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 3fhq_1_B DATA FIRST_RESID 2 DATA SEQUENCE TYNGPLSSHW FPEELAQWEP DSDPDAPFNR SHVPLEPGRV ADRVNANADK DATA SEQUENCE DAHLVSLSAL NRHTSGVPSQ GAPVFYENTF SYWHYTDLMV YWAGSAGEGI DATA SEQUENCE IVPPSADVID ASHRNGVPIL GNVFFPPTVY GGQLEWLEQM LEQEEDGSFP DATA SEQUENCE LADKLLEVAD YYGFDGWFIN QETEGADEGT AEAMQAFLVY LQEQKPEGMH DATA SEQUENCE IMWYDSMIDT GAIAWQNHLT DRNKMYLQNG STRVADSMFL NFWWRDQRQS DATA SEQUENCE NELAQALGRS PYDLYAGVDV EARGTSTPVQ WEGLFPEGEK AHTSLGLYRP DATA SEQUENCE DWAFQSSETM EAFYEKELQF WVGSTGNPAE TDGQSNWPGM AHWFPAKSTA DATA SEQUENCE TSVPFVTHFN TGSGAQFSAE GKTVSEQEWN NRSLQDVLPT WRWIQHGGDL DATA SEQUENCE EATFSWEEAF EGGSSLQWHG SLAEGEHAQI ELYQTELPIS EGTSLTWTFK DATA SEQUENCE SEHDNDLNVG FRLDGXXDFR YVEGEQRESI NGWTQWTLPL DAFAGQTITG DATA SEQUENCE LAFAAEGNET GLAEFYTGQL AVGXXXEKPA APNVNVRQYD PDPSGIQLVW DATA SEQUENCE EXXXNVHHYR VYKETKHGKE LIGTSAGDRI YIEGLVXXXX XXXVRLHIEA DATA SEQUENCE LSETFVPSDA RMID 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.783 174.700 0.138 0.000 1.109 2 T CA 0.000 62.161 62.100 0.101 0.000 1.349 2 T CB 0.000 68.932 68.868 0.107 0.000 0.612 3 Y N 3.099 123.422 120.300 0.040 0.000 2.365 3 Y HA 0.617 5.166 4.550 -0.001 0.000 0.340 3 Y C 0.222 176.137 175.900 0.024 0.000 1.016 3 Y CA -0.167 57.960 58.100 0.044 0.000 1.196 3 Y CB 0.752 39.226 38.460 0.023 0.000 1.167 3 Y HN 0.178 nan 8.280 nan 0.000 0.509 4 N N 3.980 122.358 118.700 -0.537 0.000 2.338 4 N HA 0.223 4.962 4.740 -0.001 0.000 0.251 4 N C 0.171 175.210 175.510 -0.785 0.000 1.199 4 N CA 0.109 52.892 53.050 -0.445 0.000 0.879 4 N CB 0.888 39.304 38.487 -0.118 0.000 1.159 4 N HN 0.832 nan 8.380 nan 0.000 0.514 5 G N 0.305 107.969 108.800 -1.892 0.000 2.525 5 G HA2 0.407 4.367 3.960 -0.001 0.000 0.287 5 G HA3 0.407 4.367 3.960 -0.001 0.000 0.287 5 G C -2.593 171.662 174.900 -1.075 0.000 1.350 5 G CA -1.097 42.736 45.100 -2.112 0.000 1.039 5 G HN -0.037 nan 8.290 nan 0.000 0.513 6 P HA 0.272 nan 4.420 nan 0.000 0.269 6 P C -0.607 176.601 177.300 -0.152 0.000 1.209 6 P CA 0.102 62.858 63.100 -0.573 0.000 0.776 6 P CB 0.742 31.776 31.700 -1.110 0.000 0.876 7 L N 0.987 122.184 121.223 -0.044 0.000 2.370 7 L HA 0.387 4.727 4.340 -0.001 0.000 0.266 7 L C 0.625 177.467 176.870 -0.047 0.000 1.002 7 L CA -1.009 53.834 54.840 0.005 0.000 0.818 7 L CB 2.118 44.204 42.059 0.045 0.000 1.325 7 L HN 0.290 nan 8.230 nan 0.000 0.418 8 S N 0.761 116.417 115.700 -0.074 0.000 2.560 8 S HA 0.157 4.627 4.470 -0.001 0.000 0.284 8 S C 0.248 174.733 174.600 -0.192 0.000 1.327 8 S CA -0.405 57.703 58.200 -0.154 0.000 1.055 8 S CB 0.487 63.593 63.200 -0.158 0.000 0.868 8 S HN 0.592 nan 8.310 nan 0.000 0.506 9 S N 2.589 118.087 115.700 -0.337 0.000 2.624 9 S HA 0.498 4.967 4.470 -0.001 0.000 0.263 9 S C -0.689 173.424 174.600 -0.812 0.000 1.287 9 S CA -0.277 57.513 58.200 -0.683 0.000 0.990 9 S CB 0.352 63.075 63.200 -0.794 0.000 0.950 9 S HN 0.997 nan 8.310 nan 0.000 0.561 10 H N -2.431 115.954 119.070 -1.142 0.000 3.003 10 H HA 0.397 4.952 4.556 -0.001 0.000 0.288 10 H C -2.359 172.452 175.328 -0.862 0.000 1.152 10 H CA -0.849 54.700 56.048 -0.831 0.000 1.625 10 H CB -0.422 29.055 29.762 -0.475 0.000 2.121 10 H HN 0.527 nan 8.280 nan 0.000 0.483 11 W N 3.456 124.657 121.300 -0.165 0.000 3.032 11 W HA 0.519 5.178 4.660 -0.001 0.000 0.335 11 W C -1.109 175.178 176.519 -0.386 0.000 1.154 11 W CA -1.130 56.093 57.345 -0.204 0.000 1.204 11 W CB 1.601 30.973 29.460 -0.147 0.000 1.416 11 W HN 0.446 nan 8.180 nan 0.000 0.521 12 F N 1.997 121.991 119.950 0.073 0.000 2.378 12 F HA 0.236 4.763 4.527 -0.001 0.000 0.319 12 F C -1.054 174.736 175.800 -0.016 0.000 1.155 12 F CA -1.860 56.048 58.000 -0.152 0.000 1.157 12 F CB -0.172 38.675 39.000 -0.254 0.000 1.252 12 F HN 0.021 nan 8.300 nan 0.000 0.550 13 P HA -0.173 nan 4.420 nan 0.000 0.216 13 P C 1.185 178.570 177.300 0.142 0.000 1.150 13 P CA 1.476 64.662 63.100 0.143 0.000 0.843 13 P CB 0.231 32.061 31.700 0.216 0.000 0.787 14 E N -0.475 119.836 120.200 0.184 0.000 2.285 14 E HA -0.116 4.233 4.350 -0.001 0.000 0.194 14 E C 1.770 178.454 176.600 0.140 0.000 0.997 14 E CA 0.840 57.330 56.400 0.150 0.000 0.845 14 E CB -0.305 29.487 29.700 0.153 0.000 0.782 14 E HN 0.466 nan 8.360 nan 0.000 0.491 15 E N 0.304 120.619 120.200 0.191 0.000 2.112 15 E HA -0.117 4.232 4.350 -0.001 0.000 0.190 15 E C 1.967 178.606 176.600 0.065 0.000 0.979 15 E CA 0.282 56.810 56.400 0.214 0.000 0.814 15 E CB -0.026 29.899 29.700 0.375 0.000 0.762 15 E HN 0.030 nan 8.360 nan 0.000 0.460 16 L N 1.404 122.565 121.223 -0.103 0.000 2.017 16 L HA -0.109 4.231 4.340 -0.001 0.000 0.208 16 L C 2.260 179.016 176.870 -0.190 0.000 1.073 16 L CA 1.996 56.551 54.840 -0.476 0.000 0.745 16 L CB -0.882 40.925 42.059 -0.421 0.000 0.894 16 L HN 0.065 nan 8.230 nan 0.000 0.432 17 A N -0.351 122.436 122.820 -0.055 0.000 1.903 17 A HA -0.290 4.030 4.320 -0.001 0.000 0.219 17 A C 1.895 179.487 177.584 0.013 0.000 1.191 17 A CA 2.193 54.230 52.037 -0.001 0.000 0.638 17 A CB -0.765 18.258 19.000 0.038 0.000 0.823 17 A HN 0.776 nan 8.150 nan 0.000 0.451 18 Q N -2.462 117.360 119.800 0.037 0.000 2.212 18 Q HA 0.156 4.496 4.340 -0.001 0.000 0.213 18 Q C -0.061 175.978 176.000 0.064 0.000 0.874 18 Q CA -0.512 55.315 55.803 0.041 0.000 0.965 18 Q CB -0.263 28.505 28.738 0.050 0.000 1.074 18 Q HN 0.716 nan 8.270 nan 0.000 0.473 19 W N 2.203 123.410 121.300 -0.155 0.000 2.351 19 W HA 0.326 4.985 4.660 -0.001 0.000 0.311 19 W C -0.662 175.752 176.519 -0.176 0.000 1.168 19 W CA -0.158 57.087 57.345 -0.167 0.000 1.200 19 W CB 1.039 30.302 29.460 -0.329 0.000 1.221 19 W HN -0.102 nan 8.180 nan 0.000 0.519 20 E N 6.399 126.050 120.200 -0.915 0.000 2.290 20 E HA 0.198 4.548 4.350 -0.001 0.000 0.274 20 E C -1.961 173.754 176.600 -1.476 0.000 0.889 20 E CA -2.163 53.575 56.400 -1.104 0.000 0.760 20 E CB 2.094 31.480 29.700 -0.522 0.000 1.206 20 E HN 0.180 nan 8.360 nan 0.000 0.419 21 P HA -0.141 nan 4.420 nan 0.000 0.216 21 P C 0.522 177.514 177.300 -0.513 0.000 1.153 21 P CA 1.129 63.549 63.100 -1.133 0.000 0.858 21 P CB 0.422 31.254 31.700 -1.447 0.000 0.789 22 D N -1.121 119.029 120.400 -0.416 0.000 2.271 22 D HA -0.115 4.525 4.640 -0.001 0.000 0.207 22 D C 1.734 177.944 176.300 -0.149 0.000 0.983 22 D CA 1.595 55.475 54.000 -0.200 0.000 0.878 22 D CB -0.450 40.252 40.800 -0.164 0.000 0.920 22 D HN 0.293 nan 8.370 nan 0.000 0.479 23 S N -1.192 114.383 115.700 -0.207 0.000 2.523 23 S HA 0.009 4.478 4.470 -0.001 0.000 0.217 23 S C 0.480 175.046 174.600 -0.057 0.000 0.996 23 S CA -0.519 57.609 58.200 -0.121 0.000 0.921 23 S CB 0.635 63.755 63.200 -0.134 0.000 0.829 23 S HN -0.087 nan 8.310 nan 0.000 0.495 24 D N 2.976 123.344 120.400 -0.053 0.000 2.313 24 D HA 0.378 5.017 4.640 -0.001 0.000 0.239 24 D C -1.878 174.535 176.300 0.188 0.000 1.142 24 D CA -2.275 51.799 54.000 0.124 0.000 0.847 24 D CB 1.807 42.786 40.800 0.298 0.000 1.082 24 D HN -0.006 nan 8.370 nan 0.000 0.480 25 P HA -0.053 nan 4.420 nan 0.000 0.220 25 P C 0.318 177.900 177.300 0.470 0.000 1.148 25 P CA 0.812 64.063 63.100 0.252 0.000 0.803 25 P CB 0.486 32.248 31.700 0.103 0.000 0.782 26 D N -1.237 119.421 120.400 0.430 0.000 2.327 26 D HA 0.092 4.731 4.640 -0.001 0.000 0.205 26 D C 1.999 178.614 176.300 0.525 0.000 0.989 26 D CA 0.662 54.950 54.000 0.480 0.000 0.873 26 D CB -0.722 40.243 40.800 0.275 0.000 0.955 26 D HN -0.020 nan 8.370 nan 0.000 0.515 27 A N 1.817 124.968 122.820 0.552 0.000 1.958 27 A HA -0.169 4.150 4.320 -0.001 0.000 0.221 27 A C -0.318 177.669 177.584 0.670 0.000 1.178 27 A CA 1.513 54.006 52.037 0.760 0.000 0.642 27 A CB -1.449 17.962 19.000 0.686 0.000 0.816 27 A HN 0.218 nan 8.150 nan 0.000 0.453 28 P HA -0.007 nan 4.420 nan 0.000 0.222 28 P C 0.839 178.126 177.300 -0.022 0.000 1.153 28 P CA 0.639 63.830 63.100 0.151 0.000 0.798 28 P CB -0.147 31.498 31.700 -0.091 0.000 0.796 29 F N -0.459 119.552 119.950 0.101 0.000 2.407 29 F HA -0.006 4.520 4.527 -0.001 0.000 0.299 29 F C 1.710 177.487 175.800 -0.038 0.000 1.097 29 F CA 0.866 58.873 58.000 0.012 0.000 1.422 29 F CB -0.725 38.255 39.000 -0.032 0.000 1.067 29 F HN -0.058 nan 8.300 nan 0.000 0.539 30 N N 0.226 118.968 118.700 0.069 0.000 2.280 30 N HA 0.051 4.790 4.740 -0.001 0.000 0.192 30 N C -0.063 175.220 175.510 -0.379 0.000 1.109 30 N CA 0.090 52.956 53.050 -0.307 0.000 0.855 30 N CB 0.093 38.140 38.487 -0.733 0.000 0.974 30 N HN 0.206 nan 8.380 nan 0.000 0.482 31 R N 0.979 121.447 120.500 -0.053 0.000 2.347 31 R HA 0.152 4.491 4.340 -0.001 0.000 0.304 31 R C 0.429 176.660 176.300 -0.115 0.000 1.072 31 R CA -0.087 55.978 56.100 -0.058 0.000 0.980 31 R CB 0.694 30.860 30.300 -0.223 0.000 0.986 31 R HN -0.092 nan 8.270 nan 0.000 0.448 32 S N 1.648 117.284 115.700 -0.107 0.000 2.549 32 S HA 0.013 4.482 4.470 -0.001 0.000 0.279 32 S C 0.028 174.506 174.600 -0.204 0.000 1.321 32 S CA -0.390 57.761 58.200 -0.082 0.000 1.054 32 S CB 0.299 63.462 63.200 -0.061 0.000 0.899 32 S HN 0.648 nan 8.310 nan 0.000 0.497 33 H N 2.409 121.488 119.070 0.015 0.000 2.475 33 H HA 0.398 4.953 4.556 -0.001 0.000 0.276 33 H C -0.834 174.522 175.328 0.047 0.000 1.126 33 H CA -0.144 55.923 56.048 0.032 0.000 1.023 33 H CB 0.527 30.313 29.762 0.040 0.000 1.669 33 H HN 0.277 nan 8.280 nan 0.000 0.573 34 V N 2.537 122.527 119.914 0.127 0.000 2.357 34 V HA 0.279 4.398 4.120 -0.001 0.000 0.281 34 V C -2.343 173.873 176.094 0.203 0.000 1.015 34 V CA -2.053 60.322 62.300 0.125 0.000 0.827 34 V CB 1.613 33.483 31.823 0.078 0.000 1.018 34 V HN 0.140 nan 8.190 nan 0.000 0.432 35 P HA 0.129 nan 4.420 nan 0.000 0.272 35 P C -0.236 176.992 177.300 -0.120 0.000 1.223 35 P CA -0.499 62.619 63.100 0.030 0.000 0.784 35 P CB 0.587 32.285 31.700 -0.004 0.000 0.923 36 L N 2.754 123.651 121.223 -0.544 0.000 2.654 36 L HA -0.012 4.328 4.340 -0.001 0.000 0.271 36 L C 0.380 177.129 176.870 -0.203 0.000 1.169 36 L CA 0.655 55.131 54.840 -0.606 0.000 0.947 36 L CB -0.880 40.783 42.059 -0.658 0.000 1.232 36 L HN 0.259 nan 8.230 nan 0.000 0.486 37 E N 7.283 127.424 120.200 -0.099 0.000 2.415 37 E HA 0.128 4.478 4.350 -0.001 0.000 0.260 37 E C -2.154 174.423 176.600 -0.037 0.000 1.016 37 E CA -1.336 55.039 56.400 -0.042 0.000 0.924 37 E CB 0.142 29.835 29.700 -0.011 0.000 0.961 37 E HN 0.495 nan 8.360 nan 0.000 0.459 38 P HA 0.214 nan 4.420 nan 0.000 0.281 38 P C -0.171 177.129 177.300 0.000 0.000 1.249 38 P CA -0.372 62.721 63.100 -0.012 0.000 0.810 38 P CB 0.856 32.550 31.700 -0.009 0.000 1.008 39 G N 1.479 110.286 108.800 0.012 0.000 2.438 39 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.272 39 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.272 39 G C -0.238 174.667 174.900 0.009 0.000 0.991 39 G CA -0.480 44.629 45.100 0.015 0.000 1.348 39 G HN 0.579 nan 8.290 nan 0.000 0.483 40 R N -0.625 119.888 120.500 0.022 0.000 2.577 40 R HA 0.696 5.036 4.340 -0.001 0.000 0.269 40 R C 0.230 176.540 176.300 0.016 0.000 1.084 40 R CA -0.643 55.467 56.100 0.016 0.000 1.163 40 R CB 1.657 31.983 30.300 0.042 0.000 1.100 40 R HN 0.390 nan 8.270 nan 0.000 0.547 41 V N 0.857 120.769 119.914 -0.003 0.000 2.604 41 V HA 0.664 4.784 4.120 -0.001 0.000 0.305 41 V C -0.655 175.450 176.094 0.019 0.000 1.043 41 V CA -0.563 61.739 62.300 0.003 0.000 0.888 41 V CB 1.710 33.518 31.823 -0.025 0.000 0.995 41 V HN 0.933 nan 8.190 nan 0.000 0.429 42 A N 4.552 127.403 122.820 0.052 0.000 2.279 42 A HA 0.730 5.049 4.320 -0.001 0.000 0.303 42 A C -0.338 177.308 177.584 0.103 0.000 1.108 42 A CA -0.370 51.719 52.037 0.086 0.000 0.830 42 A CB 0.682 19.745 19.000 0.104 0.000 1.106 42 A HN 0.990 nan 8.150 nan 0.000 0.493 43 D N -0.803 119.695 120.400 0.162 0.000 2.440 43 D HA 0.466 5.105 4.640 -0.001 0.000 0.258 43 D C -0.008 176.415 176.300 0.204 0.000 1.092 43 D CA -0.662 53.492 54.000 0.257 0.000 1.016 43 D CB 0.840 41.922 40.800 0.469 0.000 1.141 43 D HN 0.442 nan 8.370 nan 0.000 0.552 44 R N -0.163 120.451 120.500 0.189 0.000 2.590 44 R HA 0.176 4.516 4.340 -0.001 0.000 0.410 44 R C 1.224 177.554 176.300 0.050 0.000 1.010 44 R CA 0.066 56.222 56.100 0.094 0.000 1.155 44 R CB 0.625 30.957 30.300 0.053 0.000 1.455 44 R HN 0.348 nan 8.270 nan 0.000 0.567 45 V N -1.823 118.129 119.914 0.063 0.000 3.041 45 V HA 0.079 4.199 4.120 -0.001 0.000 0.260 45 V C 0.630 176.699 176.094 -0.043 0.000 1.105 45 V CA 0.676 62.947 62.300 -0.048 0.000 1.125 45 V CB -0.229 31.475 31.823 -0.199 0.000 0.730 45 V HN 0.165 nan 8.190 nan 0.000 0.479 46 N N 0.595 119.287 118.700 -0.014 0.000 2.446 46 N HA 0.511 5.251 4.740 -0.001 0.000 0.265 46 N C 0.865 176.306 175.510 -0.116 0.000 0.975 46 N CA 0.504 53.509 53.050 -0.075 0.000 0.928 46 N CB 2.070 40.503 38.487 -0.089 0.000 1.160 46 N HN 0.257 nan 8.380 nan 0.000 0.495 47 A N 3.695 126.437 122.820 -0.130 0.000 2.015 47 A HA -0.115 4.205 4.320 -0.001 0.000 0.219 47 A C 1.753 179.231 177.584 -0.176 0.000 1.163 47 A CA 0.918 52.881 52.037 -0.124 0.000 0.646 47 A CB -0.316 18.623 19.000 -0.102 0.000 0.806 47 A HN 0.844 nan 8.150 nan 0.000 0.448 48 N N 0.143 118.672 118.700 -0.285 0.000 2.446 48 N HA 0.063 4.802 4.740 -0.001 0.000 0.179 48 N C 0.675 175.942 175.510 -0.405 0.000 1.054 48 N CA 0.536 53.346 53.050 -0.401 0.000 0.905 48 N CB -0.099 37.946 38.487 -0.737 0.000 0.973 48 N HN 0.392 nan 8.380 nan 0.000 0.448 49 A N 1.594 124.210 122.820 -0.339 0.000 2.440 49 A HA 0.140 4.459 4.320 -0.001 0.000 0.251 49 A C -0.067 177.399 177.584 -0.197 0.000 1.089 49 A CA -0.371 51.497 52.037 -0.283 0.000 0.779 49 A CB 0.242 19.148 19.000 -0.158 0.000 1.022 49 A HN 0.475 nan 8.150 nan 0.000 0.492 50 D N 1.076 121.340 120.400 -0.227 0.000 2.384 50 D HA 0.302 4.942 4.640 -0.001 0.000 0.250 50 D C 0.094 176.305 176.300 -0.148 0.000 1.029 50 D CA -0.657 53.238 54.000 -0.175 0.000 0.990 50 D CB 1.306 41.992 40.800 -0.190 0.000 1.175 50 D HN 0.554 nan 8.370 nan 0.000 0.532 51 K N -0.739 119.586 120.400 -0.127 0.000 2.358 51 K HA 0.151 4.470 4.320 -0.001 0.000 0.197 51 K C 0.178 176.658 176.600 -0.200 0.000 1.025 51 K CA -0.182 56.049 56.287 -0.094 0.000 1.104 51 K CB 0.602 33.075 32.500 -0.044 0.000 0.855 51 K HN 0.161 nan 8.250 nan 0.000 0.531 52 D N 2.203 122.394 120.400 -0.348 0.000 2.290 52 D HA 0.021 4.660 4.640 -0.001 0.000 0.224 52 D C 0.589 176.274 176.300 -1.025 0.000 0.967 52 D CA 0.513 54.096 54.000 -0.695 0.000 0.893 52 D CB -0.008 40.319 40.800 -0.789 0.000 1.037 52 D HN 0.292 nan 8.370 nan 0.000 0.477 53 A N 1.029 123.434 122.820 -0.691 0.000 2.477 53 A HA 0.208 4.528 4.320 -0.001 0.000 0.246 53 A C -0.343 177.273 177.584 0.053 0.000 1.078 53 A CA 0.204 52.062 52.037 -0.299 0.000 0.770 53 A CB -0.145 18.873 19.000 0.030 0.000 1.011 53 A HN 0.191 nan 8.150 nan 0.000 0.494 54 H N -0.134 119.164 119.070 0.380 0.000 2.570 54 H HA 0.741 5.296 4.556 -0.001 0.000 0.342 54 H C -0.633 175.014 175.328 0.532 0.000 1.245 54 H CA -0.648 55.689 56.048 0.482 0.000 1.318 54 H CB 1.497 31.528 29.762 0.449 0.000 1.694 54 H HN 0.608 nan 8.280 nan 0.000 0.592 55 L N 1.591 123.125 121.223 0.518 0.000 2.476 55 L HA 0.451 4.791 4.340 -0.001 0.000 0.269 55 L C -1.393 175.671 176.870 0.322 0.000 0.965 55 L CA -0.900 54.100 54.840 0.267 0.000 0.845 55 L CB 1.342 43.194 42.059 -0.345 0.000 1.259 55 L HN 0.525 nan 8.230 nan 0.000 0.403 56 V N 1.050 121.138 119.914 0.290 0.000 2.483 56 V HA 0.681 4.800 4.120 -0.001 0.000 0.295 56 V C -0.115 176.101 176.094 0.204 0.000 1.035 56 V CA -0.437 61.936 62.300 0.122 0.000 0.896 56 V CB 1.583 33.348 31.823 -0.097 0.000 0.986 56 V HN 0.736 nan 8.190 nan 0.000 0.447 57 S N 3.856 119.639 115.700 0.138 0.000 2.437 57 S HA 0.733 5.202 4.470 -0.001 0.000 0.305 57 S C -0.715 173.838 174.600 -0.079 0.000 1.109 57 S CA -0.493 57.749 58.200 0.069 0.000 1.099 57 S CB 0.765 63.980 63.200 0.024 0.000 1.004 57 S HN 0.640 nan 8.310 nan 0.000 0.475 58 L N 4.633 125.750 121.223 -0.177 0.000 2.270 58 L HA 0.464 4.804 4.340 -0.001 0.000 0.286 58 L C -0.130 176.486 176.870 -0.423 0.000 1.059 58 L CA 0.277 54.903 54.840 -0.357 0.000 0.839 58 L CB 0.735 42.392 42.059 -0.670 0.000 1.221 58 L HN 0.500 nan 8.230 nan 0.000 0.431 59 S N 1.732 117.244 115.700 -0.312 0.000 2.502 59 S HA 0.650 5.119 4.470 -0.001 0.000 0.304 59 S C 0.343 174.749 174.600 -0.323 0.000 1.097 59 S CA -0.738 57.239 58.200 -0.372 0.000 1.045 59 S CB 1.840 64.760 63.200 -0.466 0.000 1.019 59 S HN 0.564 nan 8.310 nan 0.000 0.481 60 A N 3.621 126.247 122.820 -0.324 0.000 3.048 60 A HA 0.277 4.596 4.320 -0.001 0.000 0.264 60 A C 1.159 178.480 177.584 -0.438 0.000 1.796 60 A CA -0.247 51.570 52.037 -0.367 0.000 1.445 60 A CB -1.111 17.729 19.000 -0.268 0.000 1.074 60 A HN 0.935 nan 8.150 nan 0.000 0.621 61 L N -0.277 120.671 121.223 -0.459 0.000 2.263 61 L HA -0.145 4.195 4.340 -0.001 0.000 0.216 61 L C 0.404 177.052 176.870 -0.370 0.000 1.111 61 L CA 0.800 55.426 54.840 -0.357 0.000 0.773 61 L CB -0.404 41.573 42.059 -0.137 0.000 0.906 61 L HN 0.538 nan 8.230 nan 0.000 0.439 62 N N -0.916 117.539 118.700 -0.407 0.000 2.296 62 N HA 0.164 4.904 4.740 -0.001 0.000 0.294 62 N C 0.516 175.816 175.510 -0.351 0.000 1.033 62 N CA -0.348 52.513 53.050 -0.316 0.000 0.839 62 N CB 1.991 40.386 38.487 -0.153 0.000 1.395 62 N HN -0.061 nan 8.380 nan 0.000 0.479 63 R N 0.805 121.105 120.500 -0.334 0.000 2.091 63 R HA -0.078 4.262 4.340 -0.001 0.000 0.238 63 R C -0.096 175.878 176.300 -0.543 0.000 1.136 63 R CA 1.414 57.256 56.100 -0.430 0.000 0.959 63 R CB 0.137 30.160 30.300 -0.461 0.000 0.856 63 R HN 0.558 nan 8.270 nan 0.000 0.437 64 H N -1.646 117.328 119.070 -0.159 0.000 2.573 64 H HA 0.155 4.711 4.556 -0.001 0.000 0.351 64 H C 0.680 175.888 175.328 -0.200 0.000 1.163 64 H CA -0.433 55.513 56.048 -0.170 0.000 1.205 64 H CB 2.215 31.899 29.762 -0.130 0.000 1.605 64 H HN -0.056 nan 8.280 nan 0.000 0.525 65 T N 1.158 115.649 114.554 -0.106 0.000 2.812 65 T HA -0.048 4.302 4.350 -0.001 0.000 0.264 65 T C 1.057 175.599 174.700 -0.263 0.000 1.042 65 T CA 1.206 63.177 62.100 -0.214 0.000 1.140 65 T CB 0.064 68.732 68.868 -0.333 0.000 0.870 65 T HN 0.651 nan 8.240 nan 0.000 0.445 66 S N -0.631 114.889 115.700 -0.300 0.000 2.722 66 S HA 0.572 5.041 4.470 -0.001 0.000 0.292 66 S C 1.195 175.751 174.600 -0.074 0.000 1.135 66 S CA -0.142 57.890 58.200 -0.280 0.000 1.003 66 S CB 1.391 64.374 63.200 -0.362 0.000 1.067 66 S HN 0.659 nan 8.310 nan 0.000 0.546 67 G N -0.572 108.232 108.800 0.008 0.000 2.153 67 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.252 67 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.252 67 G C -0.079 174.826 174.900 0.009 0.000 0.994 67 G CA 0.067 45.184 45.100 0.028 0.000 0.698 67 G HN 1.167 nan 8.290 nan 0.000 0.521 68 V N 1.976 121.889 119.914 -0.001 0.000 2.389 68 V HA 0.346 4.465 4.120 -0.001 0.000 0.264 68 V C -1.421 174.632 176.094 -0.068 0.000 1.049 68 V CA -1.508 60.766 62.300 -0.043 0.000 0.932 68 V CB 1.206 33.012 31.823 -0.029 0.000 1.011 68 V HN 0.120 nan 8.190 nan 0.000 0.475 69 P HA 0.097 nan 4.420 nan 0.000 0.266 69 P C 0.906 178.142 177.300 -0.108 0.000 1.195 69 P CA 0.303 63.269 63.100 -0.222 0.000 0.768 69 P CB 0.638 32.003 31.700 -0.559 0.000 0.838 70 S N 1.550 117.213 115.700 -0.061 0.000 2.383 70 S HA -0.188 4.281 4.470 -0.001 0.000 0.229 70 S C 0.938 175.529 174.600 -0.015 0.000 1.030 70 S CA 1.494 59.668 58.200 -0.042 0.000 1.002 70 S CB -0.325 62.879 63.200 0.006 0.000 0.829 70 S HN 0.608 nan 8.310 nan 0.000 0.467 71 Q N -0.313 119.494 119.800 0.011 0.000 2.144 71 Q HA 0.452 4.791 4.340 -0.001 0.000 0.305 71 Q C 0.061 176.097 176.000 0.061 0.000 0.876 71 Q CA -0.144 55.693 55.803 0.058 0.000 1.130 71 Q CB 1.277 30.088 28.738 0.122 0.000 1.267 71 Q HN 0.457 nan 8.270 nan 0.000 0.433 72 G N 0.379 109.192 108.800 0.022 0.000 2.541 72 G HA2 0.232 4.191 3.960 -0.001 0.000 0.686 72 G HA3 0.232 4.191 3.960 -0.001 0.000 0.686 72 G C -1.327 173.569 174.900 -0.007 0.000 1.286 72 G CA -0.564 44.567 45.100 0.052 0.000 0.894 72 G HN 0.485 nan 8.290 nan 0.000 0.575 73 A N -0.510 122.329 122.820 0.031 0.000 2.601 73 A HA 0.904 5.223 4.320 -0.001 0.000 0.291 73 A C -3.026 174.608 177.584 0.082 0.000 1.075 73 A CA -0.540 51.486 52.037 -0.018 0.000 0.671 73 A CB 1.869 20.801 19.000 -0.114 0.000 1.277 73 A HN 0.884 nan 8.150 nan 0.000 0.417 74 P HA 0.356 nan 4.420 nan 0.000 0.225 74 P C -0.964 176.402 177.300 0.110 0.000 1.768 74 P CA 0.222 63.403 63.100 0.135 0.000 0.943 74 P CB -0.117 31.649 31.700 0.110 0.000 1.936 75 V N 1.967 121.938 119.914 0.095 0.000 2.569 75 V HA 0.202 4.322 4.120 -0.001 0.000 0.301 75 V C 0.716 176.861 176.094 0.085 0.000 1.044 75 V CA -0.513 61.838 62.300 0.086 0.000 0.874 75 V CB 1.722 33.572 31.823 0.045 0.000 1.002 75 V HN 0.074 nan 8.190 nan 0.000 0.424 76 F N 5.025 124.926 119.950 -0.080 0.000 2.128 76 F HA 0.027 4.553 4.527 -0.001 0.000 0.295 76 F C 0.938 176.663 175.800 -0.124 0.000 1.100 76 F CA 1.036 58.925 58.000 -0.184 0.000 1.260 76 F CB -0.128 38.781 39.000 -0.152 0.000 1.009 76 F HN 0.481 nan 8.300 nan 0.000 0.476 77 Y N 2.575 122.728 120.300 -0.246 0.000 2.573 77 Y HA 0.340 4.890 4.550 -0.001 0.000 0.346 77 Y C -0.317 175.574 175.900 -0.015 0.000 1.198 77 Y CA -0.441 57.489 58.100 -0.283 0.000 1.627 77 Y CB -0.874 37.443 38.460 -0.238 0.000 1.457 77 Y HN 0.132 nan 8.280 nan 0.000 0.483 78 E N 2.825 122.818 120.200 -0.344 0.000 2.369 78 E HA 0.253 4.602 4.350 -0.001 0.000 0.270 78 E C -1.176 174.905 176.600 -0.865 0.000 0.909 78 E CA -0.900 55.233 56.400 -0.445 0.000 0.775 78 E CB 0.868 30.396 29.700 -0.286 0.000 1.270 78 E HN 0.354 nan 8.360 nan 0.000 0.445 79 N N 1.654 119.455 118.700 -1.499 0.000 2.410 79 N HA -0.019 4.721 4.740 -0.001 0.000 0.281 79 N C -0.634 174.665 175.510 -0.352 0.000 1.241 79 N CA 0.369 52.563 53.050 -1.427 0.000 0.998 79 N CB -0.095 37.513 38.487 -1.465 0.000 1.376 79 N HN 0.407 nan 8.380 nan 0.000 0.490 80 T N 4.637 119.252 114.554 0.100 0.000 3.256 80 T HA 0.115 4.465 4.350 -0.001 0.000 0.237 80 T C 0.233 175.100 174.700 0.279 0.000 0.908 80 T CA -0.752 61.490 62.100 0.236 0.000 0.966 80 T CB -1.261 67.753 68.868 0.243 0.000 1.134 80 T HN 0.302 nan 8.240 nan 0.000 0.573 81 F N 3.091 123.059 119.950 0.029 0.000 2.537 81 F HA 0.132 4.658 4.527 -0.001 0.000 0.402 81 F C 1.165 176.717 175.800 -0.413 0.000 1.005 81 F CA 0.864 58.711 58.000 -0.256 0.000 1.203 81 F CB 0.660 39.355 39.000 -0.508 0.000 0.955 81 F HN 0.394 nan 8.300 nan 0.000 0.547 82 S N 4.013 118.992 115.700 -1.201 0.000 2.819 82 S HA 0.172 4.642 4.470 -0.001 0.000 0.249 82 S C -0.070 173.702 174.600 -1.380 0.000 1.030 82 S CA -0.304 57.302 58.200 -0.990 0.000 1.052 82 S CB -0.572 62.216 63.200 -0.687 0.000 1.017 82 S HN 0.656 nan 8.310 nan 0.000 0.576 83 Y N 1.034 120.077 120.300 -2.096 0.000 2.756 83 Y HA 0.388 4.938 4.550 -0.001 0.000 0.300 83 Y C 0.576 175.689 175.900 -1.310 0.000 1.113 83 Y CA -1.292 55.820 58.100 -1.647 0.000 1.291 83 Y CB -0.610 36.701 38.460 -1.915 0.000 1.175 83 Y HN 0.328 nan 8.280 nan 0.000 0.534 84 W N -0.380 120.527 121.300 -0.655 0.000 2.313 84 W HA -0.295 4.364 4.660 -0.001 0.000 0.293 84 W C 2.471 178.924 176.519 -0.110 0.000 1.216 84 W CA 1.678 58.943 57.345 -0.133 0.000 1.223 84 W CB -0.492 28.942 29.460 -0.042 0.000 1.138 84 W HN 0.413 nan 8.180 nan 0.000 0.535 85 H N -2.628 116.366 119.070 -0.126 0.000 2.491 85 H HA -0.134 4.422 4.556 -0.001 0.000 0.290 85 H C 0.823 176.034 175.328 -0.194 0.000 1.050 85 H CA 1.120 57.039 56.048 -0.215 0.000 1.309 85 H CB -1.184 28.333 29.762 -0.408 0.000 1.392 85 H HN 0.240 nan 8.280 nan 0.000 0.554 86 Y N 1.490 121.701 120.300 -0.149 0.000 2.485 86 Y HA 0.270 4.819 4.550 -0.001 0.000 0.260 86 Y C 0.473 176.469 175.900 0.160 0.000 1.173 86 Y CA -0.238 57.917 58.100 0.093 0.000 1.252 86 Y CB 0.504 39.128 38.460 0.273 0.000 1.123 86 Y HN 0.034 nan 8.280 nan 0.000 0.524 87 T N 0.721 115.425 114.554 0.250 0.000 2.779 87 T HA 0.158 4.508 4.350 -0.001 0.000 0.280 87 T C 0.428 175.286 174.700 0.262 0.000 0.987 87 T CA -0.524 61.748 62.100 0.287 0.000 0.966 87 T CB 1.274 70.327 68.868 0.309 0.000 0.933 87 T HN 0.203 nan 8.240 nan 0.000 0.442 88 D N 1.569 122.116 120.400 0.246 0.000 2.301 88 D HA 0.130 4.769 4.640 -0.001 0.000 0.206 88 D C 0.003 176.393 176.300 0.151 0.000 0.979 88 D CA 0.335 54.467 54.000 0.220 0.000 0.874 88 D CB 0.673 41.639 40.800 0.278 0.000 0.968 88 D HN 0.144 nan 8.370 nan 0.000 0.510 89 L N 0.836 122.142 121.223 0.138 0.000 2.493 89 L HA 0.392 4.732 4.340 -0.001 0.000 0.265 89 L C -1.663 175.270 176.870 0.103 0.000 0.954 89 L CA -0.687 54.190 54.840 0.060 0.000 0.844 89 L CB 2.179 44.176 42.059 -0.104 0.000 1.302 89 L HN -0.237 nan 8.230 nan 0.000 0.405 90 M N 5.234 124.915 119.600 0.135 0.000 2.243 90 M HA 0.689 5.169 4.480 -0.001 0.000 0.324 90 M C -1.796 174.559 176.300 0.091 0.000 1.031 90 M CA -0.361 55.018 55.300 0.132 0.000 0.949 90 M CB 1.610 34.377 32.600 0.277 0.000 1.615 90 M HN 0.228 nan 8.290 nan 0.000 0.430 91 V N 6.107 126.042 119.914 0.034 0.000 2.357 91 V HA 0.266 4.386 4.120 -0.001 0.000 0.284 91 V C -1.072 175.051 176.094 0.049 0.000 1.018 91 V CA -0.671 61.658 62.300 0.047 0.000 0.841 91 V CB 1.089 32.890 31.823 -0.037 0.000 0.991 91 V HN 0.778 nan 8.190 nan 0.000 0.437 92 Y N 5.512 125.769 120.300 -0.071 0.000 2.730 92 Y HA 0.061 4.611 4.550 -0.001 0.000 0.354 92 Y C 0.253 176.111 175.900 -0.071 0.000 1.139 92 Y CA 0.071 58.103 58.100 -0.113 0.000 1.516 92 Y CB 0.229 38.557 38.460 -0.220 0.000 1.204 92 Y HN 0.733 nan 8.280 nan 0.000 0.520 93 W N 8.084 129.070 121.300 -0.524 0.000 2.419 93 W HA 0.509 5.169 4.660 -0.001 0.000 0.312 93 W C -1.050 175.140 176.519 -0.548 0.000 1.323 93 W CA -0.035 57.022 57.345 -0.479 0.000 1.293 93 W CB 0.549 29.726 29.460 -0.472 0.000 1.324 93 W HN 0.747 nan 8.180 nan 0.000 0.512 94 A N 4.010 126.190 122.820 -1.066 0.000 2.511 94 A HA 0.802 5.122 4.320 -0.001 0.000 0.293 94 A C -0.350 176.725 177.584 -0.849 0.000 1.098 94 A CA -0.085 51.464 52.037 -0.814 0.000 0.643 94 A CB 0.811 19.565 19.000 -0.410 0.000 1.302 94 A HN 1.431 nan 8.150 nan 0.000 0.446 95 G N -1.025 107.429 108.800 -0.577 0.000 2.906 95 G HA2 0.617 4.576 3.960 -0.001 0.000 0.686 95 G HA3 0.617 4.576 3.960 -0.001 0.000 0.686 95 G C -0.513 174.158 174.900 -0.381 0.000 1.170 95 G CA 0.327 45.168 45.100 -0.431 0.000 0.775 95 G HN 2.708 nan 8.290 nan 0.000 0.630 96 S N 0.281 115.891 115.700 -0.150 0.000 2.547 96 S HA 0.895 5.365 4.470 -0.001 0.000 0.270 96 S C 1.171 175.851 174.600 0.135 0.000 1.150 96 S CA 0.269 58.495 58.200 0.043 0.000 0.850 96 S CB 1.468 64.650 63.200 -0.031 0.000 1.118 96 S HN 2.410 nan 8.310 nan 0.000 0.461 97 A N 1.555 124.584 122.820 0.350 0.000 1.948 97 A HA 0.144 4.464 4.320 -0.001 0.000 0.220 97 A C 1.966 179.858 177.584 0.515 0.000 1.177 97 A CA 2.117 54.483 52.037 0.549 0.000 0.636 97 A CB -1.506 17.863 19.000 0.615 0.000 0.815 97 A HN 1.489 nan 8.150 nan 0.000 0.449 98 G N -1.488 107.504 108.800 0.321 0.000 2.551 98 G HA2 0.088 4.048 3.960 -0.001 0.000 0.216 98 G HA3 0.088 4.048 3.960 -0.001 0.000 0.216 98 G C 1.303 176.358 174.900 0.258 0.000 1.137 98 G CA 0.840 46.107 45.100 0.279 0.000 0.798 98 G HN 0.631 nan 8.290 nan 0.000 0.536 99 E N -1.348 118.891 120.200 0.065 0.000 2.421 99 E HA 0.397 4.746 4.350 -0.001 0.000 0.209 99 E C 0.745 177.034 176.600 -0.518 0.000 0.871 99 E CA 0.346 56.639 56.400 -0.178 0.000 1.064 99 E CB 1.324 30.819 29.700 -0.342 0.000 1.075 99 E HN 0.327 nan 8.360 nan 0.000 0.513 100 G N 1.354 109.595 108.800 -0.931 0.000 2.306 100 G HA2 0.027 3.987 3.960 -0.001 0.000 0.340 100 G HA3 0.027 3.987 3.960 -0.001 0.000 0.340 100 G C -0.166 174.301 174.900 -0.723 0.000 1.630 100 G CA -0.567 43.748 45.100 -1.308 0.000 0.937 100 G HN 0.161 nan 8.290 nan 0.000 0.693 101 I N -1.331 118.843 120.570 -0.661 0.000 4.082 101 I HA 0.581 4.750 4.170 -0.001 0.000 0.337 101 I C 0.112 176.097 176.117 -0.220 0.000 1.352 101 I CA -0.143 60.957 61.300 -0.333 0.000 1.097 101 I CB 0.356 38.155 38.000 -0.335 0.000 1.048 101 I HN 0.220 nan 8.210 nan 0.000 0.393 102 I N 3.064 123.544 120.570 -0.149 0.000 2.382 102 I HA 0.443 4.612 4.170 -0.001 0.000 0.285 102 I C -0.822 175.401 176.117 0.176 0.000 1.007 102 I CA -0.988 60.348 61.300 0.060 0.000 1.142 102 I CB 2.062 40.129 38.000 0.111 0.000 1.289 102 I HN -0.008 nan 8.210 nan 0.000 0.453 103 V N 8.507 128.568 119.914 0.245 0.000 2.524 103 V HA 0.663 4.783 4.120 -0.001 0.000 0.297 103 V C -2.650 173.473 176.094 0.048 0.000 1.035 103 V CA -1.891 60.461 62.300 0.086 0.000 0.867 103 V CB 2.318 34.119 31.823 -0.035 0.000 1.004 103 V HN 0.424 nan 8.190 nan 0.000 0.426 104 P HA 0.491 nan 4.420 nan 0.000 0.276 104 P C -2.993 173.676 177.300 -1.051 0.000 1.252 104 P CA -2.078 60.630 63.100 -0.652 0.000 0.802 104 P CB 0.045 31.624 31.700 -0.201 0.000 1.035 105 P HA 0.100 nan 4.420 nan 0.000 0.278 105 P C -0.113 176.574 177.300 -1.021 0.000 1.238 105 P CA -0.120 61.972 63.100 -1.679 0.000 0.794 105 P CB 0.153 31.280 31.700 -0.955 0.000 0.955 106 S N 1.322 116.524 115.700 -0.829 0.000 2.579 106 S HA 0.269 4.738 4.470 -0.001 0.000 0.275 106 S C 1.534 175.950 174.600 -0.306 0.000 1.345 106 S CA -0.015 57.932 58.200 -0.422 0.000 1.031 106 S CB 0.381 63.446 63.200 -0.224 0.000 0.892 106 S HN 0.524 nan 8.310 nan 0.000 0.529 107 A N 1.857 124.537 122.820 -0.234 0.000 1.978 107 A HA -0.183 4.137 4.320 -0.001 0.000 0.220 107 A C 1.863 179.389 177.584 -0.096 0.000 1.170 107 A CA 1.775 53.720 52.037 -0.153 0.000 0.636 107 A CB -1.083 17.864 19.000 -0.089 0.000 0.810 107 A HN 0.992 nan 8.150 nan 0.000 0.448 108 D N -0.344 120.019 120.400 -0.062 0.000 2.144 108 D HA -0.094 4.546 4.640 -0.001 0.000 0.200 108 D C 1.652 177.943 176.300 -0.015 0.000 0.978 108 D CA 1.469 55.463 54.000 -0.010 0.000 0.833 108 D CB -0.840 39.975 40.800 0.024 0.000 0.961 108 D HN 0.243 nan 8.370 nan 0.000 0.470 109 V N 0.581 120.475 119.914 -0.034 0.000 2.535 109 V HA -0.040 4.079 4.120 -0.001 0.000 0.246 109 V C 2.620 178.657 176.094 -0.095 0.000 1.045 109 V CA 0.508 62.823 62.300 0.026 0.000 1.058 109 V CB -0.259 31.621 31.823 0.094 0.000 0.689 109 V HN 0.138 nan 8.190 nan 0.000 0.461 110 I N 0.373 120.817 120.570 -0.211 0.000 2.151 110 I HA -0.285 3.884 4.170 -0.001 0.000 0.243 110 I C 2.249 178.097 176.117 -0.449 0.000 1.080 110 I CA 1.791 62.863 61.300 -0.380 0.000 1.339 110 I CB -0.483 37.301 38.000 -0.359 0.000 1.039 110 I HN 0.334 nan 8.210 nan 0.000 0.409 111 D N 1.035 121.287 120.400 -0.248 0.000 2.097 111 D HA -0.153 4.486 4.640 -0.001 0.000 0.195 111 D C 2.269 178.452 176.300 -0.194 0.000 0.989 111 D CA 1.674 55.580 54.000 -0.156 0.000 0.827 111 D CB -0.331 40.433 40.800 -0.060 0.000 0.966 111 D HN 0.358 nan 8.370 nan 0.000 0.456 112 A N 0.420 123.106 122.820 -0.224 0.000 1.865 112 A HA -0.206 4.113 4.320 -0.001 0.000 0.217 112 A C 2.364 179.398 177.584 -0.916 0.000 1.191 112 A CA 2.288 54.101 52.037 -0.373 0.000 0.623 112 A CB -1.018 17.916 19.000 -0.110 0.000 0.826 112 A HN 0.213 nan 8.150 nan 0.000 0.444 113 S N -1.183 113.875 115.700 -1.071 0.000 2.359 113 S HA -0.267 4.203 4.470 -0.001 0.000 0.223 113 S C 1.878 176.239 174.600 -0.400 0.000 1.039 113 S CA 1.906 59.462 58.200 -1.073 0.000 1.042 113 S CB -0.603 62.361 63.200 -0.393 0.000 0.915 113 S HN 0.774 nan 8.310 nan 0.000 0.439 114 H N 0.032 118.918 119.070 -0.305 0.000 2.387 114 H HA 0.029 4.584 4.556 -0.001 0.000 0.299 114 H C 2.578 177.816 175.328 -0.150 0.000 1.090 114 H CA 1.101 57.054 56.048 -0.159 0.000 1.332 114 H CB 0.017 29.728 29.762 -0.086 0.000 1.386 114 H HN 0.303 nan 8.280 nan 0.000 0.516 115 R N 0.632 121.095 120.500 -0.062 0.000 2.127 115 R HA -0.088 4.252 4.340 -0.001 0.000 0.238 115 R C 1.037 177.295 176.300 -0.070 0.000 1.134 115 R CA 1.009 57.078 56.100 -0.052 0.000 0.975 115 R CB -0.036 30.230 30.300 -0.055 0.000 0.865 115 R HN 0.462 nan 8.270 nan 0.000 0.447 116 N N -0.074 118.526 118.700 -0.167 0.000 2.276 116 N HA 0.029 4.768 4.740 -0.001 0.000 0.212 116 N C 0.467 175.971 175.510 -0.011 0.000 1.127 116 N CA 0.669 53.668 53.050 -0.085 0.000 0.834 116 N CB 1.267 39.688 38.487 -0.110 0.000 1.014 116 N HN 0.316 nan 8.380 nan 0.000 0.491 117 G N 0.880 109.669 108.800 -0.018 0.000 2.225 117 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.267 117 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.267 117 G C -0.052 174.878 174.900 0.050 0.000 1.024 117 G CA 0.113 45.216 45.100 0.006 0.000 0.784 117 G HN 0.202 nan 8.290 nan 0.000 0.507 118 V N 1.374 121.334 119.914 0.076 0.000 2.370 118 V HA 0.440 4.559 4.120 -0.001 0.000 0.279 118 V C -1.694 174.505 176.094 0.175 0.000 1.029 118 V CA -1.761 60.632 62.300 0.155 0.000 0.870 118 V CB 1.852 33.845 31.823 0.283 0.000 0.984 118 V HN 0.114 nan 8.190 nan 0.000 0.451 119 P HA 0.341 nan 4.420 nan 0.000 0.276 119 P C -0.590 176.823 177.300 0.188 0.000 1.230 119 P CA -0.036 63.163 63.100 0.166 0.000 0.776 119 P CB 0.839 32.600 31.700 0.102 0.000 0.888 120 I N 3.522 124.226 120.570 0.222 0.000 2.433 120 I HA 0.342 4.511 4.170 -0.001 0.000 0.292 120 I C -1.066 175.134 176.117 0.137 0.000 1.001 120 I CA -1.016 60.374 61.300 0.150 0.000 1.119 120 I CB 0.839 38.881 38.000 0.070 0.000 1.289 120 I HN 0.087 nan 8.210 nan 0.000 0.438 121 L N 6.943 128.223 121.223 0.095 0.000 2.334 121 L HA 0.642 4.981 4.340 -0.001 0.000 0.275 121 L C 0.733 177.527 176.870 -0.127 0.000 1.036 121 L CA -0.746 54.139 54.840 0.075 0.000 0.807 121 L CB 1.384 43.568 42.059 0.208 0.000 1.231 121 L HN 0.634 nan 8.230 nan 0.000 0.438 122 G N 0.575 109.115 108.800 -0.434 0.000 2.547 122 G HA2 0.235 4.195 3.960 -0.001 0.000 0.291 122 G HA3 0.235 4.195 3.960 -0.001 0.000 0.291 122 G C -0.877 174.078 174.900 0.091 0.000 1.211 122 G CA -0.344 44.378 45.100 -0.629 0.000 0.950 122 G HN 0.567 nan 8.290 nan 0.000 0.504 123 N N -1.364 117.518 118.700 0.304 0.000 2.321 123 N HA 0.479 5.218 4.740 -0.001 0.000 0.299 123 N C -0.999 174.789 175.510 0.463 0.000 1.048 123 N CA -0.446 52.836 53.050 0.387 0.000 0.836 123 N CB 2.137 40.620 38.487 -0.006 0.000 1.269 123 N HN 0.150 nan 8.380 nan 0.000 0.486 124 V N 4.037 124.173 119.914 0.370 0.000 2.313 124 V HA 0.384 4.503 4.120 -0.001 0.000 0.278 124 V C -0.872 175.164 176.094 -0.096 0.000 1.017 124 V CA -0.702 61.609 62.300 0.018 0.000 0.823 124 V CB 0.151 31.929 31.823 -0.074 0.000 1.010 124 V HN 0.565 nan 8.190 nan 0.000 0.443 125 F N 6.520 126.250 119.950 -0.366 0.000 2.311 125 F HA 0.614 5.140 4.527 -0.001 0.000 0.371 125 F C -0.494 175.163 175.800 -0.240 0.000 1.083 125 F CA -1.361 56.481 58.000 -0.263 0.000 1.113 125 F CB 0.581 39.395 39.000 -0.310 0.000 1.349 125 F HN 0.372 nan 8.300 nan 0.000 0.470 126 F N 7.136 126.918 119.950 -0.280 0.000 2.405 126 F HA 0.367 4.893 4.527 -0.001 0.000 0.358 126 F C -2.159 173.365 175.800 -0.459 0.000 1.151 126 F CA -2.736 55.143 58.000 -0.201 0.000 1.161 126 F CB -0.136 38.824 39.000 -0.067 0.000 1.245 126 F HN 0.316 nan 8.300 nan 0.000 0.545 127 P HA 0.199 nan 4.420 nan 0.000 0.278 127 P C -2.556 174.813 177.300 0.115 0.000 1.238 127 P CA -1.624 61.335 63.100 -0.235 0.000 0.794 127 P CB 0.308 32.160 31.700 0.253 0.000 0.955 128 P HA -0.076 nan 4.420 nan 0.000 0.266 128 P C 1.184 178.572 177.300 0.147 0.000 1.193 128 P CA 0.530 63.761 63.100 0.219 0.000 0.770 128 P CB -0.102 31.779 31.700 0.302 0.000 0.836 129 T N -1.486 113.105 114.554 0.062 0.000 2.803 129 T HA -0.146 4.203 4.350 -0.001 0.000 0.269 129 T C 1.474 176.166 174.700 -0.013 0.000 1.052 129 T CA 1.454 63.567 62.100 0.022 0.000 1.136 129 T CB -1.258 67.603 68.868 -0.011 0.000 0.864 129 T HN 0.143 nan 8.240 nan 0.000 0.467 130 V N -0.517 119.321 119.914 -0.128 0.000 2.867 130 V HA -0.060 4.059 4.120 -0.001 0.000 0.260 130 V C 1.406 177.342 176.094 -0.263 0.000 1.099 130 V CA 1.033 63.167 62.300 -0.276 0.000 1.122 130 V CB -1.252 30.251 31.823 -0.533 0.000 0.708 130 V HN 0.532 nan 8.190 nan 0.000 0.490 131 Y N 0.255 120.656 120.300 0.167 0.000 2.681 131 Y HA 0.581 5.131 4.550 -0.001 0.000 0.267 131 Y C 1.680 177.716 175.900 0.226 0.000 1.166 131 Y CA -0.527 57.696 58.100 0.204 0.000 1.209 131 Y CB 0.302 38.921 38.460 0.265 0.000 1.161 131 Y HN 0.243 nan 8.280 nan 0.000 0.534 132 G N -0.454 108.506 108.800 0.267 0.000 2.157 132 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.239 132 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.239 132 G C 0.785 175.824 174.900 0.232 0.000 0.982 132 G CA -0.180 45.063 45.100 0.239 0.000 0.650 132 G HN 0.770 nan 8.290 nan 0.000 0.527 133 G N -0.625 108.313 108.800 0.230 0.000 2.484 133 G HA2 0.441 4.400 3.960 -0.001 0.000 0.235 133 G HA3 0.441 4.400 3.960 -0.001 0.000 0.235 133 G C -0.096 174.714 174.900 -0.150 0.000 1.282 133 G CA 0.255 45.464 45.100 0.182 0.000 0.857 133 G HN 0.395 nan 8.290 nan 0.000 0.571 134 Q N 1.534 121.094 119.800 -0.400 0.000 2.275 134 Q HA 0.223 4.562 4.340 -0.001 0.000 0.266 134 Q C 1.216 177.021 176.000 -0.325 0.000 1.002 134 Q CA -0.729 54.698 55.803 -0.626 0.000 0.761 134 Q CB 2.055 29.910 28.738 -1.472 0.000 1.255 134 Q HN 0.523 nan 8.270 nan 0.000 0.446 135 L N 1.366 122.469 121.223 -0.199 0.000 2.051 135 L HA -0.302 4.038 4.340 -0.001 0.000 0.214 135 L C 2.214 179.027 176.870 -0.096 0.000 1.076 135 L CA 1.747 56.515 54.840 -0.121 0.000 0.758 135 L CB 0.055 42.050 42.059 -0.105 0.000 0.890 135 L HN 0.796 nan 8.230 nan 0.000 0.433 136 E N -0.439 119.665 120.200 -0.159 0.000 2.086 136 E HA -0.289 4.060 4.350 -0.001 0.000 0.205 136 E C 2.048 178.710 176.600 0.102 0.000 1.027 136 E CA 2.127 58.479 56.400 -0.080 0.000 0.830 136 E CB -0.165 29.437 29.700 -0.163 0.000 0.751 136 E HN 0.455 nan 8.360 nan 0.000 0.456 137 W N 0.451 121.825 121.300 0.123 0.000 2.321 137 W HA -0.212 4.447 4.660 -0.001 0.000 0.306 137 W C 2.318 178.974 176.519 0.227 0.000 1.217 137 W CA 0.590 58.067 57.345 0.220 0.000 1.257 137 W CB -1.446 28.209 29.460 0.325 0.000 1.145 137 W HN 0.296 nan 8.180 nan 0.000 0.509 138 L N 1.258 122.642 121.223 0.269 0.000 2.017 138 L HA -0.173 4.166 4.340 -0.001 0.000 0.208 138 L C 2.258 179.077 176.870 -0.085 0.000 1.073 138 L CA 2.071 56.786 54.840 -0.208 0.000 0.745 138 L CB -1.090 40.671 42.059 -0.498 0.000 0.894 138 L HN -0.157 nan 8.230 nan 0.000 0.432 139 E N -0.309 119.885 120.200 -0.009 0.000 2.110 139 E HA -0.259 4.091 4.350 -0.001 0.000 0.193 139 E C 2.118 178.767 176.600 0.082 0.000 0.988 139 E CA 1.474 57.885 56.400 0.019 0.000 0.804 139 E CB -0.312 29.396 29.700 0.013 0.000 0.745 139 E HN 0.698 nan 8.360 nan 0.000 0.458 140 Q N -0.138 119.746 119.800 0.139 0.000 2.030 140 Q HA -0.107 4.233 4.340 -0.001 0.000 0.204 140 Q C 2.224 178.332 176.000 0.180 0.000 0.986 140 Q CA 1.300 57.204 55.803 0.168 0.000 0.843 140 Q CB -0.134 28.742 28.738 0.230 0.000 0.904 140 Q HN 0.214 nan 8.270 nan 0.000 0.420 141 M N 0.074 119.792 119.600 0.197 0.000 2.202 141 M HA -0.119 4.361 4.480 -0.001 0.000 0.262 141 M C 1.744 178.160 176.300 0.194 0.000 1.063 141 M CA 1.320 56.730 55.300 0.183 0.000 1.097 141 M CB -0.497 32.209 32.600 0.178 0.000 1.382 141 M HN 0.247 nan 8.290 nan 0.000 0.413 142 L N -0.532 120.775 121.223 0.141 0.000 2.611 142 L HA 0.085 4.425 4.340 -0.001 0.000 0.229 142 L C 0.360 177.463 176.870 0.388 0.000 1.137 142 L CA -0.275 54.729 54.840 0.274 0.000 0.901 142 L CB -0.232 41.886 42.059 0.098 0.000 1.098 142 L HN 0.219 nan 8.230 nan 0.000 0.456 143 E N 1.294 121.647 120.200 0.254 0.000 2.414 143 E HA 0.043 4.393 4.350 -0.001 0.000 0.263 143 E C -0.105 176.470 176.600 -0.042 0.000 1.000 143 E CA 0.418 56.881 56.400 0.104 0.000 0.914 143 E CB 0.611 30.355 29.700 0.074 0.000 0.948 143 E HN 0.154 nan 8.360 nan 0.000 0.444 144 Q N 2.272 121.928 119.800 -0.240 0.000 2.337 144 Q HA 0.145 4.485 4.340 -0.001 0.000 0.270 144 Q C -0.902 174.897 176.000 -0.335 0.000 1.043 144 Q CA -0.759 54.705 55.803 -0.565 0.000 0.794 144 Q CB 1.342 29.625 28.738 -0.759 0.000 1.281 144 Q HN 0.426 nan 8.270 nan 0.000 0.446 145 E N 1.676 121.679 120.200 -0.328 0.000 2.342 145 E HA 0.006 4.355 4.350 -0.001 0.000 0.257 145 E C 0.417 176.906 176.600 -0.184 0.000 1.150 145 E CA 0.049 56.330 56.400 -0.198 0.000 0.926 145 E CB 0.745 30.350 29.700 -0.158 0.000 1.074 145 E HN 0.681 nan 8.360 nan 0.000 0.449 146 E N 0.671 120.799 120.200 -0.121 0.000 2.118 146 E HA -0.241 4.109 4.350 -0.001 0.000 0.195 146 E C 1.346 177.886 176.600 -0.100 0.000 0.992 146 E CA 0.982 57.324 56.400 -0.097 0.000 0.804 146 E CB 0.013 29.674 29.700 -0.066 0.000 0.741 146 E HN 0.416 nan 8.360 nan 0.000 0.458 147 D N -0.147 120.194 120.400 -0.099 0.000 2.244 147 D HA -0.222 4.417 4.640 -0.001 0.000 0.197 147 D C 1.651 177.884 176.300 -0.112 0.000 1.006 147 D CA 2.121 56.068 54.000 -0.088 0.000 0.888 147 D CB -0.274 40.475 40.800 -0.085 0.000 0.912 147 D HN 0.403 nan 8.370 nan 0.000 0.452 148 G N -0.879 107.804 108.800 -0.196 0.000 2.258 148 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.233 148 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.233 148 G C 0.452 175.087 174.900 -0.442 0.000 1.006 148 G CA 0.888 45.840 45.100 -0.247 0.000 0.620 148 G HN 0.808 nan 8.290 nan 0.000 0.511 149 S N 0.031 115.477 115.700 -0.422 0.000 2.584 149 S HA 0.641 5.110 4.470 -0.001 0.000 0.270 149 S C -0.193 173.916 174.600 -0.819 0.000 1.346 149 S CA -0.199 57.563 58.200 -0.730 0.000 1.018 149 S CB 0.889 63.927 63.200 -0.270 0.000 0.899 149 S HN 0.540 nan 8.310 nan 0.000 0.542 150 F N 1.676 121.054 119.950 -0.953 0.000 2.347 150 F HA 0.396 4.923 4.527 -0.001 0.000 0.366 150 F C -1.769 173.947 175.800 -0.139 0.000 1.107 150 F CA -2.156 55.626 58.000 -0.363 0.000 1.058 150 F CB 1.751 40.608 39.000 -0.239 0.000 1.236 150 F HN 0.417 nan 8.300 nan 0.000 0.456 151 P HA -0.186 nan 4.420 nan 0.000 0.216 151 P C 1.558 178.930 177.300 0.120 0.000 1.150 151 P CA 1.316 64.462 63.100 0.077 0.000 0.837 151 P CB 0.248 31.973 31.700 0.041 0.000 0.786 152 L N -1.193 120.142 121.223 0.186 0.000 2.217 152 L HA -0.012 4.327 4.340 -0.001 0.000 0.211 152 L C 2.456 179.435 176.870 0.181 0.000 1.107 152 L CA 1.409 56.353 54.840 0.174 0.000 0.783 152 L CB -1.557 40.629 42.059 0.211 0.000 0.919 152 L HN -0.107 nan 8.230 nan 0.000 0.442 153 A N -0.479 122.469 122.820 0.212 0.000 1.933 153 A HA -0.215 4.104 4.320 -0.001 0.000 0.218 153 A C 2.027 179.629 177.584 0.030 0.000 1.175 153 A CA 1.838 53.842 52.037 -0.055 0.000 0.628 153 A CB -0.520 18.251 19.000 -0.382 0.000 0.814 153 A HN 0.358 nan 8.150 nan 0.000 0.444 154 D N -0.076 120.407 120.400 0.138 0.000 2.117 154 D HA -0.119 4.521 4.640 -0.001 0.000 0.197 154 D C 1.807 178.133 176.300 0.043 0.000 0.987 154 D CA 1.047 55.112 54.000 0.109 0.000 0.829 154 D CB -0.144 40.736 40.800 0.134 0.000 0.961 154 D HN 0.258 nan 8.370 nan 0.000 0.460 155 K N 0.520 120.929 120.400 0.016 0.000 2.148 155 K HA -0.018 4.302 4.320 -0.001 0.000 0.204 155 K C 2.371 178.919 176.600 -0.087 0.000 1.050 155 K CA 0.167 56.429 56.287 -0.041 0.000 0.942 155 K CB -0.359 32.081 32.500 -0.101 0.000 0.724 155 K HN 0.270 nan 8.250 nan 0.000 0.446 156 L N 0.614 121.761 121.223 -0.126 0.000 2.017 156 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 156 L C 2.442 179.407 176.870 0.159 0.000 1.073 156 L CA 1.099 55.806 54.840 -0.221 0.000 0.745 156 L CB -0.539 41.160 42.059 -0.600 0.000 0.894 156 L HN 0.101 nan 8.230 nan 0.000 0.432 157 L N -0.451 120.822 121.223 0.084 0.000 2.056 157 L HA -0.214 4.126 4.340 -0.001 0.000 0.207 157 L C 2.635 179.554 176.870 0.081 0.000 1.078 157 L CA 1.307 56.209 54.840 0.105 0.000 0.749 157 L CB -0.559 41.517 42.059 0.028 0.000 0.901 157 L HN 0.365 nan 8.230 nan 0.000 0.433 158 E N 0.403 120.647 120.200 0.073 0.000 2.077 158 E HA -0.195 4.154 4.350 -0.001 0.000 0.193 158 E C 2.233 178.907 176.600 0.124 0.000 0.989 158 E CA 1.529 57.986 56.400 0.095 0.000 0.800 158 E CB 0.124 29.885 29.700 0.102 0.000 0.746 158 E HN 0.246 nan 8.360 nan 0.000 0.452 159 V N 1.418 121.381 119.914 0.083 0.000 2.295 159 V HA -0.283 3.837 4.120 -0.001 0.000 0.246 159 V C 2.543 178.643 176.094 0.011 0.000 1.049 159 V CA 1.933 64.238 62.300 0.008 0.000 1.024 159 V CB -0.874 31.025 31.823 0.126 0.000 0.648 159 V HN 0.467 nan 8.190 nan 0.000 0.447 160 A N -0.124 122.620 122.820 -0.127 0.000 1.933 160 A HA -0.314 4.005 4.320 -0.001 0.000 0.218 160 A C 2.020 179.360 177.584 -0.406 0.000 1.175 160 A CA 2.323 53.839 52.037 -0.867 0.000 0.628 160 A CB -0.659 17.973 19.000 -0.613 0.000 0.814 160 A HN 0.667 nan 8.150 nan 0.000 0.444 161 D N -2.372 117.965 120.400 -0.106 0.000 2.103 161 D HA -0.172 4.467 4.640 -0.001 0.000 0.199 161 D C 1.775 178.110 176.300 0.059 0.000 0.978 161 D CA 1.283 55.275 54.000 -0.015 0.000 0.829 161 D CB -0.239 40.583 40.800 0.037 0.000 0.981 161 D HN 0.459 nan 8.370 nan 0.000 0.464 162 Y N -0.561 119.745 120.300 0.010 0.000 2.163 162 Y HA -0.200 4.349 4.550 -0.001 0.000 0.288 162 Y C 1.615 177.632 175.900 0.196 0.000 1.136 162 Y CA 1.565 59.712 58.100 0.077 0.000 1.147 162 Y CB -0.294 38.225 38.460 0.098 0.000 0.987 162 Y HN 0.077 nan 8.280 nan 0.000 0.509 163 Y N -0.179 120.266 120.300 0.243 0.000 2.395 163 Y HA 0.205 4.754 4.550 -0.001 0.000 0.293 163 Y C 1.933 177.886 175.900 0.089 0.000 1.123 163 Y CA 0.506 58.726 58.100 0.201 0.000 1.227 163 Y CB -0.589 38.129 38.460 0.431 0.000 1.012 163 Y HN 0.228 nan 8.280 nan 0.000 0.552 164 G N 0.262 109.173 108.800 0.186 0.000 2.356 164 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.233 164 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.233 164 G C -0.265 174.784 174.900 0.248 0.000 1.105 164 G CA 0.046 45.219 45.100 0.123 0.000 0.861 164 G HN 0.318 nan 8.290 nan 0.000 0.493 165 F N -2.121 117.876 119.950 0.077 0.000 2.782 165 F HA 0.846 5.372 4.527 -0.001 0.000 0.366 165 F C 0.196 176.031 175.800 0.058 0.000 1.171 165 F CA -1.474 56.558 58.000 0.053 0.000 1.064 165 F CB 0.747 39.683 39.000 -0.105 0.000 1.449 165 F HN -0.112 nan 8.300 nan 0.000 0.520 166 D N -0.225 120.301 120.400 0.211 0.000 2.538 166 D HA 0.446 5.085 4.640 -0.001 0.000 0.231 166 D C 0.554 176.938 176.300 0.139 0.000 1.229 166 D CA 0.576 54.655 54.000 0.132 0.000 0.828 166 D CB 0.858 41.771 40.800 0.189 0.000 1.035 166 D HN 1.019 nan 8.370 nan 0.000 0.495 167 G N 0.546 109.379 108.800 0.056 0.000 2.270 167 G HA2 0.040 3.999 3.960 -0.001 0.000 0.268 167 G HA3 0.040 3.999 3.960 -0.001 0.000 0.268 167 G C -2.051 172.853 174.900 0.006 0.000 1.312 167 G CA -1.077 44.124 45.100 0.168 0.000 1.050 167 G HN 0.116 nan 8.290 nan 0.000 0.474 168 W N -1.163 120.363 121.300 0.377 0.000 3.217 168 W HA 0.643 5.303 4.660 -0.001 0.000 0.323 168 W C -0.985 175.782 176.519 0.414 0.000 1.216 168 W CA -0.776 56.804 57.345 0.392 0.000 1.194 168 W CB 1.819 31.484 29.460 0.341 0.000 1.397 168 W HN 0.543 nan 8.180 nan 0.000 0.537 169 F N 4.756 125.013 119.950 0.511 0.000 2.420 169 F HA 0.636 5.162 4.527 -0.001 0.000 0.342 169 F C -0.396 175.643 175.800 0.399 0.000 1.113 169 F CA -0.792 57.450 58.000 0.403 0.000 1.059 169 F CB 0.546 39.735 39.000 0.316 0.000 1.128 169 F HN 0.005 nan 8.300 nan 0.000 0.475 170 I N 5.332 125.836 120.570 -0.110 0.000 2.330 170 I HA 0.215 4.385 4.170 -0.001 0.000 0.289 170 I C -0.801 175.127 176.117 -0.314 0.000 1.001 170 I CA -0.552 60.757 61.300 0.013 0.000 1.193 170 I CB 1.104 39.284 38.000 0.300 0.000 1.345 170 I HN 0.622 nan 8.210 nan 0.000 0.461 171 N N 5.422 124.129 118.700 0.012 0.000 2.626 171 N HA 0.147 4.887 4.740 -0.001 0.000 0.249 171 N C -0.624 174.969 175.510 0.139 0.000 1.021 171 N CA -0.364 52.763 53.050 0.128 0.000 0.886 171 N CB 0.943 39.760 38.487 0.551 0.000 1.149 171 N HN 0.377 nan 8.380 nan 0.000 0.517 172 Q N 2.488 122.256 119.800 -0.053 0.000 2.431 172 Q HA 0.218 4.558 4.340 -0.001 0.000 0.249 172 Q C -0.644 175.332 176.000 -0.040 0.000 1.025 172 Q CA 0.128 55.940 55.803 0.015 0.000 0.835 172 Q CB 0.900 29.577 28.738 -0.101 0.000 1.207 172 Q HN 0.736 nan 8.270 nan 0.000 0.490 173 E N 1.253 121.482 120.200 0.048 0.000 2.676 173 E HA 0.132 4.481 4.350 -0.001 0.000 0.222 173 E C -0.510 176.121 176.600 0.051 0.000 0.968 173 E CA -0.010 56.433 56.400 0.071 0.000 1.090 173 E CB 1.013 30.866 29.700 0.255 0.000 1.066 173 E HN 0.398 nan 8.360 nan 0.000 0.496 174 T N 2.435 117.006 114.554 0.029 0.000 2.799 174 T HA 0.102 4.451 4.350 -0.001 0.000 0.296 174 T C 0.096 174.773 174.700 -0.039 0.000 0.947 174 T CA 0.054 62.163 62.100 0.016 0.000 1.141 174 T CB 0.645 69.529 68.868 0.026 0.000 0.891 174 T HN 0.016 nan 8.240 nan 0.000 0.533 175 E N 1.225 121.410 120.200 -0.026 0.000 2.392 175 E HA 0.493 4.842 4.350 -0.001 0.000 0.256 175 E C 1.400 177.969 176.600 -0.052 0.000 1.145 175 E CA 0.378 56.752 56.400 -0.045 0.000 0.929 175 E CB 0.250 29.937 29.700 -0.023 0.000 0.998 175 E HN 0.795 nan 8.360 nan 0.000 0.442 176 G N -0.568 108.201 108.800 -0.052 0.000 2.163 176 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.213 176 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.213 176 G C 0.163 175.032 174.900 -0.052 0.000 0.991 176 G CA -0.198 44.873 45.100 -0.049 0.000 0.653 176 G HN 0.740 nan 8.290 nan 0.000 0.518 177 A N 0.661 123.446 122.820 -0.059 0.000 2.328 177 A HA 0.643 4.962 4.320 -0.001 0.000 0.284 177 A C 0.484 178.046 177.584 -0.037 0.000 1.160 177 A CA 0.442 52.446 52.037 -0.055 0.000 0.818 177 A CB 0.439 19.398 19.000 -0.069 0.000 1.087 177 A HN 0.721 nan 8.150 nan 0.000 0.504 178 D N 0.800 121.183 120.400 -0.028 0.000 2.506 178 D HA 0.150 4.789 4.640 -0.001 0.000 0.272 178 D C 0.810 177.104 176.300 -0.009 0.000 1.214 178 D CA -0.282 53.707 54.000 -0.018 0.000 1.067 178 D CB 0.277 41.066 40.800 -0.017 0.000 1.117 178 D HN 0.571 nan 8.370 nan 0.000 0.578 179 E N -1.063 119.133 120.200 -0.007 0.000 2.268 179 E HA -0.073 4.277 4.350 -0.001 0.000 0.195 179 E C 1.957 178.556 176.600 -0.003 0.000 0.995 179 E CA 1.030 57.429 56.400 -0.002 0.000 0.836 179 E CB -0.527 29.169 29.700 -0.007 0.000 0.763 179 E HN 0.621 nan 8.360 nan 0.000 0.491 180 G N -0.294 108.503 108.800 -0.004 0.000 2.403 180 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.216 180 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.216 180 G C 1.590 176.495 174.900 0.008 0.000 1.154 180 G CA 1.110 46.209 45.100 -0.000 0.000 0.784 180 G HN 0.239 nan 8.290 nan 0.000 0.538 181 T N 1.764 116.319 114.554 0.001 0.000 2.746 181 T HA -0.002 4.347 4.350 -0.001 0.000 0.267 181 T C 2.830 177.538 174.700 0.014 0.000 1.039 181 T CA 1.492 63.590 62.100 -0.003 0.000 1.142 181 T CB -0.384 68.466 68.868 -0.030 0.000 0.866 181 T HN 0.362 nan 8.240 nan 0.000 0.444 182 A N 1.804 124.642 122.820 0.030 0.000 1.865 182 A HA -0.200 4.119 4.320 -0.001 0.000 0.217 182 A C 2.199 179.794 177.584 0.019 0.000 1.191 182 A CA 1.902 53.987 52.037 0.081 0.000 0.623 182 A CB -0.671 18.388 19.000 0.098 0.000 0.826 182 A HN 0.596 nan 8.150 nan 0.000 0.444 183 E N -0.399 119.792 120.200 -0.015 0.000 2.110 183 E HA -0.095 4.254 4.350 -0.001 0.000 0.193 183 E C 2.272 178.879 176.600 0.011 0.000 0.988 183 E CA 0.887 57.263 56.400 -0.039 0.000 0.804 183 E CB -0.291 29.394 29.700 -0.026 0.000 0.745 183 E HN 0.637 nan 8.360 nan 0.000 0.458 184 A N 1.052 123.905 122.820 0.056 0.000 1.930 184 A HA -0.197 4.123 4.320 -0.001 0.000 0.217 184 A C 2.125 179.771 177.584 0.103 0.000 1.175 184 A CA 1.451 53.575 52.037 0.144 0.000 0.627 184 A CB -0.398 18.698 19.000 0.160 0.000 0.815 184 A HN 0.202 nan 8.150 nan 0.000 0.443 185 M N -0.043 119.578 119.600 0.036 0.000 2.117 185 M HA -0.212 4.267 4.480 -0.001 0.000 0.262 185 M C 2.087 178.390 176.300 0.005 0.000 1.065 185 M CA 2.061 57.368 55.300 0.012 0.000 1.114 185 M CB -0.568 32.071 32.600 0.065 0.000 1.361 185 M HN 0.518 nan 8.290 nan 0.000 0.408 186 Q N -0.581 119.177 119.800 -0.070 0.000 2.124 186 Q HA -0.107 4.232 4.340 -0.001 0.000 0.202 186 Q C 2.122 178.077 176.000 -0.074 0.000 0.977 186 Q CA 1.701 57.398 55.803 -0.178 0.000 0.850 186 Q CB -0.427 28.116 28.738 -0.325 0.000 0.901 186 Q HN 0.713 nan 8.270 nan 0.000 0.429 187 A N 0.378 123.198 122.820 0.000 0.000 1.898 187 A HA -0.170 4.150 4.320 -0.001 0.000 0.216 187 A C 1.853 179.385 177.584 -0.087 0.000 1.181 187 A CA 0.921 53.008 52.037 0.083 0.000 0.620 187 A CB -0.751 18.425 19.000 0.294 0.000 0.819 187 A HN 0.464 nan 8.150 nan 0.000 0.442 188 F N 0.722 120.321 119.950 -0.586 0.000 2.095 188 F HA -0.180 4.346 4.527 -0.001 0.000 0.298 188 F C 1.896 177.504 175.800 -0.319 0.000 1.104 188 F CA 1.917 59.339 58.000 -0.963 0.000 1.232 188 F CB -0.178 38.348 39.000 -0.789 0.000 0.987 188 F HN 0.149 nan 8.300 nan 0.000 0.475 189 L N -0.614 120.666 121.223 0.095 0.000 2.046 189 L HA -0.208 4.132 4.340 -0.001 0.000 0.208 189 L C 2.333 179.188 176.870 -0.024 0.000 1.077 189 L CA 0.848 55.735 54.840 0.079 0.000 0.747 189 L CB -0.897 41.204 42.059 0.070 0.000 0.896 189 L HN 0.034 nan 8.230 nan 0.000 0.432 190 V N -0.941 118.955 119.914 -0.029 0.000 2.343 190 V HA -0.325 3.794 4.120 -0.001 0.000 0.247 190 V C 2.265 178.362 176.094 0.006 0.000 1.051 190 V CA 1.812 64.106 62.300 -0.010 0.000 1.036 190 V CB -0.662 31.166 31.823 0.009 0.000 0.654 190 V HN 0.406 nan 8.190 nan 0.000 0.451 191 Y N 0.113 120.341 120.300 -0.120 0.000 2.181 191 Y HA -0.227 4.323 4.550 -0.001 0.000 0.288 191 Y C 2.211 178.021 175.900 -0.150 0.000 1.146 191 Y CA 1.399 59.441 58.100 -0.097 0.000 1.164 191 Y CB -0.268 38.163 38.460 -0.048 0.000 0.982 191 Y HN 0.113 nan 8.280 nan 0.000 0.515 192 L N 0.560 121.623 121.223 -0.266 0.000 1.990 192 L HA -0.291 4.049 4.340 -0.001 0.000 0.213 192 L C 2.447 179.209 176.870 -0.181 0.000 1.072 192 L CA 1.816 56.499 54.840 -0.262 0.000 0.755 192 L CB -1.500 40.470 42.059 -0.149 0.000 0.889 192 L HN 0.320 nan 8.230 nan 0.000 0.432 193 Q N -0.225 119.510 119.800 -0.109 0.000 2.061 193 Q HA -0.219 4.121 4.340 -0.001 0.000 0.204 193 Q C 2.062 178.004 176.000 -0.098 0.000 0.984 193 Q CA 1.708 57.468 55.803 -0.071 0.000 0.846 193 Q CB -0.303 28.412 28.738 -0.039 0.000 0.902 193 Q HN 0.649 nan 8.270 nan 0.000 0.421 194 E N 0.262 120.382 120.200 -0.134 0.000 2.106 194 E HA -0.158 4.191 4.350 -0.001 0.000 0.192 194 E C 1.864 178.351 176.600 -0.188 0.000 0.984 194 E CA 0.719 57.039 56.400 -0.134 0.000 0.806 194 E CB 0.042 29.678 29.700 -0.108 0.000 0.750 194 E HN 0.353 nan 8.360 nan 0.000 0.458 195 Q N 1.124 120.732 119.800 -0.320 0.000 2.402 195 Q HA 0.030 4.370 4.340 -0.001 0.000 0.206 195 Q C 0.623 176.519 176.000 -0.173 0.000 0.919 195 Q CA 0.310 55.930 55.803 -0.305 0.000 0.923 195 Q CB 0.108 28.522 28.738 -0.540 0.000 1.048 195 Q HN 0.311 nan 8.270 nan 0.000 0.515 196 K N 1.816 122.137 120.400 -0.132 0.000 2.319 196 K HA 0.288 4.607 4.320 -0.001 0.000 0.265 196 K C -2.381 174.201 176.600 -0.030 0.000 1.000 196 K CA -1.348 54.907 56.287 -0.053 0.000 0.943 196 K CB -0.123 32.370 32.500 -0.012 0.000 0.950 196 K HN -0.259 nan 8.250 nan 0.000 0.485 197 P HA -0.023 nan 4.420 nan 0.000 0.272 197 P C -0.822 176.484 177.300 0.011 0.000 1.223 197 P CA -0.357 62.742 63.100 -0.002 0.000 0.784 197 P CB 0.560 32.261 31.700 0.002 0.000 0.923 198 E N 0.757 120.964 120.200 0.011 0.000 2.452 198 E HA 0.170 4.519 4.350 -0.001 0.000 0.261 198 E C 1.046 177.666 176.600 0.033 0.000 0.987 198 E CA 0.956 57.369 56.400 0.021 0.000 0.926 198 E CB -0.374 29.338 29.700 0.019 0.000 0.934 198 E HN 0.736 nan 8.360 nan 0.000 0.452 199 G N 3.772 112.603 108.800 0.052 0.000 2.284 199 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.230 199 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.230 199 G C 0.396 175.359 174.900 0.106 0.000 1.021 199 G CA 0.220 45.363 45.100 0.072 0.000 0.619 199 G HN 0.623 nan 8.290 nan 0.000 0.510 200 M N 1.196 120.851 119.600 0.092 0.000 2.252 200 M HA 0.539 5.018 4.480 -0.001 0.000 0.333 200 M C 0.026 176.438 176.300 0.186 0.000 1.111 200 M CA 0.150 55.527 55.300 0.130 0.000 1.140 200 M CB 0.389 33.046 32.600 0.096 0.000 1.538 200 M HN 0.398 nan 8.290 nan 0.000 0.448 201 H N 4.545 123.702 119.070 0.146 0.000 2.658 201 H HA 0.460 5.015 4.556 -0.001 0.000 0.337 201 H C -1.531 173.941 175.328 0.240 0.000 1.009 201 H CA -0.827 55.327 56.048 0.178 0.000 1.231 201 H CB 0.896 30.760 29.762 0.170 0.000 1.508 201 H HN 0.570 nan 8.280 nan 0.000 0.517 202 I N 6.204 126.864 120.570 0.150 0.000 2.330 202 I HA 0.215 4.385 4.170 -0.001 0.000 0.289 202 I C -0.204 176.086 176.117 0.289 0.000 1.001 202 I CA -0.448 61.028 61.300 0.292 0.000 1.193 202 I CB 0.859 39.003 38.000 0.240 0.000 1.345 202 I HN 0.697 nan 8.210 nan 0.000 0.461 203 M N 7.176 127.039 119.600 0.439 0.000 2.268 203 M HA 0.384 4.863 4.480 -0.001 0.000 0.344 203 M C -1.481 174.937 176.300 0.198 0.000 1.106 203 M CA -0.423 55.128 55.300 0.419 0.000 1.010 203 M CB 2.256 35.194 32.600 0.563 0.000 1.649 203 M HN 0.703 nan 8.290 nan 0.000 0.443 204 W N 5.999 127.329 121.300 0.051 0.000 2.520 204 W HA 0.301 4.961 4.660 -0.001 0.000 0.323 204 W C -2.001 174.511 176.519 -0.011 0.000 1.062 204 W CA -0.744 56.572 57.345 -0.048 0.000 1.215 204 W CB 0.912 30.411 29.460 0.065 0.000 1.340 204 W HN 0.710 nan 8.180 nan 0.000 0.516 205 Y N 5.443 125.088 120.300 -1.092 0.000 2.335 205 Y HA 0.076 4.626 4.550 -0.001 0.000 0.331 205 Y C 0.487 175.949 175.900 -0.731 0.000 1.094 205 Y CA -0.128 57.581 58.100 -0.651 0.000 1.253 205 Y CB 0.516 38.712 38.460 -0.441 0.000 1.203 205 Y HN 0.436 nan 8.280 nan 0.000 0.508 206 D N 3.542 123.718 120.400 -0.374 0.000 2.482 206 D HA 0.052 4.691 4.640 -0.001 0.000 0.244 206 D C 0.119 175.970 176.300 -0.749 0.000 1.242 206 D CA 0.832 54.617 54.000 -0.358 0.000 1.097 206 D CB -0.127 40.620 40.800 -0.089 0.000 1.109 206 D HN 0.613 nan 8.370 nan 0.000 0.510 207 S N 2.784 118.024 115.700 -0.768 0.000 4.207 207 S HA 0.135 4.604 4.470 -0.001 0.000 0.177 207 S C 0.803 175.055 174.600 -0.579 0.000 0.981 207 S CA -0.609 57.080 58.200 -0.852 0.000 1.097 207 S CB -0.406 62.297 63.200 -0.828 0.000 1.525 207 S HN 0.339 nan 8.310 nan 0.000 0.686 208 M N 3.714 123.077 119.600 -0.394 0.000 2.303 208 M HA 0.329 4.808 4.480 -0.001 0.000 0.350 208 M C -0.052 176.149 176.300 -0.165 0.000 1.518 208 M CA -0.417 54.748 55.300 -0.224 0.000 1.070 208 M CB 0.077 32.629 32.600 -0.081 0.000 1.910 208 M HN 0.597 nan 8.290 nan 0.000 0.458 209 I N 1.875 122.413 120.570 -0.053 0.000 3.562 209 I HA 0.318 4.487 4.170 -0.001 0.000 0.285 209 I C 0.823 177.101 176.117 0.269 0.000 1.211 209 I CA -0.825 60.544 61.300 0.115 0.000 0.887 209 I CB 0.314 38.340 38.000 0.044 0.000 1.581 209 I HN 0.684 nan 8.210 nan 0.000 0.735 210 D N -0.100 120.428 120.400 0.214 0.000 2.178 210 D HA -0.229 4.410 4.640 -0.001 0.000 0.201 210 D C 1.816 178.154 176.300 0.064 0.000 0.980 210 D CA 2.073 56.139 54.000 0.110 0.000 0.842 210 D CB -1.230 39.579 40.800 0.017 0.000 0.948 210 D HN 0.836 nan 8.370 nan 0.000 0.472 211 T N -4.442 110.141 114.554 0.048 0.000 3.085 211 T HA 0.318 4.667 4.350 -0.001 0.000 0.263 211 T C 1.842 176.553 174.700 0.018 0.000 1.127 211 T CA 0.820 62.932 62.100 0.020 0.000 1.103 211 T CB -0.152 68.720 68.868 0.006 0.000 0.921 211 T HN 0.473 nan 8.240 nan 0.000 0.510 212 G N 1.114 109.937 108.800 0.038 0.000 2.217 212 G HA2 -0.072 3.888 3.960 -0.001 0.000 0.246 212 G HA3 -0.072 3.888 3.960 -0.001 0.000 0.246 212 G C 0.407 175.284 174.900 -0.039 0.000 0.990 212 G CA -0.083 45.026 45.100 0.014 0.000 0.627 212 G HN 1.193 nan 8.290 nan 0.000 0.522 213 A N -0.058 122.734 122.820 -0.048 0.000 2.448 213 A HA 0.626 4.946 4.320 -0.001 0.000 0.239 213 A C 0.467 177.946 177.584 -0.175 0.000 1.080 213 A CA 0.384 52.367 52.037 -0.090 0.000 0.779 213 A CB 0.215 19.175 19.000 -0.066 0.000 1.026 213 A HN 0.852 nan 8.150 nan 0.000 0.499 214 I N 1.192 121.607 120.570 -0.258 0.000 2.301 214 I HA 0.442 4.612 4.170 -0.001 0.000 0.292 214 I C 0.572 176.306 176.117 -0.640 0.000 1.046 214 I CA 0.566 61.554 61.300 -0.520 0.000 1.282 214 I CB 1.304 38.975 38.000 -0.549 0.000 1.409 214 I HN 0.641 nan 8.210 nan 0.000 0.484 215 A N 7.592 130.022 122.820 -0.650 0.000 3.277 215 A HA 0.258 4.578 4.320 -0.001 0.000 0.281 215 A C -0.739 176.744 177.584 -0.168 0.000 1.179 215 A CA -0.609 51.246 52.037 -0.303 0.000 0.879 215 A CB 0.166 19.110 19.000 -0.093 0.000 1.374 215 A HN 0.634 nan 8.150 nan 0.000 0.590 216 W N 1.573 122.878 121.300 0.008 0.000 2.551 216 W HA -0.061 4.599 4.660 -0.001 0.000 0.336 216 W C 0.465 177.007 176.519 0.038 0.000 1.158 216 W CA 0.283 57.592 57.345 -0.059 0.000 1.258 216 W CB 0.140 29.557 29.460 -0.072 0.000 1.157 216 W HN 0.637 nan 8.180 nan 0.000 0.562 217 Q N 1.817 121.723 119.800 0.177 0.000 2.376 217 Q HA -0.087 4.253 4.340 -0.001 0.000 0.206 217 Q C 1.051 177.182 176.000 0.219 0.000 0.921 217 Q CA 0.557 56.479 55.803 0.198 0.000 0.911 217 Q CB -0.011 28.819 28.738 0.153 0.000 1.032 217 Q HN 0.560 nan 8.270 nan 0.000 0.510 218 N N 0.086 118.839 118.700 0.089 0.000 2.863 218 N HA -0.191 4.548 4.740 -0.001 0.000 0.245 218 N C -0.571 174.691 175.510 -0.413 0.000 1.001 218 N CA 1.348 54.348 53.050 -0.082 0.000 0.901 218 N CB -1.127 37.372 38.487 0.020 0.000 1.124 218 N HN 0.465 nan 8.380 nan 0.000 0.582 219 H N -1.487 117.611 119.070 0.047 0.000 2.981 219 H HA 0.509 5.065 4.556 -0.001 0.000 0.327 219 H C -0.843 174.490 175.328 0.008 0.000 1.342 219 H CA -0.825 55.216 56.048 -0.011 0.000 1.123 219 H CB 0.782 30.547 29.762 0.005 0.000 1.851 219 H HN -0.008 nan 8.280 nan 0.000 0.531 220 L N 2.363 123.663 121.223 0.129 0.000 2.315 220 L HA 0.423 4.763 4.340 -0.001 0.000 0.283 220 L C 0.023 176.944 176.870 0.084 0.000 1.089 220 L CA 0.409 55.306 54.840 0.095 0.000 0.833 220 L CB -0.201 41.890 42.059 0.054 0.000 1.170 220 L HN 0.865 nan 8.230 nan 0.000 0.442 221 T N -0.438 114.169 114.554 0.088 0.000 2.773 221 T HA 0.390 4.739 4.350 -0.001 0.000 0.278 221 T C 0.559 175.289 174.700 0.050 0.000 1.011 221 T CA -0.628 61.508 62.100 0.060 0.000 1.014 221 T CB 0.889 69.800 68.868 0.073 0.000 1.293 221 T HN 0.427 nan 8.240 nan 0.000 0.554 222 D N -0.193 120.226 120.400 0.031 0.000 2.263 222 D HA -0.013 4.627 4.640 -0.001 0.000 0.208 222 D C 1.928 178.249 176.300 0.035 0.000 0.971 222 D CA 0.593 54.606 54.000 0.022 0.000 0.867 222 D CB 0.032 40.838 40.800 0.010 0.000 0.929 222 D HN 0.292 nan 8.370 nan 0.000 0.492 223 R N 0.657 121.191 120.500 0.057 0.000 2.200 223 R HA 0.014 4.354 4.340 -0.001 0.000 0.208 223 R C 1.093 177.472 176.300 0.131 0.000 1.033 223 R CA 0.642 56.787 56.100 0.074 0.000 1.000 223 R CB -0.247 30.095 30.300 0.069 0.000 0.906 223 R HN 0.364 nan 8.270 nan 0.000 0.462 224 N N -0.552 118.238 118.700 0.151 0.000 2.145 224 N HA -0.058 4.681 4.740 -0.001 0.000 0.219 224 N C 1.014 176.664 175.510 0.234 0.000 1.266 224 N CA 0.020 53.232 53.050 0.270 0.000 0.902 224 N CB -0.094 38.533 38.487 0.233 0.000 1.078 224 N HN 0.116 nan 8.380 nan 0.000 0.513 225 K N 0.991 121.454 120.400 0.105 0.000 2.280 225 K HA -0.062 4.258 4.320 -0.001 0.000 0.202 225 K C 1.587 178.174 176.600 -0.023 0.000 1.047 225 K CA 1.243 57.561 56.287 0.052 0.000 0.942 225 K CB -0.364 32.149 32.500 0.023 0.000 0.739 225 K HN 0.200 nan 8.250 nan 0.000 0.457 226 M N -0.426 119.108 119.600 -0.111 0.000 2.632 226 M HA -0.039 4.440 4.480 -0.001 0.000 0.256 226 M C 0.397 176.436 176.300 -0.435 0.000 1.080 226 M CA 1.345 56.480 55.300 -0.275 0.000 1.084 226 M CB -1.052 31.335 32.600 -0.355 0.000 1.439 226 M HN 0.082 nan 8.290 nan 0.000 0.509 227 Y N 0.058 120.211 120.300 -0.246 0.000 2.500 227 Y HA 0.169 4.719 4.550 -0.001 0.000 0.270 227 Y C 2.064 177.781 175.900 -0.305 0.000 1.134 227 Y CA 0.340 58.145 58.100 -0.491 0.000 1.293 227 Y CB 0.025 37.895 38.460 -0.983 0.000 1.063 227 Y HN 0.289 nan 8.280 nan 0.000 0.534 228 L N -0.667 120.549 121.223 -0.011 0.000 2.347 228 L HA 0.258 4.597 4.340 -0.001 0.000 0.196 228 L C -0.058 176.815 176.870 0.004 0.000 1.072 228 L CA 1.000 55.867 54.840 0.045 0.000 0.817 228 L CB 0.385 42.503 42.059 0.098 0.000 1.029 228 L HN 0.066 nan 8.230 nan 0.000 0.478 229 Q N -0.139 119.648 119.800 -0.021 0.000 2.295 229 Q HA 0.373 4.713 4.340 -0.001 0.000 0.268 229 Q C -1.716 174.253 176.000 -0.051 0.000 1.010 229 Q CA -0.306 55.481 55.803 -0.027 0.000 0.856 229 Q CB 1.203 29.940 28.738 -0.002 0.000 1.349 229 Q HN 0.139 nan 8.270 nan 0.000 0.412 230 N N 2.576 121.242 118.700 -0.057 0.000 2.573 230 N HA 0.497 5.237 4.740 -0.001 0.000 0.262 230 N C 0.309 175.794 175.510 -0.042 0.000 1.029 230 N CA 1.082 54.093 53.050 -0.064 0.000 0.882 230 N CB 1.183 39.614 38.487 -0.093 0.000 1.204 230 N HN 0.891 nan 8.380 nan 0.000 0.519 231 G N 2.812 111.593 108.800 -0.033 0.000 2.672 231 G HA2 -0.385 3.575 3.960 -0.001 0.000 0.332 231 G HA3 -0.385 3.575 3.960 -0.001 0.000 0.332 231 G C 0.833 175.723 174.900 -0.016 0.000 1.213 231 G CA 1.159 46.246 45.100 -0.022 0.000 0.980 231 G HN 1.026 nan 8.290 nan 0.000 0.548 232 S N -0.750 114.942 115.700 -0.013 0.000 2.540 232 S HA 0.440 4.909 4.470 -0.001 0.000 0.218 232 S C 0.812 175.407 174.600 -0.008 0.000 0.977 232 S CA 1.219 59.415 58.200 -0.007 0.000 0.918 232 S CB 0.361 63.559 63.200 -0.004 0.000 0.806 232 S HN 0.840 nan 8.310 nan 0.000 0.496 233 T N 3.136 117.681 114.554 -0.016 0.000 2.817 233 T HA 0.341 4.690 4.350 -0.001 0.000 0.293 233 T C -0.257 174.431 174.700 -0.020 0.000 0.964 233 T CA -0.490 61.599 62.100 -0.017 0.000 1.085 233 T CB 0.967 69.821 68.868 -0.023 0.000 0.921 233 T HN 0.359 nan 8.240 nan 0.000 0.502 234 R N 3.204 123.696 120.500 -0.013 0.000 2.254 234 R HA 0.426 4.765 4.340 -0.001 0.000 0.318 234 R C 0.204 176.492 176.300 -0.020 0.000 1.031 234 R CA -0.336 55.758 56.100 -0.010 0.000 0.905 234 R CB 0.490 30.790 30.300 0.000 0.000 1.050 234 R HN 0.481 nan 8.270 nan 0.000 0.456 235 V N 3.064 122.963 119.914 -0.026 0.000 2.788 235 V HA 0.324 4.443 4.120 -0.001 0.000 0.241 235 V C 0.462 176.553 176.094 -0.006 0.000 1.083 235 V CA 1.060 63.334 62.300 -0.044 0.000 1.103 235 V CB 0.382 32.142 31.823 -0.105 0.000 0.800 235 V HN 0.853 nan 8.190 nan 0.000 0.476 236 A N -0.775 122.059 122.820 0.024 0.000 2.587 236 A HA 0.513 4.833 4.320 -0.001 0.000 0.293 236 A C -0.092 177.520 177.584 0.047 0.000 1.087 236 A CA -0.289 51.790 52.037 0.069 0.000 0.692 236 A CB 1.071 20.167 19.000 0.159 0.000 1.291 236 A HN 0.100 nan 8.150 nan 0.000 0.407 237 D N 0.324 120.707 120.400 -0.029 0.000 2.277 237 D HA 0.069 4.708 4.640 -0.001 0.000 0.208 237 D C 0.644 176.974 176.300 0.049 0.000 0.962 237 D CA 1.942 55.853 54.000 -0.149 0.000 0.865 237 D CB 0.249 40.660 40.800 -0.649 0.000 0.939 237 D HN 0.709 nan 8.370 nan 0.000 0.510 238 S N -0.968 114.863 115.700 0.218 0.000 2.611 238 S HA 0.525 4.995 4.470 -0.001 0.000 0.268 238 S C -0.999 173.877 174.600 0.460 0.000 1.156 238 S CA -1.048 57.422 58.200 0.450 0.000 0.817 238 S CB 2.581 66.239 63.200 0.763 0.000 1.122 238 S HN 0.019 nan 8.310 nan 0.000 0.466 239 M N 1.801 121.701 119.600 0.501 0.000 2.393 239 M HA 0.615 5.094 4.480 -0.001 0.000 0.299 239 M C -2.175 174.446 176.300 0.534 0.000 1.103 239 M CA -0.784 54.807 55.300 0.486 0.000 0.910 239 M CB 1.725 34.564 32.600 0.397 0.000 1.659 239 M HN 0.822 nan 8.290 nan 0.000 0.445 240 F N 6.004 126.187 119.950 0.388 0.000 2.350 240 F HA 0.401 4.928 4.527 -0.001 0.000 0.365 240 F C -1.121 174.852 175.800 0.289 0.000 1.122 240 F CA -0.784 57.459 58.000 0.404 0.000 1.139 240 F CB 0.531 39.851 39.000 0.533 0.000 1.220 240 F HN 0.404 nan 8.300 nan 0.000 0.499 241 L N 5.412 126.621 121.223 -0.024 0.000 2.416 241 L HA 0.098 4.437 4.340 -0.001 0.000 0.272 241 L C 0.430 177.209 176.870 -0.153 0.000 1.161 241 L CA 0.021 54.815 54.840 -0.078 0.000 0.845 241 L CB -0.155 41.784 42.059 -0.200 0.000 1.119 241 L HN 0.632 nan 8.230 nan 0.000 0.464 242 N N 1.411 120.033 118.700 -0.130 0.000 2.340 242 N HA 0.011 4.750 4.740 -0.001 0.000 0.236 242 N C 0.787 175.997 175.510 -0.499 0.000 1.296 242 N CA 0.325 53.093 53.050 -0.469 0.000 0.896 242 N CB 0.341 38.563 38.487 -0.442 0.000 1.127 242 N HN 0.377 nan 8.380 nan 0.000 0.442 243 F N -0.806 118.823 119.950 -0.535 0.000 2.558 243 F HA 0.115 4.641 4.527 -0.001 0.000 0.298 243 F C 0.557 176.027 175.800 -0.549 0.000 1.119 243 F CA -0.108 57.584 58.000 -0.514 0.000 1.451 243 F CB 0.076 38.731 39.000 -0.574 0.000 1.091 243 F HN 0.334 nan 8.300 nan 0.000 0.563 244 W N 2.880 124.191 121.300 0.018 0.000 1.603 244 W HA 0.167 4.827 4.660 -0.001 0.000 0.392 244 W C -0.310 176.196 176.519 -0.021 0.000 0.661 244 W CA -1.395 55.910 57.345 -0.067 0.000 2.021 244 W CB -1.285 28.172 29.460 -0.004 0.000 1.759 244 W HN 0.150 nan 8.180 nan 0.000 0.334 245 W N 1.061 122.379 121.300 0.029 0.000 2.864 245 W HA 0.520 5.180 4.660 -0.001 0.000 0.343 245 W C 0.143 176.673 176.519 0.017 0.000 1.109 245 W CA -1.112 56.203 57.345 -0.051 0.000 1.192 245 W CB 0.737 29.982 29.460 -0.359 0.000 1.426 245 W HN -0.155 nan 8.180 nan 0.000 0.529 246 R N 0.497 121.250 120.500 0.422 0.000 2.394 246 R HA 0.192 4.532 4.340 -0.001 0.000 0.220 246 R C -0.884 175.688 176.300 0.454 0.000 0.887 246 R CA 0.180 56.444 56.100 0.273 0.000 1.034 246 R CB 0.382 30.764 30.300 0.138 0.000 1.179 246 R HN 0.692 nan 8.270 nan 0.000 0.561 247 D N -1.080 119.625 120.400 0.508 0.000 2.655 247 D HA 0.215 4.855 4.640 -0.001 0.000 0.229 247 D C -0.171 176.214 176.300 0.142 0.000 1.229 247 D CA -0.253 53.913 54.000 0.276 0.000 0.807 247 D CB 1.379 42.257 40.800 0.130 0.000 1.514 247 D HN -0.352 nan 8.370 nan 0.000 0.444 248 Q N 1.151 120.891 119.800 -0.100 0.000 2.140 248 Q HA 0.146 4.485 4.340 -0.001 0.000 0.227 248 Q C 1.374 177.162 176.000 -0.354 0.000 0.798 248 Q CA -0.067 55.615 55.803 -0.202 0.000 0.987 248 Q CB 0.614 29.130 28.738 -0.370 0.000 1.161 248 Q HN 0.540 nan 8.270 nan 0.000 0.480 249 R N 1.688 121.767 120.500 -0.702 0.000 2.119 249 R HA -0.250 4.089 4.340 -0.001 0.000 0.246 249 R C 2.026 178.141 176.300 -0.308 0.000 1.146 249 R CA 2.466 58.145 56.100 -0.701 0.000 0.962 249 R CB 0.160 30.103 30.300 -0.595 0.000 0.863 249 R HN 0.325 nan 8.270 nan 0.000 0.442 250 Q N -0.774 118.884 119.800 -0.236 0.000 2.124 250 Q HA -0.076 4.264 4.340 -0.001 0.000 0.202 250 Q C 1.839 177.762 176.000 -0.128 0.000 0.977 250 Q CA 1.974 57.675 55.803 -0.171 0.000 0.850 250 Q CB -0.093 28.523 28.738 -0.203 0.000 0.901 250 Q HN 0.165 nan 8.270 nan 0.000 0.429 251 S N 1.279 116.914 115.700 -0.109 0.000 2.387 251 S HA -0.132 4.338 4.470 -0.001 0.000 0.226 251 S C 1.706 176.245 174.600 -0.101 0.000 1.026 251 S CA 0.845 59.004 58.200 -0.068 0.000 0.972 251 S CB -0.442 62.734 63.200 -0.041 0.000 0.814 251 S HN 0.507 nan 8.310 nan 0.000 0.477 252 N N 1.734 120.350 118.700 -0.139 0.000 2.036 252 N HA -0.208 4.531 4.740 -0.001 0.000 0.195 252 N C 1.505 176.948 175.510 -0.112 0.000 1.037 252 N CA 1.725 54.686 53.050 -0.148 0.000 0.855 252 N CB -0.249 38.161 38.487 -0.128 0.000 1.033 252 N HN 0.494 nan 8.380 nan 0.000 0.423 253 E N 0.046 120.186 120.200 -0.100 0.000 2.058 253 E HA -0.190 4.159 4.350 -0.001 0.000 0.194 253 E C 1.969 178.534 176.600 -0.057 0.000 0.997 253 E CA 1.005 57.362 56.400 -0.072 0.000 0.801 253 E CB -0.194 29.462 29.700 -0.073 0.000 0.746 253 E HN 0.228 nan 8.360 nan 0.000 0.450 254 L N 0.822 122.010 121.223 -0.058 0.000 2.083 254 L HA -0.104 4.235 4.340 -0.001 0.000 0.209 254 L C 2.112 178.963 176.870 -0.032 0.000 1.083 254 L CA 1.971 56.788 54.840 -0.039 0.000 0.752 254 L CB -0.734 41.307 42.059 -0.031 0.000 0.899 254 L HN 0.056 nan 8.230 nan 0.000 0.433 255 A N -1.117 121.676 122.820 -0.044 0.000 1.902 255 A HA -0.234 4.085 4.320 -0.001 0.000 0.217 255 A C 2.140 179.703 177.584 -0.034 0.000 1.181 255 A CA 1.659 53.673 52.037 -0.038 0.000 0.623 255 A CB -0.507 18.453 19.000 -0.067 0.000 0.818 255 A HN 0.655 nan 8.150 nan 0.000 0.443 256 Q N -0.596 119.177 119.800 -0.045 0.000 2.084 256 Q HA -0.144 4.195 4.340 -0.001 0.000 0.202 256 Q C 2.362 178.352 176.000 -0.017 0.000 0.978 256 Q CA 1.446 57.231 55.803 -0.030 0.000 0.844 256 Q CB -0.414 28.304 28.738 -0.033 0.000 0.898 256 Q HN 0.677 nan 8.270 nan 0.000 0.426 257 A N 0.678 123.486 122.820 -0.020 0.000 2.067 257 A HA -0.091 4.229 4.320 -0.001 0.000 0.219 257 A C 1.919 179.497 177.584 -0.010 0.000 1.158 257 A CA 0.860 52.888 52.037 -0.015 0.000 0.661 257 A CB -0.353 18.636 19.000 -0.018 0.000 0.801 257 A HN 0.281 nan 8.150 nan 0.000 0.452 258 L N -1.375 119.842 121.223 -0.010 0.000 2.558 258 L HA 0.172 4.511 4.340 -0.001 0.000 0.225 258 L C 1.577 178.448 176.870 0.001 0.000 1.128 258 L CA 0.597 55.434 54.840 -0.005 0.000 0.868 258 L CB 0.004 42.062 42.059 -0.002 0.000 1.006 258 L HN 0.564 nan 8.230 nan 0.000 0.454 259 G N 0.546 109.347 108.800 0.002 0.000 2.176 259 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.252 259 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.252 259 G C 0.050 174.962 174.900 0.019 0.000 1.024 259 G CA -0.139 44.967 45.100 0.010 0.000 0.755 259 G HN 0.177 nan 8.290 nan 0.000 0.507 260 R N -0.165 120.345 120.500 0.016 0.000 2.778 260 R HA 0.660 5.000 4.340 -0.001 0.000 0.277 260 R C 0.261 176.572 176.300 0.019 0.000 0.977 260 R CA -0.376 55.743 56.100 0.031 0.000 0.950 260 R CB 1.404 31.726 30.300 0.036 0.000 1.165 260 R HN 0.358 nan 8.270 nan 0.000 0.474 261 S N 1.829 117.558 115.700 0.050 0.000 2.533 261 S HA 0.119 4.588 4.470 -0.001 0.000 0.282 261 S C -1.505 173.050 174.600 -0.075 0.000 1.304 261 S CA -1.059 57.161 58.200 0.033 0.000 1.063 261 S CB 0.561 63.860 63.200 0.165 0.000 0.881 261 S HN 0.255 nan 8.310 nan 0.000 0.493 262 P HA -0.059 nan 4.420 nan 0.000 0.223 262 P C -0.078 176.944 177.300 -0.463 0.000 1.144 262 P CA 1.238 64.080 63.100 -0.430 0.000 0.783 262 P CB -0.110 31.186 31.700 -0.673 0.000 0.771 263 Y N -1.364 118.930 120.300 -0.009 0.000 2.470 263 Y HA 0.078 4.627 4.550 -0.001 0.000 0.284 263 Y C 1.313 177.188 175.900 -0.041 0.000 1.188 263 Y CA -0.135 57.936 58.100 -0.048 0.000 1.269 263 Y CB -0.421 38.044 38.460 0.008 0.000 1.094 263 Y HN -0.082 nan 8.280 nan 0.000 0.518 264 D N 0.164 120.626 120.400 0.104 0.000 2.349 264 D HA 0.144 4.784 4.640 -0.001 0.000 0.214 264 D C -0.013 176.398 176.300 0.185 0.000 1.063 264 D CA 0.473 54.607 54.000 0.222 0.000 0.847 264 D CB 0.354 41.301 40.800 0.244 0.000 0.933 264 D HN 0.268 nan 8.370 nan 0.000 0.513 265 L N 0.628 121.825 121.223 -0.044 0.000 2.295 265 L HA 0.351 4.690 4.340 -0.001 0.000 0.285 265 L C -0.775 175.984 176.870 -0.185 0.000 1.035 265 L CA -0.841 54.001 54.840 0.003 0.000 0.806 265 L CB 1.053 43.076 42.059 -0.061 0.000 1.214 265 L HN -0.137 nan 8.230 nan 0.000 0.426 266 Y N 1.803 122.129 120.300 0.043 0.000 2.464 266 Y HA 0.456 5.006 4.550 -0.001 0.000 0.326 266 Y C 0.612 176.329 175.900 -0.305 0.000 0.969 266 Y CA -0.771 57.307 58.100 -0.037 0.000 1.270 266 Y CB 1.555 40.069 38.460 0.090 0.000 1.103 266 Y HN 0.659 nan 8.280 nan 0.000 0.491 267 A N 2.852 125.523 122.820 -0.249 0.000 2.515 267 A HA 0.428 4.747 4.320 -0.001 0.000 0.263 267 A C 0.887 178.355 177.584 -0.194 0.000 1.096 267 A CA 0.273 52.046 52.037 -0.439 0.000 0.769 267 A CB -0.339 18.149 19.000 -0.853 0.000 1.040 267 A HN 0.865 nan 8.150 nan 0.000 0.505 268 G N 1.004 109.682 108.800 -0.203 0.000 2.432 268 G HA2 0.496 4.456 3.960 -0.001 0.000 0.257 268 G HA3 0.496 4.456 3.960 -0.001 0.000 0.257 268 G C -0.578 174.656 174.900 0.557 0.000 1.238 268 G CA -0.221 44.818 45.100 -0.102 0.000 0.838 268 G HN 0.878 nan 8.290 nan 0.000 0.547 269 V N 2.460 122.688 119.914 0.522 0.000 2.577 269 V HA 0.230 4.349 4.120 -0.001 0.000 0.303 269 V C -0.934 175.163 176.094 0.005 0.000 1.042 269 V CA -0.931 61.509 62.300 0.233 0.000 0.872 269 V CB 1.914 33.809 31.823 0.120 0.000 0.998 269 V HN 0.774 nan 8.190 nan 0.000 0.423 270 D N 3.669 123.702 120.400 -0.612 0.000 2.380 270 D HA 0.287 4.927 4.640 -0.001 0.000 0.230 270 D C 0.602 176.710 176.300 -0.319 0.000 1.154 270 D CA -0.082 53.458 54.000 -0.766 0.000 0.859 270 D CB 1.758 41.749 40.800 -1.348 0.000 1.045 270 D HN 0.451 nan 8.370 nan 0.000 0.495 271 V N 1.200 121.006 119.914 -0.181 0.000 3.427 271 V HA 0.230 4.350 4.120 -0.001 0.000 0.305 271 V C 1.569 177.499 176.094 -0.273 0.000 1.412 271 V CA -0.092 62.086 62.300 -0.203 0.000 1.086 271 V CB 0.069 31.886 31.823 -0.010 0.000 0.964 271 V HN 0.467 nan 8.190 nan 0.000 0.439 272 E N 1.884 121.955 120.200 -0.215 0.000 2.058 272 E HA -0.215 4.135 4.350 -0.001 0.000 0.194 272 E C 2.074 178.642 176.600 -0.053 0.000 0.997 272 E CA 2.182 58.488 56.400 -0.157 0.000 0.801 272 E CB -0.112 29.497 29.700 -0.152 0.000 0.746 272 E HN 0.728 nan 8.360 nan 0.000 0.450 273 A N 0.182 122.942 122.820 -0.100 0.000 1.975 273 A HA 0.041 4.361 4.320 -0.001 0.000 0.215 273 A C 1.966 179.503 177.584 -0.078 0.000 1.170 273 A CA 0.866 52.883 52.037 -0.032 0.000 0.656 273 A CB 0.062 19.036 19.000 -0.042 0.000 0.821 273 A HN 0.121 nan 8.150 nan 0.000 0.449 274 R N -2.047 118.244 120.500 -0.350 0.000 2.487 274 R HA 0.284 4.623 4.340 -0.001 0.000 0.272 274 R C 1.450 177.095 176.300 -1.093 0.000 0.928 274 R CA 0.433 56.257 56.100 -0.461 0.000 1.077 274 R CB 0.389 30.511 30.300 -0.296 0.000 1.265 274 R HN 0.529 nan 8.270 nan 0.000 0.537 275 G N 1.420 109.214 108.800 -1.676 0.000 2.690 275 G HA2 -0.501 3.459 3.960 -0.001 0.000 0.334 275 G HA3 -0.501 3.459 3.960 -0.001 0.000 0.334 275 G C 1.080 175.053 174.900 -1.546 0.000 1.250 275 G CA 1.586 45.382 45.100 -2.174 0.000 0.994 275 G HN 0.384 nan 8.290 nan 0.000 0.549 276 T N -2.301 111.315 114.554 -1.564 0.000 3.098 276 T HA 0.232 4.582 4.350 -0.001 0.000 0.266 276 T C 1.992 176.235 174.700 -0.762 0.000 1.145 276 T CA 1.961 63.141 62.100 -1.533 0.000 1.092 276 T CB -0.002 68.325 68.868 -0.903 0.000 0.908 276 T HN 0.533 nan 8.240 nan 0.000 0.526 277 S N 1.053 116.419 115.700 -0.556 0.000 2.597 277 S HA 0.165 4.635 4.470 -0.001 0.000 0.224 277 S C 0.489 174.968 174.600 -0.201 0.000 0.955 277 S CA -0.331 57.720 58.200 -0.249 0.000 0.933 277 S CB -0.049 63.051 63.200 -0.166 0.000 0.788 277 S HN 0.548 nan 8.310 nan 0.000 0.488 278 T N 5.285 119.669 114.554 -0.283 0.000 2.799 278 T HA 0.231 4.580 4.350 -0.001 0.000 0.296 278 T C -2.551 172.160 174.700 0.019 0.000 0.947 278 T CA -0.947 61.064 62.100 -0.148 0.000 1.141 278 T CB 0.666 69.438 68.868 -0.159 0.000 0.891 278 T HN 0.078 nan 8.240 nan 0.000 0.533 279 P HA 0.393 nan 4.420 nan 0.000 0.276 279 P C -1.102 176.077 177.300 -0.202 0.000 1.235 279 P CA -0.364 62.697 63.100 -0.064 0.000 0.772 279 P CB 0.649 32.299 31.700 -0.084 0.000 0.871 280 V N 3.779 123.503 119.914 -0.318 0.000 2.808 280 V HA 0.188 4.307 4.120 -0.001 0.000 0.308 280 V C -0.004 175.693 176.094 -0.662 0.000 1.099 280 V CA -0.683 61.173 62.300 -0.739 0.000 0.920 280 V CB 2.307 33.227 31.823 -1.505 0.000 1.014 280 V HN 0.326 nan 8.190 nan 0.000 0.425 281 Q N 2.788 122.242 119.800 -0.576 0.000 3.026 281 Q HA 0.109 4.448 4.340 -0.001 0.000 0.258 281 Q C 0.648 176.595 176.000 -0.089 0.000 1.388 281 Q CA 0.143 55.796 55.803 -0.250 0.000 1.000 281 Q CB 0.080 28.717 28.738 -0.168 0.000 1.634 281 Q HN 0.867 nan 8.270 nan 0.000 0.571 282 W N 0.860 122.185 121.300 0.042 0.000 2.338 282 W HA -0.236 4.423 4.660 -0.001 0.000 0.304 282 W C 1.654 178.197 176.519 0.040 0.000 1.212 282 W CA 0.906 58.256 57.345 0.007 0.000 1.264 282 W CB 0.163 29.675 29.460 0.086 0.000 1.142 282 W HN 0.478 nan 8.180 nan 0.000 0.512 283 E N -0.306 120.085 120.200 0.318 0.000 2.160 283 E HA -0.162 4.187 4.350 -0.001 0.000 0.195 283 E C 2.367 179.078 176.600 0.185 0.000 0.991 283 E CA 1.505 58.044 56.400 0.232 0.000 0.810 283 E CB -1.184 28.633 29.700 0.195 0.000 0.742 283 E HN 0.317 nan 8.360 nan 0.000 0.466 284 G N 0.065 108.998 108.800 0.223 0.000 2.509 284 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.218 284 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.218 284 G C 1.346 176.342 174.900 0.160 0.000 1.124 284 G CA 0.635 45.903 45.100 0.280 0.000 0.776 284 G HN 0.214 nan 8.290 nan 0.000 0.547 285 L N -1.623 119.551 121.223 -0.081 0.000 2.547 285 L HA 0.546 4.885 4.340 -0.001 0.000 0.218 285 L C -0.121 176.297 176.870 -0.752 0.000 1.048 285 L CA 0.110 54.631 54.840 -0.531 0.000 0.859 285 L CB 0.315 41.879 42.059 -0.825 0.000 1.128 285 L HN 0.075 nan 8.230 nan 0.000 0.483 286 F N 3.005 122.835 119.950 -0.200 0.000 2.363 286 F HA 0.440 4.967 4.527 -0.001 0.000 0.366 286 F C -2.082 173.664 175.800 -0.091 0.000 1.083 286 F CA -2.259 55.602 58.000 -0.233 0.000 1.176 286 F CB 0.530 39.313 39.000 -0.361 0.000 1.432 286 F HN -0.037 nan 8.300 nan 0.000 0.482 287 P HA 0.059 nan 4.420 nan 0.000 0.271 287 P C 0.357 177.701 177.300 0.074 0.000 1.216 287 P CA 0.057 63.165 63.100 0.014 0.000 0.776 287 P CB 1.089 32.739 31.700 -0.084 0.000 0.881 288 E N 1.010 121.269 120.200 0.098 0.000 2.209 288 E HA -0.100 4.250 4.350 -0.001 0.000 0.196 288 E C 1.308 177.944 176.600 0.060 0.000 0.993 288 E CA 1.274 57.732 56.400 0.096 0.000 0.819 288 E CB -0.023 29.729 29.700 0.087 0.000 0.745 288 E HN 0.652 nan 8.360 nan 0.000 0.477 289 G N -0.359 108.470 108.800 0.047 0.000 3.252 289 G HA2 0.237 4.197 3.960 -0.001 0.000 0.181 289 G HA3 0.237 4.197 3.960 -0.001 0.000 0.181 289 G C -0.867 174.048 174.900 0.026 0.000 1.187 289 G CA -0.622 44.496 45.100 0.030 0.000 0.886 289 G HN 0.065 nan 8.290 nan 0.000 0.615 290 E N -0.610 119.606 120.200 0.026 0.000 9.134 290 E HA -0.205 4.145 4.350 -0.001 0.000 0.331 290 E C -0.258 176.348 176.600 0.010 0.000 1.429 290 E CA 1.084 57.500 56.400 0.027 0.000 2.486 290 E CB -0.249 29.480 29.700 0.048 0.000 1.103 290 E HN 0.537 nan 8.360 nan 0.000 0.403 291 K N -0.057 120.356 120.400 0.022 0.000 2.440 291 K HA 0.538 4.858 4.320 -0.001 0.000 0.252 291 K C 0.140 176.728 176.600 -0.021 0.000 1.044 291 K CA -0.180 56.125 56.287 0.030 0.000 0.962 291 K CB 0.405 32.970 32.500 0.107 0.000 1.269 291 K HN 0.580 nan 8.250 nan 0.000 0.505 292 A N 0.665 123.525 122.820 0.067 0.000 2.440 292 A HA 0.067 4.387 4.320 -0.001 0.000 0.251 292 A C 0.243 177.853 177.584 0.044 0.000 1.089 292 A CA 0.021 52.091 52.037 0.055 0.000 0.779 292 A CB -0.354 18.806 19.000 0.266 0.000 1.022 292 A HN 0.813 nan 8.150 nan 0.000 0.492 293 H N 0.848 119.898 119.070 -0.033 0.000 2.389 293 H HA 0.030 4.586 4.556 -0.001 0.000 0.299 293 H C 1.275 176.454 175.328 -0.248 0.000 1.081 293 H CA 1.670 57.635 56.048 -0.138 0.000 1.345 293 H CB 0.192 29.842 29.762 -0.188 0.000 1.393 293 H HN 0.827 nan 8.280 nan 0.000 0.520 294 T N -3.407 111.094 114.554 -0.089 0.000 2.647 294 T HA 0.458 4.807 4.350 -0.001 0.000 0.295 294 T C -0.036 174.713 174.700 0.083 0.000 1.126 294 T CA -1.017 60.994 62.100 -0.148 0.000 1.040 294 T CB 1.824 70.545 68.868 -0.245 0.000 1.472 294 T HN -0.005 nan 8.240 nan 0.000 0.500 295 S N -0.208 115.486 115.700 -0.010 0.000 2.686 295 S HA 0.695 5.164 4.470 -0.001 0.000 0.270 295 S C -0.676 173.952 174.600 0.046 0.000 1.194 295 S CA -0.675 57.530 58.200 0.009 0.000 0.990 295 S CB 0.565 63.509 63.200 -0.428 0.000 1.029 295 S HN 0.742 nan 8.310 nan 0.000 0.560 296 L N 0.908 122.339 121.223 0.346 0.000 2.329 296 L HA 0.765 5.105 4.340 -0.001 0.000 0.279 296 L C -0.060 177.078 176.870 0.447 0.000 1.014 296 L CA -0.037 55.023 54.840 0.366 0.000 0.814 296 L CB 1.015 43.408 42.059 0.557 0.000 1.257 296 L HN 0.645 nan 8.230 nan 0.000 0.424 297 G N 5.669 114.626 108.800 0.262 0.000 2.644 297 G HA2 0.545 4.505 3.960 -0.001 0.000 0.300 297 G HA3 0.545 4.505 3.960 -0.001 0.000 0.300 297 G C -1.405 173.724 174.900 0.382 0.000 1.395 297 G CA -0.478 44.777 45.100 0.260 0.000 0.964 297 G HN 0.565 nan 8.290 nan 0.000 0.511 298 L N 2.860 124.350 121.223 0.445 0.000 2.262 298 L HA 0.278 4.617 4.340 -0.001 0.000 0.288 298 L C -0.630 176.427 176.870 0.311 0.000 1.035 298 L CA -1.092 53.970 54.840 0.370 0.000 0.820 298 L CB 1.185 43.415 42.059 0.284 0.000 1.204 298 L HN 0.566 nan 8.230 nan 0.000 0.424 299 Y N 5.520 125.944 120.300 0.206 0.000 2.404 299 Y HA 0.224 4.773 4.550 -0.001 0.000 0.344 299 Y C 0.486 176.266 175.900 -0.201 0.000 0.995 299 Y CA -0.629 57.418 58.100 -0.088 0.000 1.201 299 Y CB 0.104 38.584 38.460 0.032 0.000 1.151 299 Y HN 0.514 nan 8.280 nan 0.000 0.517 300 R N 3.956 123.938 120.500 -0.864 0.000 3.407 300 R HA -0.140 4.200 4.340 -0.001 0.000 0.277 300 R C -2.382 173.688 176.300 -0.383 0.000 1.119 300 R CA 0.669 56.315 56.100 -0.757 0.000 0.750 300 R CB -2.107 27.594 30.300 -0.998 0.000 1.258 300 R HN 0.563 nan 8.270 nan 0.000 0.432 301 P HA -0.161 nan 4.420 nan 0.000 0.226 301 P C 0.716 177.903 177.300 -0.188 0.000 1.146 301 P CA 1.788 64.653 63.100 -0.391 0.000 0.773 301 P CB -0.097 31.452 31.700 -0.252 0.000 0.772 302 D N -2.765 117.525 120.400 -0.184 0.000 2.378 302 D HA -0.176 4.463 4.640 -0.001 0.000 0.227 302 D C 1.581 177.855 176.300 -0.043 0.000 1.012 302 D CA -0.332 53.602 54.000 -0.111 0.000 0.905 302 D CB -1.097 39.567 40.800 -0.227 0.000 0.895 302 D HN 0.220 nan 8.370 nan 0.000 0.532 303 W N 1.949 123.116 121.300 -0.222 0.000 2.292 303 W HA -0.326 4.333 4.660 -0.001 0.000 0.304 303 W C 2.124 178.599 176.519 -0.075 0.000 1.228 303 W CA 2.383 59.626 57.345 -0.169 0.000 1.241 303 W CB -0.348 28.990 29.460 -0.204 0.000 1.142 303 W HN 0.071 nan 8.180 nan 0.000 0.520 304 A N -0.351 122.310 122.820 -0.264 0.000 1.933 304 A HA -0.165 4.154 4.320 -0.001 0.000 0.218 304 A C 1.948 179.458 177.584 -0.123 0.000 1.175 304 A CA 1.562 53.324 52.037 -0.459 0.000 0.628 304 A CB -1.306 17.754 19.000 0.100 0.000 0.814 304 A HN 0.564 nan 8.150 nan 0.000 0.444 305 F N 0.113 119.871 119.950 -0.321 0.000 2.219 305 F HA -0.003 4.523 4.527 -0.001 0.000 0.294 305 F C 2.299 177.843 175.800 -0.428 0.000 1.086 305 F CA 1.733 59.271 58.000 -0.770 0.000 1.330 305 F CB -0.128 38.178 39.000 -1.156 0.000 1.047 305 F HN 0.249 nan 8.300 nan 0.000 0.495 306 Q N -0.622 118.979 119.800 -0.331 0.000 2.398 306 Q HA -0.028 4.312 4.340 -0.001 0.000 0.204 306 Q C 1.851 177.666 176.000 -0.309 0.000 0.932 306 Q CA 1.050 56.665 55.803 -0.313 0.000 0.916 306 Q CB 0.058 28.709 28.738 -0.146 0.000 1.024 306 Q HN 0.446 nan 8.270 nan 0.000 0.504 307 S N -1.331 114.132 115.700 -0.395 0.000 2.556 307 S HA 0.204 4.673 4.470 -0.001 0.000 0.216 307 S C 0.571 174.974 174.600 -0.328 0.000 0.970 307 S CA -0.582 57.412 58.200 -0.342 0.000 0.912 307 S CB 0.562 63.502 63.200 -0.433 0.000 0.790 307 S HN -0.075 nan 8.310 nan 0.000 0.504 308 S N 1.189 116.681 115.700 -0.347 0.000 2.664 308 S HA 0.521 4.990 4.470 -0.001 0.000 0.304 308 S C 0.228 174.610 174.600 -0.363 0.000 1.099 308 S CA -0.754 57.288 58.200 -0.263 0.000 1.003 308 S CB 1.610 64.733 63.200 -0.128 0.000 1.092 308 S HN 0.192 nan 8.310 nan 0.000 0.525 309 E N 0.916 120.880 120.200 -0.392 0.000 2.413 309 E HA 0.120 4.469 4.350 -0.001 0.000 0.203 309 E C 0.363 176.453 176.600 -0.850 0.000 0.957 309 E CA 0.532 56.590 56.400 -0.571 0.000 0.950 309 E CB 0.668 30.166 29.700 -0.336 0.000 0.957 309 E HN 0.789 nan 8.360 nan 0.000 0.497 310 T N -2.106 112.115 114.554 -0.554 0.000 2.893 310 T HA 0.333 4.682 4.350 -0.001 0.000 0.293 310 T C 0.882 175.576 174.700 -0.010 0.000 1.027 310 T CA -0.680 61.185 62.100 -0.392 0.000 0.988 310 T CB 1.986 70.755 68.868 -0.166 0.000 1.043 310 T HN -0.222 nan 8.240 nan 0.000 0.461 311 M N 1.675 121.282 119.600 0.011 0.000 2.116 311 M HA -0.155 4.325 4.480 -0.001 0.000 0.255 311 M C 1.844 178.172 176.300 0.047 0.000 1.075 311 M CA 2.033 57.300 55.300 -0.055 0.000 1.087 311 M CB -0.890 31.139 32.600 -0.952 0.000 1.340 311 M HN 0.835 nan 8.290 nan 0.000 0.402 312 E N -0.661 119.588 120.200 0.082 0.000 2.072 312 E HA -0.122 4.227 4.350 -0.001 0.000 0.191 312 E C 2.051 178.818 176.600 0.278 0.000 0.985 312 E CA 1.193 57.755 56.400 0.270 0.000 0.801 312 E CB -0.422 29.438 29.700 0.267 0.000 0.750 312 E HN 0.679 nan 8.360 nan 0.000 0.452 313 A N 1.572 124.508 122.820 0.193 0.000 1.898 313 A HA -0.164 4.155 4.320 -0.001 0.000 0.216 313 A C 1.993 179.706 177.584 0.215 0.000 1.181 313 A CA 0.977 53.108 52.037 0.157 0.000 0.620 313 A CB -0.682 18.351 19.000 0.055 0.000 0.819 313 A HN 0.316 nan 8.150 nan 0.000 0.442 314 F N -0.301 119.723 119.950 0.123 0.000 2.095 314 F HA -0.212 4.314 4.527 -0.001 0.000 0.298 314 F C 2.022 177.986 175.800 0.274 0.000 1.104 314 F CA 1.582 59.674 58.000 0.154 0.000 1.232 314 F CB -0.944 38.207 39.000 0.251 0.000 0.987 314 F HN 0.296 nan 8.300 nan 0.000 0.475 315 Y N 0.883 121.115 120.300 -0.112 0.000 2.293 315 Y HA -0.132 4.418 4.550 -0.001 0.000 0.291 315 Y C 2.681 178.684 175.900 0.171 0.000 1.137 315 Y CA 1.709 59.774 58.100 -0.058 0.000 1.202 315 Y CB -0.842 37.769 38.460 0.253 0.000 0.990 315 Y HN 0.336 nan 8.280 nan 0.000 0.537 316 E N 0.191 120.579 120.200 0.314 0.000 2.072 316 E HA -0.188 4.162 4.350 -0.001 0.000 0.190 316 E C 1.901 178.636 176.600 0.225 0.000 0.982 316 E CA 1.079 57.647 56.400 0.280 0.000 0.803 316 E CB 0.018 29.866 29.700 0.246 0.000 0.755 316 E HN 0.362 nan 8.360 nan 0.000 0.453 317 K N 0.360 120.861 120.400 0.168 0.000 2.147 317 K HA -0.136 4.183 4.320 -0.001 0.000 0.205 317 K C 2.092 178.855 176.600 0.270 0.000 1.049 317 K CA 1.252 57.641 56.287 0.169 0.000 0.936 317 K CB 0.013 32.440 32.500 -0.121 0.000 0.722 317 K HN 0.212 nan 8.250 nan 0.000 0.446 318 E N 0.898 121.209 120.200 0.185 0.000 2.107 318 E HA -0.159 4.190 4.350 -0.001 0.000 0.191 318 E C 2.111 178.805 176.600 0.157 0.000 0.982 318 E CA 0.618 57.164 56.400 0.244 0.000 0.809 318 E CB -0.054 29.689 29.700 0.072 0.000 0.756 318 E HN 0.234 nan 8.360 nan 0.000 0.459 319 L N 1.268 122.613 121.223 0.203 0.000 1.994 319 L HA -0.265 4.074 4.340 -0.001 0.000 0.208 319 L C 2.425 179.411 176.870 0.193 0.000 1.071 319 L CA 1.579 56.544 54.840 0.210 0.000 0.745 319 L CB -0.112 42.148 42.059 0.336 0.000 0.892 319 L HN 0.089 nan 8.230 nan 0.000 0.431 320 Q N -1.361 118.581 119.800 0.237 0.000 2.234 320 Q HA -0.248 4.092 4.340 -0.001 0.000 0.206 320 Q C 1.955 178.099 176.000 0.239 0.000 0.980 320 Q CA 1.963 57.900 55.803 0.222 0.000 0.869 320 Q CB -0.166 28.703 28.738 0.219 0.000 0.912 320 Q HN 0.566 nan 8.270 nan 0.000 0.436 321 F N -1.245 118.776 119.950 0.119 0.000 2.179 321 F HA -0.070 4.456 4.527 -0.001 0.000 0.292 321 F C 1.150 176.997 175.800 0.078 0.000 1.089 321 F CA 0.934 58.977 58.000 0.072 0.000 1.295 321 F CB -0.046 38.970 39.000 0.026 0.000 1.041 321 F HN 0.002 nan 8.300 nan 0.000 0.487 322 W N -0.949 120.466 121.300 0.191 0.000 2.640 322 W HA 0.131 4.790 4.660 -0.001 0.000 0.268 322 W C 1.947 178.341 176.519 -0.209 0.000 1.263 322 W CA 0.878 58.182 57.345 -0.068 0.000 1.344 322 W CB -0.208 28.945 29.460 -0.513 0.000 1.093 322 W HN -0.223 nan 8.180 nan 0.000 0.603 323 V N -1.053 118.911 119.914 0.083 0.000 3.307 323 V HA 0.499 4.618 4.120 -0.001 0.000 0.244 323 V C 0.986 177.094 176.094 0.024 0.000 1.196 323 V CA 1.159 63.502 62.300 0.073 0.000 1.132 323 V CB 0.032 31.970 31.823 0.190 0.000 0.875 323 V HN 0.143 nan 8.190 nan 0.000 0.468 324 G N -0.101 108.746 108.800 0.079 0.000 2.462 324 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.685 324 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.685 324 G C 0.331 175.290 174.900 0.098 0.000 1.295 324 G CA -0.057 45.087 45.100 0.072 0.000 0.941 324 G HN 0.042 nan 8.290 nan 0.000 0.554 325 S N -0.730 115.017 115.700 0.078 0.000 2.481 325 S HA -0.017 4.452 4.470 -0.001 0.000 0.231 325 S C 2.381 177.025 174.600 0.073 0.000 0.996 325 S CA 1.963 60.212 58.200 0.082 0.000 0.942 325 S CB -0.163 63.074 63.200 0.062 0.000 0.768 325 S HN 0.814 nan 8.310 nan 0.000 0.520 326 T N 0.870 115.455 114.554 0.051 0.000 2.867 326 T HA 0.111 4.460 4.350 -0.001 0.000 0.268 326 T C 1.672 176.427 174.700 0.091 0.000 1.057 326 T CA 1.115 63.246 62.100 0.051 0.000 1.136 326 T CB -0.594 68.287 68.868 0.022 0.000 0.874 326 T HN 0.618 nan 8.240 nan 0.000 0.466 327 G N 1.908 110.782 108.800 0.123 0.000 2.155 327 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.257 327 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.257 327 G C 0.086 175.095 174.900 0.181 0.000 0.983 327 G CA 0.309 45.520 45.100 0.185 0.000 0.676 327 G HN 0.595 nan 8.290 nan 0.000 0.528 328 N N -0.261 118.512 118.700 0.121 0.000 2.558 328 N HA 0.380 5.119 4.740 -0.001 0.000 0.285 328 N C -1.122 174.434 175.510 0.076 0.000 1.112 328 N CA -1.587 51.522 53.050 0.099 0.000 0.857 328 N CB 2.054 40.581 38.487 0.065 0.000 1.376 328 N HN -0.040 nan 8.380 nan 0.000 0.526 329 P HA -0.119 nan 4.420 nan 0.000 0.218 329 P C 0.778 178.113 177.300 0.058 0.000 1.146 329 P CA 0.951 64.142 63.100 0.151 0.000 0.813 329 P CB 0.417 32.325 31.700 0.347 0.000 0.778 330 A N -0.235 122.586 122.820 0.001 0.000 2.021 330 A HA -0.009 4.311 4.320 -0.001 0.000 0.216 330 A C 1.219 178.777 177.584 -0.042 0.000 1.163 330 A CA 0.798 52.807 52.037 -0.047 0.000 0.676 330 A CB -0.222 18.721 19.000 -0.096 0.000 0.818 330 A HN 0.045 nan 8.150 nan 0.000 0.453 331 E N 1.863 122.049 120.200 -0.023 0.000 2.751 331 E HA 0.203 4.553 4.350 -0.001 0.000 0.219 331 E C -0.768 175.814 176.600 -0.031 0.000 1.060 331 E CA -0.139 56.246 56.400 -0.024 0.000 0.893 331 E CB 0.193 29.889 29.700 -0.007 0.000 1.300 331 E HN 0.473 nan 8.360 nan 0.000 0.433 332 T N -1.355 113.172 114.554 -0.044 0.000 2.907 332 T HA 0.282 4.631 4.350 -0.001 0.000 0.284 332 T C 0.057 174.700 174.700 -0.095 0.000 1.004 332 T CA -0.949 61.111 62.100 -0.067 0.000 1.063 332 T CB 1.947 70.779 68.868 -0.060 0.000 0.992 332 T HN -0.049 nan 8.240 nan 0.000 0.483 333 D N 1.391 121.676 120.400 -0.191 0.000 2.479 333 D HA 0.315 4.954 4.640 -0.001 0.000 0.218 333 D C 1.397 177.440 176.300 -0.429 0.000 1.131 333 D CA -0.605 53.268 54.000 -0.212 0.000 0.916 333 D CB 0.163 40.881 40.800 -0.137 0.000 1.022 333 D HN 0.762 nan 8.370 nan 0.000 0.515 334 G N 2.601 111.107 108.800 -0.490 0.000 2.708 334 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.210 334 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.210 334 G C 1.027 175.718 174.900 -0.349 0.000 1.141 334 G CA 0.325 44.943 45.100 -0.805 0.000 0.788 334 G HN 0.514 nan 8.290 nan 0.000 0.531 335 Q N -0.179 119.499 119.800 -0.204 0.000 2.396 335 Q HA 0.158 4.498 4.340 -0.001 0.000 0.209 335 Q C 1.440 177.401 176.000 -0.065 0.000 0.906 335 Q CA -0.231 55.522 55.803 -0.084 0.000 0.927 335 Q CB 0.477 29.189 28.738 -0.043 0.000 1.069 335 Q HN 0.356 nan 8.270 nan 0.000 0.523 336 S N 0.870 116.499 115.700 -0.118 0.000 2.566 336 S HA -0.017 4.453 4.470 -0.001 0.000 0.280 336 S C 1.043 175.648 174.600 0.009 0.000 1.343 336 S CA -0.401 57.764 58.200 -0.058 0.000 1.036 336 S CB 0.529 63.674 63.200 -0.092 0.000 0.866 336 S HN 0.229 nan 8.310 nan 0.000 0.526 337 N N 2.165 120.922 118.700 0.095 0.000 2.149 337 N HA -0.081 4.659 4.740 -0.001 0.000 0.188 337 N C -0.015 175.698 175.510 0.338 0.000 1.019 337 N CA 1.048 54.220 53.050 0.203 0.000 0.857 337 N CB -0.091 38.505 38.487 0.180 0.000 0.997 337 N HN 0.777 nan 8.380 nan 0.000 0.426 338 W N 1.531 122.836 121.300 0.009 0.000 2.483 338 W HA 0.284 4.944 4.660 -0.001 0.000 0.291 338 W C -2.326 174.045 176.519 -0.246 0.000 0.997 338 W CA -1.771 55.542 57.345 -0.053 0.000 1.591 338 W CB 1.342 30.756 29.460 -0.077 0.000 1.434 338 W HN 0.001 nan 8.180 nan 0.000 0.420 339 P HA 0.005 nan 4.420 nan 0.000 0.223 339 P C 0.674 177.544 177.300 -0.715 0.000 1.151 339 P CA 1.636 64.244 63.100 -0.820 0.000 0.787 339 P CB 0.377 31.170 31.700 -1.512 0.000 0.788 340 G N -1.161 107.123 108.800 -0.859 0.000 2.690 340 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.686 340 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.686 340 G C 0.424 174.995 174.900 -0.550 0.000 1.277 340 G CA -0.362 44.411 45.100 -0.545 0.000 0.799 340 G HN -0.153 nan 8.290 nan 0.000 0.613 341 M N 0.912 120.295 119.600 -0.363 0.000 2.296 341 M HA -0.012 4.467 4.480 -0.001 0.000 0.265 341 M C 2.901 179.035 176.300 -0.276 0.000 1.064 341 M CA 2.239 57.441 55.300 -0.163 0.000 1.109 341 M CB -1.696 30.871 32.600 -0.054 0.000 1.396 341 M HN 1.301 nan 8.290 nan 0.000 0.430 342 A N -1.062 121.425 122.820 -0.555 0.000 2.070 342 A HA -0.214 4.106 4.320 -0.001 0.000 0.220 342 A C 1.975 179.381 177.584 -0.298 0.000 1.159 342 A CA 1.867 53.648 52.037 -0.427 0.000 0.656 342 A CB -1.123 17.764 19.000 -0.188 0.000 0.800 342 A HN 0.574 nan 8.150 nan 0.000 0.453 343 H N -2.276 116.431 119.070 -0.604 0.000 2.421 343 H HA -0.129 4.427 4.556 -0.001 0.000 0.298 343 H C 1.434 176.174 175.328 -0.981 0.000 1.087 343 H CA 2.108 57.612 56.048 -0.906 0.000 1.330 343 H CB -0.019 28.860 29.762 -1.473 0.000 1.388 343 H HN 0.669 nan 8.280 nan 0.000 0.526 344 W N -1.424 119.566 121.300 -0.517 0.000 2.873 344 W HA 0.237 4.896 4.660 -0.001 0.000 0.282 344 W C -0.600 175.430 176.519 -0.815 0.000 1.118 344 W CA -0.189 56.628 57.345 -0.880 0.000 1.480 344 W CB 0.206 28.810 29.460 -1.426 0.000 0.954 344 W HN -0.044 nan 8.180 nan 0.000 0.591 345 F N 1.350 121.291 119.950 -0.016 0.000 2.493 345 F HA 0.422 4.948 4.527 -0.001 0.000 0.329 345 F C -2.095 173.838 175.800 0.221 0.000 1.126 345 F CA -2.637 55.437 58.000 0.123 0.000 0.937 345 F CB 0.934 40.083 39.000 0.249 0.000 1.146 345 F HN -0.456 nan 8.300 nan 0.000 0.442 346 P HA 0.118 nan 4.420 nan 0.000 0.266 346 P C -0.772 176.804 177.300 0.461 0.000 1.195 346 P CA -0.167 63.136 63.100 0.338 0.000 0.768 346 P CB 0.597 32.429 31.700 0.220 0.000 0.838 347 A N 3.628 126.694 122.820 0.411 0.000 2.401 347 A HA 0.368 4.688 4.320 -0.001 0.000 0.259 347 A C 0.228 177.867 177.584 0.090 0.000 1.103 347 A CA -0.159 51.954 52.037 0.127 0.000 0.789 347 A CB 0.030 19.047 19.000 0.029 0.000 1.035 347 A HN 0.342 nan 8.150 nan 0.000 0.491 348 K N 1.101 121.533 120.400 0.054 0.000 2.166 348 K HA 0.671 4.991 4.320 -0.001 0.000 0.245 348 K C -0.485 176.095 176.600 -0.034 0.000 0.967 348 K CA -0.489 55.822 56.287 0.040 0.000 0.863 348 K CB 1.686 34.240 32.500 0.091 0.000 1.107 348 K HN 0.558 nan 8.250 nan 0.000 0.436 349 S N -0.455 115.206 115.700 -0.064 0.000 2.541 349 S HA 0.270 4.739 4.470 -0.001 0.000 0.280 349 S C -0.135 174.412 174.600 -0.088 0.000 1.112 349 S CA -0.470 57.661 58.200 -0.115 0.000 0.925 349 S CB 1.627 64.703 63.200 -0.206 0.000 1.067 349 S HN 0.587 nan 8.310 nan 0.000 0.479 350 T N 2.670 117.176 114.554 -0.079 0.000 3.134 350 T HA 0.376 4.725 4.350 -0.001 0.000 0.260 350 T C 0.573 175.207 174.700 -0.109 0.000 1.027 350 T CA 0.343 62.409 62.100 -0.057 0.000 0.913 350 T CB -0.541 68.321 68.868 -0.009 0.000 1.046 350 T HN 0.755 nan 8.240 nan 0.000 0.553 351 A N 1.647 124.294 122.820 -0.287 0.000 3.051 351 A HA 0.362 4.682 4.320 -0.001 0.000 0.257 351 A C 1.416 178.753 177.584 -0.412 0.000 1.785 351 A CA 0.109 51.757 52.037 -0.648 0.000 1.420 351 A CB -1.069 17.084 19.000 -1.412 0.000 1.063 351 A HN 0.546 nan 8.150 nan 0.000 0.630 352 T N -3.202 111.237 114.554 -0.192 0.000 3.145 352 T HA 0.434 4.784 4.350 -0.001 0.000 0.281 352 T C 0.222 174.881 174.700 -0.069 0.000 1.003 352 T CA 0.324 62.350 62.100 -0.123 0.000 0.901 352 T CB -0.097 68.725 68.868 -0.077 0.000 1.112 352 T HN 0.658 nan 8.240 nan 0.000 0.535 353 S N 0.453 116.126 115.700 -0.046 0.000 2.533 353 S HA 0.630 5.100 4.470 -0.001 0.000 0.271 353 S C -1.221 173.398 174.600 0.031 0.000 1.143 353 S CA -0.520 57.679 58.200 -0.002 0.000 0.891 353 S CB 1.786 64.996 63.200 0.016 0.000 1.105 353 S HN 0.193 nan 8.310 nan 0.000 0.468 354 V N 4.970 124.899 119.914 0.024 0.000 2.481 354 V HA 0.532 4.652 4.120 -0.001 0.000 0.286 354 V C -1.942 174.175 176.094 0.038 0.000 1.042 354 V CA -1.424 60.898 62.300 0.037 0.000 0.928 354 V CB 0.961 32.794 31.823 0.016 0.000 0.986 354 V HN 0.854 nan 8.190 nan 0.000 0.462 355 P HA 0.335 nan 4.420 nan 0.000 0.279 355 P C -1.076 176.272 177.300 0.080 0.000 1.239 355 P CA -0.328 62.798 63.100 0.043 0.000 0.789 355 P CB 0.393 32.106 31.700 0.021 0.000 0.933 356 F N 3.563 123.456 119.950 -0.094 0.000 2.404 356 F HA 0.504 5.031 4.527 -0.001 0.000 0.354 356 F C -1.073 174.617 175.800 -0.184 0.000 1.122 356 F CA -0.780 57.131 58.000 -0.149 0.000 1.080 356 F CB 0.954 39.831 39.000 -0.205 0.000 1.131 356 F HN 0.035 nan 8.300 nan 0.000 0.471 357 V N 4.997 124.349 119.914 -0.938 0.000 2.638 357 V HA 0.616 4.736 4.120 -0.001 0.000 0.306 357 V C -0.471 174.989 176.094 -1.058 0.000 1.052 357 V CA -0.619 61.180 62.300 -0.836 0.000 0.885 357 V CB 1.890 33.455 31.823 -0.429 0.000 0.999 357 V HN 0.849 nan 8.190 nan 0.000 0.424 358 T N 1.693 115.621 114.554 -1.044 0.000 2.916 358 T HA 0.584 4.933 4.350 -0.001 0.000 0.305 358 T C -0.504 173.660 174.700 -0.894 0.000 1.119 358 T CA -0.284 61.299 62.100 -0.861 0.000 1.008 358 T CB 1.367 69.718 68.868 -0.862 0.000 1.129 358 T HN 0.802 nan 8.240 nan 0.000 0.480 359 H N 2.727 121.511 119.070 -0.476 0.000 2.674 359 H HA 0.392 4.948 4.556 -0.001 0.000 0.274 359 H C -0.174 175.233 175.328 0.132 0.000 1.121 359 H CA -0.359 55.572 56.048 -0.195 0.000 1.132 359 H CB -0.140 29.457 29.762 -0.276 0.000 1.606 359 H HN 0.646 nan 8.280 nan 0.000 0.558 360 F N 0.002 120.056 119.950 0.174 0.000 3.090 360 F HA -0.292 4.234 4.527 -0.001 0.000 0.282 360 F C 0.438 176.366 175.800 0.213 0.000 0.923 360 F CA 0.115 58.284 58.000 0.281 0.000 0.977 360 F CB -1.645 37.578 39.000 0.370 0.000 0.954 360 F HN 0.338 nan 8.300 nan 0.000 0.695 361 N N 1.337 120.196 118.700 0.265 0.000 2.420 361 N HA 0.092 4.831 4.740 -0.001 0.000 0.262 361 N C 1.252 176.881 175.510 0.199 0.000 1.144 361 N CA 0.903 54.103 53.050 0.250 0.000 0.952 361 N CB 1.138 39.776 38.487 0.251 0.000 1.081 361 N HN 0.347 nan 8.380 nan 0.000 0.480 362 T N 0.603 115.255 114.554 0.162 0.000 3.088 362 T HA 0.206 4.555 4.350 -0.001 0.000 0.259 362 T C 1.213 176.013 174.700 0.167 0.000 1.122 362 T CA 0.667 62.819 62.100 0.086 0.000 1.095 362 T CB 0.054 68.943 68.868 0.036 0.000 0.930 362 T HN 0.624 nan 8.240 nan 0.000 0.508 363 G N 0.768 109.692 108.800 0.206 0.000 2.253 363 G HA2 -0.111 3.849 3.960 -0.001 0.000 0.209 363 G HA3 -0.111 3.849 3.960 -0.001 0.000 0.209 363 G C 0.234 175.039 174.900 -0.158 0.000 0.997 363 G CA 0.193 45.396 45.100 0.172 0.000 0.640 363 G HN 1.465 nan 8.290 nan 0.000 0.496 364 S N -1.139 114.329 115.700 -0.386 0.000 2.671 364 S HA 0.960 5.429 4.470 -0.001 0.000 0.277 364 S C -0.256 173.915 174.600 -0.714 0.000 1.165 364 S CA 0.330 57.941 58.200 -0.981 0.000 0.822 364 S CB 2.212 65.124 63.200 -0.480 0.000 1.150 364 S HN 2.024 nan 8.310 nan 0.000 0.479 365 G N -1.064 107.184 108.800 -0.920 0.000 2.646 365 G HA2 0.675 4.635 3.960 -0.001 0.000 0.291 365 G HA3 0.675 4.635 3.960 -0.001 0.000 0.291 365 G C -0.024 174.508 174.900 -0.613 0.000 1.445 365 G CA -0.235 44.673 45.100 -0.320 0.000 0.814 365 G HN 1.353 nan 8.290 nan 0.000 0.495 366 A N -0.599 121.774 122.820 -0.745 0.000 2.275 366 A HA 0.552 4.871 4.320 -0.001 0.000 0.212 366 A C 0.752 178.297 177.584 -0.066 0.000 1.201 366 A CA 1.221 52.895 52.037 -0.605 0.000 0.843 366 A CB 0.004 18.599 19.000 -0.675 0.000 0.873 366 A HN 0.887 nan 8.150 nan 0.000 0.492 367 Q N -1.471 118.444 119.800 0.191 0.000 2.721 367 Q HA 0.343 4.683 4.340 -0.001 0.000 0.282 367 Q C -2.449 173.833 176.000 0.470 0.000 0.932 367 Q CA -0.522 55.449 55.803 0.280 0.000 0.816 367 Q CB 0.662 29.484 28.738 0.140 0.000 1.506 367 Q HN 0.162 nan 8.270 nan 0.000 0.399 368 F N 1.207 121.249 119.950 0.154 0.000 2.518 368 F HA 0.625 5.151 4.527 -0.001 0.000 0.323 368 F C -0.864 174.924 175.800 -0.021 0.000 1.129 368 F CA -0.151 57.843 58.000 -0.010 0.000 0.920 368 F CB 2.083 40.867 39.000 -0.360 0.000 1.160 368 F HN 0.422 nan 8.300 nan 0.000 0.440 369 S N 3.481 119.164 115.700 -0.029 0.000 2.549 369 S HA 0.908 5.377 4.470 -0.001 0.000 0.297 369 S C -0.846 173.752 174.600 -0.003 0.000 1.115 369 S CA -0.652 57.555 58.200 0.011 0.000 1.059 369 S CB 1.643 64.804 63.200 -0.065 0.000 1.046 369 S HN 0.805 nan 8.310 nan 0.000 0.506 370 A N 1.574 124.378 122.820 -0.027 0.000 2.343 370 A HA 0.677 4.997 4.320 -0.001 0.000 0.308 370 A C 0.038 177.418 177.584 -0.340 0.000 1.092 370 A CA -0.699 51.263 52.037 -0.124 0.000 0.751 370 A CB 0.152 19.176 19.000 0.040 0.000 1.203 370 A HN 0.923 nan 8.150 nan 0.000 0.452 371 E N 1.210 120.983 120.200 -0.712 0.000 2.365 371 E HA -0.303 4.046 4.350 -0.001 0.000 0.237 371 E C 1.088 177.267 176.600 -0.702 0.000 1.238 371 E CA 1.257 57.034 56.400 -1.039 0.000 0.718 371 E CB -1.480 28.006 29.700 -0.356 0.000 1.218 371 E HN 2.195 nan 8.360 nan 0.000 0.387 372 G N -0.199 108.173 108.800 -0.713 0.000 2.176 372 G HA2 -0.357 3.602 3.960 -0.001 0.000 0.253 372 G HA3 -0.357 3.602 3.960 -0.001 0.000 0.253 372 G C 0.174 175.135 174.900 0.102 0.000 0.979 372 G CA 0.639 45.664 45.100 -0.126 0.000 0.641 372 G HN 0.243 nan 8.290 nan 0.000 0.530 373 K N 1.110 121.506 120.400 -0.007 0.000 2.206 373 K HA 0.490 4.809 4.320 -0.001 0.000 0.264 373 K C 0.080 176.709 176.600 0.048 0.000 0.967 373 K CA -0.400 55.913 56.287 0.043 0.000 0.844 373 K CB 1.088 33.599 32.500 0.019 0.000 1.099 373 K HN 0.072 nan 8.250 nan 0.000 0.441 374 T N 1.916 116.514 114.554 0.073 0.000 2.867 374 T HA 0.011 4.360 4.350 -0.001 0.000 0.297 374 T C 1.107 175.865 174.700 0.097 0.000 0.989 374 T CA -0.109 62.046 62.100 0.092 0.000 1.159 374 T CB 0.318 69.236 68.868 0.084 0.000 0.928 374 T HN 0.501 nan 8.240 nan 0.000 0.538 375 V N 0.636 120.633 119.914 0.137 0.000 3.432 375 V HA 0.560 4.679 4.120 -0.001 0.000 0.298 375 V C 0.390 176.550 176.094 0.110 0.000 1.464 375 V CA -0.187 62.201 62.300 0.147 0.000 1.046 375 V CB 0.307 32.278 31.823 0.245 0.000 0.887 375 V HN 0.717 nan 8.190 nan 0.000 0.441 376 S N -0.186 115.580 115.700 0.109 0.000 2.543 376 S HA 0.458 4.927 4.470 -0.001 0.000 0.273 376 S C -0.180 174.494 174.600 0.122 0.000 1.152 376 S CA -0.357 57.893 58.200 0.084 0.000 0.910 376 S CB 2.128 65.341 63.200 0.021 0.000 1.105 376 S HN 0.223 nan 8.310 nan 0.000 0.465 377 E N 1.750 122.008 120.200 0.098 0.000 2.479 377 E HA 0.144 4.494 4.350 -0.001 0.000 0.193 377 E C -0.141 176.522 176.600 0.106 0.000 1.049 377 E CA 0.146 56.602 56.400 0.092 0.000 0.870 377 E CB 0.337 30.071 29.700 0.056 0.000 0.944 377 E HN 0.570 nan 8.360 nan 0.000 0.492 378 Q N 0.830 120.713 119.800 0.138 0.000 2.259 378 Q HA 0.175 4.515 4.340 -0.001 0.000 0.249 378 Q C 0.078 176.219 176.000 0.236 0.000 0.914 378 Q CA -0.070 55.824 55.803 0.151 0.000 0.904 378 Q CB 1.043 29.863 28.738 0.137 0.000 1.213 378 Q HN 0.140 nan 8.270 nan 0.000 0.428 379 E N 2.686 122.982 120.200 0.161 0.000 2.467 379 E HA 0.017 4.366 4.350 -0.001 0.000 0.264 379 E C -0.400 176.384 176.600 0.308 0.000 1.020 379 E CA 0.422 56.914 56.400 0.152 0.000 0.945 379 E CB 0.470 30.241 29.700 0.118 0.000 0.942 379 E HN 0.472 nan 8.360 nan 0.000 0.449 380 W N 1.591 122.988 121.300 0.162 0.000 3.213 380 W HA 0.419 5.078 4.660 -0.001 0.000 0.318 380 W C -1.562 175.073 176.519 0.194 0.000 1.248 380 W CA -1.139 56.301 57.345 0.160 0.000 1.187 380 W CB 0.342 29.912 29.460 0.183 0.000 1.403 380 W HN 0.562 nan 8.180 nan 0.000 0.556 381 N N 1.360 120.160 118.700 0.167 0.000 2.225 381 N HA 0.503 5.243 4.740 -0.001 0.000 0.298 381 N C -1.699 174.030 175.510 0.366 0.000 1.076 381 N CA -0.663 52.395 53.050 0.014 0.000 0.792 381 N CB 2.052 40.484 38.487 -0.091 0.000 1.498 381 N HN 0.416 nan 8.380 nan 0.000 0.474 382 N N 1.070 120.048 118.700 0.462 0.000 2.932 382 N HA 0.199 4.938 4.740 -0.001 0.000 0.242 382 N C -0.722 174.981 175.510 0.321 0.000 1.351 382 N CA -0.350 52.927 53.050 0.379 0.000 0.785 382 N CB 0.909 39.639 38.487 0.405 0.000 1.501 382 N HN 0.708 nan 8.380 nan 0.000 0.584 383 R N 0.356 120.970 120.500 0.189 0.000 2.357 383 R HA 0.091 4.431 4.340 -0.001 0.000 0.202 383 R C 1.100 177.485 176.300 0.143 0.000 1.047 383 R CA 0.616 56.820 56.100 0.174 0.000 1.034 383 R CB 0.146 30.535 30.300 0.149 0.000 0.875 383 R HN 0.318 nan 8.270 nan 0.000 0.473 384 S N 0.614 116.388 115.700 0.123 0.000 2.474 384 S HA 0.029 4.498 4.470 -0.001 0.000 0.235 384 S C 1.391 176.048 174.600 0.095 0.000 0.997 384 S CA 0.733 58.977 58.200 0.074 0.000 0.949 384 S CB 0.111 63.348 63.200 0.061 0.000 0.766 384 S HN 0.303 nan 8.310 nan 0.000 0.517 385 L N 0.733 122.063 121.223 0.180 0.000 2.640 385 L HA 0.237 4.576 4.340 -0.001 0.000 0.230 385 L C 0.961 178.001 176.870 0.284 0.000 1.123 385 L CA -0.040 54.940 54.840 0.234 0.000 0.900 385 L CB -0.096 42.092 42.059 0.215 0.000 1.146 385 L HN 0.254 nan 8.230 nan 0.000 0.484 386 Q N 1.637 121.581 119.800 0.240 0.000 2.289 386 Q HA 0.017 4.356 4.340 -0.001 0.000 0.273 386 Q C -0.579 175.526 176.000 0.176 0.000 1.029 386 Q CA -0.095 55.836 55.803 0.214 0.000 0.896 386 Q CB 0.820 29.683 28.738 0.207 0.000 1.182 386 Q HN 0.168 nan 8.270 nan 0.000 0.385 387 D N 2.160 122.653 120.400 0.156 0.000 2.377 387 D HA 0.101 4.741 4.640 -0.001 0.000 0.245 387 D C -0.396 175.957 176.300 0.089 0.000 1.196 387 D CA -0.279 53.778 54.000 0.095 0.000 0.962 387 D CB 0.988 41.795 40.800 0.011 0.000 1.127 387 D HN 0.325 nan 8.370 nan 0.000 0.471 388 V N 2.119 122.077 119.914 0.074 0.000 2.450 388 V HA 0.030 4.149 4.120 -0.001 0.000 0.281 388 V C 0.678 176.909 176.094 0.228 0.000 1.019 388 V CA 0.130 62.515 62.300 0.141 0.000 1.062 388 V CB -0.431 31.526 31.823 0.223 0.000 0.979 388 V HN 0.208 nan 8.190 nan 0.000 0.477 389 L N 6.696 128.026 121.223 0.177 0.000 2.400 389 L HA 0.488 4.828 4.340 -0.001 0.000 0.264 389 L C -2.204 174.605 176.870 -0.101 0.000 1.061 389 L CA -2.217 52.737 54.840 0.190 0.000 0.799 389 L CB 0.870 43.022 42.059 0.154 0.000 1.240 389 L HN 0.346 nan 8.230 nan 0.000 0.461 390 P HA -0.035 nan 4.420 nan 0.000 0.258 390 P C 0.505 177.198 177.300 -1.013 0.000 1.172 390 P CA 0.368 62.881 63.100 -0.978 0.000 0.762 390 P CB 0.430 31.825 31.700 -0.509 0.000 0.764 391 T N 1.938 115.801 114.554 -1.151 0.000 2.680 391 T HA -0.173 4.177 4.350 -0.001 0.000 0.268 391 T C 0.356 174.425 174.700 -1.052 0.000 1.033 391 T CA 1.358 62.709 62.100 -1.249 0.000 1.152 391 T CB -0.286 67.648 68.868 -1.556 0.000 0.859 391 T HN 0.429 nan 8.240 nan 0.000 0.452 392 W N 1.814 122.859 121.300 -0.425 0.000 2.475 392 W HA 0.515 5.175 4.660 -0.001 0.000 0.317 392 W C -0.203 176.039 176.519 -0.462 0.000 1.046 392 W CA -0.993 56.194 57.345 -0.263 0.000 1.215 392 W CB 0.543 29.919 29.460 -0.140 0.000 1.335 392 W HN -0.115 nan 8.180 nan 0.000 0.471 393 R N 3.051 123.409 120.500 -0.237 0.000 2.415 393 R HA 0.309 4.648 4.340 -0.001 0.000 0.292 393 R C -1.353 174.779 176.300 -0.279 0.000 1.295 393 R CA -0.380 55.158 56.100 -0.937 0.000 1.137 393 R CB 0.763 30.520 30.300 -0.905 0.000 1.135 393 R HN 0.444 nan 8.270 nan 0.000 0.560 394 W N 2.416 123.797 121.300 0.136 0.000 3.127 394 W HA 0.536 5.195 4.660 -0.001 0.000 0.330 394 W C -0.113 176.399 176.519 -0.012 0.000 1.187 394 W CA -0.620 56.755 57.345 0.049 0.000 1.198 394 W CB 1.667 31.121 29.460 -0.009 0.000 1.408 394 W HN 0.187 nan 8.180 nan 0.000 0.529 395 I N 3.351 124.012 120.570 0.152 0.000 2.390 395 I HA 0.266 4.436 4.170 -0.001 0.000 0.283 395 I C -0.426 175.532 176.117 -0.264 0.000 1.016 395 I CA -0.655 60.584 61.300 -0.103 0.000 1.151 395 I CB 0.793 38.636 38.000 -0.262 0.000 1.293 395 I HN 0.409 nan 8.210 nan 0.000 0.458 396 Q N 5.200 124.845 119.800 -0.259 0.000 2.416 396 Q HA 0.615 4.955 4.340 -0.001 0.000 0.279 396 Q C -1.186 174.573 176.000 -0.402 0.000 1.101 396 Q CA -1.052 54.574 55.803 -0.296 0.000 0.830 396 Q CB 2.632 31.378 28.738 0.013 0.000 1.402 396 Q HN 0.435 nan 8.270 nan 0.000 0.445 397 H N -0.099 118.982 119.070 0.018 0.000 2.689 397 H HA 0.565 5.121 4.556 -0.000 0.000 0.346 397 H C 0.231 175.572 175.328 0.022 0.000 1.037 397 H CA 0.036 56.084 56.048 -0.000 0.000 1.234 397 H CB 1.643 31.383 29.762 -0.037 0.000 1.572 397 H HN 0.939 nan 8.280 nan 0.000 0.524 398 G N 1.201 110.077 108.800 0.128 0.000 2.814 398 G HA2 0.272 4.231 3.960 -0.001 0.000 0.677 398 G HA3 0.272 4.231 3.960 -0.001 0.000 0.677 398 G C 0.288 175.202 174.900 0.023 0.000 1.429 398 G CA -0.019 45.117 45.100 0.061 0.000 0.868 398 G HN 1.422 nan 8.290 nan 0.000 0.553 399 G N -0.398 108.386 108.800 -0.027 0.000 2.877 399 G HA2 0.292 4.252 3.960 -0.001 0.000 0.279 399 G HA3 0.292 4.252 3.960 -0.001 0.000 0.279 399 G C -0.158 174.698 174.900 -0.072 0.000 1.431 399 G CA 0.987 46.039 45.100 -0.079 0.000 0.883 399 G HN 2.234 nan 8.290 nan 0.000 0.547 400 D N -0.258 120.077 120.400 -0.110 0.000 2.551 400 D HA 0.526 5.165 4.640 -0.001 0.000 0.294 400 D C -0.048 176.159 176.300 -0.155 0.000 1.201 400 D CA -0.482 53.457 54.000 -0.103 0.000 0.941 400 D CB 0.081 40.825 40.800 -0.094 0.000 0.995 400 D HN 0.353 nan 8.370 nan 0.000 0.502 401 L N 1.510 122.645 121.223 -0.147 0.000 2.322 401 L HA 0.598 4.937 4.340 -0.001 0.000 0.269 401 L C 0.048 176.833 176.870 -0.141 0.000 1.012 401 L CA -0.943 53.763 54.840 -0.224 0.000 0.815 401 L CB 1.708 43.587 42.059 -0.301 0.000 1.295 401 L HN 0.317 nan 8.230 nan 0.000 0.438 402 E N 0.980 121.035 120.200 -0.242 0.000 2.288 402 E HA 0.810 5.159 4.350 -0.001 0.000 0.268 402 E C -1.724 174.836 176.600 -0.067 0.000 0.885 402 E CA -0.889 55.414 56.400 -0.161 0.000 0.767 402 E CB 2.150 31.716 29.700 -0.223 0.000 1.220 402 E HN 0.675 nan 8.360 nan 0.000 0.427 403 A N 2.774 125.428 122.820 -0.276 0.000 2.343 403 A HA 0.705 5.024 4.320 -0.001 0.000 0.316 403 A C -0.558 176.413 177.584 -1.022 0.000 1.104 403 A CA -0.318 51.306 52.037 -0.687 0.000 0.768 403 A CB 1.990 20.292 19.000 -1.164 0.000 1.213 403 A HN 0.582 nan 8.150 nan 0.000 0.456 404 T N 0.643 114.757 114.554 -0.733 0.000 2.711 404 T HA 0.632 4.981 4.350 -0.001 0.000 0.302 404 T C -1.519 172.916 174.700 -0.442 0.000 1.373 404 T CA -0.407 61.470 62.100 -0.372 0.000 1.000 404 T CB 0.385 69.258 68.868 0.007 0.000 1.483 404 T HN 0.381 nan 8.240 nan 0.000 0.499 405 F N 2.135 122.061 119.950 -0.040 0.000 2.384 405 F HA 0.616 5.143 4.527 -0.001 0.000 0.338 405 F C 1.032 176.483 175.800 -0.581 0.000 1.103 405 F CA -0.195 57.585 58.000 -0.367 0.000 1.157 405 F CB 1.629 40.289 39.000 -0.566 0.000 1.167 405 F HN 0.412 nan 8.300 nan 0.000 0.529 406 S N 3.079 118.574 115.700 -0.340 0.000 2.482 406 S HA 0.366 4.835 4.470 -0.001 0.000 0.303 406 S C -0.312 174.091 174.600 -0.328 0.000 1.091 406 S CA -0.631 57.465 58.200 -0.174 0.000 1.057 406 S CB 0.680 63.982 63.200 0.169 0.000 1.031 406 S HN 0.699 nan 8.310 nan 0.000 0.485 407 W N 2.499 123.911 121.300 0.187 0.000 3.123 407 W HA 0.288 4.948 4.660 -0.001 0.000 0.383 407 W C 0.760 177.304 176.519 0.041 0.000 1.102 407 W CA -0.306 57.114 57.345 0.126 0.000 1.865 407 W CB 0.323 29.877 29.460 0.158 0.000 1.111 407 W HN 0.722 nan 8.180 nan 0.000 0.621 408 E N 0.425 120.720 120.200 0.159 0.000 2.276 408 E HA 0.012 4.361 4.350 -0.001 0.000 0.193 408 E C 0.416 176.994 176.600 -0.038 0.000 0.983 408 E CA 0.990 57.417 56.400 0.044 0.000 0.861 408 E CB 0.541 30.240 29.700 -0.000 0.000 0.817 408 E HN 0.124 nan 8.360 nan 0.000 0.485 409 E N -0.063 120.101 120.200 -0.059 0.000 2.248 409 E HA 0.665 5.014 4.350 -0.001 0.000 0.267 409 E C -1.043 175.697 176.600 0.234 0.000 0.877 409 E CA -0.710 55.682 56.400 -0.014 0.000 0.759 409 E CB 2.410 31.836 29.700 -0.458 0.000 1.182 409 E HN -0.002 nan 8.360 nan 0.000 0.418 410 A N 2.219 125.246 122.820 0.346 0.000 2.574 410 A HA 0.554 4.874 4.320 -0.001 0.000 0.297 410 A C -0.955 176.629 177.584 -0.001 0.000 1.062 410 A CA -0.652 51.503 52.037 0.196 0.000 0.686 410 A CB 0.777 19.827 19.000 0.083 0.000 1.285 410 A HN 0.642 nan 8.150 nan 0.000 0.403 411 F N 0.504 120.159 119.950 -0.490 0.000 2.453 411 F HA 0.362 4.889 4.527 -0.001 0.000 0.284 411 F C 0.249 175.848 175.800 -0.335 0.000 1.065 411 F CA 0.702 58.233 58.000 -0.781 0.000 1.411 411 F CB 0.562 38.896 39.000 -1.109 0.000 1.131 411 F HN 0.477 nan 8.300 nan 0.000 0.582 412 E N 0.668 120.743 120.200 -0.209 0.000 2.265 412 E HA 0.472 4.821 4.350 -0.001 0.000 0.262 412 E C 0.116 176.535 176.600 -0.302 0.000 0.889 412 E CA 0.330 56.563 56.400 -0.278 0.000 0.789 412 E CB 1.172 30.654 29.700 -0.363 0.000 1.221 412 E HN 0.464 nan 8.360 nan 0.000 0.414 413 G N 2.404 110.752 108.800 -0.753 0.000 2.516 413 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.220 413 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.220 413 G C 0.454 174.969 174.900 -0.641 0.000 1.165 413 G CA -0.077 44.269 45.100 -1.258 0.000 1.013 413 G HN 0.647 nan 8.290 nan 0.000 0.590 414 G N -0.341 108.510 108.800 0.085 0.000 3.342 414 G HA2 0.678 4.637 3.960 -0.001 0.000 0.252 414 G HA3 0.678 4.637 3.960 -0.001 0.000 0.252 414 G C 0.331 175.426 174.900 0.326 0.000 1.011 414 G CA 1.624 46.950 45.100 0.378 0.000 0.869 414 G HN 2.008 nan 8.290 nan 0.000 0.514 415 S N -0.396 115.425 115.700 0.202 0.000 2.607 415 S HA 0.829 5.299 4.470 -0.001 0.000 0.273 415 S C -0.652 174.043 174.600 0.158 0.000 1.148 415 S CA -0.131 58.093 58.200 0.041 0.000 0.833 415 S CB 2.065 65.155 63.200 -0.182 0.000 1.130 415 S HN 0.789 nan 8.310 nan 0.000 0.470 416 S N 0.283 116.070 115.700 0.145 0.000 2.651 416 S HA 0.744 5.213 4.470 -0.001 0.000 0.279 416 S C -1.262 173.394 174.600 0.093 0.000 1.148 416 S CA -0.943 57.401 58.200 0.241 0.000 0.837 416 S CB 1.131 64.570 63.200 0.398 0.000 1.138 416 S HN 1.218 nan 8.310 nan 0.000 0.478 417 L N 1.894 122.990 121.223 -0.211 0.000 2.278 417 L HA 0.481 4.820 4.340 -0.001 0.000 0.287 417 L C 0.025 176.715 176.870 -0.299 0.000 1.072 417 L CA 0.101 54.662 54.840 -0.465 0.000 0.819 417 L CB 0.702 42.177 42.059 -0.973 0.000 1.176 417 L HN 0.885 nan 8.230 nan 0.000 0.435 418 Q N 4.545 124.162 119.800 -0.305 0.000 2.278 418 Q HA 0.263 4.602 4.340 -0.001 0.000 0.257 418 Q C -1.919 173.985 176.000 -0.160 0.000 0.928 418 Q CA -0.621 54.996 55.803 -0.310 0.000 0.932 418 Q CB 0.956 29.489 28.738 -0.341 0.000 1.221 418 Q HN 0.753 nan 8.270 nan 0.000 0.434 419 W N 6.021 127.153 121.300 -0.280 0.000 2.587 419 W HA 0.336 4.996 4.660 -0.001 0.000 0.324 419 W C -1.673 174.858 176.519 0.020 0.000 1.008 419 W CA -0.466 56.794 57.345 -0.143 0.000 1.265 419 W CB 0.426 29.797 29.460 -0.149 0.000 1.328 419 W HN 0.829 nan 8.180 nan 0.000 0.432 420 H N 3.267 122.219 119.070 -0.196 0.000 3.046 420 H HA 0.878 5.433 4.556 -0.001 0.000 0.361 420 H C 0.088 175.283 175.328 -0.222 0.000 1.235 420 H CA -0.499 55.399 56.048 -0.250 0.000 1.146 420 H CB 1.748 31.376 29.762 -0.223 0.000 1.859 420 H HN 0.745 nan 8.280 nan 0.000 0.548 421 G N 0.238 108.863 108.800 -0.292 0.000 2.292 421 G HA2 0.190 4.150 3.960 -0.001 0.000 0.194 421 G HA3 0.190 4.150 3.960 -0.001 0.000 0.194 421 G C -1.437 173.325 174.900 -0.230 0.000 1.329 421 G CA -0.378 44.540 45.100 -0.304 0.000 1.100 421 G HN 0.743 nan 8.290 nan 0.000 0.470 422 S N -0.081 115.488 115.700 -0.217 0.000 2.437 422 S HA 0.707 5.176 4.470 -0.001 0.000 0.305 422 S C -0.984 173.495 174.600 -0.201 0.000 1.109 422 S CA -0.293 57.791 58.200 -0.192 0.000 1.099 422 S CB 1.465 64.576 63.200 -0.148 0.000 1.004 422 S HN 1.011 nan 8.310 nan 0.000 0.475 423 L N 3.630 124.731 121.223 -0.204 0.000 2.457 423 L HA 0.662 5.001 4.340 -0.001 0.000 0.266 423 L C -0.090 176.683 176.870 -0.160 0.000 0.979 423 L CA -0.320 54.408 54.840 -0.186 0.000 0.857 423 L CB 0.928 42.860 42.059 -0.213 0.000 1.213 423 L HN 0.726 nan 8.230 nan 0.000 0.418 424 A N 3.518 126.256 122.820 -0.137 0.000 2.445 424 A HA 0.281 4.601 4.320 -0.001 0.000 0.242 424 A C 0.309 177.818 177.584 -0.125 0.000 1.075 424 A CA -0.210 51.754 52.037 -0.122 0.000 0.777 424 A CB 0.038 18.977 19.000 -0.102 0.000 1.013 424 A HN 0.773 nan 8.150 nan 0.000 0.493 425 E N 0.646 120.779 120.200 -0.111 0.000 2.608 425 E HA 0.214 4.564 4.350 -0.001 0.000 0.259 425 E C 1.316 177.845 176.600 -0.119 0.000 0.951 425 E CA 1.207 57.545 56.400 -0.103 0.000 0.945 425 E CB -0.074 29.577 29.700 -0.080 0.000 0.916 425 E HN 1.557 nan 8.360 nan 0.000 0.477 426 G N 3.356 112.072 108.800 -0.141 0.000 2.179 426 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.260 426 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.260 426 G C 0.180 174.883 174.900 -0.328 0.000 0.977 426 G CA 0.547 45.532 45.100 -0.191 0.000 0.641 426 G HN 0.657 nan 8.290 nan 0.000 0.533 427 E N 0.485 120.514 120.200 -0.285 0.000 2.283 427 E HA 0.549 4.898 4.350 -0.001 0.000 0.267 427 E C -0.335 176.042 176.600 -0.372 0.000 1.045 427 E CA -0.901 55.312 56.400 -0.311 0.000 0.884 427 E CB 0.560 30.160 29.700 -0.166 0.000 1.106 427 E HN 0.374 nan 8.360 nan 0.000 0.408 428 H N 0.585 119.618 119.070 -0.062 0.000 2.492 428 H HA 0.639 5.194 4.556 -0.001 0.000 0.345 428 H C -0.918 174.369 175.328 -0.069 0.000 1.136 428 H CA -0.663 55.340 56.048 -0.075 0.000 1.202 428 H CB 1.812 31.524 29.762 -0.083 0.000 1.524 428 H HN 0.553 nan 8.280 nan 0.000 0.506 429 A N 2.583 125.450 122.820 0.077 0.000 2.449 429 A HA 0.576 4.896 4.320 -0.001 0.000 0.302 429 A C -0.974 176.705 177.584 0.157 0.000 1.048 429 A CA -0.775 51.319 52.037 0.095 0.000 0.708 429 A CB 1.850 20.857 19.000 0.012 0.000 1.274 429 A HN 0.623 nan 8.150 nan 0.000 0.410 430 Q N 0.189 120.048 119.800 0.098 0.000 2.413 430 Q HA 0.733 5.073 4.340 -0.001 0.000 0.276 430 Q C -1.081 174.807 176.000 -0.187 0.000 1.099 430 Q CA -0.267 55.470 55.803 -0.111 0.000 0.814 430 Q CB 2.925 31.450 28.738 -0.354 0.000 1.379 430 Q HN 0.731 nan 8.270 nan 0.000 0.436 431 I N 0.650 120.936 120.570 -0.473 0.000 2.468 431 I HA 0.346 4.515 4.170 -0.001 0.000 0.285 431 I C -1.116 174.740 176.117 -0.434 0.000 1.039 431 I CA -0.537 60.419 61.300 -0.574 0.000 1.074 431 I CB 1.252 38.603 38.000 -1.081 0.000 1.228 431 I HN 0.610 nan 8.210 nan 0.000 0.436 432 E N 7.196 127.173 120.200 -0.372 0.000 2.130 432 E HA 0.265 4.615 4.350 -0.001 0.000 0.284 432 E C 0.131 176.818 176.600 0.146 0.000 1.018 432 E CA -0.220 55.999 56.400 -0.303 0.000 0.817 432 E CB 1.914 31.312 29.700 -0.503 0.000 1.078 432 E HN 0.680 nan 8.360 nan 0.000 0.396 433 L N 2.418 123.725 121.223 0.140 0.000 2.433 433 L HA 0.190 4.530 4.340 -0.001 0.000 0.200 433 L C -0.085 176.544 176.870 -0.401 0.000 1.059 433 L CA 0.344 55.164 54.840 -0.034 0.000 0.835 433 L CB 0.407 42.411 42.059 -0.092 0.000 1.076 433 L HN 0.511 nan 8.230 nan 0.000 0.481 434 Y N -0.187 120.037 120.300 -0.127 0.000 2.391 434 Y HA 0.408 4.958 4.550 -0.001 0.000 0.341 434 Y C -0.110 175.481 175.900 -0.515 0.000 0.965 434 Y CA -0.944 56.867 58.100 -0.481 0.000 1.067 434 Y CB 1.714 39.992 38.460 -0.304 0.000 1.199 434 Y HN -0.068 nan 8.280 nan 0.000 0.450 435 Q N 2.546 121.907 119.800 -0.732 0.000 2.286 435 Q HA 0.499 4.838 4.340 -0.001 0.000 0.257 435 Q C -0.341 175.530 176.000 -0.214 0.000 0.941 435 Q CA -0.088 55.555 55.803 -0.267 0.000 0.912 435 Q CB 0.875 29.470 28.738 -0.238 0.000 1.192 435 Q HN 0.786 nan 8.270 nan 0.000 0.410 436 T N 0.163 114.626 114.554 -0.152 0.000 2.778 436 T HA 0.606 4.955 4.350 -0.001 0.000 0.293 436 T C -0.941 173.661 174.700 -0.164 0.000 1.144 436 T CA -0.962 60.994 62.100 -0.239 0.000 1.010 436 T CB 1.495 70.171 68.868 -0.320 0.000 1.325 436 T HN 0.594 nan 8.240 nan 0.000 0.515 437 E N 0.808 120.901 120.200 -0.178 0.000 2.874 437 E HA 0.390 4.739 4.350 -0.001 0.000 0.320 437 E C -1.627 174.905 176.600 -0.113 0.000 1.141 437 E CA -0.378 55.952 56.400 -0.116 0.000 0.774 437 E CB 0.395 30.045 29.700 -0.083 0.000 1.542 437 E HN 0.607 nan 8.360 nan 0.000 0.380 438 L N 3.973 125.127 121.223 -0.114 0.000 2.318 438 L HA 0.501 4.840 4.340 -0.001 0.000 0.277 438 L C -2.369 174.461 176.870 -0.067 0.000 1.008 438 L CA -2.226 52.558 54.840 -0.093 0.000 0.846 438 L CB 1.337 43.330 42.059 -0.110 0.000 1.220 438 L HN 0.219 nan 8.230 nan 0.000 0.423 439 P HA 0.144 nan 4.420 nan 0.000 0.266 439 P C -0.366 176.919 177.300 -0.024 0.000 1.215 439 P CA 0.220 63.304 63.100 -0.027 0.000 0.763 439 P CB 0.402 32.093 31.700 -0.016 0.000 0.806 440 I N 2.600 123.158 120.570 -0.020 0.000 2.395 440 I HA 0.263 4.432 4.170 -0.001 0.000 0.289 440 I C 0.908 177.032 176.117 0.010 0.000 1.023 440 I CA 0.143 61.436 61.300 -0.012 0.000 1.350 440 I CB 0.800 38.796 38.000 -0.006 0.000 1.409 440 I HN 0.376 nan 8.210 nan 0.000 0.507 441 S N 3.594 119.299 115.700 0.010 0.000 2.661 441 S HA 0.483 4.952 4.470 -0.001 0.000 0.285 441 S C -0.733 173.878 174.600 0.018 0.000 1.138 441 S CA -1.114 57.095 58.200 0.015 0.000 0.855 441 S CB 1.524 64.731 63.200 0.010 0.000 1.136 441 S HN 0.565 nan 8.310 nan 0.000 0.484 442 E N 0.017 120.228 120.200 0.017 0.000 2.442 442 E HA 0.397 4.746 4.350 -0.001 0.000 0.262 442 E C 1.253 177.863 176.600 0.018 0.000 1.004 442 E CA 1.327 57.738 56.400 0.018 0.000 0.928 442 E CB 0.078 29.786 29.700 0.014 0.000 0.937 442 E HN 1.194 nan 8.360 nan 0.000 0.446 443 G N 2.696 111.509 108.800 0.021 0.000 2.195 443 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.246 443 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.246 443 G C 0.382 175.296 174.900 0.023 0.000 0.984 443 G CA 0.170 45.283 45.100 0.022 0.000 0.633 443 G HN 0.530 nan 8.290 nan 0.000 0.525 444 T N 2.031 116.597 114.554 0.020 0.000 2.749 444 T HA 0.591 4.940 4.350 -0.001 0.000 0.295 444 T C 0.158 174.867 174.700 0.016 0.000 0.936 444 T CA 0.601 62.709 62.100 0.013 0.000 1.060 444 T CB 1.454 70.322 68.868 -0.001 0.000 0.904 444 T HN 0.294 nan 8.240 nan 0.000 0.500 445 S N 2.708 118.423 115.700 0.026 0.000 2.566 445 S HA 0.556 5.025 4.470 -0.001 0.000 0.298 445 S C -0.486 174.150 174.600 0.059 0.000 1.083 445 S CA -0.791 57.437 58.200 0.048 0.000 0.978 445 S CB 1.222 64.464 63.200 0.071 0.000 1.073 445 S HN 0.534 nan 8.310 nan 0.000 0.491 446 L N 3.165 124.448 121.223 0.100 0.000 2.260 446 L HA 0.434 4.774 4.340 -0.001 0.000 0.289 446 L C 0.303 177.401 176.870 0.380 0.000 1.057 446 L CA -0.194 54.764 54.840 0.197 0.000 0.811 446 L CB 0.977 43.141 42.059 0.175 0.000 1.184 446 L HN 0.788 nan 8.230 nan 0.000 0.429 447 T N -0.224 114.538 114.554 0.347 0.000 2.912 447 T HA 0.739 5.088 4.350 -0.001 0.000 0.288 447 T C -0.914 174.153 174.700 0.612 0.000 1.030 447 T CA -0.695 61.621 62.100 0.360 0.000 1.020 447 T CB 1.715 70.667 68.868 0.140 0.000 1.056 447 T HN 0.633 nan 8.240 nan 0.000 0.480 448 W N -0.498 120.954 121.300 0.254 0.000 3.146 448 W HA 0.673 5.332 4.660 -0.001 0.000 0.319 448 W C -1.942 174.748 176.519 0.286 0.000 1.258 448 W CA -1.105 56.423 57.345 0.305 0.000 1.189 448 W CB 0.801 30.565 29.460 0.507 0.000 1.412 448 W HN 0.720 nan 8.180 nan 0.000 0.567 449 T N 3.344 118.124 114.554 0.377 0.000 2.937 449 T HA 0.629 4.979 4.350 -0.001 0.000 0.297 449 T C -1.308 173.681 174.700 0.481 0.000 0.991 449 T CA -0.492 61.683 62.100 0.126 0.000 0.990 449 T CB 0.840 69.435 68.868 -0.455 0.000 0.991 449 T HN 0.666 nan 8.240 nan 0.000 0.440 450 F N -0.051 120.107 119.950 0.347 0.000 2.662 450 F HA 0.833 5.360 4.527 -0.001 0.000 0.312 450 F C -1.241 174.605 175.800 0.076 0.000 1.113 450 F CA -1.380 56.847 58.000 0.379 0.000 0.951 450 F CB 1.506 40.661 39.000 0.258 0.000 1.344 450 F HN 0.195 nan 8.300 nan 0.000 0.462 451 K N 0.868 121.162 120.400 -0.176 0.000 2.259 451 K HA 0.621 4.941 4.320 -0.001 0.000 0.249 451 K C -1.326 175.344 176.600 0.117 0.000 0.942 451 K CA -1.084 54.962 56.287 -0.403 0.000 0.816 451 K CB 2.034 34.087 32.500 -0.745 0.000 1.155 451 K HN 0.740 nan 8.250 nan 0.000 0.428 452 S N 1.937 117.656 115.700 0.033 0.000 2.756 452 S HA 0.129 4.598 4.470 -0.001 0.000 0.303 452 S C 0.358 174.847 174.600 -0.185 0.000 1.135 452 S CA -0.623 57.565 58.200 -0.019 0.000 1.066 452 S CB 0.821 64.125 63.200 0.173 0.000 1.008 452 S HN 0.525 nan 8.310 nan 0.000 0.482 453 E N 2.725 122.744 120.200 -0.301 0.000 2.333 453 E HA -0.071 4.278 4.350 -0.001 0.000 0.198 453 E C 0.432 176.692 176.600 -0.566 0.000 1.007 453 E CA 1.082 57.224 56.400 -0.430 0.000 0.845 453 E CB -0.076 29.306 29.700 -0.531 0.000 0.766 453 E HN 0.719 nan 8.360 nan 0.000 0.507 454 H N -0.456 118.501 119.070 -0.189 0.000 2.785 454 H HA 0.130 4.685 4.556 -0.001 0.000 0.268 454 H C -0.175 175.086 175.328 -0.112 0.000 1.153 454 H CA -0.058 55.899 56.048 -0.153 0.000 1.111 454 H CB 0.938 30.587 29.762 -0.188 0.000 1.633 454 H HN -0.004 nan 8.280 nan 0.000 0.576 455 D N -0.048 120.344 120.400 -0.015 0.000 2.792 455 D HA -0.174 4.465 4.640 -0.001 0.000 0.192 455 D C 0.028 176.395 176.300 0.112 0.000 1.007 455 D CA 0.779 54.807 54.000 0.047 0.000 1.020 455 D CB -1.444 39.381 40.800 0.041 0.000 1.089 455 D HN 0.414 nan 8.370 nan 0.000 0.438 456 N N 1.738 120.479 118.700 0.069 0.000 2.329 456 N HA 0.185 4.925 4.740 -0.001 0.000 0.237 456 N C -0.009 175.724 175.510 0.372 0.000 1.258 456 N CA 0.487 53.639 53.050 0.170 0.000 0.866 456 N CB 0.430 39.013 38.487 0.160 0.000 1.102 456 N HN 0.186 nan 8.380 nan 0.000 0.440 457 D N -0.175 120.444 120.400 0.364 0.000 2.312 457 D HA 0.359 4.998 4.640 -0.001 0.000 0.248 457 D C -1.181 175.254 176.300 0.225 0.000 1.086 457 D CA -0.525 53.738 54.000 0.439 0.000 0.948 457 D CB 0.677 41.705 40.800 0.379 0.000 1.162 457 D HN 0.266 nan 8.370 nan 0.000 0.446 458 L N 3.399 124.538 121.223 -0.141 0.000 2.294 458 L HA 0.412 4.751 4.340 -0.001 0.000 0.283 458 L C -0.928 175.909 176.870 -0.055 0.000 1.015 458 L CA -0.581 53.945 54.840 -0.523 0.000 0.831 458 L CB 0.660 41.868 42.059 -1.419 0.000 1.217 458 L HN 0.277 nan 8.230 nan 0.000 0.420 459 N N 3.280 121.954 118.700 -0.043 0.000 2.513 459 N HA 0.259 4.999 4.740 -0.001 0.000 0.274 459 N C -0.645 174.808 175.510 -0.094 0.000 1.189 459 N CA -0.351 52.713 53.050 0.024 0.000 0.975 459 N CB 2.185 40.692 38.487 0.032 0.000 1.157 459 N HN 0.397 nan 8.380 nan 0.000 0.465 460 V N 0.128 119.790 119.914 -0.420 0.000 2.644 460 V HA 0.706 4.825 4.120 -0.001 0.000 0.295 460 V C 0.356 176.316 176.094 -0.223 0.000 1.053 460 V CA -0.347 61.562 62.300 -0.651 0.000 0.987 460 V CB 1.304 32.275 31.823 -1.421 0.000 1.006 460 V HN 0.729 nan 8.190 nan 0.000 0.472 461 G N 5.245 113.884 108.800 -0.268 0.000 2.530 461 G HA2 0.713 4.673 3.960 -0.001 0.000 0.316 461 G HA3 0.713 4.673 3.960 -0.001 0.000 0.316 461 G C -1.298 173.507 174.900 -0.158 0.000 1.298 461 G CA -0.539 44.288 45.100 -0.455 0.000 0.948 461 G HN 0.885 nan 8.290 nan 0.000 0.486 462 F N 0.343 120.125 119.950 -0.281 0.000 2.569 462 F HA 0.774 5.301 4.527 -0.001 0.000 0.312 462 F C -0.454 175.110 175.800 -0.394 0.000 1.109 462 F CA -1.623 56.228 58.000 -0.248 0.000 0.919 462 F CB 1.956 40.777 39.000 -0.298 0.000 1.211 462 F HN 0.497 nan 8.300 nan 0.000 0.446 463 R N 4.218 124.449 120.500 -0.449 0.000 2.393 463 R HA 0.708 5.048 4.340 -0.001 0.000 0.310 463 R C -1.578 174.538 176.300 -0.306 0.000 0.968 463 R CA -0.631 55.069 56.100 -0.666 0.000 0.867 463 R CB 1.219 30.790 30.300 -1.214 0.000 1.124 463 R HN 0.964 nan 8.270 nan 0.000 0.450 464 L N 2.490 123.573 121.223 -0.234 0.000 2.334 464 L HA 0.267 4.606 4.340 -0.001 0.000 0.275 464 L C -0.050 176.751 176.870 -0.116 0.000 1.036 464 L CA -0.943 53.826 54.840 -0.118 0.000 0.807 464 L CB 1.466 43.496 42.059 -0.049 0.000 1.231 464 L HN 0.593 nan 8.230 nan 0.000 0.438 465 D N 1.711 122.064 120.400 -0.078 0.000 2.389 465 D HA 0.291 4.931 4.640 -0.001 0.000 0.263 465 D C 0.045 176.320 176.300 -0.042 0.000 1.255 465 D CA 0.420 54.383 54.000 -0.061 0.000 0.914 465 D CB 0.908 41.682 40.800 -0.043 0.000 1.116 465 D HN 0.621 nan 8.370 nan 0.000 0.502 470 F N 1.148 120.958 119.950 -0.234 0.000 2.375 470 F HA 0.396 4.923 4.527 -0.001 0.000 0.333 470 F C 1.357 176.769 175.800 -0.647 0.000 1.104 470 F CA -0.500 57.201 58.000 -0.498 0.000 1.149 470 F CB 0.975 39.559 39.000 -0.693 0.000 1.190 470 F HN -0.163 nan 8.300 nan 0.000 0.533 471 R N 3.384 123.445 120.500 -0.730 0.000 2.196 471 R HA 0.208 4.547 4.340 -0.001 0.000 0.340 471 R C -1.619 174.180 176.300 -0.835 0.000 1.043 471 R CA -0.485 55.155 56.100 -0.768 0.000 0.883 471 R CB 0.072 29.714 30.300 -1.098 0.000 1.078 471 R HN 0.554 nan 8.270 nan 0.000 0.462 472 Y N 1.853 121.998 120.300 -0.257 0.000 2.341 472 Y HA 0.325 4.874 4.550 -0.001 0.000 0.340 472 Y C 0.827 176.648 175.900 -0.132 0.000 0.997 472 Y CA -0.669 57.316 58.100 -0.192 0.000 1.149 472 Y CB 1.564 39.933 38.460 -0.151 0.000 1.171 472 Y HN 0.351 nan 8.280 nan 0.000 0.494 473 V N 0.825 120.767 119.914 0.047 0.000 3.078 473 V HA 0.706 4.825 4.120 -0.001 0.000 0.311 473 V C -0.819 175.319 176.094 0.074 0.000 1.138 473 V CA -1.265 61.080 62.300 0.075 0.000 1.007 473 V CB 2.094 34.002 31.823 0.142 0.000 1.045 473 V HN 0.769 nan 8.190 nan 0.000 0.432 474 E N 2.182 122.396 120.200 0.024 0.000 2.283 474 E HA 0.675 5.024 4.350 -0.001 0.000 0.271 474 E C 0.443 176.950 176.600 -0.154 0.000 1.031 474 E CA -0.350 55.978 56.400 -0.120 0.000 0.868 474 E CB 1.480 31.047 29.700 -0.222 0.000 1.094 474 E HN 1.223 nan 8.360 nan 0.000 0.401 475 G N 0.719 109.193 108.800 -0.544 0.000 2.732 475 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.244 475 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.244 475 G C 0.202 175.064 174.900 -0.064 0.000 1.226 475 G CA -0.045 44.891 45.100 -0.273 0.000 0.860 475 G HN 0.849 nan 8.290 nan 0.000 0.583 476 E N -1.071 119.300 120.200 0.285 0.000 2.175 476 E HA 0.074 4.424 4.350 -0.001 0.000 0.195 476 E C 0.604 177.433 176.600 0.383 0.000 0.934 476 E CA 0.148 56.717 56.400 0.281 0.000 0.870 476 E CB 0.290 30.109 29.700 0.198 0.000 0.838 476 E HN 0.366 nan 8.360 nan 0.000 0.474 477 Q N 0.894 120.910 119.800 0.360 0.000 2.333 477 Q HA 0.283 4.622 4.340 -0.001 0.000 0.268 477 Q C -1.340 174.659 176.000 -0.001 0.000 1.007 477 Q CA -0.468 55.441 55.803 0.177 0.000 0.810 477 Q CB 1.510 30.299 28.738 0.085 0.000 1.264 477 Q HN -0.026 nan 8.270 nan 0.000 0.452 478 R N 2.536 122.867 120.500 -0.282 0.000 2.474 478 R HA 0.511 4.850 4.340 -0.001 0.000 0.295 478 R C -0.936 175.107 176.300 -0.429 0.000 0.980 478 R CA -0.231 55.410 56.100 -0.765 0.000 0.934 478 R CB 1.160 30.834 30.300 -1.043 0.000 1.101 478 R HN 0.741 nan 8.270 nan 0.000 0.469 479 E N 1.168 121.105 120.200 -0.438 0.000 2.314 479 E HA 0.277 4.627 4.350 -0.001 0.000 0.272 479 E C -1.511 174.934 176.600 -0.258 0.000 0.884 479 E CA -0.593 55.650 56.400 -0.261 0.000 0.753 479 E CB 2.297 31.886 29.700 -0.184 0.000 1.213 479 E HN 0.526 nan 8.360 nan 0.000 0.432 480 S N 3.004 118.603 115.700 -0.170 0.000 2.451 480 S HA 0.556 5.025 4.470 -0.001 0.000 0.301 480 S C -0.434 174.144 174.600 -0.037 0.000 1.116 480 S CA -0.505 57.620 58.200 -0.126 0.000 1.093 480 S CB 0.449 63.582 63.200 -0.112 0.000 1.017 480 S HN 0.339 nan 8.310 nan 0.000 0.482 481 I N 3.149 123.740 120.570 0.036 0.000 2.503 481 I HA 0.300 4.470 4.170 -0.001 0.000 0.282 481 I C -0.419 175.846 176.117 0.246 0.000 1.059 481 I CA -0.695 60.690 61.300 0.140 0.000 1.081 481 I CB 1.296 39.432 38.000 0.226 0.000 1.210 481 I HN 0.519 nan 8.210 nan 0.000 0.450 482 N N 5.028 123.827 118.700 0.165 0.000 2.708 482 N HA -0.228 4.512 4.740 -0.001 0.000 0.251 482 N C 0.991 176.654 175.510 0.255 0.000 1.017 482 N CA 1.482 54.645 53.050 0.189 0.000 0.742 482 N CB -0.665 37.943 38.487 0.201 0.000 0.943 482 N HN 1.208 nan 8.380 nan 0.000 0.539 483 G N -2.980 105.893 108.800 0.121 0.000 2.194 483 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.236 483 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.236 483 G C -0.218 174.583 174.900 -0.164 0.000 0.987 483 G CA 0.153 45.232 45.100 -0.034 0.000 0.635 483 G HN 0.310 nan 8.290 nan 0.000 0.520 484 W N 1.055 122.290 121.300 -0.108 0.000 2.512 484 W HA 0.678 5.337 4.660 -0.001 0.000 0.335 484 W C 0.339 176.630 176.519 -0.380 0.000 1.088 484 W CA -0.285 56.918 57.345 -0.236 0.000 1.236 484 W CB 1.403 30.734 29.460 -0.215 0.000 1.307 484 W HN 0.023 nan 8.180 nan 0.000 0.567 485 T N 2.754 117.056 114.554 -0.420 0.000 2.767 485 T HA 0.261 4.611 4.350 -0.001 0.000 0.284 485 T C -0.747 173.641 174.700 -0.520 0.000 0.973 485 T CA -0.626 61.112 62.100 -0.602 0.000 0.996 485 T CB 1.029 69.327 68.868 -0.950 0.000 0.927 485 T HN 0.339 nan 8.240 nan 0.000 0.456 486 Q N 2.898 122.415 119.800 -0.471 0.000 2.357 486 Q HA 0.332 4.671 4.340 -0.001 0.000 0.266 486 Q C -1.445 174.247 176.000 -0.513 0.000 1.021 486 Q CA -0.744 54.823 55.803 -0.393 0.000 0.784 486 Q CB 0.969 29.546 28.738 -0.269 0.000 1.243 486 Q HN 0.668 nan 8.270 nan 0.000 0.465 487 W N 2.144 123.100 121.300 -0.573 0.000 2.376 487 W HA 0.386 5.046 4.660 -0.000 0.000 0.322 487 W C -0.095 176.089 176.519 -0.558 0.000 1.160 487 W CA -0.371 56.544 57.345 -0.717 0.000 1.218 487 W CB 1.912 30.499 29.460 -1.456 0.000 1.205 487 W HN 0.377 nan 8.180 nan 0.000 0.559 488 T N 4.081 118.653 114.554 0.029 0.000 2.812 488 T HA 0.433 4.782 4.350 -0.001 0.000 0.282 488 T C -1.470 173.348 174.700 0.197 0.000 0.990 488 T CA -0.616 61.541 62.100 0.094 0.000 0.960 488 T CB 0.904 69.816 68.868 0.074 0.000 0.948 488 T HN 0.222 nan 8.240 nan 0.000 0.438 489 L N 6.396 127.781 121.223 0.271 0.000 2.353 489 L HA 0.524 4.864 4.340 -0.001 0.000 0.270 489 L C -2.768 174.209 176.870 0.179 0.000 1.003 489 L CA -2.072 52.936 54.840 0.280 0.000 0.862 489 L CB 1.087 43.404 42.059 0.430 0.000 1.221 489 L HN 0.281 nan 8.230 nan 0.000 0.430 490 P HA 0.131 nan 4.420 nan 0.000 0.268 490 P C -0.035 177.329 177.300 0.106 0.000 1.205 490 P CA 0.274 63.435 63.100 0.102 0.000 0.771 490 P CB 0.624 32.380 31.700 0.093 0.000 0.858 491 L N 1.773 123.042 121.223 0.076 0.000 3.014 491 L HA 0.147 4.487 4.340 -0.001 0.000 0.263 491 L C 0.803 177.764 176.870 0.152 0.000 1.207 491 L CA 0.139 55.049 54.840 0.116 0.000 1.017 491 L CB -0.097 41.928 42.059 -0.058 0.000 1.360 491 L HN 0.217 nan 8.230 nan 0.000 0.560 492 D N 1.558 122.009 120.400 0.085 0.000 2.158 492 D HA -0.218 4.422 4.640 -0.001 0.000 0.197 492 D C 2.260 178.564 176.300 0.006 0.000 0.995 492 D CA 1.436 55.462 54.000 0.044 0.000 0.846 492 D CB 0.081 40.897 40.800 0.026 0.000 0.941 492 D HN 0.339 nan 8.370 nan 0.000 0.456 493 A N -0.657 122.133 122.820 -0.050 0.000 2.186 493 A HA -0.098 4.221 4.320 -0.001 0.000 0.219 493 A C 1.142 178.473 177.584 -0.422 0.000 1.159 493 A CA 0.846 52.728 52.037 -0.258 0.000 0.680 493 A CB -0.616 18.151 19.000 -0.389 0.000 0.787 493 A HN 0.268 nan 8.150 nan 0.000 0.467 494 F N -0.917 119.028 119.950 -0.008 0.000 2.688 494 F HA 0.449 4.975 4.527 -0.001 0.000 0.310 494 F C 1.283 177.070 175.800 -0.022 0.000 1.098 494 F CA -0.262 57.732 58.000 -0.010 0.000 1.228 494 F CB 0.120 39.104 39.000 -0.027 0.000 1.042 494 F HN 0.159 nan 8.300 nan 0.000 0.557 495 A N 0.495 123.376 122.820 0.101 0.000 2.567 495 A HA 0.366 4.685 4.320 -0.001 0.000 0.240 495 A C 1.561 179.174 177.584 0.049 0.000 1.053 495 A CA 1.164 53.236 52.037 0.058 0.000 0.755 495 A CB -0.675 18.343 19.000 0.028 0.000 0.978 495 A HN 1.035 nan 8.150 nan 0.000 0.507 496 G N 0.898 109.722 108.800 0.040 0.000 2.213 496 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.236 496 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.236 496 G C 0.302 175.225 174.900 0.038 0.000 0.991 496 G CA 0.385 45.504 45.100 0.031 0.000 0.629 496 G HN 0.877 nan 8.290 nan 0.000 0.517 497 Q N 0.288 120.127 119.800 0.064 0.000 2.249 497 Q HA 0.629 4.968 4.340 -0.001 0.000 0.226 497 Q C -0.558 175.452 176.000 0.018 0.000 0.983 497 Q CA 0.207 56.047 55.803 0.063 0.000 0.930 497 Q CB 1.276 30.098 28.738 0.140 0.000 1.193 497 Q HN 0.204 nan 8.270 nan 0.000 0.508 498 T N 1.094 115.645 114.554 -0.005 0.000 2.840 498 T HA 0.474 4.824 4.350 -0.001 0.000 0.287 498 T C 0.080 174.742 174.700 -0.064 0.000 0.991 498 T CA -0.493 61.585 62.100 -0.037 0.000 0.964 498 T CB 0.571 69.418 68.868 -0.034 0.000 0.954 498 T HN 0.310 nan 8.240 nan 0.000 0.438 499 I N 3.391 123.907 120.570 -0.090 0.000 2.471 499 I HA 0.172 4.341 4.170 -0.001 0.000 0.286 499 I C 1.600 177.650 176.117 -0.113 0.000 1.079 499 I CA -0.008 61.228 61.300 -0.106 0.000 1.398 499 I CB 1.159 39.082 38.000 -0.128 0.000 1.403 499 I HN 0.777 nan 8.210 nan 0.000 0.530 500 T N 0.818 115.297 114.554 -0.125 0.000 3.040 500 T HA 0.417 4.767 4.350 -0.001 0.000 0.266 500 T C 0.377 175.027 174.700 -0.083 0.000 1.005 500 T CA -0.249 61.787 62.100 -0.108 0.000 0.906 500 T CB 0.398 69.206 68.868 -0.101 0.000 1.082 500 T HN 0.767 nan 8.240 nan 0.000 0.531 501 G N 0.722 109.465 108.800 -0.095 0.000 2.733 501 G HA2 0.575 4.535 3.960 -0.001 0.000 0.297 501 G HA3 0.575 4.535 3.960 -0.001 0.000 0.297 501 G C -1.946 173.068 174.900 0.191 0.000 1.452 501 G CA -0.885 44.259 45.100 0.074 0.000 0.940 501 G HN 0.309 nan 8.290 nan 0.000 0.547 502 L N 0.582 122.002 121.223 0.328 0.000 2.354 502 L HA 0.941 5.280 4.340 -0.001 0.000 0.269 502 L C 0.317 177.254 176.870 0.113 0.000 1.005 502 L CA -0.898 54.049 54.840 0.179 0.000 0.819 502 L CB 2.173 44.261 42.059 0.048 0.000 1.311 502 L HN 0.937 nan 8.230 nan 0.000 0.423 503 A N 1.365 124.052 122.820 -0.221 0.000 2.581 503 A HA 0.878 5.197 4.320 -0.001 0.000 0.290 503 A C -1.975 175.227 177.584 -0.637 0.000 1.119 503 A CA -0.392 51.392 52.037 -0.421 0.000 0.670 503 A CB 1.490 20.166 19.000 -0.541 0.000 1.280 503 A HN 0.397 nan 8.150 nan 0.000 0.425 504 F N -0.901 118.926 119.950 -0.204 0.000 2.620 504 F HA 0.875 5.402 4.527 -0.001 0.000 0.320 504 F C 0.485 176.140 175.800 -0.241 0.000 1.069 504 F CA -0.122 57.714 58.000 -0.273 0.000 0.953 504 F CB 2.493 41.226 39.000 -0.445 0.000 1.322 504 F HN 1.049 nan 8.300 nan 0.000 0.479 505 A N 0.713 123.553 122.820 0.033 0.000 2.574 505 A HA 0.948 5.267 4.320 -0.001 0.000 0.297 505 A C -1.780 175.795 177.584 -0.016 0.000 1.062 505 A CA -0.331 51.645 52.037 -0.102 0.000 0.686 505 A CB 1.450 20.071 19.000 -0.632 0.000 1.285 505 A HN 1.302 nan 8.150 nan 0.000 0.403 506 A N 0.711 123.547 122.820 0.026 0.000 2.515 506 A HA 0.854 5.173 4.320 -0.001 0.000 0.296 506 A C -0.815 176.805 177.584 0.061 0.000 1.094 506 A CA -0.394 51.645 52.037 0.004 0.000 0.718 506 A CB 1.451 20.417 19.000 -0.057 0.000 1.307 506 A HN 0.926 nan 8.150 nan 0.000 0.408 507 E N 0.591 120.844 120.200 0.087 0.000 2.187 507 E HA 0.528 4.878 4.350 -0.001 0.000 0.268 507 E C 0.292 176.881 176.600 -0.018 0.000 0.896 507 E CA -0.578 55.842 56.400 0.032 0.000 0.766 507 E CB 1.541 31.280 29.700 0.065 0.000 1.142 507 E HN 0.975 nan 8.360 nan 0.000 0.408 508 G N 3.051 111.795 108.800 -0.093 0.000 2.544 508 G HA2 0.161 4.121 3.960 -0.001 0.000 0.242 508 G HA3 0.161 4.121 3.960 -0.001 0.000 0.242 508 G C -0.195 174.655 174.900 -0.084 0.000 1.247 508 G CA -0.310 44.728 45.100 -0.103 0.000 0.840 508 G HN 0.697 nan 8.290 nan 0.000 0.578 509 N N -1.212 117.440 118.700 -0.080 0.000 3.100 509 N HA 0.175 4.914 4.740 -0.001 0.000 0.344 509 N C 0.990 176.452 175.510 -0.080 0.000 1.413 509 N CA -0.544 52.469 53.050 -0.062 0.000 0.752 509 N CB 0.757 39.225 38.487 -0.031 0.000 1.519 509 N HN 0.500 nan 8.380 nan 0.000 0.620 510 E N -0.787 119.376 120.200 -0.062 0.000 2.160 510 E HA -0.209 4.140 4.350 -0.001 0.000 0.195 510 E C 0.763 177.310 176.600 -0.088 0.000 0.991 510 E CA 1.634 57.996 56.400 -0.064 0.000 0.810 510 E CB -0.293 29.381 29.700 -0.045 0.000 0.742 510 E HN 0.628 nan 8.360 nan 0.000 0.466 511 T N -0.605 113.885 114.554 -0.107 0.000 2.737 511 T HA -0.145 4.205 4.350 -0.001 0.000 0.269 511 T C 1.410 175.983 174.700 -0.210 0.000 1.040 511 T CA 1.613 63.613 62.100 -0.167 0.000 1.142 511 T CB -0.588 68.148 68.868 -0.219 0.000 0.861 511 T HN 0.606 nan 8.240 nan 0.000 0.456 512 G N -0.009 108.676 108.800 -0.191 0.000 2.189 512 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.267 512 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.267 512 G C -0.099 174.652 174.900 -0.249 0.000 0.975 512 G CA 0.188 45.174 45.100 -0.190 0.000 0.644 512 G HN 0.449 nan 8.290 nan 0.000 0.537 513 L N 0.462 121.459 121.223 -0.377 0.000 2.334 513 L HA 0.925 5.265 4.340 -0.001 0.000 0.273 513 L C 0.373 177.018 176.870 -0.376 0.000 1.013 513 L CA -0.690 53.869 54.840 -0.468 0.000 0.816 513 L CB 1.751 43.279 42.059 -0.884 0.000 1.278 513 L HN 0.704 nan 8.230 nan 0.000 0.431 514 A N 2.039 124.709 122.820 -0.251 0.000 2.393 514 A HA 0.770 5.090 4.320 -0.001 0.000 0.306 514 A C -0.817 176.629 177.584 -0.231 0.000 1.050 514 A CA -0.418 51.449 52.037 -0.283 0.000 0.724 514 A CB 1.272 20.065 19.000 -0.346 0.000 1.248 514 A HN 0.691 nan 8.150 nan 0.000 0.424 515 E N 2.289 122.254 120.200 -0.391 0.000 2.528 515 E HA 0.494 4.844 4.350 -0.001 0.000 0.277 515 E C -1.896 174.392 176.600 -0.521 0.000 0.980 515 E CA -0.169 56.023 56.400 -0.347 0.000 0.796 515 E CB 0.617 30.184 29.700 -0.221 0.000 1.427 515 E HN 0.511 nan 8.360 nan 0.000 0.394 516 F N 2.326 122.126 119.950 -0.250 0.000 2.425 516 F HA 0.496 5.023 4.527 -0.001 0.000 0.331 516 F C -0.491 175.073 175.800 -0.393 0.000 1.085 516 F CA -0.512 57.393 58.000 -0.159 0.000 1.028 516 F CB 1.074 40.053 39.000 -0.035 0.000 1.177 516 F HN 0.307 nan 8.300 nan 0.000 0.487 517 Y N 0.185 120.597 120.300 0.187 0.000 2.346 517 Y HA 0.431 4.981 4.550 -0.001 0.000 0.332 517 Y C 0.032 176.102 175.900 0.283 0.000 0.985 517 Y CA -0.978 57.196 58.100 0.122 0.000 1.112 517 Y CB 2.253 40.724 38.460 0.018 0.000 1.170 517 Y HN 0.515 nan 8.280 nan 0.000 0.447 518 T N 1.037 115.774 114.554 0.306 0.000 2.792 518 T HA 0.575 4.925 4.350 -0.001 0.000 0.280 518 T C 0.595 175.495 174.700 0.333 0.000 0.990 518 T CA -0.181 62.099 62.100 0.300 0.000 0.960 518 T CB 0.867 69.668 68.868 -0.113 0.000 0.939 518 T HN 0.874 nan 8.240 nan 0.000 0.439 519 G N 3.014 112.103 108.800 0.482 0.000 3.274 519 G HA2 0.393 4.353 3.960 -0.001 0.000 0.250 519 G HA3 0.393 4.353 3.960 -0.001 0.000 0.250 519 G C -0.001 175.112 174.900 0.356 0.000 1.024 519 G CA -0.107 45.202 45.100 0.347 0.000 0.840 519 G HN 0.865 nan 8.290 nan 0.000 0.522 520 Q N -0.647 119.353 119.800 0.335 0.000 2.403 520 Q HA 0.647 4.987 4.340 -0.001 0.000 0.267 520 Q C -2.303 173.827 176.000 0.217 0.000 0.991 520 Q CA -0.877 54.936 55.803 0.016 0.000 0.906 520 Q CB 1.822 30.479 28.738 -0.136 0.000 1.422 520 Q HN 0.200 nan 8.270 nan 0.000 0.400 521 L N 2.038 123.250 121.223 -0.018 0.000 2.482 521 L HA 1.050 5.389 4.340 -0.001 0.000 0.263 521 L C -2.016 174.754 176.870 -0.166 0.000 0.957 521 L CA 0.088 55.008 54.840 0.133 0.000 0.836 521 L CB 2.320 44.554 42.059 0.292 0.000 1.324 521 L HN 1.073 nan 8.230 nan 0.000 0.406 522 A N 3.672 126.476 122.820 -0.027 0.000 2.577 522 A HA 0.754 5.073 4.320 -0.001 0.000 0.297 522 A C -1.983 175.610 177.584 0.016 0.000 1.060 522 A CA -0.506 51.465 52.037 -0.110 0.000 0.697 522 A CB 1.785 20.687 19.000 -0.163 0.000 1.281 522 A HN 0.647 nan 8.150 nan 0.000 0.402 523 V N 1.615 121.541 119.914 0.020 0.000 2.378 523 V HA 0.872 4.991 4.120 -0.001 0.000 0.288 523 V C 0.616 176.722 176.094 0.020 0.000 1.016 523 V CA 0.666 62.982 62.300 0.027 0.000 0.840 523 V CB 0.828 32.666 31.823 0.025 0.000 0.994 523 V HN 2.038 nan 8.190 nan 0.000 0.431 529 K N 2.941 123.327 120.400 -0.024 0.000 2.123 529 K HA 0.802 5.121 4.320 -0.001 0.000 0.259 529 K C -2.421 174.149 176.600 -0.049 0.000 0.960 529 K CA -1.447 54.815 56.287 -0.042 0.000 0.872 529 K CB 1.585 34.060 32.500 -0.041 0.000 1.079 529 K HN 0.295 nan 8.250 nan 0.000 0.440 530 P HA 0.164 nan 4.420 nan 0.000 0.276 530 P C -1.276 175.987 177.300 -0.061 0.000 1.252 530 P CA -0.568 62.487 63.100 -0.074 0.000 0.802 530 P CB 0.921 32.545 31.700 -0.126 0.000 1.035 531 A N 1.249 124.044 122.820 -0.043 0.000 2.388 531 A HA 0.513 4.832 4.320 -0.001 0.000 0.257 531 A C 0.386 177.949 177.584 -0.034 0.000 1.095 531 A CA -0.209 51.811 52.037 -0.029 0.000 0.791 531 A CB -0.514 18.479 19.000 -0.011 0.000 1.029 531 A HN 0.620 nan 8.150 nan 0.000 0.489 532 A N 3.898 126.700 122.820 -0.030 0.000 2.584 532 A HA 0.437 4.756 4.320 -0.001 0.000 0.239 532 A C -2.138 175.437 177.584 -0.015 0.000 1.043 532 A CA -0.566 51.453 52.037 -0.031 0.000 0.756 532 A CB -0.819 18.168 19.000 -0.021 0.000 0.963 532 A HN 0.632 nan 8.150 nan 0.000 0.511 533 P HA 0.052 nan 4.420 nan 0.000 0.268 533 P C -0.387 176.924 177.300 0.019 0.000 1.204 533 P CA -0.167 62.933 63.100 0.001 0.000 0.768 533 P CB 0.372 32.014 31.700 -0.096 0.000 0.842 534 N N 3.201 121.934 118.700 0.056 0.000 2.439 534 N HA 0.158 4.898 4.740 -0.001 0.000 0.243 534 N C -1.270 174.296 175.510 0.094 0.000 1.088 534 N CA 0.000 53.085 53.050 0.058 0.000 0.940 534 N CB -0.108 38.410 38.487 0.051 0.000 1.180 534 N HN -0.013 nan 8.380 nan 0.000 0.505 535 V N 3.990 123.952 119.914 0.080 0.000 2.459 535 V HA 0.441 4.560 4.120 -0.001 0.000 0.295 535 V C -0.122 176.013 176.094 0.068 0.000 1.029 535 V CA -0.971 61.401 62.300 0.121 0.000 0.874 535 V CB 1.511 33.410 31.823 0.127 0.000 0.985 535 V HN 0.587 nan 8.190 nan 0.000 0.438 536 N N 2.504 121.237 118.700 0.055 0.000 2.361 536 N HA 0.528 5.267 4.740 -0.001 0.000 0.302 536 N C -0.892 174.630 175.510 0.020 0.000 1.074 536 N CA -0.427 52.638 53.050 0.023 0.000 0.850 536 N CB 2.538 41.027 38.487 0.004 0.000 1.228 536 N HN 0.357 nan 8.380 nan 0.000 0.491 537 V N 3.180 123.105 119.914 0.019 0.000 2.385 537 V HA 0.382 4.502 4.120 -0.001 0.000 0.269 537 V C 0.364 176.472 176.094 0.024 0.000 1.043 537 V CA -0.444 61.870 62.300 0.023 0.000 0.906 537 V CB 0.376 32.210 31.823 0.019 0.000 0.995 537 V HN 0.440 nan 8.190 nan 0.000 0.467 538 R N 2.960 123.481 120.500 0.035 0.000 2.892 538 R HA 0.497 4.837 4.340 -0.001 0.000 0.265 538 R C -0.398 175.957 176.300 0.091 0.000 1.025 538 R CA -0.989 55.140 56.100 0.049 0.000 0.982 538 R CB 1.094 31.416 30.300 0.038 0.000 1.185 538 R HN 0.596 nan 8.270 nan 0.000 0.484 539 Q N 1.168 121.022 119.800 0.090 0.000 2.337 539 Q HA 0.001 4.341 4.340 -0.001 0.000 0.270 539 Q C -0.781 175.348 176.000 0.215 0.000 1.002 539 Q CA 0.420 56.293 55.803 0.116 0.000 0.888 539 Q CB 0.499 29.275 28.738 0.064 0.000 1.222 539 Q HN 0.414 nan 8.270 nan 0.000 0.400 540 Y N 4.050 124.423 120.300 0.121 0.000 2.595 540 Y HA 0.075 4.624 4.550 -0.001 0.000 0.336 540 Y C 0.456 176.404 175.900 0.080 0.000 0.996 540 Y CA -0.729 57.459 58.100 0.147 0.000 1.260 540 Y CB 0.149 38.744 38.460 0.225 0.000 1.108 540 Y HN 0.614 nan 8.280 nan 0.000 0.509 541 D N 5.603 125.868 120.400 -0.225 0.000 2.154 541 D HA -0.208 4.431 4.640 -0.001 0.000 0.190 541 D C -0.574 175.516 176.300 -0.350 0.000 1.003 541 D CA 1.994 55.858 54.000 -0.226 0.000 0.849 541 D CB -1.219 39.491 40.800 -0.150 0.000 0.942 541 D HN 0.496 nan 8.370 nan 0.000 0.446 542 P HA -0.021 nan 4.420 nan 0.000 0.225 542 P C -0.255 176.854 177.300 -0.317 0.000 1.148 542 P CA 1.044 63.852 63.100 -0.486 0.000 0.779 542 P CB 0.209 31.536 31.700 -0.621 0.000 0.780 543 D N -0.952 119.277 120.400 -0.285 0.000 2.378 543 D HA 0.233 4.872 4.640 -0.001 0.000 0.265 543 D C -2.742 173.597 176.300 0.066 0.000 1.229 543 D CA -2.884 51.120 54.000 0.008 0.000 0.914 543 D CB 0.674 41.620 40.800 0.242 0.000 1.140 543 D HN -0.090 nan 8.370 nan 0.000 0.516 544 P HA 0.103 nan 4.420 nan 0.000 0.270 544 P C 0.543 177.872 177.300 0.049 0.000 1.223 544 P CA 0.307 63.425 63.100 0.030 0.000 0.785 544 P CB 0.793 32.497 31.700 0.007 0.000 0.923 545 S N -1.744 113.982 115.700 0.043 0.000 2.691 545 S HA -0.133 4.337 4.470 -0.001 0.000 0.262 545 S C 0.574 175.197 174.600 0.039 0.000 1.284 545 S CA 1.041 59.262 58.200 0.034 0.000 1.372 545 S CB -2.515 60.702 63.200 0.029 0.000 1.693 545 S HN 0.897 nan 8.310 nan 0.000 0.647 546 G N 0.898 109.751 108.800 0.088 0.000 2.537 546 G HA2 0.819 4.778 3.960 -0.001 0.000 0.323 546 G HA3 0.819 4.778 3.960 -0.001 0.000 0.323 546 G C -0.397 174.562 174.900 0.098 0.000 1.207 546 G CA -0.700 44.441 45.100 0.067 0.000 0.976 546 G HN 1.492 nan 8.290 nan 0.000 0.487 547 I N -2.705 117.872 120.570 0.012 0.000 3.191 547 I HA 0.745 4.914 4.170 -0.001 0.000 0.313 547 I C -1.318 174.858 176.117 0.098 0.000 1.193 547 I CA -1.394 59.956 61.300 0.084 0.000 0.968 547 I CB 2.516 40.531 38.000 0.024 0.000 1.262 547 I HN 0.621 nan 8.210 nan 0.000 0.456 548 Q N 3.073 122.967 119.800 0.156 0.000 2.323 548 Q HA 0.582 4.921 4.340 -0.001 0.000 0.271 548 Q C -1.888 174.146 176.000 0.057 0.000 1.048 548 Q CA -1.022 54.877 55.803 0.161 0.000 0.792 548 Q CB 2.616 31.557 28.738 0.339 0.000 1.280 548 Q HN 0.510 nan 8.270 nan 0.000 0.441 549 L N 2.882 124.120 121.223 0.025 0.000 2.305 549 L HA 0.524 4.863 4.340 -0.001 0.000 0.281 549 L C -0.404 176.314 176.870 -0.252 0.000 1.085 549 L CA -0.640 54.208 54.840 0.014 0.000 0.813 549 L CB 1.192 43.376 42.059 0.209 0.000 1.157 549 L HN 0.615 nan 8.230 nan 0.000 0.436 550 V N 3.437 123.213 119.914 -0.231 0.000 2.588 550 V HA 0.545 4.665 4.120 -0.001 0.000 0.304 550 V C -0.499 175.444 176.094 -0.252 0.000 1.042 550 V CA -0.644 61.369 62.300 -0.478 0.000 0.877 550 V CB 1.699 33.335 31.823 -0.312 0.000 0.996 550 V HN 0.908 nan 8.190 nan 0.000 0.425 551 W N 2.811 123.973 121.300 -0.230 0.000 3.021 551 W HA 0.880 5.539 4.660 -0.001 0.000 0.337 551 W C -0.263 176.142 176.519 -0.190 0.000 1.171 551 W CA -1.036 56.176 57.345 -0.223 0.000 1.060 551 W CB 0.554 29.807 29.460 -0.345 0.000 1.472 551 W HN 0.602 nan 8.180 nan 0.000 0.594 557 V N 2.617 122.505 119.914 -0.044 0.000 2.459 557 V HA 0.317 4.437 4.120 -0.001 0.000 0.295 557 V C 1.029 177.064 176.094 -0.099 0.000 1.029 557 V CA -0.623 61.581 62.300 -0.160 0.000 0.874 557 V CB 1.487 33.113 31.823 -0.328 0.000 0.985 557 V HN 0.386 nan 8.190 nan 0.000 0.438 558 H N 5.054 124.002 119.070 -0.204 0.000 2.343 558 H HA 0.085 4.641 4.556 -0.001 0.000 0.303 558 H C 0.402 175.719 175.328 -0.017 0.000 1.068 558 H CA 1.721 57.734 56.048 -0.057 0.000 1.359 558 H CB 0.539 30.312 29.762 0.019 0.000 1.402 558 H HN 0.841 nan 8.280 nan 0.000 0.515 559 H N -3.316 115.587 119.070 -0.278 0.000 2.950 559 H HA 0.145 4.701 4.556 -0.001 0.000 0.307 559 H C -1.940 173.086 175.328 -0.503 0.000 1.403 559 H CA -0.839 55.055 56.048 -0.257 0.000 1.145 559 H CB 0.235 29.939 29.762 -0.097 0.000 1.844 559 H HN 0.011 nan 8.280 nan 0.000 0.515 560 Y N 0.433 120.616 120.300 -0.196 0.000 2.446 560 Y HA 0.593 5.143 4.550 -0.001 0.000 0.338 560 Y C 0.475 176.227 175.900 -0.247 0.000 1.055 560 Y CA -0.893 56.963 58.100 -0.406 0.000 1.101 560 Y CB 1.953 39.965 38.460 -0.747 0.000 1.221 560 Y HN 0.295 nan 8.280 nan 0.000 0.460 561 R N 1.598 121.982 120.500 -0.193 0.000 2.494 561 R HA 0.655 4.994 4.340 -0.001 0.000 0.305 561 R C -1.673 174.472 176.300 -0.260 0.000 0.959 561 R CA -0.995 54.942 56.100 -0.272 0.000 0.864 561 R CB 2.094 32.190 30.300 -0.339 0.000 1.159 561 R HN 0.386 nan 8.270 nan 0.000 0.446 562 V N 4.443 124.172 119.914 -0.307 0.000 2.334 562 V HA 0.321 4.441 4.120 -0.001 0.000 0.281 562 V C -0.858 175.068 176.094 -0.280 0.000 1.016 562 V CA -0.756 61.437 62.300 -0.178 0.000 0.832 562 V CB 0.593 32.371 31.823 -0.075 0.000 0.999 562 V HN 0.595 nan 8.190 nan 0.000 0.439 563 Y N 3.705 123.985 120.300 -0.033 0.000 2.387 563 Y HA 0.597 5.146 4.550 -0.001 0.000 0.330 563 Y C 0.449 176.368 175.900 0.033 0.000 1.133 563 Y CA -0.692 57.396 58.100 -0.021 0.000 1.152 563 Y CB 1.683 40.127 38.460 -0.027 0.000 1.215 563 Y HN 0.610 nan 8.280 nan 0.000 0.466 564 K N 1.335 121.844 120.400 0.182 0.000 2.259 564 K HA 0.491 4.810 4.320 -0.001 0.000 0.252 564 K C -1.196 175.480 176.600 0.127 0.000 0.936 564 K CA -0.826 55.541 56.287 0.134 0.000 0.810 564 K CB 1.616 34.152 32.500 0.060 0.000 1.143 564 K HN 0.596 nan 8.250 nan 0.000 0.427 565 E N 1.792 122.063 120.200 0.118 0.000 2.338 565 E HA 0.103 4.453 4.350 -0.001 0.000 0.272 565 E C -0.404 176.212 176.600 0.027 0.000 1.029 565 E CA -0.123 56.318 56.400 0.068 0.000 0.872 565 E CB 1.268 31.016 29.700 0.079 0.000 1.015 565 E HN 0.783 nan 8.360 nan 0.000 0.417 566 T N -0.925 113.630 114.554 0.002 0.000 2.865 566 T HA 0.285 4.635 4.350 -0.001 0.000 0.294 566 T C 0.610 175.249 174.700 -0.102 0.000 1.119 566 T CA -1.057 61.016 62.100 -0.045 0.000 1.007 566 T CB 1.345 70.199 68.868 -0.022 0.000 1.225 566 T HN 0.295 nan 8.240 nan 0.000 0.515 567 K N -0.347 119.913 120.400 -0.233 0.000 2.442 567 K HA -0.064 4.255 4.320 -0.001 0.000 0.198 567 K C 0.824 177.274 176.600 -0.250 0.000 1.044 567 K CA 0.940 57.059 56.287 -0.280 0.000 0.948 567 K CB -0.189 32.082 32.500 -0.381 0.000 0.762 567 K HN 0.526 nan 8.250 nan 0.000 0.472 568 H N -0.491 118.580 119.070 0.003 0.000 2.505 568 H HA 0.252 4.808 4.556 -0.001 0.000 0.286 568 H C 0.971 176.296 175.328 -0.005 0.000 1.072 568 H CA 0.554 56.603 56.048 0.001 0.000 1.141 568 H CB 0.460 30.227 29.762 0.008 0.000 1.550 568 H HN 0.318 nan 8.280 nan 0.000 0.547 569 G N 1.624 110.462 108.800 0.063 0.000 2.549 569 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.404 569 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.404 569 G C -0.474 174.431 174.900 0.009 0.000 1.292 569 G CA -0.596 44.514 45.100 0.016 0.000 0.935 569 G HN 0.377 nan 8.290 nan 0.000 0.512 570 K N 0.249 120.625 120.400 -0.039 0.000 2.368 570 K HA 0.562 4.881 4.320 -0.001 0.000 0.282 570 K C -0.273 176.391 176.600 0.106 0.000 1.035 570 K CA 0.010 56.280 56.287 -0.029 0.000 0.973 570 K CB 1.654 33.998 32.500 -0.261 0.000 0.957 570 K HN 0.640 nan 8.250 nan 0.000 0.474 571 E N 3.632 123.949 120.200 0.195 0.000 2.210 571 E HA 0.176 4.526 4.350 -0.001 0.000 0.266 571 E C -1.370 175.338 176.600 0.179 0.000 0.883 571 E CA -1.194 55.315 56.400 0.182 0.000 0.761 571 E CB 1.366 31.125 29.700 0.098 0.000 1.156 571 E HN 0.567 nan 8.360 nan 0.000 0.412 572 L N 6.277 127.496 121.223 -0.005 0.000 2.360 572 L HA 0.207 4.547 4.340 -0.001 0.000 0.276 572 L C 0.440 177.137 176.870 -0.288 0.000 1.121 572 L CA 0.679 55.246 54.840 -0.455 0.000 0.845 572 L CB 0.545 42.218 42.059 -0.644 0.000 1.143 572 L HN 0.677 nan 8.230 nan 0.000 0.452 573 I N 1.306 121.710 120.570 -0.278 0.000 4.327 573 I HA 0.622 4.792 4.170 -0.001 0.000 0.331 573 I C 0.549 176.570 176.117 -0.161 0.000 1.348 573 I CA -0.013 61.192 61.300 -0.157 0.000 1.152 573 I CB 0.444 38.396 38.000 -0.081 0.000 1.151 573 I HN 0.599 nan 8.210 nan 0.000 0.410 574 G N 1.292 109.944 108.800 -0.248 0.000 2.732 574 G HA2 0.552 4.511 3.960 -0.001 0.000 0.296 574 G HA3 0.552 4.511 3.960 -0.001 0.000 0.296 574 G C -1.072 173.690 174.900 -0.229 0.000 1.448 574 G CA -0.098 44.902 45.100 -0.166 0.000 0.911 574 G HN 0.177 nan 8.290 nan 0.000 0.528 575 T N -1.976 112.495 114.554 -0.138 0.000 2.909 575 T HA 0.823 5.173 4.350 -0.001 0.000 0.299 575 T C -0.653 174.100 174.700 0.089 0.000 1.073 575 T CA -0.851 61.201 62.100 -0.080 0.000 0.999 575 T CB 2.061 70.804 68.868 -0.208 0.000 1.098 575 T HN 1.416 nan 8.240 nan 0.000 0.477 576 S N 0.062 115.889 115.700 0.211 0.000 2.546 576 S HA 0.659 5.129 4.470 -0.001 0.000 0.272 576 S C 0.167 174.978 174.600 0.351 0.000 1.140 576 S CA -0.203 58.172 58.200 0.292 0.000 0.920 576 S CB 1.294 64.746 63.200 0.420 0.000 1.083 576 S HN 1.354 nan 8.310 nan 0.000 0.476 577 A N 3.219 126.182 122.820 0.238 0.000 2.430 577 A HA 0.647 4.967 4.320 -0.001 0.000 0.243 577 A C 0.941 178.634 177.584 0.181 0.000 1.254 577 A CA 0.434 52.587 52.037 0.194 0.000 0.914 577 A CB -0.497 18.535 19.000 0.053 0.000 0.998 577 A HN 0.968 nan 8.150 nan 0.000 0.515 578 G N -0.131 108.754 108.800 0.142 0.000 2.940 578 G HA2 0.404 4.364 3.960 -0.001 0.000 0.164 578 G HA3 0.404 4.364 3.960 -0.001 0.000 0.164 578 G C 0.174 174.873 174.900 -0.335 0.000 1.326 578 G CA 0.544 45.520 45.100 -0.206 0.000 1.020 578 G HN 0.218 nan 8.290 nan 0.000 0.586 579 D N -1.552 118.408 120.400 -0.733 0.000 2.398 579 D HA 0.151 4.791 4.640 -0.001 0.000 0.210 579 D C 0.723 175.992 176.300 -1.719 0.000 1.094 579 D CA -0.245 53.163 54.000 -0.988 0.000 0.839 579 D CB 0.253 40.651 40.800 -0.670 0.000 0.963 579 D HN 0.578 nan 8.370 nan 0.000 0.506 580 R N -1.127 118.572 120.500 -1.336 0.000 2.733 580 R HA 0.727 5.067 4.340 -0.001 0.000 0.272 580 R C -1.588 174.388 176.300 -0.540 0.000 1.029 580 R CA -1.054 54.279 56.100 -1.280 0.000 0.888 580 R CB 1.321 31.097 30.300 -0.874 0.000 1.251 580 R HN 0.023 nan 8.270 nan 0.000 0.464 581 I N 0.735 121.186 120.570 -0.199 0.000 2.752 581 I HA 0.376 4.546 4.170 -0.001 0.000 0.295 581 I C -1.700 174.573 176.117 0.259 0.000 1.219 581 I CA -1.136 60.274 61.300 0.183 0.000 1.030 581 I CB 2.416 40.560 38.000 0.240 0.000 1.259 581 I HN 0.796 nan 8.210 nan 0.000 0.423 582 Y N 8.237 128.606 120.300 0.115 0.000 2.327 582 Y HA 0.623 5.172 4.550 -0.001 0.000 0.336 582 Y C -1.150 174.728 175.900 -0.036 0.000 1.035 582 Y CA -0.520 57.533 58.100 -0.079 0.000 1.165 582 Y CB 0.778 38.936 38.460 -0.504 0.000 1.181 582 Y HN 0.257 nan 8.280 nan 0.000 0.494 583 I N 6.492 126.668 120.570 -0.656 0.000 2.436 583 I HA 0.269 4.438 4.170 -0.001 0.000 0.289 583 I C -0.290 175.342 176.117 -0.808 0.000 1.010 583 I CA -0.808 60.142 61.300 -0.584 0.000 1.098 583 I CB 1.691 39.550 38.000 -0.235 0.000 1.266 583 I HN 0.714 nan 8.210 nan 0.000 0.434 584 E N 3.640 123.444 120.200 -0.660 0.000 2.319 584 E HA 0.438 4.788 4.350 -0.001 0.000 0.268 584 E C 1.050 177.558 176.600 -0.154 0.000 1.050 584 E CA 0.440 56.625 56.400 -0.359 0.000 0.878 584 E CB 1.123 30.767 29.700 -0.093 0.000 1.066 584 E HN 0.863 nan 8.360 nan 0.000 0.406 585 G N 2.963 111.716 108.800 -0.079 0.000 2.184 585 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.264 585 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.264 585 G C 0.231 175.110 174.900 -0.036 0.000 0.975 585 G CA 0.299 45.378 45.100 -0.035 0.000 0.642 585 G HN 0.464 nan 8.290 nan 0.000 0.536 586 L N 1.070 122.259 121.223 -0.057 0.000 2.485 586 L HA 0.481 4.821 4.340 -0.001 0.000 0.279 586 L C 0.929 177.787 176.870 -0.021 0.000 1.124 586 L CA 0.214 55.030 54.840 -0.039 0.000 0.888 586 L CB 0.118 42.147 42.059 -0.051 0.000 1.217 586 L HN 0.315 nan 8.230 nan 0.000 0.464 596 R N 4.206 124.703 120.500 -0.004 0.000 2.265 596 R HA 0.807 5.146 4.340 -0.001 0.000 0.319 596 R C -0.891 175.398 176.300 -0.018 0.000 1.006 596 R CA -0.484 55.599 56.100 -0.028 0.000 0.880 596 R CB 1.868 32.167 30.300 -0.001 0.000 1.077 596 R HN 0.530 nan 8.270 nan 0.000 0.454 597 L N 2.722 123.884 121.223 -0.101 0.000 2.322 597 L HA 0.509 4.848 4.340 -0.001 0.000 0.269 597 L C -0.081 176.644 176.870 -0.242 0.000 1.012 597 L CA -0.890 53.916 54.840 -0.056 0.000 0.815 597 L CB 1.712 43.754 42.059 -0.029 0.000 1.295 597 L HN 0.501 nan 8.230 nan 0.000 0.438 598 H N 2.616 121.713 119.070 0.046 0.000 2.823 598 H HA 0.389 4.944 4.556 -0.001 0.000 0.332 598 H C -1.199 174.161 175.328 0.053 0.000 0.980 598 H CA -0.563 55.509 56.048 0.041 0.000 1.286 598 H CB 2.274 32.057 29.762 0.034 0.000 1.541 598 H HN 0.271 nan 8.280 nan 0.000 0.521 599 I N 3.718 124.327 120.570 0.065 0.000 2.339 599 I HA 0.090 4.259 4.170 -0.001 0.000 0.290 599 I C 0.424 176.519 176.117 -0.037 0.000 0.994 599 I CA -0.303 60.984 61.300 -0.023 0.000 1.191 599 I CB 1.285 39.220 38.000 -0.109 0.000 1.343 599 I HN 0.539 nan 8.210 nan 0.000 0.458 600 E N 5.814 125.978 120.200 -0.061 0.000 2.227 600 E HA 0.873 5.222 4.350 -0.001 0.000 0.268 600 E C -1.309 175.132 176.600 -0.265 0.000 0.907 600 E CA -1.288 55.041 56.400 -0.119 0.000 0.786 600 E CB 2.113 31.766 29.700 -0.079 0.000 1.191 600 E HN 0.526 nan 8.360 nan 0.000 0.411 601 A N 3.199 125.816 122.820 -0.339 0.000 2.292 601 A HA 0.524 4.843 4.320 -0.001 0.000 0.319 601 A C -0.995 176.252 177.584 -0.561 0.000 1.206 601 A CA -0.749 50.893 52.037 -0.658 0.000 0.835 601 A CB 0.426 19.066 19.000 -0.599 0.000 1.164 601 A HN 0.472 nan 8.150 nan 0.000 0.505 602 L N 2.272 123.052 121.223 -0.739 0.000 2.307 602 L HA 0.445 4.784 4.340 -0.001 0.000 0.284 602 L C 1.075 177.661 176.870 -0.473 0.000 1.023 602 L CA 0.168 54.629 54.840 -0.631 0.000 0.810 602 L CB 1.704 43.191 42.059 -0.954 0.000 1.231 602 L HN 0.848 nan 8.230 nan 0.000 0.423 603 S N 1.170 116.712 115.700 -0.263 0.000 2.626 603 S HA 0.184 4.654 4.470 -0.001 0.000 0.257 603 S C 0.959 175.558 174.600 -0.002 0.000 1.288 603 S CA -0.481 57.648 58.200 -0.117 0.000 0.980 603 S CB 0.572 63.741 63.200 -0.052 0.000 0.975 603 S HN 0.604 nan 8.310 nan 0.000 0.577 604 E N 0.665 120.914 120.200 0.081 0.000 2.209 604 E HA -0.089 4.261 4.350 -0.001 0.000 0.196 604 E C 1.603 178.331 176.600 0.214 0.000 0.993 604 E CA 1.451 57.956 56.400 0.174 0.000 0.819 604 E CB -0.806 28.969 29.700 0.126 0.000 0.745 604 E HN 0.784 nan 8.360 nan 0.000 0.477 605 T N 0.155 114.806 114.554 0.161 0.000 3.169 605 T HA 0.035 4.384 4.350 -0.001 0.000 0.250 605 T C -0.031 174.859 174.700 0.316 0.000 1.111 605 T CA -0.200 61.997 62.100 0.163 0.000 1.010 605 T CB -0.150 68.768 68.868 0.083 0.000 0.984 605 T HN 0.053 nan 8.240 nan 0.000 0.537 606 F N 0.242 120.171 119.950 -0.035 0.000 2.988 606 F HA -0.185 4.342 4.527 -0.001 0.000 0.287 606 F C 0.335 176.095 175.800 -0.066 0.000 0.781 606 F CA -0.524 57.436 58.000 -0.067 0.000 1.221 606 F CB -2.392 36.590 39.000 -0.031 0.000 1.392 606 F HN -0.010 nan 8.300 nan 0.000 0.425 607 V N 1.954 121.900 119.914 0.054 0.000 2.470 607 V HA 0.228 4.347 4.120 -0.001 0.000 0.276 607 V C -1.612 174.420 176.094 -0.103 0.000 1.040 607 V CA -1.150 61.143 62.300 -0.011 0.000 1.008 607 V CB 0.748 32.566 31.823 -0.008 0.000 0.990 607 V HN -0.115 nan 8.190 nan 0.000 0.477 608 P HA 0.289 nan 4.420 nan 0.000 0.282 608 P C -0.311 176.912 177.300 -0.129 0.000 1.249 608 P CA -0.381 62.624 63.100 -0.159 0.000 0.806 608 P CB 0.953 32.574 31.700 -0.131 0.000 0.984 609 S N 0.902 116.512 115.700 -0.149 0.000 2.645 609 S HA 0.271 4.740 4.470 -0.001 0.000 0.266 609 S C -0.041 174.507 174.600 -0.087 0.000 1.258 609 S CA -0.618 57.515 58.200 -0.112 0.000 0.990 609 S CB 0.036 63.161 63.200 -0.125 0.000 0.967 609 S HN 0.271 nan 8.310 nan 0.000 0.556 610 D N 1.336 121.699 120.400 -0.063 0.000 2.443 610 D HA 0.399 5.039 4.640 -0.001 0.000 0.239 610 D C 0.206 176.487 176.300 -0.032 0.000 1.136 610 D CA 0.408 54.381 54.000 -0.045 0.000 0.879 610 D CB 0.748 41.530 40.800 -0.031 0.000 1.195 610 D HN 0.817 nan 8.370 nan 0.000 0.443 611 A N 2.893 125.710 122.820 -0.005 0.000 2.409 611 A HA 0.232 4.552 4.320 -0.001 0.000 0.267 611 A C 0.602 178.214 177.584 0.047 0.000 1.127 611 A CA -0.371 51.692 52.037 0.043 0.000 0.795 611 A CB 0.235 19.316 19.000 0.135 0.000 1.061 611 A HN 0.472 nan 8.150 nan 0.000 0.502 612 R N 2.618 123.122 120.500 0.007 0.000 2.442 612 R HA 0.359 4.699 4.340 -0.001 0.000 0.291 612 R C -0.198 176.062 176.300 -0.066 0.000 1.069 612 R CA 0.382 56.470 56.100 -0.019 0.000 1.022 612 R CB 0.111 30.396 30.300 -0.025 0.000 0.976 612 R HN 0.756 nan 8.270 nan 0.000 0.443 613 M N 4.976 124.511 119.600 -0.108 0.000 2.233 613 M HA 0.345 4.825 4.480 -0.001 0.000 0.355 613 M C -0.594 175.604 176.300 -0.169 0.000 1.191 613 M CA -0.404 54.742 55.300 -0.257 0.000 1.101 613 M CB 1.350 33.826 32.600 -0.206 0.000 1.592 613 M HN 0.355 nan 8.290 nan 0.000 0.461 614 I N 2.242 122.696 120.570 -0.193 0.000 2.533 614 I HA 0.372 4.541 4.170 -0.001 0.000 0.290 614 I C -0.516 175.543 176.117 -0.096 0.000 1.056 614 I CA -0.548 60.691 61.300 -0.101 0.000 1.057 614 I CB 1.853 39.819 38.000 -0.056 0.000 1.240 614 I HN 0.605 nan 8.210 nan 0.000 0.423 615 D N 0.000 120.363 120.400 -0.061 0.000 6.856 615 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 615 D CA 0.000 53.972 54.000 -0.047 0.000 0.868 615 D CB 0.000 40.778 40.800 -0.037 0.000 0.688 615 D HN 0.000 nan 8.370 nan 0.000 0.683