 56.085 56.100 -0.064 0.000 1.487 561 R CB 0.030 30.294 30.300 -0.060 0.000 1.441 561 R HN 0.692 nan 8.270 nan 0.000 0.750 562 G N 0.449 109.216 108.800 -0.055 0.000 3.048 562 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.151 562 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.151 562 G C 0.438 175.306 174.900 -0.054 0.000 1.803 562 G CA -0.261 44.807 45.100 -0.052 0.000 1.047 562 G HN 0.312 nan 8.290 nan 0.000 0.513 563 S N -0.686 114.981 115.700 -0.056 0.000 2.564 563 S HA 0.610 5.080 4.470 -0.000 0.000 0.231 563 S C 0.536 175.100 174.600 -0.060 0.000 1.067 563 S CA 0.490 58.660 58.200 -0.051 0.000 0.908 563 S CB 0.661 63.835 63.200 -0.044 0.000 0.809 563 S HN 0.993 nan 8.310 nan 0.000 0.491 564 A N 0.672 123.451 122.820 -0.068 0.000 2.602 564 A HA 0.787 5.107 4.320 -0.000 0.000 0.290 564 A C -2.228 175.280 177.584 -0.126 0.000 1.114 564 A CA -0.562 51.400 52.037 -0.124 0.000 0.683 564 A CB 1.032 19.927 19.000 -0.176 0.000 1.281 564 A HN 0.183 nan 8.150 nan 0.000 0.416 565 L N 0.528 121.629 121.223 -0.203 0.000 2.356 565 L HA 0.777 5.117 4.340 -0.000 0.000 0.277 565 L C -1.825 174.952 176.870 -0.155 0.000 0.996 565 L CA -0.243 54.521 54.840 -0.126 0.000 0.822 565 L CB 1.221 43.188 42.059 -0.153 0.000 1.256 565 L HN 0.636 nan 8.230 nan 0.000 0.413 566 Y N 2.658 123.051 120.300 0.156 0.000 2.468 566 Y HA 0.657 5.207 4.550 -0.000 0.000 0.342 566 Y C -0.291 175.759 175.900 0.250 0.000 1.021 566 Y CA -0.631 57.571 58.100 0.169 0.000 1.079 566 Y CB 1.975 40.523 38.460 0.147 0.000 1.226 566 Y HN 0.597 nan 8.280 nan 0.000 0.460 567 E N 1.609 122.022 120.200 0.356 0.000 2.278 567 E HA 0.714 5.064 4.350 -0.000 0.000 0.272 567 E C -1.438 175.187 176.600 0.041 0.000 0.890 567 E CA -0.812 55.686 56.400 0.164 0.000 0.770 567 E CB 1.294 31.103 29.700 0.182 0.000 1.212 567 E HN 0.786 nan 8.360 nan 0.000 0.415 568 A N 2.270 125.031 122.820 -0.099 0.000 2.386 568 A HA 0.222 4.542 4.320 -0.000 0.000 0.246 568 A C 1.069 178.618 177.584 -0.060 0.000 1.089 568 A CA 0.397 52.361 52.037 -0.121 0.000 0.790 568 A CB 0.439 19.188 19.000 -0.418 0.000 1.042 568 A HN 0.809 nan 8.150 nan 0.000 0.497 569 S N -0.102 115.602 115.700 0.007 0.000 2.453 569 S HA -0.024 4.446 4.470 -0.000 0.000 0.231 569 S C 1.063 175.709 174.600 0.078 0.000 1.005 569 S CA 1.028 59.248 58.200 0.034 0.000 0.949 569 S CB -0.632 62.584 63.200 0.027 0.000 0.774 569 S HN 0.934 nan 8.310 nan 0.000 0.510 570 T N 2.788 117.421 114.554 0.130 0.000 2.901 570 T HA 0.328 4.678 4.350 -0.000 0.000 0.301 570 T C 0.858 175.605 174.700 0.078 0.000 1.012 570 T CA 0.591 62.815 62.100 0.207 0.000 1.135 570 T CB 0.692 69.754 68.868 0.324 0.000 0.936 570 T HN 0.475 nan 8.240 nan 0.000 0.539 571 T N 1.993 116.602 114.554 0.091 0.000 3.144 571 T HA 0.179 4.529 4.350 -0.000 0.000 0.290 571 T C 1.198 175.888 174.700 -0.016 0.000 0.966 571 T CA -0.363 61.729 62.100 -0.014 0.000 0.907 571 T CB -0.468 68.363 68.868 -0.063 0.000 1.152 571 T HN 0.622 nan 8.240 nan 0.000 0.532 572 Y N 2.010 122.314 120.300 0.007 0.000 2.207 572 Y HA 0.114 4.664 4.550 -0.000 0.000 0.287 572 Y C 1.127 177.021 175.900 -0.010 0.000 1.156 572 Y CA 0.515 58.619 58.100 0.007 0.000 1.182 572 Y CB -0.551 37.922 38.460 0.022 0.000 0.979 572 Y HN 0.217 nan 8.280 nan 0.000 0.521 573 L N -0.828 120.477 121.223 0.136 0.000 2.473 573 L HA -0.056 4.284 4.340 -0.000 0.000 0.265 573 L C 1.675 178.557 176.870 0.020 0.000 1.243 573 L CA 0.542 55.417 54.840 0.058 0.000 0.822 573 L CB -0.010 42.059 42.059 0.017 0.000 1.101 573 L HN -0.080 nan 8.230 nan 0.000 0.507 574 S N -0.969 114.739 115.700 0.012 0.000 2.351 574 S HA -0.124 4.346 4.470 -0.000 0.000 0.220 574 S C 0.924 175.519 174.600 -0.008 0.000 1.035 574 S CA 1.541 59.743 58.200 0.004 0.000 1.031 574 S CB -0.179 63.027 63.200 0.009 0.000 0.928 574 S HN 0.678 nan 8.310 nan 0.000 0.433 575 S N 0.228 115.919 115.700 -0.015 0.000 2.667 575 S HA 0.566 5.036 4.470 -0.000 0.000 0.292 575 S C 0.217 174.759 174.600 -0.095 0.000 1.108 575 S CA -0.818 57.364 58.200 -0.030 0.000 0.992 575 S CB 1.149 64.350 63.200 0.000 0.000 1.269 575 S HN 0.307 nan 8.310 nan 0.000 0.528 576 S N 0.546 116.137 115.700 -0.182 0.000 2.713 576 S HA 0.573 5.043 4.470 -0.000 0.000 0.283 576 S C -1.025 173.278 174.600 -0.495 0.000 1.161 576 S CA -0.519 57.432 58.200 -0.414 0.000 0.999 576 S CB 0.811 63.569 63.200 -0.736 0.000 1.039 576 S HN 0.410 nan 8.310 nan 0.000 0.548 577 L N 2.596 123.482 121.223 -0.561 0.000 2.301 577 L HA 0.543 4.883 4.340 -0.000 0.000 0.278 577 L C -1.673 174.951 176.870 -0.410 0.000 1.022 577 L CA -0.107 54.491 54.840 -0.404 0.000 0.854 577 L CB -0.541 41.288 42.059 -0.384 0.000 1.226 577 L HN 0.403 nan 8.230 nan 0.000 0.429 578 F N 4.516 124.463 119.950 -0.005 0.000 2.440 578 F HA 0.614 5.141 4.527 -0.000 0.000 0.328 578 F C -0.134 175.713 175.800 0.077 0.000 1.070 578 F CA -0.707 57.317 58.000 0.040 0.000 1.011 578 F CB 1.345 40.369 39.000 0.040 0.000 1.226 578 F HN 0.137 nan 8.300 nan 0.000 0.491 579 L N 1.715 123.169 121.223 0.385 0.000 2.471 579 L HA 0.340 4.680 4.340 -0.000 0.000 0.263 579 L C -0.795 176.301 176.870 0.377 0.000 0.985 579 L CA -0.128 54.922 54.840 0.350 0.000 0.868 579 L CB 1.466 43.717 42.059 0.321 0.000 1.203 579 L HN 0.457 nan 8.230 nan 0.000 0.429 580 S N 4.713 120.578 115.700 0.276 0.000 2.420 580 S HA 0.481 4.951 4.470 -0.000 0.000 0.313 580 S C -2.484 172.176 174.600 0.101 0.000 1.079 580 S CA -1.046 57.249 58.200 0.160 0.000 1.104 580 S CB 1.047 64.288 63.200 0.068 0.000 0.969 580 S HN 0.283 nan 8.310 nan 0.000 0.471 581 P HA 0.318 nan 4.420 nan 0.000 0.301 581 P C -0.985 176.176 177.300 -0.231 0.000 1.338 581 P CA -0.591 62.290 63.100 -0.366 0.000 0.834 581 P CB 1.303 32.666 31.700 -0.562 0.000 0.967 582 V N 6.426 126.208 119.914 -0.220 0.000 2.320 582 V HA 0.187 4.307 4.120 -0.000 0.000 0.265 582 V C 1.097 177.119 176.094 -0.120 0.000 1.048 582 V CA -0.664 61.565 62.300 -0.119 0.000 0.865 582 V CB 0.517 32.303 31.823 -0.063 0.000 1.043 582 V HN 0.562 nan 8.190 nan 0.000 0.474 583 I N 5.844 126.357 120.570 -0.095 0.000 2.588 583 I HA 0.133 4.303 4.170 -0.000 0.000 0.283 583 I C 1.002 177.104 176.117 -0.026 0.000 1.119 583 I CA -0.099 61.165 61.300 -0.061 0.000 1.419 583 I CB 0.536 38.515 38.000 -0.035 0.000 1.394 583 I HN 0.780 nan 8.210 nan 0.000 0.562 584 M N 6.031 125.627 119.600 -0.006 0.000 2.503 584 M HA -0.332 4.147 4.480 -0.000 0.000 0.199 584 M C 0.598 176.904 176.300 0.011 0.000 0.466 584 M CA 1.064 56.371 55.300 0.011 0.000 0.510 584 M CB -2.159 30.449 32.600 0.014 0.000 1.858 584 M HN 0.885 nan 8.290 nan 0.000 0.799 585 N N -0.771 117.931 118.700 0.004 0.000 2.644 585 N HA -0.261 4.479 4.740 -0.000 0.000 0.248 585 N C -0.372 175.146 175.510 0.013 0.000 1.150 585 N CA 1.511 54.569 53.050 0.013 0.000 0.727 585 N CB -0.639 37.868 38.487 0.034 0.000 1.091 585 N HN 0.814 nan 8.380 nan 0.000 0.556 586 K N -0.335 120.066 120.400 0.002 0.000 2.426 586 K HA 0.610 4.930 4.320 -0.000 0.000 0.254 586 K C -0.254 176.339 176.600 -0.011 0.000 0.936 586 K CA -0.982 55.306 56.287 0.001 0.000 0.801 586 K CB 1.332 33.834 32.500 0.003 0.000 1.139 586 K HN 0.144 nan 8.250 nan 0.000 0.424 587 c N 0.720 119.311 118.600 -0.014 0.000 2.365 587 c HA 0.740 5.310 4.570 -0.000 0.000 0.349 587 c C 0.613 174.688 174.090 -0.025 0.000 1.191 587 c CA -0.837 55.477 56.329 -0.025 0.000 2.114 587 c CB 0.633 43.125 42.510 -0.030 0.000 2.367 587 c HN 0.912 nan 8.230 nan 0.000 0.530 588 S N 1.659 117.341 115.700 -0.030 0.000 2.652 588 S HA 0.442 4.912 4.470 -0.000 0.000 0.270 588 S C -0.393 174.187 174.600 -0.034 0.000 1.243 588 S CA -0.604 57.578 58.200 -0.029 0.000 0.999 588 S CB 0.531 63.713 63.200 -0.030 0.000 0.973 588 S HN 0.931 nan 8.310 nan 0.000 0.544 589 Q N 0.677 120.459 119.800 -0.031 0.000 2.293 589 Q HA 0.507 4.847 4.340 -0.000 0.000 0.263 589 Q C 0.523 176.501 176.000 -0.038 0.000 1.002 589 Q CA -0.306 55.477 55.803 -0.033 0.000 0.910 589 Q CB -0.133 28.588 28.738 -0.028 0.000 1.185 589 Q HN 1.447 nan 8.270 nan 0.000 0.401 590 G N 1.095 109.869 108.800 -0.044 0.000 2.705 590 G HA2 0.083 4.043 3.960 -0.000 0.000 0.686 590 G HA3 0.083 4.043 3.960 -0.000 0.000 0.686 590 G C -0.478 174.387 174.900 -0.058 0.000 1.285 590 G CA -0.546 44.525 45.100 -0.049 0.000 0.800 590 G HN 1.063 nan 8.290 nan 0.000 0.611 591 A N 0.706 123.485 122.820 -0.069 0.000 2.280 591 A HA 0.834 5.154 4.320 -0.000 0.000 0.268 591 A C 1.197 178.731 177.584 -0.084 0.000 1.111 591 A CA 0.315 52.301 52.037 -0.086 0.000 0.814 591 A CB 0.391 19.326 19.000 -0.107 0.000 1.093 591 A HN 2.086 nan 8.150 nan 0.000 0.498 592 V N 0.090 119.944 119.914 -0.101 0.000 3.287 592 V HA 0.345 4.465 4.120 -0.000 0.000 0.306 592 V C 1.336 177.378 176.094 -0.087 0.000 1.103 592 V CA 0.019 62.262 62.300 -0.095 0.000 1.159 592 V CB -0.033 31.721 31.823 -0.115 0.000 1.036 592 V HN 1.172 nan 8.190 nan 0.000 0.487 593 A N 2.064 124.841 122.820 -0.072 0.000 2.325 593 A HA 0.548 4.868 4.320 -0.000 0.000 0.260 593 A C 1.018 178.565 177.584 -0.061 0.000 1.133 593 A CA 0.255 52.257 52.037 -0.058 0.000 0.801 593 A CB -0.566 18.406 19.000 -0.046 0.000 1.092 593 A HN 1.333 nan 8.150 nan 0.000 0.504 594 G N -1.682 107.091 108.800 -0.045 0.000 2.664 594 G HA2 0.422 4.382 3.960 -0.000 0.000 0.242 594 G HA3 0.422 4.382 3.960 -0.000 0.000 0.242 594 G C -0.051 174.830 174.900 -0.031 0.000 1.225 594 G CA 0.862 45.940 45.100 -0.037 0.000 0.849 594 G HN 1.356 nan 8.290 nan 0.000 0.581 595 E N -0.581 119.610 120.200 -0.015 0.000 6.993 595 E HA -0.126 4.224 4.350 -0.000 0.000 0.276 595 E C -2.329 174.268 176.600 -0.007 0.000 1.113 595 E CA 0.148 56.549 56.400 0.002 0.000 1.400 595 E CB -0.683 29.017 29.700 -0.000 0.000 0.936 595 E HN 0.400 nan 8.360 nan 0.000 0.285 596 P HA 0.187 nan 4.420 nan 0.000 0.274 596 P C -0.534 176.768 177.300 0.004 0.000 1.237 596 P CA -0.401 62.712 63.100 0.021 0.000 0.793 596 P CB 0.562 32.356 31.700 0.155 0.000 0.977 597 R N 1.749 122.203 120.500 -0.077 0.000 2.340 597 R HA 0.129 4.469 4.340 -0.000 0.000 0.300 597 R C -0.052 176.301 176.300 0.088 0.000 1.069 597 R CA -0.182 55.868 56.100 -0.082 0.000 0.984 597 R CB 0.333 30.436 30.300 -0.330 0.000 1.003 597 R HN 0.501 nan 8.270 nan 0.000 0.459 598 Q N 3.918 123.795 119.800 0.128 0.000 2.293 598 Q HA 0.203 4.543 4.340 -0.000 0.000 0.251 598 Q C -0.178 175.964 176.000 0.237 0.000 0.930 598 Q CA -0.313 55.590 55.803 0.167 0.000 0.893 598 Q CB 1.477 30.272 28.738 0.095 0.000 1.215 598 Q HN 0.539 nan 8.270 nan 0.000 0.425 599 I N 5.107 125.797 120.570 0.200 0.000 2.494 599 I HA 0.067 4.237 4.170 -0.000 0.000 0.289 599 I C -1.667 174.484 176.117 0.057 0.000 1.106 599 I CA -1.568 59.795 61.300 0.105 0.000 1.369 599 I CB -0.068 37.944 38.000 0.019 0.000 1.410 599 I HN 0.340 nan 8.210 nan 0.000 0.523 600 P HA 0.142 nan 4.420 nan 0.000 0.271 600 P C -1.046 176.250 177.300 -0.006 0.000 1.216 600 P CA -0.409 62.708 63.100 0.027 0.000 0.776 600 P CB 0.766 32.489 31.700 0.038 0.000 0.881 601 K N 2.980 123.368 120.400 -0.020 0.000 2.172 601 K HA 0.568 4.888 4.320 -0.000 0.000 0.276 601 K C 0.021 176.577 176.600 -0.073 0.000 1.013 601 K CA -0.621 55.642 56.287 -0.041 0.000 0.913 601 K CB 1.122 33.598 32.500 -0.040 0.000 1.055 601 K HN 0.460 nan 8.250 nan 0.000 0.461 602 I N 1.962 122.471 120.570 -0.102 0.000 2.608 602 I HA 0.148 4.318 4.170 -0.000 0.000 0.295 602 I C 0.302 176.286 176.117 -0.221 0.000 1.049 602 I CA -0.483 60.714 61.300 -0.173 0.000 1.063 602 I CB 2.142 40.015 38.000 -0.212 0.000 1.248 602 I HN 0.616 nan 8.210 nan 0.000 0.424 603 Q N 2.542 122.193 119.800 -0.247 0.000 2.103 603 Q HA 0.200 4.540 4.340 -0.000 0.000 0.219 603 Q C 0.969 176.829 176.000 -0.233 0.000 0.784 603 Q CA -0.238 55.415 55.803 -0.249 0.000 1.014 603 Q CB 0.769 29.384 28.738 -0.204 0.000 1.183 603 Q HN 0.583 nan 8.270 nan 0.000 0.469 604 N N 0.963 119.468 118.700 -0.325 0.000 2.022 604 N HA -0.080 4.660 4.740 -0.000 0.000 0.194 604 N C 0.213 175.613 175.510 -0.183 0.000 1.057 604 N CA 1.050 53.913 53.050 -0.312 0.000 0.849 604 N CB -0.187 38.019 38.487 -0.470 0.000 1.044 604 N HN 0.073 nan 8.380 nan 0.000 0.424 605 F N 1.503 121.462 119.950 0.015 0.000 2.623 605 F HA -0.061 4.466 4.527 -0.000 0.000 0.381 605 F C 1.451 177.253 175.800 0.004 0.000 1.081 605 F CA -0.194 57.835 58.000 0.049 0.000 1.293 605 F CB -0.614 38.495 39.000 0.182 0.000 1.006 605 F HN -0.028 nan 8.300 nan 0.000 0.578 606 T N 0.997 115.674 114.554 0.205 0.000 2.943 606 T HA 0.483 4.833 4.350 -0.000 0.000 0.284 606 T C 1.178 175.934 174.700 0.093 0.000 1.015 606 T CA -1.064 61.096 62.100 0.099 0.000 1.042 606 T CB 1.741 70.644 68.868 0.060 0.000 1.055 606 T HN 0.543 nan 8.240 nan 0.000 0.500 607 R N 0.848 121.388 120.500 0.067 0.000 2.109 607 R HA -0.028 4.312 4.340 -0.000 0.000 0.227 607 R C 0.737 177.064 176.300 0.046 0.000 1.132 607 R CA 1.226 57.367 56.100 0.067 0.000 0.907 607 R CB -1.359 28.979 30.300 0.064 0.000 0.825 607 R HN 0.672 nan 8.270 nan 0.000 0.432 608 T N 2.702 117.273 114.554 0.028 0.000 2.871 608 T HA 0.021 4.371 4.350 -0.000 0.000 0.296 608 T C 0.120 174.811 174.700 -0.015 0.000 0.998 608 T CA 0.383 62.487 62.100 0.006 0.000 1.162 608 T CB 0.627 69.497 68.868 0.003 0.000 0.947 608 T HN 0.090 nan 8.240 nan 0.000 0.536 609 Q N 2.024 121.798 119.800 -0.042 0.000 2.323 609 Q HA 0.313 4.653 4.340 -0.000 0.000 0.271 609 Q C 0.665 176.612 176.000 -0.087 0.000 1.048 609 Q CA -0.661 55.091 55.803 -0.086 0.000 0.792 609 Q CB 2.496 31.140 28.738 -0.157 0.000 1.280 609 Q HN 0.660 nan 8.270 nan 0.000 0.441 610 K N 1.115 121.464 120.400 -0.084 0.000 1.975 610 K HA -0.007 4.313 4.320 -0.000 0.000 0.210 610 K C 0.819 177.361 176.600 -0.096 0.000 1.041 610 K CA 1.202 57.444 56.287 -0.075 0.000 0.942 610 K CB 0.126 32.590 32.500 -0.060 0.000 0.729 610 K HN 0.692 nan 8.250 nan 0.000 0.439 611 S N -0.611 115.018 115.700 -0.117 0.000 2.713 611 S HA 0.117 4.587 4.470 -0.000 0.000 0.277 611 S C 0.051 174.535 174.600 -0.194 0.000 1.168 611 S CA -1.000 57.119 58.200 -0.135 0.000 0.994 611 S CB 1.384 64.511 63.200 -0.122 0.000 1.054 611 S HN 0.379 nan 8.310 nan 0.000 0.555 612 C N 2.127 121.307 119.300 -0.201 0.000 2.262 612 C HA 0.436 4.896 4.460 -0.000 0.000 0.413 612 C C 1.626 176.407 174.990 -0.349 0.000 1.019 612 C CA -0.861 58.004 59.018 -0.255 0.000 1.320 612 C CB -2.912 24.702 27.740 -0.210 0.000 1.657 612 C HN 0.763 nan 8.230 nan 0.000 0.510 613 I N 2.782 123.053 120.570 -0.497 0.000 2.072 613 I HA -0.069 4.101 4.170 -0.000 0.000 0.235 613 I C 0.762 176.508 176.117 -0.618 0.000 1.058 613 I CA 1.501 62.427 61.300 -0.622 0.000 1.320 613 I CB -0.457 36.922 38.000 -1.035 0.000 1.047 613 I HN 0.417 nan 8.210 nan 0.000 0.397 614 F N 0.838 120.609 119.950 -0.300 0.000 2.659 614 F HA 0.166 4.693 4.527 -0.000 0.000 0.360 614 F C 1.157 176.701 175.800 -0.427 0.000 1.218 614 F CA -0.724 57.097 58.000 -0.298 0.000 1.317 614 F CB -1.083 37.940 39.000 0.039 0.000 1.697 614 F HN 0.110 nan 8.300 nan 0.000 0.637 615 C N 0.710 119.668 119.300 -0.570 0.000 3.529 615 C HA 0.176 4.636 4.460 -0.000 0.000 0.288 615 C C 2.830 177.612 174.990 -0.347 0.000 1.353 615 C CA 1.232 60.011 59.018 -0.397 0.000 1.705 615 C CB -0.794 26.738 27.740 -0.348 0.000 2.156 615 C HN 0.826 nan 8.230 nan 0.000 0.555 616 G N 0.149 108.761 108.800 -0.314 0.000 3.094 616 G HA2 0.130 4.090 3.960 -0.000 0.000 0.208 616 G HA3 0.130 4.090 3.960 -0.000 0.000 0.208 616 G C 0.299 175.465 174.900 0.444 0.000 1.189 616 G CA 0.236 45.370 45.100 0.057 0.000 0.856 616 G HN 0.296 nan 8.290 nan 0.000 0.510 617 F N 0.201 120.261 119.950 0.182 0.000 2.377 617 F HA 0.800 5.327 4.527 -0.000 0.000 0.335 617 F C 0.517 176.478 175.800 0.270 0.000 1.099 617 F CA -2.305 55.834 58.000 0.231 0.000 1.072 617 F CB 0.997 40.106 39.000 0.180 0.000 1.417 617 F HN 0.061 nan 8.300 nan 0.000 0.495 618 A N 0.476 123.548 122.820 0.420 0.000 2.515 618 A HA 0.754 5.074 4.320 -0.000 0.000 0.298 618 A C -1.608 176.066 177.584 0.150 0.000 1.059 618 A CA -0.632 51.592 52.037 0.311 0.000 0.698 618 A CB 1.384 20.567 19.000 0.304 0.000 1.289 618 A HN 0.644 nan 8.150 nan 0.000 0.404 619 L N 1.296 122.612 121.223 0.154 0.000 2.325 619 L HA 0.680 5.020 4.340 -0.000 0.000 0.278 619 L C -1.144 175.816 176.870 0.151 0.000 1.023 619 L CA -0.887 54.045 54.840 0.154 0.000 0.811 619 L CB 1.774 43.960 42.059 0.212 0.000 1.249 619 L HN 0.630 nan 8.230 nan 0.000 0.431 620 L N 3.014 124.315 121.223 0.130 0.000 2.446 620 L HA 0.410 4.750 4.340 -0.000 0.000 0.268 620 L C -0.324 176.603 176.870 0.095 0.000 0.975 620 L CA -0.059 54.841 54.840 0.101 0.000 0.848 620 L CB 1.838 43.928 42.059 0.051 0.000 1.225 620 L HN 0.609 nan 8.230 nan 0.000 0.410 621 S N 3.616 119.319 115.700 0.005 0.000 2.489 621 S HA 0.796 5.266 4.470 -0.000 0.000 0.291 621 S C -0.759 173.767 174.600 -0.123 0.000 1.151 621 S CA -0.523 57.538 58.200 -0.232 0.000 1.082 621 S CB 1.212 64.092 63.200 -0.534 0.000 1.019 621 S HN 0.556 nan 8.310 nan 0.000 0.492 622 Y N -0.637 119.546 120.300 -0.194 0.000 2.477 622 Y HA 0.740 5.290 4.550 -0.000 0.000 0.347 622 Y C -0.873 174.936 175.900 -0.152 0.000 0.981 622 Y CA -1.365 56.659 58.100 -0.128 0.000 1.033 622 Y CB 0.830 39.260 38.460 -0.050 0.000 1.245 622 Y HN 0.628 nan 8.280 nan 0.000 0.455 623 D N 2.019 122.406 120.400 -0.021 0.000 2.255 623 D HA 0.165 4.805 4.640 -0.000 0.000 0.249 623 D C 0.781 177.104 176.300 0.038 0.000 1.078 623 D CA -0.173 53.755 54.000 -0.120 0.000 0.896 623 D CB 1.459 42.173 40.800 -0.143 0.000 1.194 623 D HN 0.825 nan 8.370 nan 0.000 0.429 624 E N 1.833 121.999 120.200 -0.056 0.000 2.058 624 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 624 E C 1.260 177.779 176.600 -0.134 0.000 0.997 624 E CA 1.369 57.780 56.400 0.019 0.000 0.801 624 E CB 0.281 29.926 29.700 -0.092 0.000 0.746 624 E HN 0.430 nan 8.360 nan 0.000 0.450 625 K N 0.219 120.414 120.400 -0.343 0.000 1.995 625 K HA -0.040 4.280 4.320 -0.000 0.000 0.207 625 K C 1.045 177.593 176.600 -0.087 0.000 1.041 625 K CA 0.738 56.850 56.287 -0.291 0.000 0.942 625 K CB -0.013 32.247 32.500 -0.399 0.000 0.731 625 K HN -0.044 nan 8.250 nan 0.000 0.439 626 E N -0.346 119.794 120.200 -0.100 0.000 2.620 626 E HA 0.146 4.496 4.350 -0.000 0.000 0.255 626 E C 0.641 177.240 176.600 -0.002 0.000 1.346 626 E CA 0.022 56.394 56.400 -0.048 0.000 1.013 626 E CB 0.280 29.939 29.700 -0.070 0.000 1.131 626 E HN 0.253 nan 8.360 nan 0.000 0.608 627 G N -0.348 108.453 108.800 0.002 0.000 2.711 627 G HA2 0.170 4.130 3.960 -0.000 0.000 0.186 627 G HA3 0.170 4.130 3.960 -0.000 0.000 0.186 627 G C -0.470 174.454 174.900 0.040 0.000 1.635 627 G CA -0.517 44.594 45.100 0.019 0.000 1.065 627 G HN 0.310 nan 8.290 nan 0.000 0.545 628 L N 0.746 121.989 121.223 0.034 0.000 2.305 628 L HA 0.268 4.608 4.340 -0.000 0.000 0.281 628 L C 1.198 178.071 176.870 0.006 0.000 1.085 628 L CA -0.668 54.201 54.840 0.049 0.000 0.813 628 L CB 1.358 43.442 42.059 0.042 0.000 1.157 628 L HN 0.479 nan 8.230 nan 0.000 0.436 629 E N 1.849 122.038 120.200 -0.019 0.000 2.025 629 E HA 0.045 4.395 4.350 -0.000 0.000 0.198 629 E C 0.541 177.111 176.600 -0.050 0.000 0.955 629 E CA 0.939 57.298 56.400 -0.068 0.000 0.862 629 E CB 0.121 29.736 29.700 -0.142 0.000 0.837 629 E HN 0.727 nan 8.360 nan 0.000 0.488 630 T N -1.680 112.846 114.554 -0.047 0.000 2.907 630 T HA 0.527 4.877 4.350 -0.000 0.000 0.292 630 T C -0.316 174.425 174.700 0.069 0.000 1.043 630 T CA -0.764 61.343 62.100 0.012 0.000 1.003 630 T CB 2.279 71.169 68.868 0.037 0.000 1.084 630 T HN 0.029 nan 8.240 nan 0.000 0.483 631 T N 1.064 115.670 114.554 0.087 0.000 2.887 631 T HA 0.707 5.057 4.350 -0.000 0.000 0.288 631 T C -1.115 173.671 174.700 0.142 0.000 1.021 631 T CA -0.325 61.842 62.100 0.110 0.000 1.000 631 T CB 1.479 70.385 68.868 0.065 0.000 1.034 631 T HN 0.892 nan 8.240 nan 0.000 0.467 632 T N 3.637 118.295 114.554 0.173 0.000 2.916 632 T HA 0.401 4.751 4.350 -0.000 0.000 0.298 632 T C -1.798 173.073 174.700 0.285 0.000 1.031 632 T CA -0.471 61.749 62.100 0.200 0.000 0.993 632 T CB 1.101 69.995 68.868 0.044 0.000 1.045 632 T HN 0.602 nan 8.240 nan 0.000 0.454 633 Y N 3.456 123.899 120.300 0.238 0.000 2.402 633 Y HA 0.532 5.082 4.550 -0.000 0.000 0.332 633 Y C -0.139 175.886 175.900 0.207 0.000 0.960 633 Y CA -1.183 57.053 58.100 0.228 0.000 1.228 633 Y CB 0.393 38.994 38.460 0.234 0.000 1.120 633 Y HN 0.596 nan 8.280 nan 0.000 0.491 634 I N 7.392 127.851 120.570 -0.185 0.000 2.455 634 I HA -0.060 4.110 4.170 -0.000 0.000 0.303 634 I C 1.443 177.260 176.117 -0.500 0.000 1.180 634 I CA 0.288 61.419 61.300 -0.281 0.000 1.469 634 I CB 0.146 38.063 38.000 -0.138 0.000 1.480 634 I HN 0.794 nan 8.210 nan 0.000 0.669 635 T N 1.666 115.938 114.554 -0.469 0.000 2.622 635 T HA -0.126 4.224 4.350 -0.000 0.000 0.266 635 T C 0.937 175.476 174.700 -0.269 0.000 1.047 635 T CA 1.302 63.176 62.100 -0.376 0.000 1.159 635 T CB -0.127 68.622 68.868 -0.198 0.000 0.863 635 T HN 0.621 nan 8.240 nan 0.000 0.422 636 S N -0.638 114.923 115.700 -0.231 0.000 2.806 636 S HA 0.539 5.009 4.470 -0.000 0.000 0.306 636 S C 0.752 175.252 174.600 -0.167 0.000 1.167 636 S CA -0.440 57.657 58.200 -0.172 0.000 0.847 636 S CB 1.816 64.943 63.200 -0.122 0.000 1.216 636 S HN 0.218 nan 8.310 nan 0.000 0.532 637 Q N 1.479 121.197 119.800 -0.137 0.000 2.014 637 Q HA -0.231 4.109 4.340 -0.000 0.000 0.207 637 Q C 1.941 177.870 176.000 -0.117 0.000 0.993 637 Q CA 2.943 58.670 55.803 -0.126 0.000 0.850 637 Q CB -0.899 27.776 28.738 -0.105 0.000 0.916 637 Q HN 0.902 nan 8.270 nan 0.000 0.417 638 E N -1.038 119.096 120.200 -0.109 0.000 2.114 638 E HA -0.239 4.111 4.350 -0.000 0.000 0.199 638 E C 1.831 178.356 176.600 -0.125 0.000 1.008 638 E CA 1.938 58.275 56.400 -0.105 0.000 0.810 638 E CB -0.611 29.029 29.700 -0.099 0.000 0.739 638 E HN 0.286 nan 8.360 nan 0.000 0.456 639 V N 1.381 121.196 119.914 -0.166 0.000 2.307 639 V HA -0.301 3.819 4.120 -0.000 0.000 0.245 639 V C 2.757 178.760 176.094 -0.151 0.000 1.045 639 V CA 2.229 64.407 62.300 -0.203 0.000 1.024 639 V CB -0.932 30.708 31.823 -0.306 0.000 0.651 639 V HN 0.341 nan 8.190 nan 0.000 0.449 640 Q N 0.286 120.011 119.800 -0.124 0.000 2.135 640 Q HA -0.240 4.100 4.340 -0.000 0.000 0.204 640 Q C 2.136 178.118 176.000 -0.030 0.000 0.981 640 Q CA 1.962 57.729 55.803 -0.059 0.000 0.856 640 Q CB -0.132 28.563 28.738 -0.072 0.000 0.902 640 Q HN 0.693 nan 8.270 nan 0.000 0.425 641 N N 0.259 118.926 118.700 -0.054 0.000 2.142 641 N HA -0.106 4.634 4.740 -0.000 0.000 0.186 641 N C 1.644 177.141 175.510 -0.021 0.000 1.023 641 N CA 1.499 54.529 53.050 -0.032 0.000 0.852 641 N CB -0.182 38.277 38.487 -0.047 0.000 0.998 641 N HN 0.302 nan 8.380 nan 0.000 0.424 642 S N -0.026 115.644 115.700 -0.051 0.000 2.803 642 S HA 0.148 4.618 4.470 -0.000 0.000 0.226 642 S C 1.502 176.078 174.600 -0.040 0.000 0.962 642 S CA 0.179 58.351 58.200 -0.046 0.000 0.968 642 S CB -0.387 62.767 63.200 -0.076 0.000 0.786 642 S HN 0.255 nan 8.310 nan 0.000 0.527 643 I N -0.851 119.705 120.570 -0.023 0.000 4.228 643 I HA 0.184 4.354 4.170 -0.000 0.000 0.298 643 I C 1.608 177.821 176.117 0.159 0.000 1.206 643 I CA 0.130 61.413 61.300 -0.028 0.000 1.322 643 I CB 0.079 37.978 38.000 -0.169 0.000 1.411 643 I HN 0.201 nan 8.210 nan 0.000 0.454 644 L N 0.852 122.186 121.223 0.186 0.000 2.313 644 L HA -0.023 4.317 4.340 -0.000 0.000 0.214 644 L C 2.577 179.540 176.870 0.154 0.000 1.119 644 L CA 1.170 56.156 54.840 0.243 0.000 0.809 644 L CB -0.485 41.682 42.059 0.180 0.000 0.933 644 L HN 0.310 nan 8.230 nan 0.000 0.449 645 S N -0.849 114.909 115.700 0.096 0.000 2.387 645 S HA -0.015 4.455 4.470 -0.000 0.000 0.221 645 S C 1.367 176.006 174.600 0.065 0.000 1.041 645 S CA 0.226 58.463 58.200 0.062 0.000 0.959 645 S CB -0.479 62.739 63.200 0.030 0.000 0.843 645 S HN 0.433 nan 8.310 nan 0.000 0.488 646 S N 2.354 118.095 115.700 0.068 0.000 2.617 646 S HA 0.255 4.725 4.470 -0.000 0.000 0.255 646 S C 0.283 174.931 174.600 0.080 0.000 1.318 646 S CA -0.613 57.625 58.200 0.064 0.000 0.978 646 S CB -0.199 63.039 63.200 0.063 0.000 0.961 646 S HN 0.419 nan 8.310 nan 0.000 0.582 647 N N 0.365 119.095 118.700 0.050 0.000 2.597 647 N HA 0.092 4.832 4.740 -0.000 0.000 0.269 647 N C 0.198 175.697 175.510 -0.019 0.000 1.204 647 N CA -0.010 53.046 53.050 0.011 0.000 0.947 647 N CB -0.369 38.106 38.487 -0.020 0.000 1.258 647 N HN 0.703 nan 8.380 nan 0.000 0.508 648 Y N 0.552 120.776 120.300 -0.125 0.000 2.274 648 Y HA -0.057 4.493 4.550 -0.000 0.000 0.290 648 Y C -0.016 175.607 175.900 -0.462 0.000 1.145 648 Y CA 1.155 59.095 58.100 -0.266 0.000 1.203 648 Y CB -0.007 38.241 38.460 -0.353 0.000 0.984 648 Y HN -0.090 nan 8.280 nan 0.000 0.533 649 F N 0.433 120.158 119.950 -0.374 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 -0.821 0.000 1.084 649 F CA -0.738 56.678 58.000 -0.973 0.000 1.053 649 F CB 1.119 39.453 39.000 -1.109 0.000 1.209 649 F HN -0.179 nan 8.300 nan 0.000 0.502 650 D N 1.530 121.516 120.400 -0.690 0.000 2.934 650 D HA 0.152 4.792 4.640 -0.000 0.000 0.249 650 D C -0.068 176.123 176.300 -0.182 0.000 1.293 650 D CA -0.235 53.556 54.000 -0.348 0.000 0.812 650 D CB -0.306 40.428 40.800 -0.110 0.000 1.439 650 D HN 0.174 nan 8.370 nan 0.000 0.555 651 F N 0.106 120.087 119.950 0.051 0.000 2.451 651 F HA 0.078 4.605 4.527 -0.000 0.000 0.299 651 F C 1.672 177.491 175.800 0.032 0.000 1.101 651 F CA 0.300 58.339 58.000 0.064 0.000 1.436 651 F CB -0.137 38.870 39.000 0.011 0.000 1.074 651 F HN 0.201 nan 8.300 nan 0.000 0.553 652 D N 0.704 121.171 120.400 0.112 0.000 2.663 652 D HA -0.023 4.617 4.640 -0.000 0.000 0.243 652 D C 0.047 176.351 176.300 0.005 0.000 1.218 652 D CA 0.372 54.405 54.000 0.055 0.000 0.846 652 D CB -0.492 40.324 40.800 0.026 0.000 1.014 652 D HN 0.166 nan 8.370 nan 0.000 0.476 653 N N 1.454 120.157 118.700 0.006 0.000 2.594 653 N HA 0.007 4.747 4.740 -0.000 0.000 0.280 653 N C 0.836 176.277 175.510 -0.116 0.000 1.156 653 N CA -0.433 52.580 53.050 -0.062 0.000 0.831 653 N CB 1.024 39.480 38.487 -0.052 0.000 1.379 653 N HN -0.140 nan 8.380 nan 0.000 0.536 654 L N 2.360 123.471 121.223 -0.186 0.000 2.191 654 L HA -0.113 4.227 4.340 -0.000 0.000 0.212 654 L C 1.734 178.400 176.870 -0.341 0.000 1.103 654 L CA 1.300 56.008 54.840 -0.219 0.000 0.769 654 L CB -0.875 41.053 42.059 -0.218 0.000 0.908 654 L HN 0.597 nan 8.230 nan 0.000 0.438 655 H N -0.832 118.079 119.070 -0.265 0.000 2.389 655 H HA 0.075 4.631 4.556 -0.000 0.000 0.299 655 H C 0.571 175.591 175.328 -0.513 0.000 1.081 655 H CA 0.345 56.188 56.048 -0.341 0.000 1.345 655 H CB -0.010 29.598 29.762 -0.257 0.000 1.393 655 H HN 0.041 nan 8.280 nan 0.000 0.520 656 V N 2.432 122.112 119.914 -0.391 0.000 2.481 656 V HA 0.175 4.295 4.120 -0.000 0.000 0.286 656 V C 0.134 175.784 176.094 -0.740 0.000 1.042 656 V CA -0.571 61.392 62.300 -0.563 0.000 0.928 656 V CB 1.879 33.440 31.823 -0.435 0.000 0.986 656 V HN 0.339 nan 8.190 nan 0.000 0.462 657 H N 2.703 121.345 119.070 -0.713 0.000 2.679 657 H HA 0.549 5.105 4.556 -0.000 0.000 0.367 657 H C -1.549 173.381 175.328 -0.663 0.000 1.162 657 H CA -0.600 55.106 56.048 -0.570 0.000 1.181 657 H CB 1.921 31.213 29.762 -0.784 0.000 1.693 657 H HN 0.571 nan 8.280 nan 0.000 0.538 658 Y N 1.337 121.697 120.300 0.101 0.000 2.326 658 Y HA 0.276 4.826 4.550 -0.000 0.000 0.331 658 Y C -0.461 175.539 175.900 0.167 0.000 0.962 658 Y CA -0.744 57.454 58.100 0.163 0.000 1.167 658 Y CB 1.241 39.942 38.460 0.402 0.000 1.148 658 Y HN 0.242 nan 8.280 nan 0.000 0.463 659 L N 3.911 125.273 121.223 0.233 0.000 2.334 659 L HA 0.575 4.915 4.340 -0.000 0.000 0.270 659 L C -1.037 175.873 176.870 0.068 0.000 1.018 659 L CA -0.880 54.036 54.840 0.126 0.000 0.811 659 L CB 1.628 43.737 42.059 0.082 0.000 1.271 659 L HN 0.520 nan 8.230 nan 0.000 0.443 660 L N 2.998 124.196 121.223 -0.042 0.000 2.372 660 L HA 0.553 4.893 4.340 -0.000 0.000 0.274 660 L C -1.376 175.351 176.870 -0.239 0.000 0.988 660 L CA -0.160 54.616 54.840 -0.107 0.000 0.833 660 L CB 1.219 43.197 42.059 -0.135 0.000 1.236 660 L HN 0.357 nan 8.230 nan 0.000 0.410 661 L N 4.793 125.833 121.223 -0.305 0.000 2.272 661 L HA 0.586 4.926 4.340 -0.000 0.000 0.289 661 L C 0.659 177.367 176.870 -0.269 0.000 1.032 661 L CA -0.521 53.985 54.840 -0.556 0.000 0.810 661 L CB 1.412 42.781 42.059 -1.149 0.000 1.205 661 L HN 0.716 nan 8.230 nan 0.000 0.422 662 T N -2.516 111.863 114.554 -0.293 0.000 2.884 662 T HA 0.184 4.534 4.350 -0.000 0.000 0.277 662 T C 1.333 176.056 174.700 0.039 0.000 0.976 662 T CA 0.007 61.686 62.100 -0.703 0.000 0.956 662 T CB 1.295 69.546 68.868 -1.028 0.000 1.113 662 T HN 0.687 nan 8.240 nan 0.000 0.554 663 T N -0.888 113.776 114.554 0.184 0.000 2.929 663 T HA -0.023 4.327 4.350 -0.000 0.000 0.271 663 T C 0.682 175.498 174.700 0.193 0.000 1.085 663 T CA 0.345 62.646 62.100 0.334 0.000 1.125 663 T CB -0.665 68.451 68.868 0.414 0.000 0.874 663 T HN 0.605 nan 8.240 nan 0.000 0.494 664 N N 1.335 120.115 118.700 0.133 0.000 2.489 664 N HA 0.404 5.144 4.740 -0.000 0.000 0.284 664 N C 0.959 176.557 175.510 0.147 0.000 1.158 664 N CA -0.245 52.870 53.050 0.109 0.000 0.965 664 N CB 0.942 39.487 38.487 0.097 0.000 1.195 664 N HN 0.290 nan 8.380 nan 0.000 0.506 665 G N -0.167 108.690 108.800 0.095 0.000 3.229 665 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.214 665 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.214 665 G C 0.451 175.573 174.900 0.370 0.000 1.256 665 G CA 0.210 45.382 45.100 0.120 0.000 1.042 665 G HN 0.645 nan 8.290 nan 0.000 0.497 666 T N -2.523 112.223 114.554 0.319 0.000 2.907 666 T HA 0.657 5.007 4.350 -0.000 0.000 0.284 666 T C -0.526 174.203 174.700 0.048 0.000 1.004 666 T CA -0.785 61.474 62.100 0.265 0.000 1.063 666 T CB 2.581 71.535 68.868 0.143 0.000 0.992 666 T HN -0.040 nan 8.240 nan 0.000 0.483 667 V N 3.921 123.650 119.914 -0.308 0.000 2.876 667 V HA 0.750 4.870 4.120 -0.000 0.000 0.312 667 V C -0.223 175.655 176.094 -0.360 0.000 1.085 667 V CA -1.042 60.947 62.300 -0.519 0.000 0.945 667 V CB 1.781 33.031 31.823 -0.955 0.000 1.017 667 V HN 1.161 nan 8.190 nan 0.000 0.428 668 M N 1.252 120.728 119.600 -0.208 0.000 2.465 668 M HA 0.691 5.171 4.480 -0.000 0.000 0.284 668 M C -1.062 175.221 176.300 -0.030 0.000 1.212 668 M CA -0.617 54.631 55.300 -0.088 0.000 0.910 668 M CB 2.479 35.069 32.600 -0.017 0.000 1.725 668 M HN 0.621 nan 8.290 nan 0.000 0.477 669 E N 1.900 122.100 120.200 0.001 0.000 2.283 669 E HA 0.712 5.062 4.350 -0.000 0.000 0.271 669 E C -1.617 175.016 176.600 0.055 0.000 1.031 669 E CA -0.657 55.776 56.400 0.055 0.000 0.868 669 E CB 1.553 31.272 29.700 0.032 0.000 1.094 669 E HN 0.698 nan 8.360 nan 0.000 0.401 670 I N 1.985 122.633 120.570 0.129 0.000 2.603 670 I HA 0.502 4.672 4.170 -0.000 0.000 0.300 670 I C 0.089 176.132 176.117 -0.124 0.000 1.017 670 I CA -0.494 60.817 61.300 0.020 0.000 1.098 670 I CB 1.986 40.032 38.000 0.077 0.000 1.279 670 I HN 0.685 nan 8.210 nan 0.000 0.437 671 A N 3.439 125.897 122.820 -0.603 0.000 2.449 671 A HA 0.485 4.805 4.320 -0.000 0.000 0.238 671 A C 0.208 176.945 177.584 -1.411 0.000 1.009 671 A CA 0.042 51.366 52.037 -1.188 0.000 1.136 671 A CB -0.200 18.554 19.000 -0.410 0.000 1.152 671 A HN 0.781 nan 8.150 nan 0.000 0.469 672 G N 0.000 108.164 108.800 -1.061 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 44.763 45.100 -0.562 0.000 0.502 672 G HN 0.000 nan 8.290 nan 0.000 0.925