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 3fha_1_B DATA FIRST_RESID 2 DATA SEQUENCE TYNGPLSSHW FPEELAQWEP DSDPDAPFNR SHVPLEPXRV ANRVNANADK 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 WEGLFPEXEK AHTSLGLYRP DATA SEQUENCE DWAFQSSETM EAFYEKELQF WVGSTGNPAE TDGQSNWPGM AHWFPAKSTA DATA SEQUENCE TSVPFVTHFN TGSGAQFSAE GKTVSEQEWN NRSLQDVLPT WRWIQHGGDL DATA SEQUENCE EATFSWEEAF EGGSSLQWHG SLAEGEHAQI ELYQTELPXX XXXXLTWTFK DATA SEQUENCE SEHDNDLNVG FRLDXEEDFR YVEGEQRESI NGWTQWTLXX XXXXXQTITG DATA SEQUENCE LAFAAEGNXX GLAEFYTGQL AVGXXSEKPA APNVNVRQYD PDPSGIQLVW DATA SEQUENCE EKQSNVHHYR VYKEXXXGKE LIGTSAGDRI YIEGLXXXXX 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 0.000 174.784 174.700 0.139 0.000 1.109 2 T CA 0.000 62.159 62.100 0.099 0.000 1.349 2 T CB 0.000 68.908 68.868 0.067 0.000 0.612 3 Y N 2.394 122.716 120.300 0.035 0.000 2.359 3 Y HA 0.482 5.517 4.550 0.808 0.000 0.334 3 Y C 0.925 176.836 175.900 0.018 0.000 1.058 3 Y CA -0.043 58.080 58.100 0.038 0.000 1.244 3 Y CB 0.678 39.151 38.460 0.021 0.000 1.187 3 Y HN 0.799 nan 8.280 nan 0.000 0.510 4 N N 3.929 122.316 118.700 -0.521 0.000 2.238 4 N HA 0.147 5.369 4.740 0.804 0.000 0.235 4 N C 0.140 175.201 175.510 -0.748 0.000 1.209 4 N CA -0.064 52.726 53.050 -0.433 0.000 0.879 4 N CB 0.695 39.108 38.487 -0.123 0.000 1.136 4 N HN 0.879 nan 8.380 nan 0.000 0.517 5 G N 1.223 108.990 108.800 -1.721 0.000 2.568 5 G HA2 0.397 4.839 3.960 0.804 0.000 0.293 5 G HA3 0.397 4.839 3.960 0.804 0.000 0.293 5 G C -2.725 171.557 174.900 -1.030 0.000 1.347 5 G CA -0.913 43.000 45.100 -1.978 0.000 1.039 5 G HN -0.116 nan 8.290 nan 0.000 0.523 6 P HA 0.237 nan 4.420 nan 0.000 0.266 6 P C -0.605 176.629 177.300 -0.111 0.000 1.195 6 P CA 0.244 63.037 63.100 -0.512 0.000 0.768 6 P CB 0.645 31.741 31.700 -1.006 0.000 0.838 7 L N 1.147 122.356 121.223 -0.023 0.000 2.354 7 L HA 0.394 5.217 4.340 0.804 0.000 0.269 7 L C 0.691 177.542 176.870 -0.033 0.000 1.005 7 L CA -0.997 53.856 54.840 0.021 0.000 0.819 7 L CB 1.982 44.070 42.059 0.049 0.000 1.311 7 L HN 0.260 nan 8.230 nan 0.000 0.423 8 S N 0.700 116.368 115.700 -0.055 0.000 2.549 8 S HA 0.128 5.080 4.470 0.804 0.000 0.286 8 S C 0.211 174.710 174.600 -0.169 0.000 1.314 8 S CA -0.398 57.727 58.200 -0.125 0.000 1.062 8 S CB 0.401 63.529 63.200 -0.121 0.000 0.865 8 S HN 0.586 nan 8.310 nan 0.000 0.498 9 S N 2.915 118.441 115.700 -0.290 0.000 2.600 9 S HA 0.421 5.373 4.470 0.804 0.000 0.265 9 S C -0.537 173.610 174.600 -0.754 0.000 1.325 9 S CA -0.223 57.592 58.200 -0.642 0.000 1.002 9 S CB 0.249 62.977 63.200 -0.786 0.000 0.921 9 S HN 0.955 nan 8.310 nan 0.000 0.554 10 H N -2.070 116.333 119.070 -1.111 0.000 3.139 10 H HA 0.521 5.559 4.556 0.802 0.000 0.325 10 H C -2.174 172.631 175.328 -0.872 0.000 1.146 10 H CA -0.939 54.605 56.048 -0.839 0.000 1.351 10 H CB 0.076 29.570 29.762 -0.447 0.000 2.005 10 H HN 0.531 nan 8.280 nan 0.000 0.517 11 W N 2.812 124.020 121.300 -0.153 0.000 3.033 11 W HA 0.532 5.674 4.660 0.804 0.000 0.336 11 W C -1.288 174.996 176.519 -0.392 0.000 1.173 11 W CA -1.004 56.222 57.345 -0.199 0.000 1.185 11 W CB 1.812 31.180 29.460 -0.153 0.000 1.425 11 W HN 0.433 nan 8.180 nan 0.000 0.536 12 F N 1.462 121.456 119.950 0.074 0.000 2.403 12 F HA 0.293 5.304 4.527 0.807 0.000 0.326 12 F C -1.143 174.630 175.800 -0.046 0.000 1.081 12 F CA -2.026 55.873 58.000 -0.168 0.000 1.041 12 F CB 0.164 39.008 39.000 -0.260 0.000 1.234 12 F HN -0.020 nan 8.300 nan 0.000 0.503 13 P HA -0.196 nan 4.420 nan 0.000 0.216 13 P C 1.143 178.517 177.300 0.125 0.000 1.154 13 P CA 1.651 64.819 63.100 0.114 0.000 0.865 13 P CB 0.251 32.059 31.700 0.180 0.000 0.789 14 E N -0.605 119.694 120.200 0.164 0.000 2.285 14 E HA -0.110 4.722 4.350 0.804 0.000 0.194 14 E C 1.838 178.523 176.600 0.141 0.000 0.997 14 E CA 0.782 57.265 56.400 0.140 0.000 0.845 14 E CB -0.331 29.453 29.700 0.140 0.000 0.782 14 E HN 0.476 nan 8.360 nan 0.000 0.491 15 E N 0.539 120.859 120.200 0.199 0.000 2.072 15 E HA -0.133 4.699 4.350 0.804 0.000 0.190 15 E C 2.066 178.752 176.600 0.143 0.000 0.982 15 E CA 0.445 56.994 56.400 0.249 0.000 0.803 15 E CB -0.083 29.856 29.700 0.398 0.000 0.755 15 E HN 0.036 nan 8.360 nan 0.000 0.453 16 L N 1.253 122.459 121.223 -0.028 0.000 2.046 16 L HA -0.138 4.684 4.340 0.804 0.000 0.208 16 L C 2.249 179.028 176.870 -0.152 0.000 1.077 16 L CA 1.931 56.528 54.840 -0.405 0.000 0.747 16 L CB -0.600 41.206 42.059 -0.421 0.000 0.896 16 L HN 0.057 nan 8.230 nan 0.000 0.432 17 A N -0.547 122.255 122.820 -0.031 0.000 1.986 17 A HA -0.261 4.541 4.320 0.804 0.000 0.220 17 A C 1.948 179.544 177.584 0.019 0.000 1.171 17 A CA 1.976 54.017 52.037 0.008 0.000 0.640 17 A CB -0.619 18.405 19.000 0.040 0.000 0.811 17 A HN 0.784 nan 8.150 nan 0.000 0.451 18 Q N -2.560 117.267 119.800 0.045 0.000 2.198 18 Q HA 0.128 4.950 4.340 0.804 0.000 0.209 18 Q C 0.021 176.059 176.000 0.063 0.000 0.848 18 Q CA -0.674 55.154 55.803 0.042 0.000 0.974 18 Q CB -0.261 28.506 28.738 0.048 0.000 1.115 18 Q HN 0.636 nan 8.270 nan 0.000 0.494 19 W N 2.806 124.026 121.300 -0.133 0.000 2.368 19 W HA 0.169 5.312 4.660 0.805 0.000 0.316 19 W C -0.365 176.070 176.519 -0.140 0.000 1.375 19 W CA 0.206 57.470 57.345 -0.136 0.000 1.261 19 W CB 0.762 30.011 29.460 -0.351 0.000 1.298 19 W HN -0.042 nan 8.180 nan 0.000 0.539 20 E N 7.971 127.707 120.200 -0.772 0.000 2.218 20 E HA 0.201 5.034 4.350 0.804 0.000 0.263 20 E C -1.853 174.039 176.600 -1.180 0.000 0.879 20 E CA -2.132 53.738 56.400 -0.883 0.000 0.762 20 E CB 2.229 31.670 29.700 -0.431 0.000 1.166 20 E HN 0.190 nan 8.360 nan 0.000 0.415 21 P HA -0.146 nan 4.420 nan 0.000 0.216 21 P C 0.478 177.460 177.300 -0.529 0.000 1.153 21 P CA 1.143 63.537 63.100 -1.177 0.000 0.858 21 P CB 0.434 31.204 31.700 -1.550 0.000 0.789 22 D N -1.424 118.727 120.400 -0.416 0.000 2.310 22 D HA -0.075 5.048 4.640 0.804 0.000 0.212 22 D C 1.832 178.048 176.300 -0.140 0.000 0.965 22 D CA 1.327 55.209 54.000 -0.197 0.000 0.879 22 D CB -0.313 40.392 40.800 -0.159 0.000 0.921 22 D HN 0.297 nan 8.370 nan 0.000 0.510 23 S N -0.908 114.680 115.700 -0.187 0.000 2.497 23 S HA -0.023 4.930 4.470 0.804 0.000 0.218 23 S C 0.683 175.253 174.600 -0.050 0.000 1.023 23 S CA -0.420 57.716 58.200 -0.107 0.000 0.913 23 S CB 0.433 63.563 63.200 -0.116 0.000 0.800 23 S HN -0.100 nan 8.310 nan 0.000 0.505 24 D N 3.679 124.044 120.400 -0.059 0.000 2.346 24 D HA 0.297 5.419 4.640 0.804 0.000 0.260 24 D C -1.794 174.611 176.300 0.175 0.000 1.252 24 D CA -2.110 51.955 54.000 0.109 0.000 0.895 24 D CB 1.511 42.469 40.800 0.264 0.000 1.097 24 D HN 0.055 nan 8.370 nan 0.000 0.489 25 P HA -0.040 nan 4.420 nan 0.000 0.222 25 P C 0.270 177.847 177.300 0.461 0.000 1.147 25 P CA 0.721 63.957 63.100 0.227 0.000 0.790 25 P CB 0.440 32.168 31.700 0.047 0.000 0.780 26 D N -1.211 119.441 120.400 0.420 0.000 2.327 26 D HA 0.087 5.209 4.640 0.804 0.000 0.205 26 D C 1.995 178.612 176.300 0.528 0.000 0.989 26 D CA 0.616 54.899 54.000 0.472 0.000 0.873 26 D CB -0.686 40.275 40.800 0.269 0.000 0.955 26 D HN -0.022 nan 8.370 nan 0.000 0.515 27 A N 1.882 125.036 122.820 0.556 0.000 1.892 27 A HA -0.154 4.648 4.320 0.804 0.000 0.218 27 A C -0.265 177.722 177.584 0.673 0.000 1.188 27 A CA 1.485 53.985 52.037 0.771 0.000 0.631 27 A CB -1.539 17.888 19.000 0.712 0.000 0.822 27 A HN 0.200 nan 8.150 nan 0.000 0.447 28 P HA -0.079 nan 4.420 nan 0.000 0.220 28 P C 0.878 178.172 177.300 -0.010 0.000 1.148 28 P CA 0.823 64.017 63.100 0.157 0.000 0.803 28 P CB -0.195 31.468 31.700 -0.061 0.000 0.782 29 F N -0.568 119.442 119.950 0.099 0.000 2.407 29 F HA -0.024 4.983 4.527 0.800 0.000 0.299 29 F C 1.722 177.495 175.800 -0.043 0.000 1.097 29 F CA 0.875 58.884 58.000 0.015 0.000 1.422 29 F CB -0.761 38.233 39.000 -0.011 0.000 1.067 29 F HN -0.062 nan 8.300 nan 0.000 0.539 30 N N 0.133 118.868 118.700 0.058 0.000 2.280 30 N HA 0.054 5.276 4.740 0.804 0.000 0.192 30 N C -0.010 175.259 175.510 -0.403 0.000 1.109 30 N CA 0.117 52.976 53.050 -0.318 0.000 0.855 30 N CB 0.089 38.137 38.487 -0.731 0.000 0.974 30 N HN 0.185 nan 8.380 nan 0.000 0.482 31 R N 0.755 121.186 120.500 -0.115 0.000 2.389 31 R HA 0.179 5.001 4.340 0.804 0.000 0.295 31 R C 0.382 176.571 176.300 -0.186 0.000 1.075 31 R CA -0.099 55.922 56.100 -0.132 0.000 1.005 31 R CB 0.868 30.991 30.300 -0.296 0.000 0.987 31 R HN -0.078 nan 8.270 nan 0.000 0.452 32 S N 1.781 117.379 115.700 -0.169 0.000 2.545 32 S HA 0.085 5.037 4.470 0.804 0.000 0.275 32 S C 0.263 174.712 174.600 -0.252 0.000 1.299 32 S CA -0.522 57.600 58.200 -0.130 0.000 1.048 32 S CB 0.486 63.627 63.200 -0.098 0.000 0.938 32 S HN 0.652 nan 8.310 nan 0.000 0.496 33 H N 3.236 122.315 119.070 0.015 0.000 2.512 33 H HA 0.306 5.342 4.556 0.800 0.000 0.276 33 H C -0.802 174.554 175.328 0.048 0.000 1.126 33 H CA 0.022 56.090 56.048 0.032 0.000 1.060 33 H CB 0.557 30.342 29.762 0.038 0.000 1.646 33 H HN 0.281 nan 8.280 nan 0.000 0.571 34 V N 3.805 123.795 119.914 0.127 0.000 2.304 34 V HA 0.223 4.826 4.120 0.804 0.000 0.278 34 V C -2.208 174.007 176.094 0.202 0.000 1.018 34 V CA -1.723 60.649 62.300 0.121 0.000 0.814 34 V CB 1.728 33.595 31.823 0.073 0.000 1.021 34 V HN 0.099 nan 8.190 nan 0.000 0.440 35 P HA 0.142 nan 4.420 nan 0.000 0.272 35 P C -0.299 176.943 177.300 -0.097 0.000 1.230 35 P CA -0.522 62.610 63.100 0.054 0.000 0.788 35 P CB 0.626 32.333 31.700 0.011 0.000 0.949 36 L N 2.350 123.300 121.223 -0.455 0.000 2.534 36 L HA 0.039 4.861 4.340 0.804 0.000 0.271 36 L C 0.384 177.135 176.870 -0.199 0.000 1.178 36 L CA 0.529 55.035 54.840 -0.557 0.000 0.907 36 L CB -0.596 41.086 42.059 -0.630 0.000 1.164 36 L HN 0.238 nan 8.230 nan 0.000 0.482 37 E N 7.053 127.185 120.200 -0.113 0.000 2.265 37 E HA 0.182 5.014 4.350 0.804 0.000 0.272 37 E C -2.027 174.547 176.600 -0.044 0.000 1.067 37 E CA -1.396 54.974 56.400 -0.050 0.000 0.900 37 E CB 0.261 29.950 29.700 -0.019 0.000 1.017 37 E HN 0.533 nan 8.360 nan 0.000 0.431 41 V N 1.276 121.182 119.914 -0.012 0.000 2.581 41 V HA 0.882 5.485 4.120 0.804 0.000 0.303 41 V C -0.523 175.577 176.094 0.010 0.000 1.041 41 V CA -0.391 61.908 62.300 -0.003 0.000 0.907 41 V CB 1.727 33.534 31.823 -0.026 0.000 0.994 41 V HN 0.923 nan 8.190 nan 0.000 0.442 42 A N 4.955 127.802 122.820 0.045 0.000 2.294 42 A HA 0.760 5.563 4.320 0.804 0.000 0.330 42 A C -0.116 177.528 177.584 0.100 0.000 1.133 42 A CA -0.723 51.362 52.037 0.079 0.000 0.836 42 A CB 0.776 19.841 19.000 0.109 0.000 1.190 42 A HN 1.008 nan 8.150 nan 0.000 0.492 43 N N 0.003 118.796 118.700 0.156 0.000 2.448 43 N HA 0.398 5.620 4.740 0.804 0.000 0.274 43 N C -0.304 175.331 175.510 0.209 0.000 1.239 43 N CA -0.621 52.584 53.050 0.257 0.000 0.982 43 N CB 0.715 39.494 38.487 0.487 0.000 1.199 43 N HN 0.568 nan 8.380 nan 0.000 0.576 44 R N -0.625 119.993 120.500 0.198 0.000 2.616 44 R HA 0.254 5.077 4.340 0.804 0.000 0.427 44 R C 0.691 177.037 176.300 0.077 0.000 1.030 44 R CA -0.204 55.962 56.100 0.109 0.000 1.133 44 R CB 0.215 30.556 30.300 0.067 0.000 1.444 44 R HN 0.303 nan 8.270 nan 0.000 0.578 45 V N 0.920 120.905 119.914 0.119 0.000 2.548 45 V HA -0.038 4.564 4.120 0.804 0.000 0.249 45 V C 0.622 176.716 176.094 -0.000 0.000 1.055 45 V CA 1.286 63.595 62.300 0.015 0.000 1.065 45 V CB -0.056 31.726 31.823 -0.068 0.000 0.681 45 V HN 0.320 nan 8.190 nan 0.000 0.462 46 N N -0.318 118.399 118.700 0.030 0.000 2.425 46 N HA 0.273 5.495 4.740 0.804 0.000 0.268 46 N C 0.764 176.228 175.510 -0.077 0.000 0.991 46 N CA 0.585 53.612 53.050 -0.039 0.000 0.931 46 N CB 1.914 40.367 38.487 -0.057 0.000 1.130 46 N HN 0.216 nan 8.380 nan 0.000 0.493 47 A N 3.927 126.688 122.820 -0.098 0.000 1.969 47 A HA -0.157 4.646 4.320 0.804 0.000 0.218 47 A C 1.843 179.336 177.584 -0.151 0.000 1.169 47 A CA 1.308 53.286 52.037 -0.099 0.000 0.635 47 A CB -0.363 18.588 19.000 -0.081 0.000 0.810 47 A HN 0.793 nan 8.150 nan 0.000 0.445 48 N N 0.010 118.559 118.700 -0.252 0.000 2.354 48 N HA 0.111 5.334 4.740 0.804 0.000 0.179 48 N C 0.732 176.020 175.510 -0.370 0.000 1.021 48 N CA 0.762 53.587 53.050 -0.375 0.000 0.887 48 N CB -0.349 37.711 38.487 -0.711 0.000 0.974 48 N HN 0.408 nan 8.380 nan 0.000 0.437 49 A N -0.083 122.543 122.820 -0.324 0.000 2.483 49 A HA 0.171 4.973 4.320 0.804 0.000 0.238 49 A C -0.161 177.325 177.584 -0.164 0.000 1.070 49 A CA 0.266 52.149 52.037 -0.256 0.000 0.770 49 A CB 0.105 19.026 19.000 -0.132 0.000 1.008 49 A HN 0.355 nan 8.150 nan 0.000 0.497 50 D N -0.390 119.911 120.400 -0.165 0.000 2.523 50 D HA 0.334 5.456 4.640 0.804 0.000 0.236 50 D C 0.290 176.544 176.300 -0.077 0.000 1.094 50 D CA -0.397 53.536 54.000 -0.112 0.000 0.942 50 D CB 1.735 42.463 40.800 -0.120 0.000 1.447 50 D HN 0.602 nan 8.370 nan 0.000 0.479 51 K N -0.302 120.061 120.400 -0.062 0.000 2.372 51 K HA 0.187 4.989 4.320 0.804 0.000 0.200 51 K C 0.116 176.642 176.600 -0.123 0.000 1.022 51 K CA 0.094 56.366 56.287 -0.025 0.000 1.125 51 K CB 0.783 33.291 32.500 0.013 0.000 0.855 51 K HN 0.094 nan 8.250 nan 0.000 0.524 52 D N 2.146 122.371 120.400 -0.291 0.000 2.202 52 D HA 0.017 5.140 4.640 0.804 0.000 0.214 52 D C 0.632 176.295 176.300 -1.062 0.000 0.967 52 D CA 0.573 54.158 54.000 -0.691 0.000 0.871 52 D CB -0.039 40.274 40.800 -0.812 0.000 1.020 52 D HN 0.332 nan 8.370 nan 0.000 0.474 53 A N 1.730 124.157 122.820 -0.655 0.000 2.462 53 A HA 0.196 4.999 4.320 0.804 0.000 0.243 53 A C -0.018 177.604 177.584 0.063 0.000 1.076 53 A CA 0.051 51.934 52.037 -0.256 0.000 0.773 53 A CB 0.141 19.244 19.000 0.171 0.000 1.010 53 A HN 0.168 nan 8.150 nan 0.000 0.493 54 H N 0.143 119.426 119.070 0.355 0.000 2.615 54 H HA 0.634 5.673 4.556 0.804 0.000 0.346 54 H C -0.934 174.650 175.328 0.426 0.000 1.200 54 H CA -0.891 55.405 56.048 0.413 0.000 1.264 54 H CB 1.589 31.595 29.762 0.406 0.000 1.699 54 H HN 0.597 nan 8.280 nan 0.000 0.567 55 L N 1.836 123.293 121.223 0.389 0.000 2.404 55 L HA 0.366 5.188 4.340 0.804 0.000 0.272 55 L C -0.744 176.301 176.870 0.292 0.000 0.980 55 L CA -0.949 54.004 54.840 0.187 0.000 0.836 55 L CB 1.120 42.952 42.059 -0.378 0.000 1.238 55 L HN 0.429 nan 8.230 nan 0.000 0.408 56 V N 1.476 121.576 119.914 0.309 0.000 2.472 56 V HA 0.658 5.260 4.120 0.804 0.000 0.290 56 V C -0.091 176.133 176.094 0.215 0.000 1.037 56 V CA -0.326 62.056 62.300 0.138 0.000 0.908 56 V CB 1.565 33.326 31.823 -0.104 0.000 0.985 56 V HN 0.768 nan 8.190 nan 0.000 0.454 57 S N 4.106 119.891 115.700 0.141 0.000 2.449 57 S HA 0.717 5.669 4.470 0.804 0.000 0.310 57 S C -0.781 173.787 174.600 -0.053 0.000 1.096 57 S CA -0.571 57.682 58.200 0.089 0.000 1.095 57 S CB 0.856 64.089 63.200 0.055 0.000 1.007 57 S HN 0.691 nan 8.310 nan 0.000 0.474 58 L N 4.934 126.086 121.223 -0.118 0.000 2.353 58 L HA 0.454 5.276 4.340 0.804 0.000 0.269 58 L C -0.165 176.481 176.870 -0.374 0.000 1.085 58 L CA 0.266 54.940 54.840 -0.277 0.000 0.938 58 L CB 0.569 42.354 42.059 -0.457 0.000 1.312 58 L HN 0.536 nan 8.230 nan 0.000 0.429 59 S N 1.446 116.972 115.700 -0.290 0.000 2.454 59 S HA 0.680 5.632 4.470 0.804 0.000 0.306 59 S C 0.394 174.822 174.600 -0.287 0.000 1.100 59 S CA -0.738 57.253 58.200 -0.349 0.000 1.087 59 S CB 1.785 64.721 63.200 -0.441 0.000 1.019 59 S HN 0.527 nan 8.310 nan 0.000 0.480 60 A N 3.617 126.264 122.820 -0.289 0.000 2.906 60 A HA 0.313 5.115 4.320 0.804 0.000 0.289 60 A C 0.967 178.327 177.584 -0.373 0.000 1.675 60 A CA -0.309 51.549 52.037 -0.297 0.000 1.372 60 A CB -0.944 17.938 19.000 -0.197 0.000 1.091 60 A HN 0.936 nan 8.150 nan 0.000 0.579 61 L N 0.407 121.380 121.223 -0.416 0.000 2.275 61 L HA -0.041 4.781 4.340 0.804 0.000 0.215 61 L C 0.361 177.043 176.870 -0.314 0.000 1.119 61 L CA 0.592 55.243 54.840 -0.315 0.000 0.790 61 L CB -0.228 41.765 42.059 -0.110 0.000 0.919 61 L HN 0.544 nan 8.230 nan 0.000 0.443 62 N N -0.656 117.841 118.700 -0.338 0.000 2.346 62 N HA 0.159 5.381 4.740 0.804 0.000 0.289 62 N C 0.471 175.806 175.510 -0.291 0.000 1.027 62 N CA -0.302 52.595 53.050 -0.255 0.000 0.864 62 N CB 2.041 40.472 38.487 -0.094 0.000 1.370 62 N HN -0.050 nan 8.380 nan 0.000 0.481 63 R N 1.032 121.363 120.500 -0.281 0.000 2.091 63 R HA -0.080 4.742 4.340 0.804 0.000 0.238 63 R C -0.138 175.870 176.300 -0.487 0.000 1.136 63 R CA 1.381 57.252 56.100 -0.381 0.000 0.959 63 R CB 0.136 30.177 30.300 -0.432 0.000 0.856 63 R HN 0.561 nan 8.270 nan 0.000 0.437 64 H N -1.305 117.699 119.070 -0.110 0.000 2.529 64 H HA 0.152 5.191 4.556 0.806 0.000 0.348 64 H C 0.656 175.900 175.328 -0.140 0.000 1.152 64 H CA -0.449 55.529 56.048 -0.117 0.000 1.202 64 H CB 2.227 31.937 29.762 -0.087 0.000 1.562 64 H HN -0.040 nan 8.280 nan 0.000 0.515 65 T N 1.416 115.940 114.554 -0.050 0.000 2.737 65 T HA -0.076 4.756 4.350 0.804 0.000 0.265 65 T C 1.163 175.757 174.700 -0.176 0.000 1.038 65 T CA 1.368 63.380 62.100 -0.148 0.000 1.144 65 T CB 0.014 68.726 68.868 -0.260 0.000 0.866 65 T HN 0.675 nan 8.240 nan 0.000 0.434 66 S N -0.374 115.191 115.700 -0.225 0.000 2.672 66 S HA 0.536 5.488 4.470 0.804 0.000 0.276 66 S C 1.216 175.808 174.600 -0.014 0.000 1.207 66 S CA -0.091 58.006 58.200 -0.172 0.000 1.002 66 S CB 1.254 64.315 63.200 -0.231 0.000 0.998 66 S HN 0.778 nan 8.310 nan 0.000 0.542 67 G N -0.328 108.502 108.800 0.050 0.000 2.153 67 G HA2 -0.205 4.237 3.960 0.804 0.000 0.252 67 G HA3 -0.205 4.237 3.960 0.804 0.000 0.252 67 G C -0.094 174.823 174.900 0.028 0.000 0.994 67 G CA 0.036 45.168 45.100 0.053 0.000 0.698 67 G HN 1.198 nan 8.290 nan 0.000 0.521 68 V N 1.878 121.804 119.914 0.021 0.000 2.353 68 V HA 0.328 4.930 4.120 0.804 0.000 0.264 68 V C -1.392 174.668 176.094 -0.057 0.000 1.049 68 V CA -1.510 60.776 62.300 -0.022 0.000 0.896 68 V CB 1.174 32.998 31.823 0.002 0.000 1.025 68 V HN 0.115 nan 8.190 nan 0.000 0.475 69 P HA 0.061 nan 4.420 nan 0.000 0.265 69 P C 0.961 178.203 177.300 -0.098 0.000 1.187 69 P CA 0.420 63.379 63.100 -0.235 0.000 0.766 69 P CB 0.631 32.000 31.700 -0.551 0.000 0.820 70 S N 1.564 117.238 115.700 -0.044 0.000 2.370 70 S HA -0.182 4.770 4.470 0.804 0.000 0.226 70 S C 0.887 175.489 174.600 0.004 0.000 1.033 70 S CA 1.486 59.672 58.200 -0.024 0.000 1.011 70 S CB -0.297 62.913 63.200 0.017 0.000 0.852 70 S HN 0.603 nan 8.310 nan 0.000 0.457 71 Q N -0.200 119.618 119.800 0.030 0.000 2.144 71 Q HA 0.457 5.280 4.340 0.804 0.000 0.305 71 Q C 0.143 176.187 176.000 0.075 0.000 0.876 71 Q CA -0.133 55.715 55.803 0.074 0.000 1.130 71 Q CB 1.293 30.114 28.738 0.139 0.000 1.267 71 Q HN 0.440 nan 8.270 nan 0.000 0.433 72 G N 0.605 109.424 108.800 0.033 0.000 2.603 72 G HA2 0.186 4.629 3.960 0.804 0.000 0.686 72 G HA3 0.186 4.629 3.960 0.804 0.000 0.686 72 G C -1.266 173.634 174.900 0.000 0.000 1.286 72 G CA -0.574 44.560 45.100 0.057 0.000 0.871 72 G HN 0.492 nan 8.290 nan 0.000 0.568 73 A N -0.346 122.497 122.820 0.038 0.000 2.612 73 A HA 0.920 5.722 4.320 0.804 0.000 0.293 73 A C -2.812 174.828 177.584 0.094 0.000 1.075 73 A CA -0.469 51.564 52.037 -0.007 0.000 0.680 73 A CB 2.156 21.096 19.000 -0.100 0.000 1.279 73 A HN 1.014 nan 8.150 nan 0.000 0.411 74 P HA 0.313 nan 4.420 nan 0.000 0.225 74 P C -0.869 176.504 177.300 0.122 0.000 1.768 74 P CA 0.281 63.468 63.100 0.144 0.000 0.943 74 P CB -0.273 31.498 31.700 0.118 0.000 1.936 75 V N 2.522 122.502 119.914 0.111 0.000 2.524 75 V HA 0.152 4.754 4.120 0.804 0.000 0.297 75 V C 0.897 177.050 176.094 0.098 0.000 1.035 75 V CA -0.534 61.823 62.300 0.096 0.000 0.867 75 V CB 1.575 33.429 31.823 0.053 0.000 1.004 75 V HN 0.066 nan 8.190 nan 0.000 0.426 76 F N 5.105 125.016 119.950 -0.065 0.000 2.113 76 F HA -0.007 4.998 4.527 0.797 0.000 0.297 76 F C 0.896 176.637 175.800 -0.098 0.000 1.103 76 F CA 1.139 59.042 58.000 -0.161 0.000 1.248 76 F CB -0.139 38.777 39.000 -0.140 0.000 0.999 76 F HN 0.479 nan 8.300 nan 0.000 0.475 77 Y N 2.481 122.612 120.300 -0.283 0.000 2.616 77 Y HA 0.378 5.417 4.550 0.816 0.000 0.350 77 Y C -0.444 175.437 175.900 -0.033 0.000 1.119 77 Y CA -0.472 57.434 58.100 -0.323 0.000 1.467 77 Y CB -0.775 37.510 38.460 -0.291 0.000 1.287 77 Y HN 0.127 nan 8.280 nan 0.000 0.504 78 E N 2.987 122.965 120.200 -0.370 0.000 2.367 78 E HA 0.245 5.077 4.350 0.804 0.000 0.273 78 E C -1.319 174.757 176.600 -0.874 0.000 0.903 78 E CA -0.863 55.260 56.400 -0.462 0.000 0.764 78 E CB 0.908 30.447 29.700 -0.269 0.000 1.252 78 E HN 0.368 nan 8.360 nan 0.000 0.446 79 N N 1.811 119.646 118.700 -1.442 0.000 2.498 79 N HA -0.004 5.218 4.740 0.804 0.000 0.277 79 N C -0.576 174.720 175.510 -0.358 0.000 1.208 79 N CA 0.346 52.542 53.050 -1.422 0.000 1.029 79 N CB -0.153 37.447 38.487 -1.478 0.000 1.403 79 N HN 0.444 nan 8.380 nan 0.000 0.500 80 T N 2.238 116.832 114.554 0.066 0.000 3.285 80 T HA 0.119 4.951 4.350 0.804 0.000 0.232 80 T C 0.424 175.283 174.700 0.265 0.000 0.973 80 T CA -0.839 61.398 62.100 0.229 0.000 1.023 80 T CB -1.260 67.752 68.868 0.240 0.000 1.158 80 T HN 0.247 nan 8.240 nan 0.000 0.590 81 F N 3.214 123.170 119.950 0.011 0.000 2.568 81 F HA 0.176 5.196 4.527 0.822 0.000 0.394 81 F C 1.069 176.599 175.800 -0.450 0.000 1.032 81 F CA 0.834 58.667 58.000 -0.278 0.000 1.242 81 F CB 0.642 39.331 39.000 -0.518 0.000 0.966 81 F HN 0.506 nan 8.300 nan 0.000 0.560 82 S N 3.741 118.615 115.700 -1.376 0.000 2.900 82 S HA 0.182 5.134 4.470 0.804 0.000 0.253 82 S C -0.242 173.507 174.600 -1.419 0.000 1.029 82 S CA -0.318 57.229 58.200 -1.087 0.000 1.096 82 S CB -0.637 62.140 63.200 -0.704 0.000 1.067 82 S HN 0.650 nan 8.310 nan 0.000 0.610 83 Y N 1.078 120.089 120.300 -2.149 0.000 2.801 83 Y HA 0.400 5.450 4.550 0.833 0.000 0.318 83 Y C 0.555 175.644 175.900 -1.351 0.000 1.073 83 Y CA -1.260 55.818 58.100 -1.702 0.000 1.360 83 Y CB -0.580 36.759 38.460 -1.869 0.000 1.220 83 Y HN 0.334 nan 8.280 nan 0.000 0.536 84 W N -0.406 120.460 121.300 -0.724 0.000 2.341 84 W HA -0.270 4.387 4.660 -0.005 0.000 0.283 84 W C 2.468 178.890 176.519 -0.162 0.000 1.215 84 W CA 1.599 58.839 57.345 -0.176 0.000 1.211 84 W CB -0.409 29.011 29.460 -0.068 0.000 1.131 84 W HN 0.430 nan 8.180 nan 0.000 0.552 85 H N -2.693 116.308 119.070 -0.116 0.000 2.521 85 H HA -0.126 4.897 4.556 0.779 0.000 0.286 85 H C 0.809 176.006 175.328 -0.219 0.000 1.034 85 H CA 1.144 57.054 56.048 -0.230 0.000 1.278 85 H CB -1.015 28.483 29.762 -0.440 0.000 1.386 85 H HN 0.241 nan 8.280 nan 0.000 0.567 86 Y N 1.613 121.845 120.300 -0.115 0.000 2.458 86 Y HA 0.247 5.284 4.550 0.811 0.000 0.256 86 Y C 0.639 176.629 175.900 0.150 0.000 1.159 86 Y CA -0.260 57.907 58.100 0.112 0.000 1.261 86 Y CB 0.546 39.176 38.460 0.282 0.000 1.119 86 Y HN 0.030 nan 8.280 nan 0.000 0.524 87 T N 0.796 115.491 114.554 0.235 0.000 2.829 87 T HA 0.152 4.985 4.350 0.804 0.000 0.282 87 T C 0.412 175.248 174.700 0.227 0.000 0.990 87 T CA -0.475 61.780 62.100 0.259 0.000 1.028 87 T CB 1.442 70.480 68.868 0.283 0.000 0.951 87 T HN 0.175 nan 8.240 nan 0.000 0.460 88 D N 0.987 121.510 120.400 0.205 0.000 2.380 88 D HA 0.171 5.293 4.640 0.804 0.000 0.212 88 D C -0.044 176.325 176.300 0.114 0.000 1.021 88 D CA 0.281 54.379 54.000 0.163 0.000 0.884 88 D CB 0.707 41.617 40.800 0.182 0.000 1.001 88 D HN 0.154 nan 8.370 nan 0.000 0.506 89 L N 0.832 122.122 121.223 0.112 0.000 2.493 89 L HA 0.406 5.228 4.340 0.804 0.000 0.265 89 L C -1.755 175.165 176.870 0.083 0.000 0.954 89 L CA -0.645 54.221 54.840 0.043 0.000 0.844 89 L CB 2.245 44.234 42.059 -0.117 0.000 1.302 89 L HN -0.244 nan 8.230 nan 0.000 0.405 90 M N 5.135 124.802 119.600 0.112 0.000 2.227 90 M HA 0.673 5.635 4.480 0.804 0.000 0.335 90 M C -1.751 174.586 176.300 0.061 0.000 1.053 90 M CA -0.372 54.995 55.300 0.111 0.000 0.973 90 M CB 1.590 34.344 32.600 0.257 0.000 1.623 90 M HN 0.249 nan 8.290 nan 0.000 0.434 91 V N 6.131 126.044 119.914 -0.003 0.000 2.370 91 V HA 0.257 4.859 4.120 0.804 0.000 0.283 91 V C -0.964 175.132 176.094 0.003 0.000 1.023 91 V CA -0.664 61.622 62.300 -0.023 0.000 0.857 91 V CB 0.961 32.658 31.823 -0.208 0.000 0.985 91 V HN 0.781 nan 8.190 nan 0.000 0.443 92 Y N 5.394 125.632 120.300 -0.102 0.000 2.587 92 Y HA 0.073 5.098 4.550 0.791 0.000 0.344 92 Y C 0.168 176.015 175.900 -0.089 0.000 1.061 92 Y CA 0.063 58.092 58.100 -0.118 0.000 1.370 92 Y CB 0.294 38.635 38.460 -0.198 0.000 1.163 92 Y HN 0.735 nan 8.280 nan 0.000 0.527 93 W N 8.354 129.335 121.300 -0.532 0.000 2.387 93 W HA 0.564 5.703 4.660 0.797 0.000 0.310 93 W C -1.272 174.926 176.519 -0.535 0.000 1.181 93 W CA -0.220 56.839 57.345 -0.476 0.000 1.333 93 W CB 0.594 29.780 29.460 -0.457 0.000 1.286 93 W HN 0.763 nan 8.180 nan 0.000 0.455 94 A N 3.960 126.277 122.820 -0.838 0.000 2.540 94 A HA 0.808 5.610 4.320 0.804 0.000 0.291 94 A C -0.362 176.890 177.584 -0.553 0.000 1.083 94 A CA -0.095 51.587 52.037 -0.593 0.000 0.650 94 A CB 0.857 19.667 19.000 -0.316 0.000 1.292 94 A HN 1.408 nan 8.150 nan 0.000 0.435 95 G N -0.937 107.666 108.800 -0.328 0.000 2.885 95 G HA2 0.625 5.067 3.960 0.804 0.000 0.685 95 G HA3 0.625 5.067 3.960 0.804 0.000 0.685 95 G C -0.524 174.383 174.900 0.012 0.000 1.216 95 G CA 0.318 45.325 45.100 -0.155 0.000 0.790 95 G HN 2.761 nan 8.290 nan 0.000 0.631 96 S N 0.170 115.891 115.700 0.035 0.000 2.567 96 S HA 0.891 5.843 4.470 0.804 0.000 0.270 96 S C 1.098 175.755 174.600 0.096 0.000 1.152 96 S CA 0.307 58.593 58.200 0.145 0.000 0.835 96 S CB 1.391 64.632 63.200 0.068 0.000 1.115 96 S HN 2.408 nan 8.310 nan 0.000 0.459 97 A N 1.379 124.350 122.820 0.251 0.000 1.972 97 A HA 0.229 5.031 4.320 0.804 0.000 0.219 97 A C 1.942 179.815 177.584 0.483 0.000 1.169 97 A CA 1.904 54.211 52.037 0.449 0.000 0.635 97 A CB -1.442 17.874 19.000 0.527 0.000 0.810 97 A HN 1.461 nan 8.150 nan 0.000 0.446 98 G N -1.121 107.862 108.800 0.306 0.000 2.494 98 G HA2 0.038 4.480 3.960 0.804 0.000 0.216 98 G HA3 0.038 4.480 3.960 0.804 0.000 0.216 98 G C 1.372 176.428 174.900 0.260 0.000 1.140 98 G CA 0.864 46.125 45.100 0.268 0.000 0.801 98 G HN 0.623 nan 8.290 nan 0.000 0.536 99 E N -1.288 118.959 120.200 0.077 0.000 2.332 99 E HA 0.406 5.239 4.350 0.804 0.000 0.202 99 E C 0.851 177.163 176.600 -0.480 0.000 0.877 99 E CA 0.400 56.701 56.400 -0.164 0.000 0.979 99 E CB 1.129 30.635 29.700 -0.323 0.000 0.969 99 E HN 0.340 nan 8.360 nan 0.000 0.495 100 G N 0.996 109.296 108.800 -0.834 0.000 2.343 100 G HA2 0.103 4.545 3.960 0.804 0.000 0.298 100 G HA3 0.103 4.545 3.960 0.804 0.000 0.298 100 G C -0.188 174.252 174.900 -0.766 0.000 1.644 100 G CA -0.561 43.743 45.100 -1.326 0.000 0.958 100 G HN 0.153 nan 8.290 nan 0.000 0.702 101 I N -1.627 118.492 120.570 -0.752 0.000 4.070 101 I HA 0.566 5.218 4.170 0.804 0.000 0.328 101 I C 0.135 176.089 176.117 -0.272 0.000 1.298 101 I CA -0.034 61.004 61.300 -0.437 0.000 1.173 101 I CB 0.357 38.043 38.000 -0.523 0.000 1.051 101 I HN 0.204 nan 8.210 nan 0.000 0.409 102 I N 2.771 123.232 120.570 -0.181 0.000 2.355 102 I HA 0.447 5.099 4.170 0.804 0.000 0.288 102 I C -0.851 175.382 176.117 0.192 0.000 0.999 102 I CA -0.889 60.434 61.300 0.040 0.000 1.163 102 I CB 2.044 40.091 38.000 0.078 0.000 1.316 102 I HN -0.049 nan 8.210 nan 0.000 0.454 103 V N 9.227 129.311 119.914 0.284 0.000 2.532 103 V HA 0.574 5.176 4.120 0.804 0.000 0.294 103 V C -2.498 173.684 176.094 0.147 0.000 1.036 103 V CA -1.793 60.606 62.300 0.166 0.000 0.876 103 V CB 2.348 34.195 31.823 0.040 0.000 1.012 103 V HN 0.452 nan 8.190 nan 0.000 0.432 104 P HA 0.419 nan 4.420 nan 0.000 0.274 104 P C -2.921 173.826 177.300 -0.922 0.000 1.237 104 P CA -1.839 60.955 63.100 -0.509 0.000 0.793 104 P CB 0.080 31.772 31.700 -0.013 0.000 0.977 105 P HA 0.051 nan 4.420 nan 0.000 0.271 105 P C 0.004 176.728 177.300 -0.959 0.000 1.218 105 P CA 0.027 62.169 63.100 -1.596 0.000 0.780 105 P CB 0.073 31.200 31.700 -0.954 0.000 0.901 106 S N 0.974 116.198 115.700 -0.794 0.000 2.585 106 S HA 0.316 5.268 4.470 0.804 0.000 0.273 106 S C 1.519 175.955 174.600 -0.274 0.000 1.339 106 S CA -0.043 57.928 58.200 -0.381 0.000 1.028 106 S CB 0.519 63.605 63.200 -0.190 0.000 0.906 106 S HN 0.533 nan 8.310 nan 0.000 0.528 107 A N 2.167 124.861 122.820 -0.210 0.000 1.908 107 A HA -0.195 4.607 4.320 0.804 0.000 0.218 107 A C 1.924 179.456 177.584 -0.087 0.000 1.181 107 A CA 1.828 53.779 52.037 -0.144 0.000 0.627 107 A CB -1.174 17.769 19.000 -0.094 0.000 0.818 107 A HN 1.003 nan 8.150 nan 0.000 0.445 108 D N 0.005 120.379 120.400 -0.044 0.000 2.123 108 D HA -0.131 4.991 4.640 0.804 0.000 0.196 108 D C 1.726 178.028 176.300 0.003 0.000 0.992 108 D CA 1.681 55.686 54.000 0.008 0.000 0.833 108 D CB -1.015 39.811 40.800 0.043 0.000 0.954 108 D HN 0.253 nan 8.370 nan 0.000 0.455 109 V N 0.717 120.624 119.914 -0.012 0.000 2.488 109 V HA -0.110 4.493 4.120 0.804 0.000 0.246 109 V C 2.691 178.744 176.094 -0.067 0.000 1.046 109 V CA 0.806 63.133 62.300 0.046 0.000 1.053 109 V CB -0.356 31.532 31.823 0.108 0.000 0.679 109 V HN 0.162 nan 8.190 nan 0.000 0.458 110 I N 0.160 120.617 120.570 -0.187 0.000 2.163 110 I HA -0.260 4.393 4.170 0.804 0.000 0.243 110 I C 2.301 178.174 176.117 -0.406 0.000 1.085 110 I CA 1.684 62.772 61.300 -0.355 0.000 1.347 110 I CB -0.558 37.227 38.000 -0.360 0.000 1.044 110 I HN 0.306 nan 8.210 nan 0.000 0.408 111 D N 1.199 121.466 120.400 -0.221 0.000 2.106 111 D HA -0.201 4.922 4.640 0.804 0.000 0.191 111 D C 2.274 178.480 176.300 -0.157 0.000 0.997 111 D CA 1.862 55.785 54.000 -0.128 0.000 0.834 111 D CB -0.350 40.424 40.800 -0.042 0.000 0.956 111 D HN 0.371 nan 8.370 nan 0.000 0.448 112 A N 0.313 123.024 122.820 -0.181 0.000 1.883 112 A HA -0.195 4.607 4.320 0.804 0.000 0.217 112 A C 2.364 179.426 177.584 -0.870 0.000 1.186 112 A CA 2.288 54.135 52.037 -0.318 0.000 0.624 112 A CB -0.889 18.084 19.000 -0.045 0.000 0.822 112 A HN 0.226 nan 8.150 nan 0.000 0.444 113 S N -1.261 113.870 115.700 -0.948 0.000 2.359 113 S HA -0.224 4.728 4.470 0.804 0.000 0.224 113 S C 1.888 176.256 174.600 -0.386 0.000 1.035 113 S CA 1.658 59.242 58.200 -1.028 0.000 1.018 113 S CB -0.582 62.388 63.200 -0.383 0.000 0.876 113 S HN 0.777 nan 8.310 nan 0.000 0.448 114 H N 0.063 118.952 119.070 -0.302 0.000 2.387 114 H HA 0.045 5.080 4.556 0.799 0.000 0.299 114 H C 2.566 177.806 175.328 -0.148 0.000 1.090 114 H CA 1.039 56.991 56.048 -0.160 0.000 1.332 114 H CB 0.028 29.738 29.762 -0.087 0.000 1.386 114 H HN 0.293 nan 8.280 nan 0.000 0.516 115 R N 0.572 121.040 120.500 -0.054 0.000 2.127 115 R HA -0.094 4.728 4.340 0.804 0.000 0.238 115 R C 1.122 177.379 176.300 -0.071 0.000 1.134 115 R CA 0.999 57.069 56.100 -0.049 0.000 0.975 115 R CB -0.000 30.269 30.300 -0.052 0.000 0.865 115 R HN 0.431 nan 8.270 nan 0.000 0.447 116 N N -0.412 118.181 118.700 -0.179 0.000 2.268 116 N HA 0.026 5.248 4.740 0.804 0.000 0.204 116 N C 0.501 175.990 175.510 -0.035 0.000 1.124 116 N CA 0.738 53.719 53.050 -0.115 0.000 0.838 116 N CB 1.346 39.708 38.487 -0.208 0.000 0.994 116 N HN 0.329 nan 8.380 nan 0.000 0.489 117 G N 0.817 109.593 108.800 -0.039 0.000 2.198 117 G HA2 -0.255 4.187 3.960 0.804 0.000 0.260 117 G HA3 -0.255 4.187 3.960 0.804 0.000 0.260 117 G C -0.111 174.802 174.900 0.022 0.000 1.025 117 G CA 0.103 45.194 45.100 -0.015 0.000 0.769 117 G HN 0.184 nan 8.290 nan 0.000 0.507 118 V N 1.558 121.498 119.914 0.044 0.000 2.347 118 V HA 0.423 5.025 4.120 0.804 0.000 0.280 118 V C -1.665 174.516 176.094 0.145 0.000 1.021 118 V CA -1.816 60.557 62.300 0.122 0.000 0.847 118 V CB 1.765 33.737 31.823 0.249 0.000 0.990 118 V HN 0.113 nan 8.190 nan 0.000 0.444 119 P HA 0.268 nan 4.420 nan 0.000 0.268 119 P C -0.533 176.867 177.300 0.166 0.000 1.205 119 P CA 0.138 63.325 63.100 0.145 0.000 0.771 119 P CB 0.813 32.565 31.700 0.087 0.000 0.858 120 I N 3.127 123.817 120.570 0.200 0.000 2.498 120 I HA 0.365 5.017 4.170 0.804 0.000 0.290 120 I C -1.182 174.999 176.117 0.107 0.000 1.032 120 I CA -1.081 60.295 61.300 0.127 0.000 1.073 120 I CB 1.062 39.100 38.000 0.062 0.000 1.251 120 I HN 0.097 nan 8.210 nan 0.000 0.426 121 L N 6.767 128.024 121.223 0.056 0.000 2.334 121 L HA 0.666 5.489 4.340 0.804 0.000 0.273 121 L C 0.705 177.478 176.870 -0.161 0.000 1.013 121 L CA -0.769 54.096 54.840 0.041 0.000 0.816 121 L CB 1.511 43.685 42.059 0.191 0.000 1.278 121 L HN 0.629 nan 8.230 nan 0.000 0.431 122 G N 0.589 109.112 108.800 -0.462 0.000 2.621 122 G HA2 0.134 4.576 3.960 0.804 0.000 0.271 122 G HA3 0.134 4.576 3.960 0.804 0.000 0.271 122 G C -0.731 174.291 174.900 0.203 0.000 1.236 122 G CA -0.384 44.404 45.100 -0.520 0.000 0.958 122 G HN 0.582 nan 8.290 nan 0.000 0.512 123 N N -0.922 118.007 118.700 0.381 0.000 2.354 123 N HA 0.415 5.637 4.740 0.804 0.000 0.287 123 N C -1.269 174.486 175.510 0.408 0.000 1.016 123 N CA -0.331 52.957 53.050 0.396 0.000 0.871 123 N CB 2.132 40.666 38.487 0.079 0.000 1.299 123 N HN 0.102 nan 8.380 nan 0.000 0.482 124 V N 4.475 124.581 119.914 0.319 0.000 2.378 124 V HA 0.435 5.037 4.120 0.804 0.000 0.288 124 V C -0.828 175.208 176.094 -0.097 0.000 1.016 124 V CA -0.754 61.547 62.300 0.000 0.000 0.840 124 V CB 0.723 32.501 31.823 -0.074 0.000 0.994 124 V HN 0.510 nan 8.190 nan 0.000 0.431 125 F N 6.724 126.409 119.950 -0.442 0.000 2.434 125 F HA 0.663 5.674 4.527 0.807 0.000 0.355 125 F C -0.987 174.580 175.800 -0.387 0.000 1.115 125 F CA -1.880 55.908 58.000 -0.353 0.000 1.010 125 F CB 1.130 39.945 39.000 -0.307 0.000 1.234 125 F HN 0.358 nan 8.300 nan 0.000 0.439 126 F N 7.632 127.403 119.950 -0.298 0.000 2.377 126 F HA 0.437 5.448 4.527 0.806 0.000 0.360 126 F C -2.193 173.263 175.800 -0.573 0.000 1.147 126 F CA -2.598 55.223 58.000 -0.298 0.000 1.170 126 F CB 0.198 39.147 39.000 -0.086 0.000 1.339 126 F HN 0.318 nan 8.300 nan 0.000 0.552 127 P HA 0.140 nan 4.420 nan 0.000 0.272 127 P C -2.545 174.736 177.300 -0.031 0.000 1.223 127 P CA -1.373 61.350 63.100 -0.628 0.000 0.784 127 P CB 0.137 31.669 31.700 -0.280 0.000 0.923 128 P HA -0.047 nan 4.420 nan 0.000 0.267 128 P C 1.133 178.481 177.300 0.079 0.000 1.200 128 P CA 0.428 63.630 63.100 0.170 0.000 0.772 128 P CB -0.098 31.764 31.700 0.269 0.000 0.855 129 T N -1.465 113.096 114.554 0.011 0.000 2.849 129 T HA -0.140 4.693 4.350 0.804 0.000 0.270 129 T C 1.556 176.218 174.700 -0.063 0.000 1.066 129 T CA 1.314 63.395 62.100 -0.031 0.000 1.130 129 T CB -1.223 67.616 68.868 -0.049 0.000 0.864 129 T HN 0.093 nan 8.240 nan 0.000 0.481 130 V N -0.009 119.811 119.914 -0.157 0.000 2.469 130 V HA -0.118 4.485 4.120 0.804 0.000 0.251 130 V C 1.588 177.489 176.094 -0.321 0.000 1.064 130 V CA 1.267 63.377 62.300 -0.317 0.000 1.066 130 V CB -1.043 30.446 31.823 -0.556 0.000 0.667 130 V HN 0.563 nan 8.190 nan 0.000 0.461 131 Y N 0.290 120.658 120.300 0.114 0.000 2.708 131 Y HA 0.565 5.598 4.550 0.806 0.000 0.287 131 Y C 1.619 177.603 175.900 0.140 0.000 1.145 131 Y CA -0.392 57.791 58.100 0.138 0.000 1.249 131 Y CB 0.072 38.646 38.460 0.189 0.000 1.152 131 Y HN 0.251 nan 8.280 nan 0.000 0.532 132 G N -0.465 108.441 108.800 0.178 0.000 2.141 132 G HA2 -0.222 4.220 3.960 0.804 0.000 0.242 132 G HA3 -0.222 4.220 3.960 0.804 0.000 0.242 132 G C 0.706 175.671 174.900 0.107 0.000 0.982 132 G CA -0.177 45.009 45.100 0.143 0.000 0.662 132 G HN 0.791 nan 8.290 nan 0.000 0.527 133 G N -0.631 108.222 108.800 0.088 0.000 2.432 133 G HA2 0.474 4.916 3.960 0.804 0.000 0.239 133 G HA3 0.474 4.916 3.960 0.804 0.000 0.239 133 G C -0.115 174.640 174.900 -0.242 0.000 1.291 133 G CA 0.104 45.224 45.100 0.033 0.000 0.863 133 G HN 0.330 nan 8.290 nan 0.000 0.560 134 Q N 1.665 121.172 119.800 -0.489 0.000 2.321 134 Q HA 0.253 5.076 4.340 0.804 0.000 0.270 134 Q C 1.250 177.055 176.000 -0.325 0.000 1.032 134 Q CA -0.762 54.649 55.803 -0.654 0.000 0.784 134 Q CB 2.212 30.093 28.738 -1.429 0.000 1.264 134 Q HN 0.514 nan 8.270 nan 0.000 0.448 135 L N 1.312 122.408 121.223 -0.212 0.000 2.081 135 L HA -0.266 4.556 4.340 0.804 0.000 0.212 135 L C 2.205 179.018 176.870 -0.096 0.000 1.080 135 L CA 1.620 56.386 54.840 -0.123 0.000 0.754 135 L CB 0.041 42.035 42.059 -0.108 0.000 0.893 135 L HN 0.796 nan 8.230 nan 0.000 0.433 136 E N -0.361 119.744 120.200 -0.158 0.000 2.097 136 E HA -0.277 4.555 4.350 0.804 0.000 0.196 136 E C 2.062 178.721 176.600 0.099 0.000 1.000 136 E CA 1.790 58.143 56.400 -0.079 0.000 0.804 136 E CB -0.107 29.501 29.700 -0.153 0.000 0.740 136 E HN 0.452 nan 8.360 nan 0.000 0.454 137 W N 0.461 121.814 121.300 0.089 0.000 2.358 137 W HA -0.157 4.986 4.660 0.806 0.000 0.303 137 W C 2.263 178.906 176.519 0.206 0.000 1.208 137 W CA 0.385 57.838 57.345 0.181 0.000 1.274 137 W CB -1.322 28.293 29.460 0.259 0.000 1.138 137 W HN 0.270 nan 8.180 nan 0.000 0.515 138 L N 1.262 122.643 121.223 0.263 0.000 2.017 138 L HA -0.183 4.640 4.340 0.804 0.000 0.208 138 L C 2.259 179.070 176.870 -0.098 0.000 1.073 138 L CA 2.069 56.780 54.840 -0.216 0.000 0.745 138 L CB -1.047 40.731 42.059 -0.469 0.000 0.894 138 L HN -0.168 nan 8.230 nan 0.000 0.432 139 E N -0.484 119.706 120.200 -0.017 0.000 2.153 139 E HA -0.249 4.583 4.350 0.804 0.000 0.194 139 E C 2.146 178.788 176.600 0.069 0.000 0.988 139 E CA 1.253 57.660 56.400 0.010 0.000 0.811 139 E CB -0.224 29.479 29.700 0.005 0.000 0.746 139 E HN 0.686 nan 8.360 nan 0.000 0.466 140 Q N -0.295 119.580 119.800 0.125 0.000 2.046 140 Q HA -0.068 4.754 4.340 0.804 0.000 0.200 140 Q C 2.208 178.306 176.000 0.163 0.000 0.975 140 Q CA 1.133 57.028 55.803 0.153 0.000 0.836 140 Q CB -0.060 28.805 28.738 0.211 0.000 0.896 140 Q HN 0.190 nan 8.270 nan 0.000 0.428 141 M N 0.090 119.794 119.600 0.173 0.000 2.202 141 M HA -0.127 4.835 4.480 0.804 0.000 0.262 141 M C 1.722 178.124 176.300 0.171 0.000 1.063 141 M CA 1.396 56.790 55.300 0.156 0.000 1.097 141 M CB -0.528 32.152 32.600 0.132 0.000 1.382 141 M HN 0.240 nan 8.290 nan 0.000 0.413 142 L N -0.494 120.796 121.223 0.111 0.000 2.629 142 L HA 0.077 4.900 4.340 0.804 0.000 0.230 142 L C 0.326 177.432 176.870 0.392 0.000 1.151 142 L CA -0.299 54.696 54.840 0.259 0.000 0.924 142 L CB -0.354 41.751 42.059 0.076 0.000 1.137 142 L HN 0.211 nan 8.230 nan 0.000 0.457 143 E N 1.434 121.786 120.200 0.254 0.000 2.414 143 E HA 0.053 4.885 4.350 0.804 0.000 0.263 143 E C -0.111 176.471 176.600 -0.030 0.000 1.000 143 E CA 0.338 56.802 56.400 0.107 0.000 0.914 143 E CB 0.620 30.363 29.700 0.072 0.000 0.948 143 E HN 0.167 nan 8.360 nan 0.000 0.444 144 Q N 2.459 122.121 119.800 -0.229 0.000 2.340 144 Q HA 0.143 4.965 4.340 0.804 0.000 0.268 144 Q C -0.815 174.981 176.000 -0.339 0.000 1.031 144 Q CA -0.779 54.682 55.803 -0.569 0.000 0.804 144 Q CB 1.290 29.589 28.738 -0.731 0.000 1.286 144 Q HN 0.410 nan 8.270 nan 0.000 0.448 145 E N 1.764 121.760 120.200 -0.340 0.000 2.342 145 E HA 0.014 4.846 4.350 0.804 0.000 0.257 145 E C 0.342 176.829 176.600 -0.189 0.000 1.150 145 E CA 0.006 56.283 56.400 -0.205 0.000 0.926 145 E CB 0.738 30.341 29.700 -0.160 0.000 1.074 145 E HN 0.700 nan 8.360 nan 0.000 0.449 146 E N 0.604 120.731 120.200 -0.122 0.000 2.097 146 E HA -0.234 4.599 4.350 0.804 0.000 0.196 146 E C 1.166 177.708 176.600 -0.096 0.000 1.000 146 E CA 1.120 57.463 56.400 -0.095 0.000 0.804 146 E CB 0.054 29.715 29.700 -0.064 0.000 0.740 146 E HN 0.378 nan 8.360 nan 0.000 0.454 147 D N -0.757 119.586 120.400 -0.095 0.000 2.218 147 D HA -0.206 4.916 4.640 0.804 0.000 0.194 147 D C 1.554 177.792 176.300 -0.103 0.000 1.007 147 D CA 1.884 55.835 54.000 -0.081 0.000 0.879 147 D CB -0.354 40.400 40.800 -0.077 0.000 0.918 147 D HN 0.452 nan 8.370 nan 0.000 0.449 148 G N -0.770 107.913 108.800 -0.194 0.000 2.195 148 G HA2 -0.277 4.165 3.960 0.804 0.000 0.246 148 G HA3 -0.277 4.165 3.960 0.804 0.000 0.246 148 G C 0.436 175.055 174.900 -0.469 0.000 0.984 148 G CA 0.795 45.739 45.100 -0.260 0.000 0.633 148 G HN 0.693 nan 8.290 nan 0.000 0.525 149 S N -0.196 115.243 115.700 -0.435 0.000 2.585 149 S HA 0.676 5.629 4.470 0.804 0.000 0.273 149 S C -0.209 173.871 174.600 -0.867 0.000 1.339 149 S CA -0.353 57.439 58.200 -0.680 0.000 1.028 149 S CB 0.916 63.986 63.200 -0.216 0.000 0.906 149 S HN 0.514 nan 8.310 nan 0.000 0.528 150 F N 2.367 121.715 119.950 -1.003 0.000 2.347 150 F HA 0.400 5.410 4.527 0.805 0.000 0.366 150 F C -1.771 173.919 175.800 -0.183 0.000 1.107 150 F CA -2.123 55.616 58.000 -0.434 0.000 1.058 150 F CB 1.706 40.492 39.000 -0.357 0.000 1.236 150 F HN 0.431 nan 8.300 nan 0.000 0.456 151 P HA -0.174 nan 4.420 nan 0.000 0.216 151 P C 1.456 178.816 177.300 0.101 0.000 1.150 151 P CA 1.314 64.449 63.100 0.059 0.000 0.837 151 P CB 0.241 31.958 31.700 0.029 0.000 0.786 152 L N -1.584 119.739 121.223 0.167 0.000 2.341 152 L HA 0.069 4.891 4.340 0.804 0.000 0.214 152 L C 2.387 179.357 176.870 0.167 0.000 1.115 152 L CA 1.039 55.976 54.840 0.161 0.000 0.820 152 L CB -1.338 40.843 42.059 0.203 0.000 0.944 152 L HN -0.111 nan 8.230 nan 0.000 0.452 153 A N -0.367 122.553 122.820 0.167 0.000 1.898 153 A HA -0.176 4.626 4.320 0.804 0.000 0.216 153 A C 1.974 179.579 177.584 0.035 0.000 1.181 153 A CA 1.631 53.624 52.037 -0.073 0.000 0.620 153 A CB -0.442 18.348 19.000 -0.350 0.000 0.819 153 A HN 0.329 nan 8.150 nan 0.000 0.442 154 D N 0.108 120.591 120.400 0.139 0.000 2.123 154 D HA -0.133 4.990 4.640 0.804 0.000 0.196 154 D C 1.816 178.145 176.300 0.048 0.000 0.992 154 D CA 1.081 55.147 54.000 0.109 0.000 0.833 154 D CB -0.154 40.719 40.800 0.123 0.000 0.954 154 D HN 0.230 nan 8.370 nan 0.000 0.455 155 K N 0.532 120.943 120.400 0.019 0.000 2.057 155 K HA -0.020 4.782 4.320 0.804 0.000 0.206 155 K C 2.408 178.963 176.600 -0.076 0.000 1.050 155 K CA 0.210 56.478 56.287 -0.032 0.000 0.935 155 K CB -0.559 31.891 32.500 -0.084 0.000 0.715 155 K HN 0.260 nan 8.250 nan 0.000 0.439 156 L N 0.727 121.872 121.223 -0.131 0.000 2.012 156 L HA -0.204 4.618 4.340 0.804 0.000 0.210 156 L C 2.421 179.414 176.870 0.205 0.000 1.073 156 L CA 1.223 55.931 54.840 -0.220 0.000 0.748 156 L CB -0.539 41.163 42.059 -0.594 0.000 0.891 156 L HN 0.124 nan 8.230 nan 0.000 0.431 157 L N -0.697 120.600 121.223 0.124 0.000 2.141 157 L HA -0.181 4.642 4.340 0.804 0.000 0.209 157 L C 2.560 179.491 176.870 0.103 0.000 1.094 157 L CA 0.987 55.914 54.840 0.146 0.000 0.763 157 L CB -0.475 41.622 42.059 0.063 0.000 0.908 157 L HN 0.347 nan 8.230 nan 0.000 0.437 158 E N 0.377 120.632 120.200 0.093 0.000 2.072 158 E HA -0.173 4.659 4.350 0.804 0.000 0.191 158 E C 2.260 178.948 176.600 0.147 0.000 0.985 158 E CA 1.194 57.660 56.400 0.109 0.000 0.801 158 E CB 0.187 29.953 29.700 0.111 0.000 0.750 158 E HN 0.230 nan 8.360 nan 0.000 0.452 159 V N 1.343 121.323 119.914 0.111 0.000 2.295 159 V HA -0.287 4.315 4.120 0.804 0.000 0.246 159 V C 2.477 178.537 176.094 -0.057 0.000 1.049 159 V CA 1.943 64.246 62.300 0.006 0.000 1.024 159 V CB -0.787 31.092 31.823 0.093 0.000 0.648 159 V HN 0.444 nan 8.190 nan 0.000 0.447 160 A N -0.070 122.631 122.820 -0.197 0.000 1.902 160 A HA -0.299 4.504 4.320 0.804 0.000 0.217 160 A C 2.038 179.349 177.584 -0.455 0.000 1.181 160 A CA 2.222 53.690 52.037 -0.950 0.000 0.623 160 A CB -0.693 17.886 19.000 -0.701 0.000 0.818 160 A HN 0.644 nan 8.150 nan 0.000 0.443 161 D N -2.263 118.055 120.400 -0.136 0.000 2.117 161 D HA -0.196 4.926 4.640 0.804 0.000 0.198 161 D C 1.752 178.079 176.300 0.045 0.000 0.982 161 D CA 1.462 55.445 54.000 -0.029 0.000 0.828 161 D CB -0.229 40.589 40.800 0.030 0.000 0.967 161 D HN 0.500 nan 8.370 nan 0.000 0.464 162 Y N -0.725 119.571 120.300 -0.007 0.000 2.184 162 Y HA -0.147 4.887 4.550 0.806 0.000 0.290 162 Y C 1.429 177.448 175.900 0.199 0.000 1.129 162 Y CA 1.379 59.522 58.100 0.072 0.000 1.144 162 Y CB -0.207 38.314 38.460 0.102 0.000 0.995 162 Y HN 0.044 nan 8.280 nan 0.000 0.513 163 Y N 0.140 120.558 120.300 0.196 0.000 2.516 163 Y HA 0.232 5.266 4.550 0.807 0.000 0.291 163 Y C 1.852 177.774 175.900 0.037 0.000 1.131 163 Y CA 0.260 58.445 58.100 0.141 0.000 1.281 163 Y CB -0.660 38.033 38.460 0.387 0.000 1.013 163 Y HN 0.213 nan 8.280 nan 0.000 0.554 164 G N 0.785 109.649 108.800 0.107 0.000 2.370 164 G HA2 -0.238 4.204 3.960 0.804 0.000 0.268 164 G HA3 -0.238 4.204 3.960 0.804 0.000 0.268 164 G C -0.252 174.755 174.900 0.177 0.000 1.122 164 G CA 0.200 45.339 45.100 0.065 0.000 0.963 164 G HN 0.368 nan 8.290 nan 0.000 0.500 165 F N -2.342 117.640 119.950 0.052 0.000 2.740 165 F HA 0.828 5.837 4.527 0.804 0.000 0.357 165 F C 0.278 176.094 175.800 0.027 0.000 1.141 165 F CA -1.452 56.561 58.000 0.020 0.000 1.044 165 F CB 0.869 39.791 39.000 -0.129 0.000 1.430 165 F HN -0.101 nan 8.300 nan 0.000 0.518 166 D N -0.123 120.428 120.400 0.252 0.000 2.462 166 D HA 0.434 5.556 4.640 0.804 0.000 0.221 166 D C 0.590 176.979 176.300 0.149 0.000 1.173 166 D CA 0.644 54.735 54.000 0.152 0.000 0.831 166 D CB 0.850 41.765 40.800 0.191 0.000 1.001 166 D HN 0.991 nan 8.370 nan 0.000 0.499 167 G N 0.496 109.346 108.800 0.083 0.000 2.302 167 G HA2 0.068 4.511 3.960 0.804 0.000 0.276 167 G HA3 0.068 4.511 3.960 0.804 0.000 0.276 167 G C -2.103 172.797 174.900 -0.001 0.000 1.316 167 G CA -1.119 44.062 45.100 0.135 0.000 0.988 167 G HN 0.102 nan 8.290 nan 0.000 0.479 168 W N -0.906 120.631 121.300 0.394 0.000 3.138 168 W HA 0.644 5.793 4.660 0.814 0.000 0.331 168 W C -0.892 175.885 176.519 0.429 0.000 1.166 168 W CA -0.807 56.779 57.345 0.403 0.000 1.212 168 W CB 1.944 31.616 29.460 0.353 0.000 1.399 168 W HN 0.525 nan 8.180 nan 0.000 0.514 169 F N 5.402 125.653 119.950 0.503 0.000 2.405 169 F HA 0.586 5.599 4.527 0.810 0.000 0.355 169 F C -0.433 175.597 175.800 0.384 0.000 1.121 169 F CA -0.813 57.424 58.000 0.394 0.000 1.112 169 F CB 0.442 39.613 39.000 0.284 0.000 1.126 169 F HN 0.030 nan 8.300 nan 0.000 0.481 170 I N 5.876 126.396 120.570 -0.084 0.000 2.330 170 I HA 0.236 4.888 4.170 0.804 0.000 0.289 170 I C -0.650 175.249 176.117 -0.364 0.000 1.001 170 I CA -0.583 60.728 61.300 0.018 0.000 1.193 170 I CB 1.000 39.228 38.000 0.380 0.000 1.345 170 I HN 0.549 nan 8.210 nan 0.000 0.461 171 N N 5.668 124.264 118.700 -0.173 0.000 2.626 171 N HA 0.159 5.381 4.740 0.804 0.000 0.249 171 N C -0.671 174.877 175.510 0.063 0.000 1.021 171 N CA -0.445 52.508 53.050 -0.162 0.000 0.886 171 N CB 1.047 39.587 38.487 0.089 0.000 1.149 171 N HN 0.462 nan 8.380 nan 0.000 0.517 172 Q N 2.491 122.211 119.800 -0.134 0.000 2.421 172 Q HA 0.314 5.136 4.340 0.804 0.000 0.242 172 Q C -0.568 175.434 176.000 0.003 0.000 1.024 172 Q CA 0.229 56.060 55.803 0.045 0.000 0.891 172 Q CB 0.682 29.394 28.738 -0.043 0.000 1.222 172 Q HN 0.386 nan 8.270 nan 0.000 0.483 173 E N 2.619 122.883 120.200 0.105 0.000 2.562 173 E HA 0.138 4.970 4.350 0.804 0.000 0.214 173 E C -0.506 176.148 176.600 0.090 0.000 0.979 173 E CA -0.018 56.464 56.400 0.135 0.000 1.002 173 E CB 0.892 30.762 29.700 0.284 0.000 1.048 173 E HN 0.525 nan 8.360 nan 0.000 0.488 174 T N 2.635 117.219 114.554 0.049 0.000 2.737 174 T HA 0.190 5.023 4.350 0.804 0.000 0.296 174 T C 0.230 174.915 174.700 -0.025 0.000 0.922 174 T CA -0.167 61.943 62.100 0.017 0.000 1.079 174 T CB 0.777 69.657 68.868 0.021 0.000 0.892 174 T HN -0.062 nan 8.240 nan 0.000 0.514 175 E N 1.274 121.461 120.200 -0.021 0.000 2.392 175 E HA 0.464 5.296 4.350 0.804 0.000 0.259 175 E C 1.403 177.974 176.600 -0.048 0.000 1.108 175 E CA 0.525 56.901 56.400 -0.039 0.000 0.916 175 E CB 0.231 29.915 29.700 -0.025 0.000 0.989 175 E HN 0.814 nan 8.360 nan 0.000 0.432 176 G N -0.120 108.652 108.800 -0.047 0.000 2.159 176 G HA2 -0.188 4.254 3.960 0.804 0.000 0.227 176 G HA3 -0.188 4.254 3.960 0.804 0.000 0.227 176 G C 0.273 175.146 174.900 -0.045 0.000 0.986 176 G CA -0.189 44.884 45.100 -0.045 0.000 0.651 176 G HN 0.765 nan 8.290 nan 0.000 0.523 177 A N 0.528 123.320 122.820 -0.047 0.000 2.388 177 A HA 0.605 5.407 4.320 0.804 0.000 0.257 177 A C 0.548 178.118 177.584 -0.023 0.000 1.095 177 A CA 0.619 52.631 52.037 -0.041 0.000 0.791 177 A CB 0.367 19.339 19.000 -0.047 0.000 1.029 177 A HN 0.828 nan 8.150 nan 0.000 0.489 178 D N 0.375 120.765 120.400 -0.017 0.000 2.549 178 D HA 0.190 5.312 4.640 0.804 0.000 0.270 178 D C 0.791 177.094 176.300 0.006 0.000 1.181 178 D CA -0.290 53.706 54.000 -0.007 0.000 1.070 178 D CB 0.283 41.078 40.800 -0.009 0.000 1.154 178 D HN 0.570 nan 8.370 nan 0.000 0.602 179 E N -0.727 119.478 120.200 0.007 0.000 2.153 179 E HA -0.099 4.733 4.350 0.804 0.000 0.194 179 E C 2.005 178.610 176.600 0.008 0.000 0.988 179 E CA 1.397 57.804 56.400 0.012 0.000 0.811 179 E CB -0.645 29.059 29.700 0.006 0.000 0.746 179 E HN 0.614 nan 8.360 nan 0.000 0.466 180 G N -0.225 108.578 108.800 0.004 0.000 2.418 180 G HA2 -0.283 4.159 3.960 0.804 0.000 0.217 180 G HA3 -0.283 4.159 3.960 0.804 0.000 0.217 180 G C 1.622 176.529 174.900 0.013 0.000 1.158 180 G CA 1.331 46.434 45.100 0.006 0.000 0.771 180 G HN 0.294 nan 8.290 nan 0.000 0.545 181 T N 1.794 116.352 114.554 0.007 0.000 2.708 181 T HA 0.023 4.855 4.350 0.804 0.000 0.266 181 T C 2.829 177.541 174.700 0.020 0.000 1.037 181 T CA 1.531 63.632 62.100 0.001 0.000 1.146 181 T CB -0.463 68.391 68.868 -0.024 0.000 0.865 181 T HN 0.380 nan 8.240 nan 0.000 0.435 182 A N 1.872 124.718 122.820 0.044 0.000 1.873 182 A HA -0.221 4.581 4.320 0.804 0.000 0.218 182 A C 2.222 179.820 177.584 0.025 0.000 1.193 182 A CA 1.988 54.084 52.037 0.098 0.000 0.629 182 A CB -0.728 18.342 19.000 0.117 0.000 0.826 182 A HN 0.600 nan 8.150 nan 0.000 0.447 183 E N -0.477 119.718 120.200 -0.009 0.000 2.110 183 E HA -0.080 4.752 4.350 0.804 0.000 0.193 183 E C 2.287 178.890 176.600 0.005 0.000 0.988 183 E CA 0.910 57.289 56.400 -0.035 0.000 0.804 183 E CB -0.286 29.403 29.700 -0.019 0.000 0.745 183 E HN 0.639 nan 8.360 nan 0.000 0.458 184 A N 0.958 123.806 122.820 0.047 0.000 1.898 184 A HA -0.201 4.601 4.320 0.804 0.000 0.216 184 A C 2.123 179.740 177.584 0.055 0.000 1.181 184 A CA 1.466 53.574 52.037 0.118 0.000 0.620 184 A CB -0.411 18.670 19.000 0.136 0.000 0.819 184 A HN 0.201 nan 8.150 nan 0.000 0.442 185 M N -0.027 119.575 119.600 0.005 0.000 2.080 185 M HA -0.229 4.733 4.480 0.804 0.000 0.260 185 M C 2.131 178.414 176.300 -0.029 0.000 1.068 185 M CA 2.118 57.405 55.300 -0.021 0.000 1.109 185 M CB -0.636 31.996 32.600 0.054 0.000 1.342 185 M HN 0.528 nan 8.290 nan 0.000 0.405 186 Q N -0.576 119.165 119.800 -0.099 0.000 2.061 186 Q HA -0.172 4.651 4.340 0.804 0.000 0.204 186 Q C 2.126 178.071 176.000 -0.092 0.000 0.984 186 Q CA 1.958 57.640 55.803 -0.201 0.000 0.846 186 Q CB -0.510 28.033 28.738 -0.325 0.000 0.902 186 Q HN 0.721 nan 8.270 nan 0.000 0.421 187 A N 0.314 123.119 122.820 -0.025 0.000 1.933 187 A HA -0.190 4.612 4.320 0.804 0.000 0.218 187 A C 1.860 179.376 177.584 -0.114 0.000 1.175 187 A CA 1.064 53.134 52.037 0.055 0.000 0.628 187 A CB -0.787 18.362 19.000 0.249 0.000 0.814 187 A HN 0.467 nan 8.150 nan 0.000 0.444 188 F N 0.606 120.178 119.950 -0.631 0.000 2.095 188 F HA -0.183 4.825 4.527 0.802 0.000 0.298 188 F C 1.918 177.537 175.800 -0.302 0.000 1.104 188 F CA 1.959 59.394 58.000 -0.941 0.000 1.232 188 F CB -0.200 38.347 39.000 -0.756 0.000 0.987 188 F HN 0.151 nan 8.300 nan 0.000 0.475 189 L N -0.707 120.560 121.223 0.073 0.000 2.083 189 L HA -0.210 4.612 4.340 0.804 0.000 0.209 189 L C 2.319 179.181 176.870 -0.013 0.000 1.083 189 L CA 0.818 55.698 54.840 0.067 0.000 0.752 189 L CB -0.808 41.280 42.059 0.049 0.000 0.899 189 L HN 0.037 nan 8.230 nan 0.000 0.433 190 V N -1.072 118.830 119.914 -0.020 0.000 2.358 190 V HA -0.319 4.283 4.120 0.804 0.000 0.246 190 V C 2.232 178.338 176.094 0.020 0.000 1.047 190 V CA 1.726 64.026 62.300 0.000 0.000 1.035 190 V CB -0.615 31.217 31.823 0.015 0.000 0.658 190 V HN 0.401 nan 8.190 nan 0.000 0.452 191 Y N 0.070 120.313 120.300 -0.095 0.000 2.181 191 Y HA -0.237 4.795 4.550 0.804 0.000 0.288 191 Y C 2.209 178.036 175.900 -0.122 0.000 1.146 191 Y CA 1.456 59.514 58.100 -0.071 0.000 1.164 191 Y CB -0.232 38.221 38.460 -0.010 0.000 0.982 191 Y HN 0.122 nan 8.280 nan 0.000 0.515 192 L N 0.522 121.629 121.223 -0.193 0.000 1.990 192 L HA -0.287 4.536 4.340 0.804 0.000 0.213 192 L C 2.428 179.214 176.870 -0.140 0.000 1.072 192 L CA 1.819 56.541 54.840 -0.196 0.000 0.755 192 L CB -1.424 40.572 42.059 -0.104 0.000 0.889 192 L HN 0.314 nan 8.230 nan 0.000 0.432 193 Q N -0.398 119.353 119.800 -0.082 0.000 2.096 193 Q HA -0.227 4.595 4.340 0.804 0.000 0.204 193 Q C 2.135 178.085 176.000 -0.083 0.000 0.982 193 Q CA 1.605 57.377 55.803 -0.053 0.000 0.850 193 Q CB -0.248 28.474 28.738 -0.026 0.000 0.901 193 Q HN 0.632 nan 8.270 nan 0.000 0.422 194 E N 0.029 120.152 120.200 -0.127 0.000 2.106 194 E HA -0.143 4.689 4.350 0.804 0.000 0.192 194 E C 1.928 178.407 176.600 -0.203 0.000 0.984 194 E CA 0.719 57.031 56.400 -0.146 0.000 0.806 194 E CB 0.152 29.771 29.700 -0.135 0.000 0.750 194 E HN 0.301 nan 8.360 nan 0.000 0.458 195 Q N 0.809 120.414 119.800 -0.324 0.000 2.396 195 Q HA 0.027 4.849 4.340 0.804 0.000 0.209 195 Q C 0.489 176.394 176.000 -0.158 0.000 0.906 195 Q CA 0.246 55.868 55.803 -0.301 0.000 0.927 195 Q CB 0.225 28.644 28.738 -0.532 0.000 1.069 195 Q HN 0.255 nan 8.270 nan 0.000 0.523 196 K N 1.952 122.286 120.400 -0.111 0.000 2.319 196 K HA 0.277 5.079 4.320 0.804 0.000 0.265 196 K C -2.347 174.242 176.600 -0.018 0.000 1.000 196 K CA -1.317 54.949 56.287 -0.035 0.000 0.943 196 K CB 0.000 32.506 32.500 0.010 0.000 0.950 196 K HN -0.259 nan 8.250 nan 0.000 0.485 197 P HA -0.010 nan 4.420 nan 0.000 0.272 197 P C -0.815 176.494 177.300 0.016 0.000 1.230 197 P CA -0.368 62.735 63.100 0.005 0.000 0.788 197 P CB 0.497 32.201 31.700 0.008 0.000 0.949 198 E N 0.319 120.528 120.200 0.015 0.000 2.414 198 E HA 0.198 5.031 4.350 0.804 0.000 0.263 198 E C 1.038 177.660 176.600 0.036 0.000 1.000 198 E CA 0.931 57.345 56.400 0.024 0.000 0.914 198 E CB -0.319 29.393 29.700 0.020 0.000 0.948 198 E HN 0.755 nan 8.360 nan 0.000 0.444 199 G N 3.710 112.542 108.800 0.053 0.000 2.241 199 G HA2 -0.334 4.109 3.960 0.804 0.000 0.244 199 G HA3 -0.334 4.109 3.960 0.804 0.000 0.244 199 G C 0.355 175.316 174.900 0.103 0.000 0.998 199 G CA 0.330 45.472 45.100 0.070 0.000 0.621 199 G HN 0.583 nan 8.290 nan 0.000 0.519 200 M N 1.182 120.839 119.600 0.095 0.000 2.238 200 M HA 0.573 5.535 4.480 0.804 0.000 0.347 200 M C 0.070 176.482 176.300 0.186 0.000 1.173 200 M CA -0.200 55.179 55.300 0.132 0.000 1.147 200 M CB 0.425 33.086 32.600 0.103 0.000 1.547 200 M HN 0.357 nan 8.290 nan 0.000 0.455 201 H N 4.687 123.846 119.070 0.149 0.000 2.505 201 H HA 0.494 5.535 4.556 0.808 0.000 0.338 201 H C -1.463 174.012 175.328 0.246 0.000 1.057 201 H CA -0.808 55.351 56.048 0.185 0.000 1.202 201 H CB 0.943 30.812 29.762 0.179 0.000 1.466 201 H HN 0.568 nan 8.280 nan 0.000 0.499 202 I N 6.247 126.909 120.570 0.154 0.000 2.355 202 I HA 0.216 4.868 4.170 0.804 0.000 0.288 202 I C -0.337 175.976 176.117 0.327 0.000 0.999 202 I CA -0.458 61.029 61.300 0.312 0.000 1.163 202 I CB 0.916 39.067 38.000 0.251 0.000 1.316 202 I HN 0.696 nan 8.210 nan 0.000 0.454 203 M N 6.940 126.844 119.600 0.506 0.000 2.336 203 M HA 0.405 5.368 4.480 0.804 0.000 0.342 203 M C -1.548 174.957 176.300 0.342 0.000 1.128 203 M CA -0.433 55.166 55.300 0.498 0.000 1.016 203 M CB 2.357 35.343 32.600 0.643 0.000 1.665 203 M HN 0.704 nan 8.290 nan 0.000 0.445 204 W N 5.802 127.178 121.300 0.128 0.000 2.573 204 W HA 0.328 5.470 4.660 0.804 0.000 0.326 204 W C -2.207 174.334 176.519 0.037 0.000 1.049 204 W CA -0.835 56.526 57.345 0.027 0.000 1.220 204 W CB 0.887 30.412 29.460 0.109 0.000 1.373 204 W HN 0.720 nan 8.180 nan 0.000 0.507 205 Y N 4.968 124.761 120.300 -0.845 0.000 2.335 205 Y HA 0.025 5.056 4.550 0.802 0.000 0.331 205 Y C 0.708 176.221 175.900 -0.644 0.000 1.094 205 Y CA 0.400 58.182 58.100 -0.530 0.000 1.253 205 Y CB 0.608 38.819 38.460 -0.414 0.000 1.203 205 Y HN 0.451 nan 8.280 nan 0.000 0.508 206 D N 3.379 123.591 120.400 -0.313 0.000 2.380 206 D HA 0.041 5.163 4.640 0.804 0.000 0.270 206 D C 0.086 176.502 176.300 0.193 0.000 1.363 206 D CA 0.945 54.922 54.000 -0.039 0.000 1.057 206 D CB 0.117 40.871 40.800 -0.076 0.000 1.096 206 D HN 0.601 nan 8.370 nan 0.000 0.524 207 S N 3.133 118.872 115.700 0.064 0.000 4.198 207 S HA 0.106 5.058 4.470 0.804 0.000 0.202 207 S C 0.650 175.118 174.600 -0.220 0.000 1.124 207 S CA -0.653 57.510 58.200 -0.063 0.000 1.050 207 S CB -0.406 62.810 63.200 0.026 0.000 1.401 207 S HN 0.387 nan 8.310 nan 0.000 0.589 208 M N 3.733 123.253 119.600 -0.134 0.000 2.146 208 M HA 0.460 5.422 4.480 0.804 0.000 0.352 208 M C -0.172 176.111 176.300 -0.029 0.000 1.343 208 M CA -0.762 54.495 55.300 -0.071 0.000 1.115 208 M CB 0.401 33.015 32.600 0.023 0.000 1.657 208 M HN 0.608 nan 8.290 nan 0.000 0.471 209 I N 1.818 122.415 120.570 0.043 0.000 3.468 209 I HA 0.312 4.964 4.170 0.804 0.000 0.299 209 I C 0.857 177.158 176.117 0.306 0.000 1.141 209 I CA -0.799 60.609 61.300 0.180 0.000 0.950 209 I CB 0.329 38.392 38.000 0.105 0.000 1.522 209 I HN 0.705 nan 8.210 nan 0.000 0.699 210 D N -0.068 120.490 120.400 0.264 0.000 2.221 210 D HA -0.231 4.891 4.640 0.804 0.000 0.204 210 D C 1.736 178.093 176.300 0.095 0.000 0.982 210 D CA 2.053 56.145 54.000 0.154 0.000 0.857 210 D CB -1.137 39.700 40.800 0.062 0.000 0.934 210 D HN 0.847 nan 8.370 nan 0.000 0.475 211 T N -4.726 109.876 114.554 0.080 0.000 3.088 211 T HA 0.375 5.207 4.350 0.804 0.000 0.259 211 T C 1.825 176.550 174.700 0.041 0.000 1.122 211 T CA 0.694 62.821 62.100 0.044 0.000 1.095 211 T CB 0.088 68.972 68.868 0.027 0.000 0.930 211 T HN 0.449 nan 8.240 nan 0.000 0.508 212 G N 1.192 110.032 108.800 0.067 0.000 2.234 212 G HA2 -0.045 4.397 3.960 0.804 0.000 0.235 212 G HA3 -0.045 4.397 3.960 0.804 0.000 0.235 212 G C 0.376 175.274 174.900 -0.003 0.000 0.997 212 G CA -0.139 44.987 45.100 0.043 0.000 0.623 212 G HN 1.148 nan 8.290 nan 0.000 0.514 213 A N 1.114 123.924 122.820 -0.018 0.000 2.445 213 A HA 0.590 5.392 4.320 0.804 0.000 0.242 213 A C 0.622 178.122 177.584 -0.140 0.000 1.075 213 A CA 0.056 52.054 52.037 -0.066 0.000 0.777 213 A CB 0.189 19.157 19.000 -0.054 0.000 1.013 213 A HN 0.625 nan 8.150 nan 0.000 0.493 214 I N 1.698 122.130 120.570 -0.229 0.000 2.347 214 I HA 0.351 5.003 4.170 0.804 0.000 0.294 214 I C 0.662 176.407 176.117 -0.621 0.000 1.090 214 I CA 0.430 61.447 61.300 -0.472 0.000 1.314 214 I CB -0.098 37.617 38.000 -0.476 0.000 1.423 214 I HN 0.622 nan 8.210 nan 0.000 0.503 215 A N 8.486 130.987 122.820 -0.532 0.000 2.984 215 A HA 0.355 5.157 4.320 0.804 0.000 0.320 215 A C -0.549 176.966 177.584 -0.115 0.000 1.142 215 A CA -0.691 51.176 52.037 -0.283 0.000 0.772 215 A CB 0.305 19.261 19.000 -0.073 0.000 1.195 215 A HN 0.590 nan 8.150 nan 0.000 0.459 216 W N 1.822 123.226 121.300 0.174 0.000 2.347 216 W HA 0.042 5.185 4.660 0.804 0.000 0.333 216 W C 0.402 177.015 176.519 0.156 0.000 1.383 216 W CA -0.107 57.322 57.345 0.141 0.000 1.283 216 W CB 0.288 29.816 29.460 0.113 0.000 1.253 216 W HN 0.659 nan 8.180 nan 0.000 0.563 217 Q N 1.836 121.808 119.800 0.287 0.000 2.339 217 Q HA -0.098 4.724 4.340 0.804 0.000 0.205 217 Q C 0.952 177.090 176.000 0.230 0.000 0.925 217 Q CA 0.612 56.562 55.803 0.245 0.000 0.898 217 Q CB -0.004 28.850 28.738 0.193 0.000 1.013 217 Q HN 0.561 nan 8.270 nan 0.000 0.504 218 N N 0.148 118.906 118.700 0.098 0.000 2.863 218 N HA -0.161 5.061 4.740 0.804 0.000 0.245 218 N C -0.372 174.859 175.510 -0.464 0.000 1.001 218 N CA 1.219 54.206 53.050 -0.105 0.000 0.901 218 N CB -0.995 37.509 38.487 0.028 0.000 1.124 218 N HN 0.420 nan 8.380 nan 0.000 0.582 219 H N -1.013 118.064 119.070 0.012 0.000 2.981 219 H HA 0.334 5.373 4.556 0.805 0.000 0.327 219 H C -0.706 174.608 175.328 -0.023 0.000 1.342 219 H CA -0.783 55.236 56.048 -0.049 0.000 1.123 219 H CB 0.913 30.665 29.762 -0.016 0.000 1.851 219 H HN -0.003 nan 8.280 nan 0.000 0.531 220 L N 2.403 123.681 121.223 0.092 0.000 2.315 220 L HA 0.320 5.143 4.340 0.804 0.000 0.283 220 L C 0.403 177.317 176.870 0.073 0.000 1.089 220 L CA 0.329 55.212 54.840 0.071 0.000 0.833 220 L CB 0.114 42.188 42.059 0.025 0.000 1.170 220 L HN 0.822 nan 8.230 nan 0.000 0.442 221 T N -0.432 114.175 114.554 0.089 0.000 2.742 221 T HA 0.389 5.221 4.350 0.804 0.000 0.282 221 T C 0.508 175.245 174.700 0.062 0.000 1.025 221 T CA -0.615 61.526 62.100 0.068 0.000 1.020 221 T CB 0.942 69.864 68.868 0.090 0.000 1.317 221 T HN 0.436 nan 8.240 nan 0.000 0.538 222 D N -0.306 120.122 120.400 0.046 0.000 2.310 222 D HA 0.024 5.146 4.640 0.804 0.000 0.212 222 D C 1.931 178.265 176.300 0.058 0.000 0.965 222 D CA 0.483 54.506 54.000 0.039 0.000 0.879 222 D CB 0.086 40.900 40.800 0.023 0.000 0.921 222 D HN 0.308 nan 8.370 nan 0.000 0.510 223 R N 0.800 121.349 120.500 0.082 0.000 2.200 223 R HA 0.006 4.828 4.340 0.804 0.000 0.208 223 R C 1.165 177.571 176.300 0.175 0.000 1.033 223 R CA 0.650 56.814 56.100 0.108 0.000 1.000 223 R CB -0.113 30.248 30.300 0.102 0.000 0.906 223 R HN 0.325 nan 8.270 nan 0.000 0.462 224 N N -0.151 118.664 118.700 0.192 0.000 2.145 224 N HA -0.063 5.159 4.740 0.804 0.000 0.219 224 N C 1.124 176.799 175.510 0.275 0.000 1.266 224 N CA 0.094 53.333 53.050 0.315 0.000 0.902 224 N CB -0.077 38.582 38.487 0.286 0.000 1.078 224 N HN 0.129 nan 8.380 nan 0.000 0.513 225 K N 1.142 121.626 120.400 0.139 0.000 2.152 225 K HA -0.129 4.673 4.320 0.804 0.000 0.206 225 K C 1.770 178.377 176.600 0.012 0.000 1.048 225 K CA 1.624 57.955 56.287 0.074 0.000 0.933 225 K CB -0.452 32.069 32.500 0.035 0.000 0.721 225 K HN 0.193 nan 8.250 nan 0.000 0.447 226 M N -0.256 119.304 119.600 -0.066 0.000 2.549 226 M HA -0.057 4.906 4.480 0.804 0.000 0.260 226 M C 0.449 176.498 176.300 -0.418 0.000 1.076 226 M CA 1.418 56.574 55.300 -0.240 0.000 1.090 226 M CB -0.996 31.412 32.600 -0.320 0.000 1.418 226 M HN 0.114 nan 8.290 nan 0.000 0.486 227 Y N 0.158 120.334 120.300 -0.206 0.000 2.466 227 Y HA 0.178 5.210 4.550 0.804 0.000 0.272 227 Y C 2.012 177.752 175.900 -0.267 0.000 1.169 227 Y CA 0.270 58.111 58.100 -0.432 0.000 1.285 227 Y CB -0.016 37.916 38.460 -0.880 0.000 1.078 227 Y HN 0.302 nan 8.280 nan 0.000 0.523 228 L N -0.768 120.459 121.223 0.008 0.000 2.519 228 L HA 0.290 5.113 4.340 0.804 0.000 0.194 228 L C -0.179 176.697 176.870 0.010 0.000 1.072 228 L CA 0.809 55.679 54.840 0.050 0.000 0.845 228 L CB 0.555 42.673 42.059 0.098 0.000 1.138 228 L HN 0.019 nan 8.230 nan 0.000 0.487 229 Q N -0.810 118.983 119.800 -0.013 0.000 2.281 229 Q HA 0.262 5.085 4.340 0.804 0.000 0.263 229 Q C -0.446 175.528 176.000 -0.043 0.000 0.989 229 Q CA -0.159 55.632 55.803 -0.020 0.000 0.852 229 Q CB 1.166 29.904 28.738 0.001 0.000 1.337 229 Q HN 0.158 nan 8.270 nan 0.000 0.418 230 N N 1.915 120.582 118.700 -0.054 0.000 2.349 230 N HA 0.216 5.438 4.740 0.804 0.000 0.202 230 N C 0.594 176.080 175.510 -0.039 0.000 1.041 230 N CA 1.551 54.563 53.050 -0.063 0.000 0.970 230 N CB 0.263 38.701 38.487 -0.082 0.000 1.173 230 N HN 0.635 nan 8.380 nan 0.000 0.493 231 G N -0.335 108.447 108.800 -0.031 0.000 2.694 231 G HA2 0.062 4.505 3.960 0.804 0.000 0.212 231 G HA3 0.062 4.505 3.960 0.804 0.000 0.212 231 G C 0.855 175.747 174.900 -0.013 0.000 2.030 231 G CA 0.709 45.797 45.100 -0.020 0.000 0.731 231 G HN 0.431 nan 8.290 nan 0.000 0.795 232 S N 0.066 115.760 115.700 -0.010 0.000 2.593 232 S HA 0.168 5.120 4.470 0.804 0.000 0.217 232 S C 0.520 175.117 174.600 -0.005 0.000 0.966 232 S CA 0.392 58.589 58.200 -0.004 0.000 0.914 232 S CB -0.131 63.068 63.200 -0.002 0.000 0.776 232 S HN 0.169 nan 8.310 nan 0.000 0.523 233 T N 3.427 117.973 114.554 -0.012 0.000 2.729 233 T HA 0.272 5.104 4.350 0.804 0.000 0.296 233 T C -0.107 174.583 174.700 -0.017 0.000 0.928 233 T CA -0.442 61.649 62.100 -0.015 0.000 1.045 233 T CB 0.639 69.494 68.868 -0.022 0.000 0.902 233 T HN 0.360 nan 8.240 nan 0.000 0.500 234 R N 3.401 123.896 120.500 -0.009 0.000 2.370 234 R HA 0.242 5.064 4.340 0.804 0.000 0.309 234 R C 0.453 176.744 176.300 -0.015 0.000 1.059 234 R CA -0.124 55.973 56.100 -0.005 0.000 0.981 234 R CB 0.228 30.531 30.300 0.004 0.000 0.972 234 R HN 0.486 nan 8.270 nan 0.000 0.437 235 V N 3.545 123.445 119.914 -0.022 0.000 2.788 235 V HA 0.278 4.880 4.120 0.804 0.000 0.241 235 V C 0.496 176.586 176.094 -0.006 0.000 1.083 235 V CA 1.227 63.502 62.300 -0.042 0.000 1.103 235 V CB 0.350 32.111 31.823 -0.103 0.000 0.800 235 V HN 0.870 nan 8.190 nan 0.000 0.476 236 A N -0.874 121.961 122.820 0.025 0.000 2.587 236 A HA 0.501 5.303 4.320 0.804 0.000 0.293 236 A C 0.012 177.627 177.584 0.053 0.000 1.087 236 A CA -0.287 51.794 52.037 0.073 0.000 0.692 236 A CB 1.052 20.145 19.000 0.154 0.000 1.291 236 A HN 0.097 nan 8.150 nan 0.000 0.407 237 D N 0.288 120.680 120.400 -0.013 0.000 2.234 237 D HA 0.048 5.171 4.640 0.804 0.000 0.205 237 D C 0.721 177.056 176.300 0.058 0.000 0.962 237 D CA 2.059 55.984 54.000 -0.125 0.000 0.855 237 D CB 0.236 40.672 40.800 -0.608 0.000 0.951 237 D HN 0.716 nan 8.370 nan 0.000 0.500 238 S N -1.113 114.712 115.700 0.207 0.000 2.611 238 S HA 0.535 5.487 4.470 0.804 0.000 0.268 238 S C -0.999 173.860 174.600 0.432 0.000 1.156 238 S CA -1.026 57.429 58.200 0.424 0.000 0.817 238 S CB 2.618 66.255 63.200 0.730 0.000 1.122 238 S HN 0.008 nan 8.310 nan 0.000 0.466 239 M N 1.930 121.797 119.600 0.445 0.000 2.327 239 M HA 0.584 5.546 4.480 0.804 0.000 0.298 239 M C -2.135 174.386 176.300 0.368 0.000 1.065 239 M CA -0.760 54.776 55.300 0.393 0.000 0.916 239 M CB 1.644 34.428 32.600 0.307 0.000 1.630 239 M HN 0.823 nan 8.290 nan 0.000 0.442 240 F N 5.546 125.578 119.950 0.137 0.000 2.404 240 F HA 0.412 5.420 4.527 0.802 0.000 0.358 240 F C -1.169 174.425 175.800 -0.343 0.000 1.120 240 F CA -0.630 57.366 58.000 -0.006 0.000 1.144 240 F CB 0.579 39.632 39.000 0.089 0.000 1.133 240 F HN 0.389 nan 8.300 nan 0.000 0.495 241 L N 5.809 126.743 121.223 -0.482 0.000 2.305 241 L HA 0.200 5.023 4.340 0.804 0.000 0.281 241 L C 0.248 176.772 176.870 -0.578 0.000 1.085 241 L CA -0.271 54.304 54.840 -0.442 0.000 0.813 241 L CB 0.514 42.326 42.059 -0.411 0.000 1.157 241 L HN 0.627 nan 8.230 nan 0.000 0.436 242 N N 1.320 119.710 118.700 -0.516 0.000 2.340 242 N HA 0.007 5.230 4.740 0.804 0.000 0.236 242 N C 0.775 175.921 175.510 -0.607 0.000 1.296 242 N CA 0.282 52.888 53.050 -0.741 0.000 0.896 242 N CB 0.391 38.575 38.487 -0.505 0.000 1.127 242 N HN 0.405 nan 8.380 nan 0.000 0.442 243 F N -0.675 118.922 119.950 -0.590 0.000 2.502 243 F HA 0.075 5.083 4.527 0.802 0.000 0.298 243 F C 0.510 175.987 175.800 -0.539 0.000 1.111 243 F CA -0.093 57.589 58.000 -0.530 0.000 1.445 243 F CB 0.089 38.727 39.000 -0.603 0.000 1.081 243 F HN 0.356 nan 8.300 nan 0.000 0.558 244 W N 2.735 124.040 121.300 0.008 0.000 1.603 244 W HA 0.161 5.304 4.660 0.806 0.000 0.392 244 W C -0.267 176.239 176.519 -0.022 0.000 0.661 244 W CA -1.370 55.935 57.345 -0.068 0.000 2.021 244 W CB -1.304 28.159 29.460 0.005 0.000 1.759 244 W HN 0.142 nan 8.180 nan 0.000 0.334 245 W N 0.735 122.049 121.300 0.022 0.000 2.799 245 W HA 0.562 5.703 4.660 0.801 0.000 0.349 245 W C 0.320 176.849 176.519 0.017 0.000 1.100 245 W CA -1.328 55.991 57.345 -0.043 0.000 1.174 245 W CB 0.758 30.006 29.460 -0.354 0.000 1.427 245 W HN 0.047 nan 8.180 nan 0.000 0.547 246 R N -0.075 120.663 120.500 0.398 0.000 2.369 246 R HA 0.136 4.958 4.340 0.804 0.000 0.210 246 R C -1.043 175.516 176.300 0.433 0.000 0.881 246 R CA 0.303 56.555 56.100 0.254 0.000 1.031 246 R CB 0.524 30.899 30.300 0.124 0.000 1.184 246 R HN 0.609 nan 8.270 nan 0.000 0.581 247 D N -1.083 119.609 120.400 0.486 0.000 2.753 247 D HA 0.176 5.299 4.640 0.804 0.000 0.224 247 D C -0.603 175.790 176.300 0.155 0.000 1.213 247 D CA -0.398 53.758 54.000 0.261 0.000 0.833 247 D CB 1.798 42.664 40.800 0.110 0.000 1.607 247 D HN -0.171 nan 8.370 nan 0.000 0.463 248 Q N 1.509 121.240 119.800 -0.115 0.000 2.139 248 Q HA 0.157 4.979 4.340 0.804 0.000 0.219 248 Q C 1.293 177.022 176.000 -0.451 0.000 0.805 248 Q CA -0.082 55.573 55.803 -0.247 0.000 1.024 248 Q CB 0.695 29.195 28.738 -0.398 0.000 1.163 248 Q HN 0.523 nan 8.270 nan 0.000 0.485 249 R N 1.366 121.416 120.500 -0.749 0.000 2.083 249 R HA -0.227 4.596 4.340 0.804 0.000 0.237 249 R C 1.729 177.816 176.300 -0.355 0.000 1.137 249 R CA 2.295 57.922 56.100 -0.788 0.000 0.951 249 R CB 0.351 30.290 30.300 -0.602 0.000 0.851 249 R HN 0.129 nan 8.270 nan 0.000 0.434 250 Q N -0.365 119.272 119.800 -0.272 0.000 2.224 250 Q HA 0.020 4.842 4.340 0.804 0.000 0.203 250 Q C 1.878 177.786 176.000 -0.153 0.000 0.970 250 Q CA 1.791 57.479 55.803 -0.193 0.000 0.865 250 Q CB -0.383 28.236 28.738 -0.199 0.000 0.922 250 Q HN 0.105 nan 8.270 nan 0.000 0.445 251 S N 1.189 116.800 115.700 -0.148 0.000 2.356 251 S HA -0.164 4.788 4.470 0.804 0.000 0.223 251 S C 1.724 176.242 174.600 -0.136 0.000 1.032 251 S CA 1.121 59.258 58.200 -0.105 0.000 1.005 251 S CB -0.502 62.641 63.200 -0.095 0.000 0.867 251 S HN 0.597 nan 8.310 nan 0.000 0.449 252 N N 1.402 119.996 118.700 -0.177 0.000 2.043 252 N HA -0.190 5.032 4.740 0.804 0.000 0.193 252 N C 1.560 176.991 175.510 -0.131 0.000 1.037 252 N CA 1.718 54.661 53.050 -0.178 0.000 0.851 252 N CB -0.266 38.130 38.487 -0.151 0.000 1.027 252 N HN 0.502 nan 8.380 nan 0.000 0.422 253 E N 0.058 120.189 120.200 -0.115 0.000 2.085 253 E HA -0.190 4.642 4.350 0.804 0.000 0.194 253 E C 1.968 178.527 176.600 -0.068 0.000 0.994 253 E CA 0.919 57.269 56.400 -0.083 0.000 0.801 253 E CB -0.168 29.483 29.700 -0.081 0.000 0.743 253 E HN 0.227 nan 8.360 nan 0.000 0.453 254 L N 0.900 122.080 121.223 -0.071 0.000 2.046 254 L HA -0.096 4.726 4.340 0.804 0.000 0.208 254 L C 2.161 179.004 176.870 -0.043 0.000 1.077 254 L CA 1.958 56.768 54.840 -0.049 0.000 0.747 254 L CB -0.758 41.276 42.059 -0.041 0.000 0.896 254 L HN 0.048 nan 8.230 nan 0.000 0.432 255 A N -1.000 121.784 122.820 -0.060 0.000 1.883 255 A HA -0.275 4.527 4.320 0.804 0.000 0.217 255 A C 2.159 179.716 177.584 -0.046 0.000 1.186 255 A CA 1.922 53.925 52.037 -0.056 0.000 0.624 255 A CB -0.600 18.344 19.000 -0.094 0.000 0.822 255 A HN 0.666 nan 8.150 nan 0.000 0.444 256 Q N -0.725 119.041 119.800 -0.056 0.000 2.096 256 Q HA -0.152 4.670 4.340 0.804 0.000 0.204 256 Q C 2.414 178.400 176.000 -0.023 0.000 0.982 256 Q CA 1.444 57.225 55.803 -0.038 0.000 0.850 256 Q CB -0.433 28.280 28.738 -0.040 0.000 0.901 256 Q HN 0.688 nan 8.270 nan 0.000 0.422 257 A N 0.841 123.645 122.820 -0.026 0.000 2.019 257 A HA -0.126 4.676 4.320 0.804 0.000 0.219 257 A C 1.923 179.499 177.584 -0.013 0.000 1.164 257 A CA 1.044 53.070 52.037 -0.018 0.000 0.644 257 A CB -0.443 18.544 19.000 -0.021 0.000 0.805 257 A HN 0.293 nan 8.150 nan 0.000 0.449 258 L N -1.226 119.989 121.223 -0.013 0.000 2.591 258 L HA 0.184 5.006 4.340 0.804 0.000 0.228 258 L C 1.509 178.378 176.870 -0.002 0.000 1.133 258 L CA 0.464 55.299 54.840 -0.007 0.000 0.880 258 L CB -0.162 41.894 42.059 -0.005 0.000 1.033 258 L HN 0.566 nan 8.230 nan 0.000 0.450 259 G N 0.822 109.621 108.800 -0.002 0.000 2.225 259 G HA2 -0.229 4.213 3.960 0.804 0.000 0.264 259 G HA3 -0.229 4.213 3.960 0.804 0.000 0.264 259 G C -0.010 174.899 174.900 0.014 0.000 1.060 259 G CA -0.155 44.949 45.100 0.006 0.000 0.833 259 G HN 0.188 nan 8.290 nan 0.000 0.498 260 R N -0.277 120.228 120.500 0.008 0.000 2.750 260 R HA 0.635 5.457 4.340 0.804 0.000 0.281 260 R C 0.188 176.491 176.300 0.004 0.000 0.972 260 R CA -0.533 55.578 56.100 0.019 0.000 0.912 260 R CB 1.463 31.776 30.300 0.022 0.000 1.187 260 R HN 0.306 nan 8.270 nan 0.000 0.464 261 S N 2.007 117.727 115.700 0.034 0.000 2.537 261 S HA 0.090 5.042 4.470 0.804 0.000 0.286 261 S C -1.471 173.066 174.600 -0.104 0.000 1.299 261 S CA -0.953 57.257 58.200 0.017 0.000 1.067 261 S CB 0.497 63.780 63.200 0.138 0.000 0.864 261 S HN 0.261 nan 8.310 nan 0.000 0.494 262 P HA -0.023 nan 4.420 nan 0.000 0.225 262 P C 0.009 176.978 177.300 -0.552 0.000 1.148 262 P CA 1.117 63.930 63.100 -0.478 0.000 0.779 262 P CB -0.049 31.237 31.700 -0.691 0.000 0.780 263 Y N -1.157 119.085 120.300 -0.096 0.000 2.490 263 Y HA 0.028 5.060 4.550 0.804 0.000 0.281 263 Y C 1.432 177.229 175.900 -0.171 0.000 1.174 263 Y CA 0.030 58.021 58.100 -0.182 0.000 1.295 263 Y CB -0.575 37.766 38.460 -0.198 0.000 1.062 263 Y HN -0.073 nan 8.280 nan 0.000 0.522 264 D N 0.257 120.687 120.400 0.050 0.000 2.349 264 D HA 0.087 5.209 4.640 0.804 0.000 0.224 264 D C -0.023 176.359 176.300 0.137 0.000 1.029 264 D CA 0.583 54.697 54.000 0.191 0.000 0.879 264 D CB 0.186 41.119 40.800 0.222 0.000 0.906 264 D HN 0.269 nan 8.370 nan 0.000 0.528 265 L N 0.739 121.897 121.223 -0.108 0.000 2.282 265 L HA 0.326 5.148 4.340 0.804 0.000 0.288 265 L C -0.795 175.913 176.870 -0.269 0.000 1.033 265 L CA -0.791 53.999 54.840 -0.082 0.000 0.807 265 L CB 0.926 42.903 42.059 -0.137 0.000 1.209 265 L HN -0.134 nan 8.230 nan 0.000 0.423 266 Y N 1.987 122.244 120.300 -0.073 0.000 2.478 266 Y HA 0.465 5.498 4.550 0.805 0.000 0.329 266 Y C 0.583 176.205 175.900 -0.463 0.000 0.967 266 Y CA -0.760 57.248 58.100 -0.153 0.000 1.255 266 Y CB 1.573 40.031 38.460 -0.005 0.000 1.103 266 Y HN 0.643 nan 8.280 nan 0.000 0.497 267 A N 2.980 125.584 122.820 -0.360 0.000 2.444 267 A HA 0.470 5.272 4.320 0.804 0.000 0.273 267 A C 0.866 178.282 177.584 -0.280 0.000 1.136 267 A CA 0.043 51.755 52.037 -0.541 0.000 0.799 267 A CB -0.368 18.077 19.000 -0.925 0.000 1.081 267 A HN 0.884 nan 8.150 nan 0.000 0.509 268 G N 1.199 109.799 108.800 -0.333 0.000 2.406 268 G HA2 0.467 4.909 3.960 0.804 0.000 0.251 268 G HA3 0.467 4.909 3.960 0.804 0.000 0.251 268 G C -0.469 174.758 174.900 0.545 0.000 1.271 268 G CA -0.111 44.934 45.100 -0.092 0.000 0.859 268 G HN 0.803 nan 8.290 nan 0.000 0.540 269 V N 3.177 123.395 119.914 0.507 0.000 2.483 269 V HA 0.194 4.796 4.120 0.804 0.000 0.297 269 V C -0.741 175.406 176.094 0.090 0.000 1.027 269 V CA -0.886 61.566 62.300 0.254 0.000 0.855 269 V CB 1.831 33.754 31.823 0.166 0.000 0.995 269 V HN 0.800 nan 8.190 nan 0.000 0.424 270 D N 4.089 124.233 120.400 -0.428 0.000 2.393 270 D HA 0.207 5.329 4.640 0.804 0.000 0.232 270 D C 0.698 176.839 176.300 -0.266 0.000 1.192 270 D CA -0.143 53.488 54.000 -0.615 0.000 0.882 270 D CB 1.616 41.635 40.800 -1.302 0.000 1.038 270 D HN 0.424 nan 8.370 nan 0.000 0.499 271 V N 1.181 121.006 119.914 -0.149 0.000 3.483 271 V HA 0.198 4.800 4.120 0.804 0.000 0.301 271 V C 1.639 177.558 176.094 -0.291 0.000 1.389 271 V CA -0.050 62.136 62.300 -0.191 0.000 1.101 271 V CB -0.078 31.746 31.823 0.002 0.000 0.971 271 V HN 0.454 nan 8.190 nan 0.000 0.434 272 E N 1.865 121.916 120.200 -0.248 0.000 2.049 272 E HA -0.254 4.578 4.350 0.804 0.000 0.198 272 E C 2.118 178.683 176.600 -0.058 0.000 1.007 272 E CA 2.296 58.576 56.400 -0.201 0.000 0.809 272 E CB -0.166 29.388 29.700 -0.244 0.000 0.749 272 E HN 0.718 nan 8.360 nan 0.000 0.450 273 A N 0.322 123.086 122.820 -0.093 0.000 1.898 273 A HA -0.025 4.777 4.320 0.804 0.000 0.214 273 A C 2.015 179.584 177.584 -0.024 0.000 1.183 273 A CA 1.218 53.248 52.037 -0.013 0.000 0.622 273 A CB -0.041 18.936 19.000 -0.038 0.000 0.824 273 A HN 0.155 nan 8.150 nan 0.000 0.444 274 R N -2.167 118.150 120.500 -0.304 0.000 2.419 274 R HA 0.299 5.122 4.340 0.804 0.000 0.235 274 R C 1.453 177.141 176.300 -1.020 0.000 0.899 274 R CA 0.452 56.318 56.100 -0.389 0.000 1.048 274 R CB 0.341 30.491 30.300 -0.250 0.000 1.182 274 R HN 0.556 nan 8.270 nan 0.000 0.544 275 G N 1.451 109.261 108.800 -1.651 0.000 2.672 275 G HA2 -0.499 3.944 3.960 0.804 0.000 0.332 275 G HA3 -0.499 3.944 3.960 0.804 0.000 0.332 275 G C 1.131 175.121 174.900 -1.518 0.000 1.213 275 G CA 1.484 45.267 45.100 -2.195 0.000 0.980 275 G HN 0.369 nan 8.290 nan 0.000 0.548 276 T N -2.114 111.525 114.554 -1.526 0.000 3.007 276 T HA 0.185 5.018 4.350 0.804 0.000 0.270 276 T C 2.085 176.353 174.700 -0.720 0.000 1.107 276 T CA 2.094 63.320 62.100 -1.457 0.000 1.118 276 T CB -0.067 68.304 68.868 -0.828 0.000 0.889 276 T HN 0.576 nan 8.240 nan 0.000 0.506 277 S N 1.155 116.544 115.700 -0.517 0.000 2.605 277 S HA 0.150 5.102 4.470 0.804 0.000 0.217 277 S C 0.474 174.968 174.600 -0.177 0.000 0.958 277 S CA -0.276 57.788 58.200 -0.227 0.000 0.919 277 S CB -0.158 62.953 63.200 -0.147 0.000 0.780 277 S HN 0.572 nan 8.310 nan 0.000 0.507 278 T N 5.136 119.546 114.554 -0.240 0.000 2.799 278 T HA 0.228 5.060 4.350 0.804 0.000 0.296 278 T C -2.563 172.161 174.700 0.040 0.000 0.947 278 T CA -0.980 61.056 62.100 -0.106 0.000 1.141 278 T CB 0.665 69.472 68.868 -0.102 0.000 0.891 278 T HN 0.060 nan 8.240 nan 0.000 0.533 279 P HA 0.378 nan 4.420 nan 0.000 0.276 279 P C -1.066 176.107 177.300 -0.212 0.000 1.235 279 P CA -0.327 62.731 63.100 -0.070 0.000 0.772 279 P CB 0.613 32.263 31.700 -0.083 0.000 0.871 280 V N 3.850 123.557 119.914 -0.345 0.000 2.760 280 V HA 0.217 4.819 4.120 0.804 0.000 0.309 280 V C -0.045 175.635 176.094 -0.689 0.000 1.077 280 V CA -0.701 61.147 62.300 -0.754 0.000 0.910 280 V CB 2.387 33.308 31.823 -1.502 0.000 1.008 280 V HN 0.322 nan 8.190 nan 0.000 0.424 281 Q N 2.565 122.022 119.800 -0.571 0.000 3.027 281 Q HA 0.138 4.960 4.340 0.804 0.000 0.260 281 Q C 0.564 176.499 176.000 -0.108 0.000 1.379 281 Q CA 0.043 55.693 55.803 -0.255 0.000 1.038 281 Q CB 0.259 28.903 28.738 -0.157 0.000 1.578 281 Q HN 0.880 nan 8.270 nan 0.000 0.571 282 W N 0.881 122.218 121.300 0.062 0.000 2.342 282 W HA -0.229 4.913 4.660 0.802 0.000 0.297 282 W C 1.575 178.150 176.519 0.093 0.000 1.213 282 W CA 0.820 58.203 57.345 0.064 0.000 1.251 282 W CB 0.215 29.763 29.460 0.148 0.000 1.136 282 W HN 0.494 nan 8.180 nan 0.000 0.526 283 E N -0.419 119.975 120.200 0.324 0.000 2.153 283 E HA -0.124 4.708 4.350 0.804 0.000 0.194 283 E C 2.393 179.103 176.600 0.184 0.000 0.988 283 E CA 1.427 57.968 56.400 0.235 0.000 0.811 283 E CB -1.076 28.739 29.700 0.191 0.000 0.746 283 E HN 0.293 nan 8.360 nan 0.000 0.466 284 G N 0.058 108.986 108.800 0.214 0.000 2.559 284 G HA2 -0.115 4.328 3.960 0.804 0.000 0.216 284 G HA3 -0.115 4.328 3.960 0.804 0.000 0.216 284 G C 1.343 176.359 174.900 0.192 0.000 1.126 284 G CA 0.517 45.776 45.100 0.266 0.000 0.778 284 G HN 0.209 nan 8.290 nan 0.000 0.543 285 L N -1.671 119.549 121.223 -0.006 0.000 2.526 285 L HA 0.551 5.374 4.340 0.804 0.000 0.210 285 L C -0.038 176.421 176.870 -0.686 0.000 1.048 285 L CA 0.288 54.862 54.840 -0.443 0.000 0.852 285 L CB 0.331 41.976 42.059 -0.689 0.000 1.128 285 L HN 0.045 nan 8.230 nan 0.000 0.482 286 F N 3.062 122.921 119.950 -0.150 0.000 2.366 286 F HA 0.454 5.462 4.527 0.802 0.000 0.357 286 F C -2.071 173.680 175.800 -0.081 0.000 1.107 286 F CA -2.277 55.602 58.000 -0.202 0.000 1.208 286 F CB 0.141 38.945 39.000 -0.327 0.000 1.464 286 F HN -0.008 nan 8.300 nan 0.000 0.501 287 P HA 0.088 nan 4.420 nan 0.000 0.272 287 P C -0.105 177.233 177.300 0.063 0.000 1.230 287 P CA -0.087 63.023 63.100 0.017 0.000 0.788 287 P CB 1.229 32.886 31.700 -0.072 0.000 0.949 291 K N 0.678 121.077 120.400 -0.002 0.000 2.319 291 K HA 0.423 5.225 4.320 0.804 0.000 0.265 291 K C -0.289 176.297 176.600 -0.024 0.000 1.000 291 K CA 0.145 56.446 56.287 0.023 0.000 0.943 291 K CB 0.648 33.197 32.500 0.081 0.000 0.950 291 K HN 0.516 nan 8.250 nan 0.000 0.485 292 A N 2.751 125.605 122.820 0.057 0.000 2.498 292 A HA -0.004 4.799 4.320 0.804 0.000 0.239 292 A C 0.531 178.108 177.584 -0.011 0.000 1.068 292 A CA -0.065 51.978 52.037 0.009 0.000 0.766 292 A CB 0.097 19.194 19.000 0.161 0.000 1.003 292 A HN 0.881 nan 8.150 nan 0.000 0.497 293 H N 1.080 120.083 119.070 -0.111 0.000 2.326 293 H HA -0.012 5.026 4.556 0.804 0.000 0.301 293 H C 1.381 176.518 175.328 -0.318 0.000 1.081 293 H CA 2.007 57.935 56.048 -0.200 0.000 1.334 293 H CB -0.109 29.510 29.762 -0.238 0.000 1.385 293 H HN 0.886 nan 8.280 nan 0.000 0.504 294 T N -3.296 111.150 114.554 -0.179 0.000 2.618 294 T HA 0.503 5.335 4.350 0.804 0.000 0.286 294 T C 0.276 174.961 174.700 -0.025 0.000 1.027 294 T CA -0.897 61.050 62.100 -0.255 0.000 1.063 294 T CB 2.102 70.771 68.868 -0.332 0.000 1.440 294 T HN 0.016 nan 8.240 nan 0.000 0.505 295 S N -0.266 115.360 115.700 -0.123 0.000 2.686 295 S HA 0.709 5.662 4.470 0.804 0.000 0.270 295 S C -0.787 173.795 174.600 -0.029 0.000 1.194 295 S CA -0.673 57.482 58.200 -0.076 0.000 0.990 295 S CB 0.599 63.481 63.200 -0.529 0.000 1.029 295 S HN 0.750 nan 8.310 nan 0.000 0.560 296 L N 0.935 122.313 121.223 0.260 0.000 2.341 296 L HA 0.758 5.580 4.340 0.804 0.000 0.278 296 L C -0.118 176.972 176.870 0.367 0.000 1.005 296 L CA -0.064 54.949 54.840 0.288 0.000 0.818 296 L CB 1.054 43.419 42.059 0.510 0.000 1.259 296 L HN 0.625 nan 8.230 nan 0.000 0.418 297 G N 5.896 114.814 108.800 0.197 0.000 2.437 297 G HA2 0.548 4.990 3.960 0.804 0.000 0.315 297 G HA3 0.548 4.990 3.960 0.804 0.000 0.315 297 G C -1.161 173.992 174.900 0.422 0.000 1.210 297 G CA -0.532 44.719 45.100 0.251 0.000 0.943 297 G HN 0.592 nan 8.290 nan 0.000 0.471 298 L N 2.605 124.107 121.223 0.465 0.000 2.257 298 L HA 0.277 5.099 4.340 0.804 0.000 0.290 298 L C -0.675 176.409 176.870 0.357 0.000 1.044 298 L CA -1.056 54.022 54.840 0.397 0.000 0.810 298 L CB 1.244 43.481 42.059 0.297 0.000 1.193 298 L HN 0.566 nan 8.230 nan 0.000 0.425 299 Y N 5.480 125.904 120.300 0.207 0.000 2.454 299 Y HA 0.309 5.343 4.550 0.807 0.000 0.345 299 Y C 0.162 175.917 175.900 -0.242 0.000 0.970 299 Y CA -0.918 57.146 58.100 -0.060 0.000 1.204 299 Y CB 0.115 38.635 38.460 0.100 0.000 1.122 299 Y HN 0.520 nan 8.280 nan 0.000 0.514 300 R N 4.440 124.461 120.500 -0.798 0.000 3.184 300 R HA -0.127 4.695 4.340 0.804 0.000 0.257 300 R C -2.550 173.509 176.300 -0.400 0.000 0.999 300 R CA 0.630 56.278 56.100 -0.754 0.000 0.670 300 R CB -1.762 27.905 30.300 -1.053 0.000 1.197 300 R HN 0.541 nan 8.270 nan 0.000 0.419 301 P HA -0.104 nan 4.420 nan 0.000 0.230 301 P C 0.928 178.108 177.300 -0.199 0.000 1.158 301 P CA 1.009 63.851 63.100 -0.429 0.000 0.769 301 P CB -0.054 31.379 31.700 -0.445 0.000 0.807 302 D N -1.236 119.055 120.400 -0.181 0.000 2.411 302 D HA -0.211 4.911 4.640 0.804 0.000 0.226 302 D C 1.593 177.879 176.300 -0.022 0.000 0.988 302 D CA 0.127 54.070 54.000 -0.094 0.000 0.938 302 D CB -0.890 39.790 40.800 -0.199 0.000 0.883 302 D HN 0.260 nan 8.370 nan 0.000 0.525 303 W N 2.469 123.634 121.300 -0.225 0.000 2.290 303 W HA -0.305 4.835 4.660 0.800 0.000 0.311 303 W C 2.364 178.839 176.519 -0.073 0.000 1.238 303 W CA 2.568 59.807 57.345 -0.178 0.000 1.255 303 W CB -0.330 28.997 29.460 -0.222 0.000 1.145 303 W HN 0.082 nan 8.180 nan 0.000 0.506 304 A N -0.286 122.414 122.820 -0.200 0.000 1.940 304 A HA -0.193 4.609 4.320 0.804 0.000 0.219 304 A C 1.957 179.515 177.584 -0.045 0.000 1.176 304 A CA 1.705 53.544 52.037 -0.330 0.000 0.631 304 A CB -1.315 17.808 19.000 0.205 0.000 0.814 304 A HN 0.585 nan 8.150 nan 0.000 0.446 305 F N -0.078 119.712 119.950 -0.267 0.000 2.179 305 F HA 0.008 5.030 4.527 0.825 0.000 0.292 305 F C 2.374 177.921 175.800 -0.423 0.000 1.089 305 F CA 1.780 59.348 58.000 -0.720 0.000 1.295 305 F CB -0.328 38.011 39.000 -1.101 0.000 1.041 305 F HN 0.229 nan 8.300 nan 0.000 0.487 306 Q N -0.304 119.283 119.800 -0.354 0.000 2.297 306 Q HA -0.099 4.724 4.340 0.804 0.000 0.204 306 Q C 1.952 177.747 176.000 -0.342 0.000 0.962 306 Q CA 1.357 56.946 55.803 -0.357 0.000 0.879 306 Q CB -0.100 28.529 28.738 -0.182 0.000 0.947 306 Q HN 0.479 nan 8.270 nan 0.000 0.462 307 S N -1.491 113.959 115.700 -0.417 0.000 2.575 307 S HA 0.188 5.140 4.470 0.804 0.000 0.215 307 S C 0.501 174.893 174.600 -0.347 0.000 0.966 307 S CA -0.561 57.408 58.200 -0.384 0.000 0.911 307 S CB 0.583 63.444 63.200 -0.565 0.000 0.780 307 S HN -0.059 nan 8.310 nan 0.000 0.514 308 S N 0.960 116.452 115.700 -0.347 0.000 2.648 308 S HA 0.531 5.483 4.470 0.804 0.000 0.305 308 S C 0.168 174.562 174.600 -0.344 0.000 1.094 308 S CA -0.781 57.262 58.200 -0.262 0.000 0.983 308 S CB 1.673 64.798 63.200 -0.126 0.000 1.101 308 S HN 0.191 nan 8.310 nan 0.000 0.514 309 E N 0.873 120.838 120.200 -0.391 0.000 2.434 309 E HA 0.127 4.959 4.350 0.804 0.000 0.207 309 E C 0.416 176.471 176.600 -0.908 0.000 0.929 309 E CA 0.537 56.599 56.400 -0.563 0.000 1.001 309 E CB 0.715 30.215 29.700 -0.333 0.000 1.016 309 E HN 0.789 nan 8.360 nan 0.000 0.502 310 T N -2.240 111.908 114.554 -0.676 0.000 2.906 310 T HA 0.349 5.181 4.350 0.804 0.000 0.295 310 T C 0.833 175.427 174.700 -0.176 0.000 1.061 310 T CA -0.692 61.088 62.100 -0.533 0.000 1.000 310 T CB 1.963 70.699 68.868 -0.222 0.000 1.103 310 T HN -0.226 nan 8.240 nan 0.000 0.486 311 M N 1.347 120.861 119.600 -0.143 0.000 2.106 311 M HA -0.041 4.921 4.480 0.804 0.000 0.259 311 M C 1.910 178.240 176.300 0.050 0.000 1.068 311 M CA 1.928 57.182 55.300 -0.076 0.000 1.100 311 M CB -1.018 31.005 32.600 -0.961 0.000 1.351 311 M HN 0.858 nan 8.290 nan 0.000 0.404 312 E N -0.670 119.577 120.200 0.077 0.000 2.077 312 E HA -0.153 4.679 4.350 0.804 0.000 0.193 312 E C 1.954 178.726 176.600 0.287 0.000 0.989 312 E CA 1.281 57.853 56.400 0.287 0.000 0.800 312 E CB -0.325 29.543 29.700 0.280 0.000 0.746 312 E HN 0.664 nan 8.360 nan 0.000 0.452 313 A N 0.953 123.890 122.820 0.195 0.000 1.968 313 A HA -0.138 4.664 4.320 0.804 0.000 0.217 313 A C 1.924 179.644 177.584 0.225 0.000 1.169 313 A CA 0.719 52.853 52.037 0.162 0.000 0.638 313 A CB -0.557 18.478 19.000 0.057 0.000 0.812 313 A HN 0.336 nan 8.150 nan 0.000 0.446 314 F N -0.271 119.765 119.950 0.143 0.000 2.095 314 F HA -0.185 4.813 4.527 0.785 0.000 0.298 314 F C 1.971 177.956 175.800 0.308 0.000 1.104 314 F CA 1.475 59.590 58.000 0.192 0.000 1.232 314 F CB -0.873 38.322 39.000 0.325 0.000 0.987 314 F HN 0.287 nan 8.300 nan 0.000 0.475 315 Y N 0.867 121.111 120.300 -0.092 0.000 2.293 315 Y HA -0.099 4.914 4.550 0.772 0.000 0.291 315 Y C 2.657 178.670 175.900 0.188 0.000 1.137 315 Y CA 1.628 59.700 58.100 -0.047 0.000 1.202 315 Y CB -0.820 37.785 38.460 0.242 0.000 0.990 315 Y HN 0.316 nan 8.280 nan 0.000 0.537 316 E N 0.193 120.598 120.200 0.342 0.000 2.072 316 E HA -0.196 4.637 4.350 0.804 0.000 0.191 316 E C 1.962 178.706 176.600 0.240 0.000 0.985 316 E CA 1.120 57.698 56.400 0.297 0.000 0.801 316 E CB 0.043 29.896 29.700 0.255 0.000 0.750 316 E HN 0.363 nan 8.360 nan 0.000 0.452 317 K N 0.399 120.911 120.400 0.187 0.000 2.057 317 K HA -0.150 4.652 4.320 0.804 0.000 0.207 317 K C 2.164 178.937 176.600 0.289 0.000 1.049 317 K CA 1.429 57.827 56.287 0.185 0.000 0.931 317 K CB -0.040 32.414 32.500 -0.076 0.000 0.714 317 K HN 0.188 nan 8.250 nan 0.000 0.440 318 E N 0.923 121.250 120.200 0.211 0.000 2.118 318 E HA -0.213 4.619 4.350 0.804 0.000 0.195 318 E C 2.133 178.833 176.600 0.166 0.000 0.992 318 E CA 0.876 57.436 56.400 0.267 0.000 0.804 318 E CB -0.118 29.637 29.700 0.092 0.000 0.741 318 E HN 0.243 nan 8.360 nan 0.000 0.458 319 L N 1.111 122.463 121.223 0.215 0.000 2.017 319 L HA -0.256 4.566 4.340 0.804 0.000 0.208 319 L C 2.454 179.433 176.870 0.183 0.000 1.073 319 L CA 1.504 56.471 54.840 0.213 0.000 0.745 319 L CB -0.094 42.175 42.059 0.351 0.000 0.894 319 L HN 0.091 nan 8.230 nan 0.000 0.432 320 Q N -1.319 118.616 119.800 0.225 0.000 2.181 320 Q HA -0.254 4.568 4.340 0.804 0.000 0.205 320 Q C 2.006 178.120 176.000 0.190 0.000 0.980 320 Q CA 2.042 57.964 55.803 0.199 0.000 0.862 320 Q CB -0.207 28.651 28.738 0.201 0.000 0.905 320 Q HN 0.541 nan 8.270 nan 0.000 0.429 321 F N -1.052 118.938 119.950 0.067 0.000 2.149 321 F HA -0.116 4.895 4.527 0.807 0.000 0.294 321 F C 1.253 177.066 175.800 0.022 0.000 1.095 321 F CA 1.153 59.140 58.000 -0.022 0.000 1.276 321 F CB -0.044 38.901 39.000 -0.093 0.000 1.023 321 F HN 0.024 nan 8.300 nan 0.000 0.480 322 W N -0.919 120.472 121.300 0.151 0.000 2.539 322 W HA 0.076 5.254 4.660 0.862 0.000 0.281 322 W C 2.161 178.555 176.519 -0.207 0.000 1.220 322 W CA 1.059 58.359 57.345 -0.073 0.000 1.332 322 W CB -0.553 28.622 29.460 -0.475 0.000 1.095 322 W HN -0.257 nan 8.180 nan 0.000 0.571 323 V N -0.565 119.398 119.914 0.081 0.000 2.575 323 V HA 0.429 5.031 4.120 0.804 0.000 0.242 323 V C 1.122 177.222 176.094 0.011 0.000 1.045 323 V CA 1.454 63.799 62.300 0.074 0.000 1.065 323 V CB -0.570 31.364 31.823 0.184 0.000 0.717 323 V HN 0.222 nan 8.190 nan 0.000 0.467 324 G N -0.581 108.258 108.800 0.065 0.000 2.462 324 G HA2 -0.124 4.319 3.960 0.804 0.000 0.685 324 G HA3 -0.124 4.319 3.960 0.804 0.000 0.685 324 G C 0.349 175.298 174.900 0.081 0.000 1.295 324 G CA -0.048 45.088 45.100 0.059 0.000 0.941 324 G HN -0.004 nan 8.290 nan 0.000 0.554 325 S N -0.738 115.000 115.700 0.064 0.000 2.447 325 S HA -0.054 4.898 4.470 0.804 0.000 0.233 325 S C 2.528 177.163 174.600 0.060 0.000 1.006 325 S CA 2.176 60.416 58.200 0.067 0.000 0.957 325 S CB -0.279 62.951 63.200 0.051 0.000 0.773 325 S HN 0.811 nan 8.310 nan 0.000 0.507 326 T N 0.614 115.190 114.554 0.037 0.000 2.788 326 T HA 0.069 4.901 4.350 0.804 0.000 0.268 326 T C 1.614 176.363 174.700 0.082 0.000 1.044 326 T CA 1.183 63.307 62.100 0.040 0.000 1.139 326 T CB -0.593 68.281 68.868 0.009 0.000 0.867 326 T HN 0.609 nan 8.240 nan 0.000 0.454 327 G N 1.909 110.776 108.800 0.112 0.000 2.143 327 G HA2 -0.241 4.201 3.960 0.804 0.000 0.248 327 G HA3 -0.241 4.201 3.960 0.804 0.000 0.248 327 G C 0.008 175.014 174.900 0.177 0.000 0.991 327 G CA 0.220 45.425 45.100 0.176 0.000 0.689 327 G HN 0.613 nan 8.290 nan 0.000 0.522 328 N N -0.323 118.447 118.700 0.117 0.000 2.533 328 N HA 0.419 5.641 4.740 0.804 0.000 0.289 328 N C -1.301 174.255 175.510 0.077 0.000 1.103 328 N CA -1.668 51.439 53.050 0.095 0.000 0.877 328 N CB 2.177 40.695 38.487 0.052 0.000 1.419 328 N HN -0.058 nan 8.380 nan 0.000 0.517 329 P HA -0.042 nan 4.420 nan 0.000 0.222 329 P C 0.762 178.108 177.300 0.076 0.000 1.147 329 P CA 0.719 63.914 63.100 0.160 0.000 0.790 329 P CB 0.379 32.302 31.700 0.371 0.000 0.780 330 A N 0.089 122.918 122.820 0.015 0.000 2.072 330 A HA -0.024 4.779 4.320 0.804 0.000 0.216 330 A C 1.151 178.715 177.584 -0.033 0.000 1.156 330 A CA 0.870 52.886 52.037 -0.035 0.000 0.701 330 A CB -0.251 18.691 19.000 -0.097 0.000 0.816 330 A HN 0.083 nan 8.150 nan 0.000 0.458 331 E N 1.535 121.721 120.200 -0.023 0.000 3.568 331 E HA 0.163 4.996 4.350 0.804 0.000 0.213 331 E C -0.683 175.894 176.600 -0.039 0.000 1.197 331 E CA -0.181 56.202 56.400 -0.028 0.000 1.126 331 E CB 0.065 29.755 29.700 -0.016 0.000 1.285 331 E HN 0.481 nan 8.360 nan 0.000 0.418 332 T N -1.390 113.132 114.554 -0.053 0.000 2.882 332 T HA 0.264 5.096 4.350 0.804 0.000 0.287 332 T C 0.103 174.714 174.700 -0.149 0.000 1.014 332 T CA -0.726 61.310 62.100 -0.106 0.000 1.049 332 T CB 1.788 70.586 68.868 -0.116 0.000 1.001 332 T HN -0.047 nan 8.240 nan 0.000 0.525 333 D N 0.379 120.625 120.400 -0.256 0.000 2.427 333 D HA 0.380 5.502 4.640 0.804 0.000 0.226 333 D C 1.271 177.276 176.300 -0.493 0.000 1.076 333 D CA -0.589 53.255 54.000 -0.260 0.000 0.849 333 D CB 0.596 41.301 40.800 -0.159 0.000 1.052 333 D HN 0.726 nan 8.370 nan 0.000 0.515 334 G N 2.604 111.097 108.800 -0.511 0.000 2.598 334 G HA2 -0.180 4.263 3.960 0.804 0.000 0.215 334 G HA3 -0.180 4.263 3.960 0.804 0.000 0.215 334 G C 1.003 175.743 174.900 -0.266 0.000 1.131 334 G CA 0.326 45.044 45.100 -0.635 0.000 0.785 334 G HN 0.518 nan 8.290 nan 0.000 0.539 335 Q N 0.017 119.716 119.800 -0.168 0.000 2.392 335 Q HA 0.166 4.988 4.340 0.804 0.000 0.203 335 Q C 1.255 177.223 176.000 -0.053 0.000 0.917 335 Q CA -0.257 55.505 55.803 -0.068 0.000 0.939 335 Q CB 0.438 29.153 28.738 -0.039 0.000 1.063 335 Q HN 0.350 nan 8.270 nan 0.000 0.516 336 S N 0.528 116.162 115.700 -0.110 0.000 2.585 336 S HA 0.048 5.000 4.470 0.804 0.000 0.273 336 S C 0.978 175.591 174.600 0.023 0.000 1.339 336 S CA -0.573 57.596 58.200 -0.051 0.000 1.028 336 S CB 0.640 63.785 63.200 -0.091 0.000 0.906 336 S HN 0.204 nan 8.310 nan 0.000 0.528 337 N N 2.043 120.806 118.700 0.105 0.000 2.166 337 N HA -0.057 5.165 4.740 0.804 0.000 0.186 337 N C -0.115 175.610 175.510 0.359 0.000 1.019 337 N CA 0.963 54.143 53.050 0.216 0.000 0.856 337 N CB -0.064 38.535 38.487 0.187 0.000 0.993 337 N HN 0.734 nan 8.380 nan 0.000 0.426 338 W N 1.473 122.787 121.300 0.023 0.000 2.443 338 W HA 0.280 5.419 4.660 0.798 0.000 0.303 338 W C -2.244 174.129 176.519 -0.243 0.000 0.991 338 W CA -1.822 55.493 57.345 -0.051 0.000 1.522 338 W CB 1.403 30.811 29.460 -0.086 0.000 1.315 338 W HN 0.031 nan 8.180 nan 0.000 0.419 339 P HA -0.022 nan 4.420 nan 0.000 0.220 339 P C 0.569 177.435 177.300 -0.723 0.000 1.148 339 P CA 1.651 64.251 63.100 -0.834 0.000 0.803 339 P CB 0.348 31.150 31.700 -1.497 0.000 0.782 340 G N -1.340 106.971 108.800 -0.814 0.000 2.692 340 G HA2 -0.186 4.257 3.960 0.804 0.000 0.686 340 G HA3 -0.186 4.257 3.960 0.804 0.000 0.686 340 G C 0.443 175.014 174.900 -0.549 0.000 1.243 340 G CA -0.412 44.394 45.100 -0.491 0.000 0.782 340 G HN -0.162 nan 8.290 nan 0.000 0.625 341 M N 1.182 120.583 119.600 -0.333 0.000 2.213 341 M HA -0.087 4.875 4.480 0.804 0.000 0.263 341 M C 2.884 179.052 176.300 -0.220 0.000 1.062 341 M CA 2.348 57.586 55.300 -0.104 0.000 1.105 341 M CB -1.655 30.965 32.600 0.034 0.000 1.385 341 M HN 1.333 nan 8.290 nan 0.000 0.417 342 A N -1.234 121.283 122.820 -0.505 0.000 2.070 342 A HA -0.209 4.593 4.320 0.804 0.000 0.220 342 A C 1.939 179.350 177.584 -0.287 0.000 1.159 342 A CA 1.801 53.584 52.037 -0.423 0.000 0.656 342 A CB -1.098 17.774 19.000 -0.212 0.000 0.800 342 A HN 0.566 nan 8.150 nan 0.000 0.453 343 H N -2.110 116.582 119.070 -0.629 0.000 2.423 343 H HA -0.122 4.915 4.556 0.802 0.000 0.297 343 H C 1.416 176.126 175.328 -1.030 0.000 1.075 343 H CA 2.087 57.566 56.048 -0.948 0.000 1.342 343 H CB -0.014 28.822 29.762 -1.543 0.000 1.395 343 H HN 0.683 nan 8.280 nan 0.000 0.530 344 W N -1.527 119.401 121.300 -0.620 0.000 2.873 344 W HA 0.230 5.369 4.660 0.799 0.000 0.282 344 W C -0.568 175.428 176.519 -0.872 0.000 1.118 344 W CA -0.217 56.529 57.345 -0.998 0.000 1.480 344 W CB 0.146 28.582 29.460 -1.707 0.000 0.954 344 W HN -0.051 nan 8.180 nan 0.000 0.591 345 F N 1.609 121.569 119.950 0.017 0.000 2.467 345 F HA 0.438 5.452 4.527 0.811 0.000 0.336 345 F C -2.111 173.832 175.800 0.238 0.000 1.123 345 F CA -2.779 55.316 58.000 0.158 0.000 0.964 345 F CB 0.684 39.851 39.000 0.278 0.000 1.136 345 F HN -0.462 nan 8.300 nan 0.000 0.447 346 P HA 0.173 nan 4.420 nan 0.000 0.268 346 P C -0.795 176.782 177.300 0.463 0.000 1.205 346 P CA -0.257 63.060 63.100 0.361 0.000 0.771 346 P CB 0.658 32.502 31.700 0.240 0.000 0.858 347 A N 3.780 126.843 122.820 0.405 0.000 2.401 347 A HA 0.351 5.153 4.320 0.804 0.000 0.259 347 A C 0.266 177.883 177.584 0.055 0.000 1.103 347 A CA -0.164 51.941 52.037 0.113 0.000 0.789 347 A CB 0.013 18.981 19.000 -0.053 0.000 1.035 347 A HN 0.396 nan 8.150 nan 0.000 0.491 348 K N 1.158 121.571 120.400 0.022 0.000 2.166 348 K HA 0.680 5.482 4.320 0.804 0.000 0.245 348 K C -0.608 175.953 176.600 -0.065 0.000 0.967 348 K CA -0.526 55.769 56.287 0.013 0.000 0.863 348 K CB 1.794 34.337 32.500 0.071 0.000 1.107 348 K HN 0.533 nan 8.250 nan 0.000 0.436 349 S N -0.288 115.363 115.700 -0.082 0.000 2.541 349 S HA 0.219 5.171 4.470 0.804 0.000 0.280 349 S C -0.134 174.415 174.600 -0.085 0.000 1.112 349 S CA -0.491 57.636 58.200 -0.121 0.000 0.925 349 S CB 1.731 64.807 63.200 -0.206 0.000 1.067 349 S HN 0.625 nan 8.310 nan 0.000 0.479 350 T N 2.733 117.247 114.554 -0.068 0.000 3.145 350 T HA 0.373 5.206 4.350 0.804 0.000 0.255 350 T C 0.574 175.220 174.700 -0.090 0.000 1.039 350 T CA 0.345 62.416 62.100 -0.048 0.000 0.928 350 T CB -0.585 68.281 68.868 -0.002 0.000 1.029 350 T HN 0.753 nan 8.240 nan 0.000 0.554 351 A N 1.629 124.293 122.820 -0.260 0.000 3.048 351 A HA 0.385 5.187 4.320 0.804 0.000 0.264 351 A C 1.429 178.796 177.584 -0.361 0.000 1.796 351 A CA 0.077 51.758 52.037 -0.593 0.000 1.445 351 A CB -1.030 17.159 19.000 -1.351 0.000 1.074 351 A HN 0.556 nan 8.150 nan 0.000 0.621 352 T N -3.380 111.077 114.554 -0.162 0.000 3.091 352 T HA 0.422 5.254 4.350 0.804 0.000 0.277 352 T C 0.247 174.918 174.700 -0.050 0.000 0.996 352 T CA 0.291 62.331 62.100 -0.100 0.000 0.897 352 T CB 0.035 68.865 68.868 -0.064 0.000 1.109 352 T HN 0.403 nan 8.240 nan 0.000 0.534 353 S N 0.494 116.181 115.700 -0.022 0.000 2.548 353 S HA 0.644 5.596 4.470 0.804 0.000 0.276 353 S C -1.048 173.582 174.600 0.050 0.000 1.129 353 S CA -0.475 57.736 58.200 0.017 0.000 0.931 353 S CB 1.779 64.999 63.200 0.033 0.000 1.068 353 S HN 0.212 nan 8.310 nan 0.000 0.480 354 V N 5.986 125.921 119.914 0.035 0.000 2.439 354 V HA 0.487 5.090 4.120 0.804 0.000 0.282 354 V C -1.896 174.223 176.094 0.042 0.000 1.039 354 V CA -1.402 60.924 62.300 0.043 0.000 0.913 354 V CB 1.038 32.873 31.823 0.020 0.000 0.983 354 V HN 0.797 nan 8.190 nan 0.000 0.460 355 P HA 0.353 nan 4.420 nan 0.000 0.279 355 P C -1.081 176.272 177.300 0.088 0.000 1.239 355 P CA -0.367 62.763 63.100 0.049 0.000 0.789 355 P CB 0.480 32.195 31.700 0.025 0.000 0.933 356 F N 3.437 123.341 119.950 -0.078 0.000 2.411 356 F HA 0.509 5.509 4.527 0.788 0.000 0.352 356 F C -1.122 174.579 175.800 -0.164 0.000 1.123 356 F CA -0.754 57.170 58.000 -0.126 0.000 1.044 356 F CB 1.026 39.920 39.000 -0.177 0.000 1.135 356 F HN 0.041 nan 8.300 nan 0.000 0.461 357 V N 5.177 124.517 119.914 -0.956 0.000 2.638 357 V HA 0.588 5.190 4.120 0.804 0.000 0.306 357 V C -0.410 175.049 176.094 -1.060 0.000 1.052 357 V CA -0.605 61.188 62.300 -0.845 0.000 0.885 357 V CB 1.772 33.348 31.823 -0.412 0.000 0.999 357 V HN 0.857 nan 8.190 nan 0.000 0.424 358 T N 1.724 115.650 114.554 -1.046 0.000 2.903 358 T HA 0.617 5.449 4.350 0.804 0.000 0.299 358 T C -0.461 173.688 174.700 -0.919 0.000 1.093 358 T CA -0.246 61.343 62.100 -0.852 0.000 1.002 358 T CB 1.352 69.712 68.868 -0.846 0.000 1.127 358 T HN 0.829 nan 8.240 nan 0.000 0.488 359 H N 2.315 121.080 119.070 -0.508 0.000 2.916 359 H HA 0.376 5.409 4.556 0.796 0.000 0.262 359 H C -0.245 175.134 175.328 0.086 0.000 1.178 359 H CA -0.346 55.563 56.048 -0.232 0.000 1.090 359 H CB -0.083 29.518 29.762 -0.268 0.000 1.657 359 H HN 0.619 nan 8.280 nan 0.000 0.601 360 F N -0.120 119.965 119.950 0.225 0.000 3.091 360 F HA -0.288 4.718 4.527 0.799 0.000 0.288 360 F C 0.426 176.384 175.800 0.264 0.000 0.907 360 F CA 0.138 58.343 58.000 0.340 0.000 1.028 360 F CB -1.729 37.522 39.000 0.419 0.000 1.022 360 F HN 0.326 nan 8.300 nan 0.000 0.665 361 N N 1.360 120.235 118.700 0.292 0.000 2.420 361 N HA 0.089 5.311 4.740 0.804 0.000 0.262 361 N C 1.281 176.925 175.510 0.224 0.000 1.144 361 N CA 0.933 54.144 53.050 0.267 0.000 0.952 361 N CB 1.091 39.733 38.487 0.258 0.000 1.081 361 N HN 0.351 nan 8.380 nan 0.000 0.480 362 T N 0.625 115.296 114.554 0.195 0.000 3.088 362 T HA 0.169 5.002 4.350 0.804 0.000 0.259 362 T C 1.225 176.046 174.700 0.200 0.000 1.122 362 T CA 0.652 62.831 62.100 0.132 0.000 1.095 362 T CB -0.025 68.931 68.868 0.146 0.000 0.930 362 T HN 0.623 nan 8.240 nan 0.000 0.508 363 G N 0.666 109.601 108.800 0.225 0.000 2.184 363 G HA2 -0.108 4.334 3.960 0.804 0.000 0.206 363 G HA3 -0.108 4.334 3.960 0.804 0.000 0.206 363 G C 0.195 175.041 174.900 -0.089 0.000 0.995 363 G CA 0.219 45.437 45.100 0.197 0.000 0.651 363 G HN 1.547 nan 8.290 nan 0.000 0.511 364 S N -1.431 114.057 115.700 -0.353 0.000 2.625 364 S HA 0.958 5.910 4.470 0.804 0.000 0.271 364 S C -0.277 173.880 174.600 -0.739 0.000 1.161 364 S CA 0.318 57.966 58.200 -0.920 0.000 0.820 364 S CB 2.106 65.087 63.200 -0.364 0.000 1.137 364 S HN 2.027 nan 8.310 nan 0.000 0.470 365 G N -0.942 107.246 108.800 -1.021 0.000 2.623 365 G HA2 0.701 5.144 3.960 0.804 0.000 0.290 365 G HA3 0.701 5.144 3.960 0.804 0.000 0.290 365 G C 0.086 174.520 174.900 -0.775 0.000 1.437 365 G CA -0.212 44.575 45.100 -0.522 0.000 0.798 365 G HN 1.389 nan 8.290 nan 0.000 0.488 366 A N -0.931 121.388 122.820 -0.835 0.000 2.238 366 A HA 0.514 5.316 4.320 0.804 0.000 0.210 366 A C 0.844 178.392 177.584 -0.060 0.000 1.179 366 A CA 1.494 53.188 52.037 -0.571 0.000 0.827 366 A CB 0.023 18.662 19.000 -0.602 0.000 0.856 366 A HN 0.867 nan 8.150 nan 0.000 0.488 367 Q N -1.612 118.277 119.800 0.149 0.000 2.633 367 Q HA 0.445 5.267 4.340 0.804 0.000 0.289 367 Q C -2.388 173.894 176.000 0.471 0.000 0.940 367 Q CA -0.600 55.363 55.803 0.268 0.000 0.785 367 Q CB 0.865 29.686 28.738 0.137 0.000 1.467 367 Q HN 0.155 nan 8.270 nan 0.000 0.401 368 F N 0.880 120.928 119.950 0.163 0.000 2.539 368 F HA 0.606 5.612 4.527 0.800 0.000 0.318 368 F C -0.931 174.867 175.800 -0.003 0.000 1.135 368 F CA -0.161 57.852 58.000 0.022 0.000 0.915 368 F CB 2.201 41.009 39.000 -0.320 0.000 1.176 368 F HN 0.445 nan 8.300 nan 0.000 0.440 369 S N 3.373 119.053 115.700 -0.032 0.000 2.549 369 S HA 0.908 5.861 4.470 0.804 0.000 0.297 369 S C -0.894 173.702 174.600 -0.007 0.000 1.115 369 S CA -0.637 57.566 58.200 0.004 0.000 1.059 369 S CB 1.656 64.816 63.200 -0.067 0.000 1.046 369 S HN 0.800 nan 8.310 nan 0.000 0.506 370 A N 1.695 124.498 122.820 -0.027 0.000 2.353 370 A HA 0.678 5.480 4.320 0.804 0.000 0.299 370 A C -0.012 177.372 177.584 -0.333 0.000 1.089 370 A CA -0.650 51.316 52.037 -0.119 0.000 0.736 370 A CB 0.159 19.188 19.000 0.047 0.000 1.195 370 A HN 0.919 nan 8.150 nan 0.000 0.447 371 E N 1.342 121.113 120.200 -0.714 0.000 2.403 371 E HA -0.281 4.551 4.350 0.804 0.000 0.241 371 E C 1.048 177.208 176.600 -0.733 0.000 1.201 371 E CA 1.203 56.972 56.400 -1.050 0.000 0.721 371 E CB -1.511 27.939 29.700 -0.418 0.000 1.245 371 E HN 2.274 nan 8.360 nan 0.000 0.392 372 G N -0.082 108.270 108.800 -0.747 0.000 2.162 372 G HA2 -0.361 4.082 3.960 0.804 0.000 0.260 372 G HA3 -0.361 4.082 3.960 0.804 0.000 0.260 372 G C 0.115 175.084 174.900 0.115 0.000 0.976 372 G CA 0.837 45.828 45.100 -0.183 0.000 0.655 372 G HN 0.243 nan 8.290 nan 0.000 0.533 373 K N 0.727 121.121 120.400 -0.010 0.000 2.292 373 K HA 0.470 5.272 4.320 0.804 0.000 0.257 373 K C -0.068 176.560 176.600 0.046 0.000 0.940 373 K CA -0.525 55.787 56.287 0.043 0.000 0.811 373 K CB 1.346 33.855 32.500 0.015 0.000 1.120 373 K HN 0.063 nan 8.250 nan 0.000 0.428 374 T N 2.001 116.599 114.554 0.073 0.000 2.829 374 T HA 0.013 4.845 4.350 0.804 0.000 0.293 374 T C 1.283 176.040 174.700 0.096 0.000 0.970 374 T CA -0.164 61.991 62.100 0.092 0.000 1.168 374 T CB 0.241 69.161 68.868 0.087 0.000 0.911 374 T HN 0.487 nan 8.240 nan 0.000 0.535 375 V N 0.887 120.882 119.914 0.136 0.000 3.643 375 V HA 0.489 5.092 4.120 0.804 0.000 0.280 375 V C 0.623 176.776 176.094 0.099 0.000 1.351 375 V CA -0.170 62.218 62.300 0.147 0.000 1.073 375 V CB 0.349 32.325 31.823 0.254 0.000 0.863 375 V HN 0.676 nan 8.190 nan 0.000 0.436 376 S N -0.165 115.598 115.700 0.105 0.000 2.562 376 S HA 0.448 5.400 4.470 0.804 0.000 0.274 376 S C -0.137 174.536 174.600 0.121 0.000 1.160 376 S CA -0.393 57.853 58.200 0.077 0.000 0.933 376 S CB 2.030 65.236 63.200 0.010 0.000 1.100 376 S HN 0.257 nan 8.310 nan 0.000 0.468 377 E N 1.843 122.101 120.200 0.096 0.000 2.474 377 E HA 0.157 4.989 4.350 0.804 0.000 0.195 377 E C -0.176 176.490 176.600 0.111 0.000 1.039 377 E CA 0.164 56.622 56.400 0.098 0.000 0.881 377 E CB 0.341 30.081 29.700 0.068 0.000 0.970 377 E HN 0.555 nan 8.360 nan 0.000 0.486 378 Q N 0.808 120.690 119.800 0.136 0.000 2.259 378 Q HA 0.177 4.999 4.340 0.804 0.000 0.249 378 Q C 0.102 176.246 176.000 0.240 0.000 0.914 378 Q CA -0.075 55.819 55.803 0.152 0.000 0.904 378 Q CB 0.986 29.801 28.738 0.128 0.000 1.213 378 Q HN 0.137 nan 8.270 nan 0.000 0.428 379 E N 2.739 123.047 120.200 0.179 0.000 2.437 379 E HA 0.053 4.885 4.350 0.804 0.000 0.263 379 E C -0.345 176.443 176.600 0.313 0.000 1.030 379 E CA 0.368 56.873 56.400 0.176 0.000 0.934 379 E CB 0.516 30.304 29.700 0.147 0.000 0.943 379 E HN 0.497 nan 8.360 nan 0.000 0.444 380 W N 1.587 122.980 121.300 0.156 0.000 3.248 380 W HA 0.394 5.529 4.660 0.791 0.000 0.311 380 W C -1.677 174.957 176.519 0.191 0.000 1.258 380 W CA -1.073 56.365 57.345 0.155 0.000 1.191 380 W CB 0.345 29.907 29.460 0.170 0.000 1.389 380 W HN 0.570 nan 8.180 nan 0.000 0.561 381 N N 1.495 120.332 118.700 0.228 0.000 2.225 381 N HA 0.527 5.750 4.740 0.804 0.000 0.298 381 N C -1.712 174.042 175.510 0.406 0.000 1.076 381 N CA -0.661 52.438 53.050 0.083 0.000 0.792 381 N CB 2.066 40.526 38.487 -0.044 0.000 1.498 381 N HN 0.418 nan 8.380 nan 0.000 0.474 382 N N 0.923 119.908 118.700 0.475 0.000 2.969 382 N HA 0.191 5.414 4.740 0.804 0.000 0.230 382 N C -0.642 175.073 175.510 0.342 0.000 1.397 382 N CA -0.306 52.983 53.050 0.400 0.000 0.762 382 N CB 0.838 39.581 38.487 0.428 0.000 1.495 382 N HN 0.714 nan 8.380 nan 0.000 0.583 383 R N 0.162 120.788 120.500 0.210 0.000 2.285 383 R HA 0.058 4.880 4.340 0.804 0.000 0.213 383 R C 1.230 177.628 176.300 0.164 0.000 1.068 383 R CA 0.890 57.105 56.100 0.193 0.000 1.004 383 R CB 0.141 30.541 30.300 0.167 0.000 0.873 383 R HN 0.320 nan 8.270 nan 0.000 0.467 384 S N 0.733 116.519 115.700 0.142 0.000 2.442 384 S HA -0.022 4.931 4.470 0.804 0.000 0.236 384 S C 1.489 176.162 174.600 0.121 0.000 1.007 384 S CA 0.817 59.076 58.200 0.098 0.000 0.965 384 S CB 0.043 63.295 63.200 0.087 0.000 0.773 384 S HN 0.309 nan 8.310 nan 0.000 0.504 385 L N 0.619 121.966 121.223 0.206 0.000 2.585 385 L HA 0.212 5.035 4.340 0.804 0.000 0.226 385 L C 1.056 178.106 176.870 0.300 0.000 1.113 385 L CA -0.040 54.953 54.840 0.255 0.000 0.876 385 L CB -0.223 41.989 42.059 0.256 0.000 1.072 385 L HN 0.277 nan 8.230 nan 0.000 0.468 386 Q N 1.593 121.551 119.800 0.264 0.000 2.286 386 Q HA -0.017 4.805 4.340 0.804 0.000 0.290 386 Q C -0.627 175.495 176.000 0.203 0.000 1.049 386 Q CA 0.140 56.084 55.803 0.236 0.000 0.923 386 Q CB 0.794 29.669 28.738 0.229 0.000 1.183 386 Q HN 0.162 nan 8.270 nan 0.000 0.383 387 D N 1.913 122.424 120.400 0.184 0.000 2.423 387 D HA 0.173 5.295 4.640 0.804 0.000 0.255 387 D C -0.568 175.814 176.300 0.137 0.000 1.174 387 D CA -0.416 53.666 54.000 0.136 0.000 1.008 387 D CB 0.999 41.831 40.800 0.054 0.000 1.101 387 D HN 0.307 nan 8.370 nan 0.000 0.516 388 V N 1.892 121.889 119.914 0.138 0.000 2.421 388 V HA 0.083 4.686 4.120 0.804 0.000 0.271 388 V C 0.573 176.871 176.094 0.339 0.000 1.031 388 V CA 0.005 62.440 62.300 0.224 0.000 1.032 388 V CB -0.426 31.593 31.823 0.326 0.000 1.009 388 V HN 0.203 nan 8.190 nan 0.000 0.477 389 L N 6.763 128.135 121.223 0.250 0.000 2.400 389 L HA 0.505 5.328 4.340 0.804 0.000 0.264 389 L C -2.189 174.622 176.870 -0.098 0.000 1.061 389 L CA -2.209 52.786 54.840 0.258 0.000 0.799 389 L CB 0.907 43.102 42.059 0.226 0.000 1.240 389 L HN 0.347 nan 8.230 nan 0.000 0.461 390 P HA -0.027 nan 4.420 nan 0.000 0.262 390 P C 0.378 177.084 177.300 -0.990 0.000 1.182 390 P CA 0.314 62.842 63.100 -0.953 0.000 0.761 390 P CB 0.443 31.874 31.700 -0.448 0.000 0.795 391 T N 1.430 115.281 114.554 -1.172 0.000 2.759 391 T HA -0.106 4.726 4.350 0.804 0.000 0.269 391 T C 0.270 174.281 174.700 -1.149 0.000 1.042 391 T CA 1.209 62.515 62.100 -1.323 0.000 1.140 391 T CB -0.167 67.745 68.868 -1.593 0.000 0.864 391 T HN 0.430 nan 8.240 nan 0.000 0.455 392 W N 2.148 123.185 121.300 -0.439 0.000 2.532 392 W HA 0.507 5.659 4.660 0.821 0.000 0.321 392 W C -0.307 175.954 176.519 -0.431 0.000 1.037 392 W CA -0.997 56.187 57.345 -0.268 0.000 1.220 392 W CB 0.576 29.956 29.460 -0.133 0.000 1.361 392 W HN -0.125 nan 8.180 nan 0.000 0.468 393 R N 3.000 123.353 120.500 -0.245 0.000 2.487 393 R HA 0.326 5.148 4.340 0.804 0.000 0.288 393 R C -1.344 174.788 176.300 -0.280 0.000 1.394 393 R CA -0.366 55.166 56.100 -0.948 0.000 1.155 393 R CB 0.775 30.400 30.300 -1.126 0.000 1.156 393 R HN 0.400 nan 8.270 nan 0.000 0.553 394 W N 2.336 123.725 121.300 0.148 0.000 3.032 394 W HA 0.546 5.691 4.660 0.807 0.000 0.335 394 W C -0.132 176.387 176.519 0.001 0.000 1.154 394 W CA -0.685 56.700 57.345 0.066 0.000 1.204 394 W CB 1.591 31.057 29.460 0.010 0.000 1.416 394 W HN 0.184 nan 8.180 nan 0.000 0.521 395 I N 3.017 123.685 120.570 0.163 0.000 2.382 395 I HA 0.286 4.938 4.170 0.804 0.000 0.285 395 I C -0.387 175.595 176.117 -0.224 0.000 1.007 395 I CA -0.703 60.535 61.300 -0.104 0.000 1.142 395 I CB 0.889 38.716 38.000 -0.288 0.000 1.289 395 I HN 0.354 nan 8.210 nan 0.000 0.453 396 Q N 5.161 124.813 119.800 -0.247 0.000 2.387 396 Q HA 0.572 5.394 4.340 0.804 0.000 0.273 396 Q C -1.176 174.592 176.000 -0.387 0.000 1.089 396 Q CA -1.006 54.664 55.803 -0.222 0.000 0.824 396 Q CB 2.887 31.643 28.738 0.031 0.000 1.367 396 Q HN 0.469 nan 8.270 nan 0.000 0.443 397 H N 0.207 119.280 119.070 0.005 0.000 2.744 397 H HA 0.505 5.545 4.556 0.806 0.000 0.339 397 H C 0.198 175.530 175.328 0.007 0.000 1.004 397 H CA 0.141 56.180 56.048 -0.015 0.000 1.257 397 H CB 1.653 31.382 29.762 -0.054 0.000 1.552 397 H HN 0.927 nan 8.280 nan 0.000 0.522 398 G N 1.432 110.303 108.800 0.119 0.000 2.787 398 G HA2 0.286 4.728 3.960 0.804 0.000 0.685 398 G HA3 0.286 4.728 3.960 0.804 0.000 0.685 398 G C 0.239 175.149 174.900 0.017 0.000 1.437 398 G CA -0.129 45.004 45.100 0.054 0.000 0.872 398 G HN 1.346 nan 8.290 nan 0.000 0.566 399 G N -0.206 108.575 108.800 -0.033 0.000 2.828 399 G HA2 0.319 4.761 3.960 0.804 0.000 0.463 399 G HA3 0.319 4.761 3.960 0.804 0.000 0.463 399 G C -0.196 174.653 174.900 -0.086 0.000 1.394 399 G CA 0.912 45.958 45.100 -0.090 0.000 0.862 399 G HN 2.155 nan 8.290 nan 0.000 0.540 400 D N -0.050 120.272 120.400 -0.130 0.000 2.795 400 D HA 0.519 5.642 4.640 0.804 0.000 0.335 400 D C 0.460 176.653 176.300 -0.179 0.000 1.262 400 D CA -0.254 53.673 54.000 -0.122 0.000 0.885 400 D CB -0.423 40.310 40.800 -0.110 0.000 1.047 400 D HN 0.566 nan 8.370 nan 0.000 0.500 401 L N 0.413 121.528 121.223 -0.180 0.000 2.322 401 L HA 0.604 5.427 4.340 0.804 0.000 0.269 401 L C 0.232 177.003 176.870 -0.165 0.000 1.012 401 L CA -1.055 53.625 54.840 -0.267 0.000 0.815 401 L CB 2.103 43.898 42.059 -0.441 0.000 1.295 401 L HN 0.082 nan 8.230 nan 0.000 0.438 402 E N 1.028 121.070 120.200 -0.263 0.000 2.238 402 E HA 0.722 5.555 4.350 0.804 0.000 0.267 402 E C -1.558 174.981 176.600 -0.101 0.000 0.887 402 E CA -0.816 55.474 56.400 -0.184 0.000 0.769 402 E CB 2.113 31.664 29.700 -0.248 0.000 1.187 402 E HN 0.661 nan 8.360 nan 0.000 0.416 403 A N 3.167 125.796 122.820 -0.318 0.000 2.318 403 A HA 0.679 5.481 4.320 0.804 0.000 0.324 403 A C -0.520 176.427 177.584 -1.061 0.000 1.170 403 A CA -0.359 51.210 52.037 -0.780 0.000 0.810 403 A CB 1.887 20.100 19.000 -1.312 0.000 1.198 403 A HN 0.559 nan 8.150 nan 0.000 0.484 404 T N 0.907 115.018 114.554 -0.738 0.000 2.769 404 T HA 0.595 5.427 4.350 0.804 0.000 0.306 404 T C -1.474 173.002 174.700 -0.373 0.000 1.400 404 T CA -0.417 61.496 62.100 -0.313 0.000 1.007 404 T CB 0.375 69.259 68.868 0.026 0.000 1.392 404 T HN 0.363 nan 8.240 nan 0.000 0.500 405 F N 2.156 122.089 119.950 -0.028 0.000 2.399 405 F HA 0.597 5.637 4.527 0.855 0.000 0.342 405 F C 1.080 176.499 175.800 -0.635 0.000 1.106 405 F CA -0.112 57.680 58.000 -0.347 0.000 1.196 405 F CB 1.548 40.272 39.000 -0.461 0.000 1.163 405 F HN 0.384 nan 8.300 nan 0.000 0.547 406 S N 3.072 118.540 115.700 -0.386 0.000 2.482 406 S HA 0.375 5.327 4.470 0.804 0.000 0.303 406 S C -0.282 174.077 174.600 -0.401 0.000 1.091 406 S CA -0.628 57.421 58.200 -0.253 0.000 1.057 406 S CB 0.667 63.941 63.200 0.122 0.000 1.031 406 S HN 0.693 nan 8.310 nan 0.000 0.485 407 W N 2.553 123.955 121.300 0.169 0.000 3.123 407 W HA 0.283 5.407 4.660 0.773 0.000 0.383 407 W C 0.825 177.354 176.519 0.016 0.000 1.102 407 W CA -0.302 57.093 57.345 0.084 0.000 1.865 407 W CB 0.257 29.752 29.460 0.059 0.000 1.111 407 W HN 0.711 nan 8.180 nan 0.000 0.621 408 E N 0.607 120.898 120.200 0.152 0.000 2.140 408 E HA 0.001 4.833 4.350 0.804 0.000 0.191 408 E C 0.518 177.103 176.600 -0.025 0.000 0.973 408 E CA 1.050 57.477 56.400 0.045 0.000 0.829 408 E CB 0.442 30.143 29.700 0.002 0.000 0.781 408 E HN 0.170 nan 8.360 nan 0.000 0.466 409 E N -0.091 120.078 120.200 -0.051 0.000 2.238 409 E HA 0.680 5.512 4.350 0.804 0.000 0.267 409 E C -0.922 175.827 176.600 0.248 0.000 0.887 409 E CA -0.787 55.620 56.400 0.012 0.000 0.769 409 E CB 2.505 31.985 29.700 -0.367 0.000 1.187 409 E HN 0.006 nan 8.360 nan 0.000 0.416 410 A N 1.886 124.934 122.820 0.380 0.000 2.566 410 A HA 0.469 5.271 4.320 0.804 0.000 0.297 410 A C -0.958 176.638 177.584 0.020 0.000 1.059 410 A CA -0.682 51.496 52.037 0.235 0.000 0.691 410 A CB 0.669 19.730 19.000 0.102 0.000 1.282 410 A HN 0.653 nan 8.150 nan 0.000 0.401 411 F N 0.781 120.430 119.950 -0.501 0.000 2.343 411 F HA 0.324 5.331 4.527 0.799 0.000 0.286 411 F C 0.390 175.978 175.800 -0.354 0.000 1.057 411 F CA 0.932 58.436 58.000 -0.825 0.000 1.365 411 F CB 0.490 38.858 39.000 -1.054 0.000 1.114 411 F HN 0.487 nan 8.300 nan 0.000 0.545 412 E N 0.687 120.769 120.200 -0.197 0.000 2.283 412 E HA 0.467 5.299 4.350 0.804 0.000 0.258 412 E C 0.101 176.521 176.600 -0.300 0.000 0.893 412 E CA 0.319 56.557 56.400 -0.270 0.000 0.798 412 E CB 1.113 30.601 29.700 -0.354 0.000 1.242 412 E HN 0.479 nan 8.360 nan 0.000 0.414 413 G N 2.257 110.618 108.800 -0.731 0.000 2.464 413 G HA2 -0.182 4.260 3.960 0.804 0.000 0.216 413 G HA3 -0.182 4.260 3.960 0.804 0.000 0.216 413 G C 0.428 174.980 174.900 -0.580 0.000 1.186 413 G CA -0.177 44.233 45.100 -1.150 0.000 1.010 413 G HN 0.605 nan 8.290 nan 0.000 0.585 414 G N -0.255 108.607 108.800 0.104 0.000 3.441 414 G HA2 0.671 5.114 3.960 0.804 0.000 0.263 414 G HA3 0.671 5.114 3.960 0.804 0.000 0.263 414 G C 0.353 175.429 174.900 0.294 0.000 1.014 414 G CA 1.640 46.940 45.100 0.333 0.000 0.833 414 G HN 2.005 nan 8.290 nan 0.000 0.514 415 S N -0.503 115.319 115.700 0.205 0.000 2.570 415 S HA 0.815 5.767 4.470 0.804 0.000 0.270 415 S C -0.662 174.056 174.600 0.196 0.000 1.149 415 S CA -0.150 58.101 58.200 0.085 0.000 0.837 415 S CB 2.041 65.189 63.200 -0.087 0.000 1.124 415 S HN 0.753 nan 8.310 nan 0.000 0.465 416 S N 0.462 116.270 115.700 0.179 0.000 2.697 416 S HA 0.764 5.716 4.470 0.804 0.000 0.289 416 S C -1.259 173.421 174.600 0.133 0.000 1.149 416 S CA -0.955 57.420 58.200 0.292 0.000 0.850 416 S CB 1.101 64.559 63.200 0.430 0.000 1.151 416 S HN 1.207 nan 8.310 nan 0.000 0.491 417 L N 1.767 122.908 121.223 -0.135 0.000 2.281 417 L HA 0.483 5.305 4.340 0.804 0.000 0.285 417 L C 0.011 176.721 176.870 -0.266 0.000 1.074 417 L CA 0.085 54.661 54.840 -0.440 0.000 0.817 417 L CB 0.743 42.221 42.059 -0.968 0.000 1.168 417 L HN 0.876 nan 8.230 nan 0.000 0.434 418 Q N 4.290 123.921 119.800 -0.281 0.000 2.278 418 Q HA 0.248 5.071 4.340 0.804 0.000 0.257 418 Q C -1.888 174.029 176.000 -0.139 0.000 0.928 418 Q CA -0.567 55.066 55.803 -0.282 0.000 0.932 418 Q CB 0.928 29.487 28.738 -0.299 0.000 1.221 418 Q HN 0.747 nan 8.270 nan 0.000 0.434 419 W N 6.059 127.201 121.300 -0.264 0.000 2.543 419 W HA 0.319 5.464 4.660 0.808 0.000 0.318 419 W C -1.626 174.902 176.519 0.015 0.000 1.002 419 W CA -0.455 56.810 57.345 -0.134 0.000 1.302 419 W CB 0.372 29.752 29.460 -0.133 0.000 1.299 419 W HN 0.797 nan 8.180 nan 0.000 0.424 420 H N 3.196 122.135 119.070 -0.218 0.000 3.046 420 H HA 0.884 5.922 4.556 0.803 0.000 0.361 420 H C 0.117 175.301 175.328 -0.241 0.000 1.235 420 H CA -0.484 55.404 56.048 -0.267 0.000 1.146 420 H CB 1.768 31.393 29.762 -0.228 0.000 1.859 420 H HN 0.709 nan 8.280 nan 0.000 0.548 421 G N 0.319 108.923 108.800 -0.327 0.000 2.292 421 G HA2 0.178 4.620 3.960 0.804 0.000 0.194 421 G HA3 0.178 4.620 3.960 0.804 0.000 0.194 421 G C -1.411 173.329 174.900 -0.267 0.000 1.329 421 G CA -0.370 44.534 45.100 -0.327 0.000 1.100 421 G HN 0.761 nan 8.290 nan 0.000 0.470 422 S N -0.131 115.422 115.700 -0.245 0.000 2.462 422 S HA 0.716 5.668 4.470 0.804 0.000 0.294 422 S C -0.932 173.532 174.600 -0.227 0.000 1.144 422 S CA -0.279 57.789 58.200 -0.220 0.000 1.088 422 S CB 1.551 64.651 63.200 -0.166 0.000 1.009 422 S HN 1.104 nan 8.310 nan 0.000 0.484 423 L N 3.422 124.508 121.223 -0.228 0.000 2.518 423 L HA 0.615 5.437 4.340 0.804 0.000 0.262 423 L C -0.042 176.723 176.870 -0.176 0.000 0.982 423 L CA -0.221 54.496 54.840 -0.206 0.000 0.873 423 L CB 0.755 42.671 42.059 -0.238 0.000 1.198 423 L HN 0.753 nan 8.230 nan 0.000 0.427 424 A N 3.248 125.981 122.820 -0.145 0.000 2.466 424 A HA 0.225 5.027 4.320 0.804 0.000 0.238 424 A C 0.349 177.857 177.584 -0.127 0.000 1.074 424 A CA -0.108 51.855 52.037 -0.124 0.000 0.774 424 A CB 0.069 19.009 19.000 -0.099 0.000 1.015 424 A HN 0.751 nan 8.150 nan 0.000 0.498 425 E N 0.381 120.515 120.200 -0.110 0.000 2.480 425 E HA 0.290 5.122 4.350 0.804 0.000 0.258 425 E C 1.320 177.852 176.600 -0.114 0.000 0.984 425 E CA 1.093 57.430 56.400 -0.104 0.000 0.930 425 E CB -0.071 29.582 29.700 -0.078 0.000 0.936 425 E HN 1.423 nan 8.360 nan 0.000 0.466 426 G N 3.771 112.482 108.800 -0.147 0.000 2.225 426 G HA2 -0.253 4.190 3.960 0.804 0.000 0.254 426 G HA3 -0.253 4.190 3.960 0.804 0.000 0.254 426 G C 0.014 174.742 174.900 -0.286 0.000 0.988 426 G CA 0.262 45.254 45.100 -0.181 0.000 0.625 426 G HN 0.590 nan 8.290 nan 0.000 0.527 427 E N 1.197 121.251 120.200 -0.244 0.000 2.343 427 E HA 0.392 5.224 4.350 0.804 0.000 0.269 427 E C -0.167 176.235 176.600 -0.331 0.000 1.047 427 E CA -0.236 56.033 56.400 -0.218 0.000 0.874 427 E CB 0.624 30.248 29.700 -0.126 0.000 1.033 427 E HN 0.548 nan 8.360 nan 0.000 0.409 428 H N -0.157 118.877 119.070 -0.058 0.000 2.472 428 H HA 0.603 5.640 4.556 0.803 0.000 0.338 428 H C -0.633 174.654 175.328 -0.068 0.000 1.133 428 H CA -0.658 55.348 56.048 -0.069 0.000 1.216 428 H CB 1.961 31.678 29.762 -0.076 0.000 1.497 428 H HN 0.530 nan 8.280 nan 0.000 0.500 429 A N 2.509 125.364 122.820 0.058 0.000 2.449 429 A HA 0.553 5.355 4.320 0.804 0.000 0.302 429 A C -1.026 176.655 177.584 0.163 0.000 1.048 429 A CA -0.773 51.315 52.037 0.084 0.000 0.708 429 A CB 1.955 20.948 19.000 -0.011 0.000 1.274 429 A HN 0.637 nan 8.150 nan 0.000 0.410 430 Q N 0.155 120.035 119.800 0.133 0.000 2.394 430 Q HA 0.732 5.554 4.340 0.804 0.000 0.273 430 Q C -1.129 174.815 176.000 -0.092 0.000 1.089 430 Q CA -0.222 55.534 55.803 -0.079 0.000 0.812 430 Q CB 2.946 31.499 28.738 -0.310 0.000 1.353 430 Q HN 0.731 nan 8.270 nan 0.000 0.438 431 I N 0.723 121.066 120.570 -0.378 0.000 2.468 431 I HA 0.357 5.009 4.170 0.804 0.000 0.285 431 I C -1.174 174.726 176.117 -0.362 0.000 1.039 431 I CA -0.532 60.478 61.300 -0.483 0.000 1.074 431 I CB 1.317 38.711 38.000 -1.010 0.000 1.228 431 I HN 0.621 nan 8.210 nan 0.000 0.436 432 E N 7.172 127.188 120.200 -0.307 0.000 2.167 432 E HA 0.292 5.124 4.350 0.804 0.000 0.284 432 E C 0.054 176.765 176.600 0.185 0.000 1.016 432 E CA -0.270 55.980 56.400 -0.251 0.000 0.817 432 E CB 2.091 31.459 29.700 -0.554 0.000 1.080 432 E HN 0.667 nan 8.360 nan 0.000 0.397 433 L N 2.206 123.577 121.223 0.247 0.000 2.433 433 L HA 0.213 5.035 4.340 0.804 0.000 0.200 433 L C -0.129 176.592 176.870 -0.248 0.000 1.059 433 L CA 0.283 55.179 54.840 0.094 0.000 0.835 433 L CB 0.419 42.524 42.059 0.077 0.000 1.076 433 L HN 0.511 nan 8.230 nan 0.000 0.481 434 Y N -0.149 120.137 120.300 -0.023 0.000 2.425 434 Y HA 0.436 5.458 4.550 0.788 0.000 0.344 434 Y C -0.110 175.541 175.900 -0.415 0.000 0.969 434 Y CA -0.932 56.939 58.100 -0.382 0.000 1.052 434 Y CB 1.694 40.005 38.460 -0.248 0.000 1.215 434 Y HN -0.064 nan 8.280 nan 0.000 0.451 435 Q N 2.368 121.789 119.800 -0.632 0.000 2.267 435 Q HA 0.514 5.336 4.340 0.804 0.000 0.255 435 Q C -0.418 175.472 176.000 -0.184 0.000 0.923 435 Q CA -0.197 55.466 55.803 -0.234 0.000 0.925 435 Q CB 0.929 29.516 28.738 -0.252 0.000 1.195 435 Q HN 0.783 nan 8.270 nan 0.000 0.417 436 T N 0.274 114.755 114.554 -0.122 0.000 2.838 436 T HA 0.652 5.484 4.350 0.804 0.000 0.292 436 T C -1.024 173.597 174.700 -0.133 0.000 1.113 436 T CA -0.984 60.994 62.100 -0.202 0.000 1.008 436 T CB 1.570 70.278 68.868 -0.266 0.000 1.259 436 T HN 0.590 nan 8.240 nan 0.000 0.520 437 E N 0.732 120.846 120.200 -0.143 0.000 2.432 437 E HA 0.519 5.351 4.350 0.804 0.000 0.272 437 E C -1.805 174.739 176.600 -0.092 0.000 0.937 437 E CA -0.549 55.797 56.400 -0.090 0.000 0.812 437 E CB 0.803 30.464 29.700 -0.066 0.000 1.377 437 E HN 0.630 nan 8.360 nan 0.000 0.399 438 L N 6.010 127.185 121.223 -0.079 0.000 2.441 438 L HA 0.509 5.331 4.340 0.804 0.000 0.270 438 L C -2.036 174.808 176.870 -0.043 0.000 0.973 438 L CA -2.072 52.730 54.840 -0.063 0.000 0.842 438 L CB 1.793 43.807 42.059 -0.075 0.000 1.239 438 L HN 0.458 nan 8.230 nan 0.000 0.406 447 T N -0.987 113.783 114.554 0.360 0.000 2.863 447 T HA 0.850 5.682 4.350 0.804 0.000 0.285 447 T C -1.110 173.938 174.700 0.580 0.000 1.009 447 T CA -0.647 61.679 62.100 0.376 0.000 0.989 447 T CB 1.701 70.656 68.868 0.145 0.000 1.004 447 T HN 0.612 nan 8.240 nan 0.000 0.455 448 W N 0.101 121.541 121.300 0.233 0.000 3.296 448 W HA 0.677 5.818 4.660 0.801 0.000 0.314 448 W C -1.787 174.901 176.519 0.282 0.000 1.238 448 W CA -1.096 56.423 57.345 0.289 0.000 1.193 448 W CB 0.913 30.665 29.460 0.486 0.000 1.383 448 W HN 0.691 nan 8.180 nan 0.000 0.545 449 T N 3.897 118.619 114.554 0.279 0.000 2.848 449 T HA 0.716 5.548 4.350 0.804 0.000 0.285 449 T C -1.199 173.744 174.700 0.405 0.000 0.995 449 T CA -0.477 61.648 62.100 0.042 0.000 0.970 449 T CB 1.062 69.570 68.868 -0.599 0.000 0.976 449 T HN 0.633 nan 8.240 nan 0.000 0.441 450 F N -0.286 119.833 119.950 0.281 0.000 2.686 450 F HA 0.811 5.819 4.527 0.801 0.000 0.311 450 F C -1.424 174.464 175.800 0.147 0.000 1.128 450 F CA -1.403 56.813 58.000 0.360 0.000 0.946 450 F CB 1.454 40.605 39.000 0.251 0.000 1.336 450 F HN 0.247 nan 8.300 nan 0.000 0.457 451 K N 0.901 121.261 120.400 -0.066 0.000 2.259 451 K HA 0.669 5.471 4.320 0.804 0.000 0.249 451 K C -1.367 175.328 176.600 0.159 0.000 0.942 451 K CA -1.133 54.972 56.287 -0.303 0.000 0.816 451 K CB 2.102 34.207 32.500 -0.658 0.000 1.155 451 K HN 0.739 nan 8.250 nan 0.000 0.428 452 S N 1.398 117.130 115.700 0.053 0.000 2.647 452 S HA 0.171 5.123 4.470 0.804 0.000 0.300 452 S C 0.125 174.621 174.600 -0.173 0.000 1.129 452 S CA -0.608 57.580 58.200 -0.021 0.000 1.029 452 S CB 0.989 64.301 63.200 0.187 0.000 1.007 452 S HN 0.548 nan 8.310 nan 0.000 0.484 453 E N 2.980 123.003 120.200 -0.296 0.000 2.371 453 E HA 0.026 4.858 4.350 0.804 0.000 0.194 453 E C 0.222 176.473 176.600 -0.581 0.000 1.012 453 E CA 0.946 57.096 56.400 -0.416 0.000 0.860 453 E CB -0.050 29.365 29.700 -0.476 0.000 0.811 453 E HN 0.803 nan 8.360 nan 0.000 0.502 454 H N -0.192 118.763 119.070 -0.192 0.000 2.674 454 H HA 0.164 5.202 4.556 0.803 0.000 0.274 454 H C -0.272 174.992 175.328 -0.107 0.000 1.121 454 H CA -0.066 55.893 56.048 -0.149 0.000 1.132 454 H CB 0.695 30.351 29.762 -0.176 0.000 1.606 454 H HN -0.089 nan 8.280 nan 0.000 0.558 455 D N -0.371 120.019 120.400 -0.017 0.000 2.911 455 D HA -0.173 4.949 4.640 0.804 0.000 0.199 455 D C -0.619 175.752 176.300 0.119 0.000 1.041 455 D CA 0.609 54.637 54.000 0.046 0.000 1.013 455 D CB -1.586 39.235 40.800 0.036 0.000 1.093 455 D HN 0.466 nan 8.370 nan 0.000 0.431 456 N N 1.903 120.658 118.700 0.092 0.000 2.412 456 N HA 0.191 5.413 4.740 0.804 0.000 0.254 456 N C -0.045 175.725 175.510 0.433 0.000 1.232 456 N CA 0.340 53.513 53.050 0.205 0.000 0.880 456 N CB 0.505 39.108 38.487 0.194 0.000 1.076 456 N HN 0.168 nan 8.380 nan 0.000 0.458 457 D N 0.392 121.035 120.400 0.406 0.000 2.329 457 D HA 0.313 5.436 4.640 0.804 0.000 0.246 457 D C -1.082 175.378 176.300 0.266 0.000 1.111 457 D CA -0.429 53.863 54.000 0.486 0.000 0.941 457 D CB 0.626 41.685 40.800 0.431 0.000 1.169 457 D HN 0.277 nan 8.370 nan 0.000 0.441 458 L N 3.357 124.527 121.223 -0.089 0.000 2.298 458 L HA 0.424 5.246 4.340 0.804 0.000 0.284 458 L C -0.994 175.880 176.870 0.007 0.000 1.013 458 L CA -0.590 53.975 54.840 -0.458 0.000 0.824 458 L CB 0.989 42.280 42.059 -1.280 0.000 1.221 458 L HN 0.301 nan 8.230 nan 0.000 0.418 459 N N 3.350 122.058 118.700 0.014 0.000 2.508 459 N HA 0.338 5.561 4.740 0.804 0.000 0.285 459 N C -0.703 174.773 175.510 -0.057 0.000 1.144 459 N CA -0.439 52.651 53.050 0.068 0.000 0.978 459 N CB 2.302 40.834 38.487 0.076 0.000 1.180 459 N HN 0.405 nan 8.380 nan 0.000 0.484 460 V N -0.076 119.599 119.914 -0.398 0.000 2.743 460 V HA 0.738 5.340 4.120 0.804 0.000 0.301 460 V C 0.347 176.346 176.094 -0.158 0.000 1.057 460 V CA -0.277 61.655 62.300 -0.613 0.000 1.006 460 V CB 1.335 32.381 31.823 -1.294 0.000 1.024 460 V HN 0.742 nan 8.190 nan 0.000 0.473 461 G N 4.802 113.486 108.800 -0.193 0.000 2.590 461 G HA2 0.720 5.162 3.960 0.804 0.000 0.310 461 G HA3 0.720 5.162 3.960 0.804 0.000 0.310 461 G C -1.349 173.515 174.900 -0.061 0.000 1.347 461 G CA -0.544 44.381 45.100 -0.292 0.000 0.963 461 G HN 0.926 nan 8.290 nan 0.000 0.494 462 F N 0.315 120.122 119.950 -0.237 0.000 2.578 462 F HA 0.815 5.823 4.527 0.802 0.000 0.311 462 F C -0.560 175.045 175.800 -0.325 0.000 1.094 462 F CA -1.574 56.306 58.000 -0.201 0.000 0.923 462 F CB 2.026 40.920 39.000 -0.176 0.000 1.230 462 F HN 0.520 nan 8.300 nan 0.000 0.450 463 R N 3.938 124.208 120.500 -0.383 0.000 2.514 463 R HA 0.743 5.565 4.340 0.804 0.000 0.301 463 R C -1.720 174.429 176.300 -0.252 0.000 0.962 463 R CA -0.706 55.042 56.100 -0.587 0.000 0.882 463 R CB 1.534 31.181 30.300 -1.089 0.000 1.143 463 R HN 0.961 nan 8.270 nan 0.000 0.452 464 L N 2.493 123.593 121.223 -0.205 0.000 2.331 464 L HA 0.334 5.157 4.340 0.804 0.000 0.275 464 L C 0.406 177.210 176.870 -0.110 0.000 1.022 464 L CA -0.984 53.801 54.840 -0.092 0.000 0.812 464 L CB 1.463 43.500 42.059 -0.036 0.000 1.257 464 L HN 0.664 nan 8.230 nan 0.000 0.435 468 E N 0.584 120.721 120.200 -0.105 0.000 2.494 468 E HA 0.020 4.852 4.350 0.804 0.000 0.193 468 E C -0.653 175.897 176.600 -0.083 0.000 1.074 468 E CA 0.429 56.775 56.400 -0.090 0.000 0.867 468 E CB 0.226 29.893 29.700 -0.054 0.000 0.924 468 E HN 0.211 nan 8.360 nan 0.000 0.502 469 D N -0.379 119.946 120.400 -0.125 0.000 2.505 469 D HA 0.241 5.363 4.640 0.804 0.000 0.249 469 D C -0.648 175.526 176.300 -0.210 0.000 1.082 469 D CA -0.541 53.410 54.000 -0.083 0.000 0.839 469 D CB 0.927 41.684 40.800 -0.072 0.000 1.317 469 D HN -0.131 nan 8.370 nan 0.000 0.497 470 F N 1.173 120.963 119.950 -0.267 0.000 2.459 470 F HA 0.279 5.287 4.527 0.801 0.000 0.346 470 F C 1.454 176.839 175.800 -0.691 0.000 1.128 470 F CA -0.100 57.587 58.000 -0.521 0.000 1.268 470 F CB 0.783 39.400 39.000 -0.639 0.000 1.161 470 F HN -0.098 nan 8.300 nan 0.000 0.583 471 R N 3.022 123.051 120.500 -0.786 0.000 2.265 471 R HA 0.293 5.115 4.340 0.804 0.000 0.328 471 R C -1.750 174.081 176.300 -0.783 0.000 0.969 471 R CA -0.802 54.838 56.100 -0.766 0.000 0.832 471 R CB 0.924 30.649 30.300 -0.958 0.000 1.139 471 R HN 0.527 nan 8.270 nan 0.000 0.457 472 Y N 2.434 122.614 120.300 -0.200 0.000 2.353 472 Y HA 0.302 5.333 4.550 0.802 0.000 0.340 472 Y C 0.484 176.342 175.900 -0.069 0.000 0.972 472 Y CA -0.785 57.244 58.100 -0.118 0.000 1.157 472 Y CB 1.501 39.908 38.460 -0.088 0.000 1.157 472 Y HN 0.273 nan 8.280 nan 0.000 0.495 473 V N 0.129 120.105 119.914 0.104 0.000 2.789 473 V HA 0.530 5.132 4.120 0.804 0.000 0.311 473 V C -0.384 175.752 176.094 0.070 0.000 1.073 473 V CA -1.402 60.957 62.300 0.097 0.000 0.921 473 V CB 1.904 33.824 31.823 0.162 0.000 1.009 473 V HN 0.722 nan 8.190 nan 0.000 0.426 474 E N 1.950 122.158 120.200 0.014 0.000 2.404 474 E HA 0.439 5.271 4.350 0.804 0.000 0.261 474 E C 0.717 177.212 176.600 -0.177 0.000 1.074 474 E CA 0.305 56.630 56.400 -0.126 0.000 0.917 474 E CB 1.103 30.714 29.700 -0.147 0.000 0.965 474 E HN 1.167 nan 8.360 nan 0.000 0.433 475 G N 2.174 110.608 108.800 -0.610 0.000 2.667 475 G HA2 -0.036 4.406 3.960 0.804 0.000 0.250 475 G HA3 -0.036 4.406 3.960 0.804 0.000 0.250 475 G C 0.144 174.845 174.900 -0.331 0.000 1.212 475 G CA -0.159 44.645 45.100 -0.494 0.000 0.874 475 G HN 0.732 nan 8.290 nan 0.000 0.561 476 E N -0.812 119.459 120.200 0.117 0.000 2.228 476 E HA 0.054 4.886 4.350 0.804 0.000 0.197 476 E C 0.495 177.314 176.600 0.365 0.000 0.909 476 E CA 0.199 56.716 56.400 0.196 0.000 0.911 476 E CB 0.378 30.162 29.700 0.140 0.000 0.887 476 E HN 0.363 nan 8.360 nan 0.000 0.481 477 Q N 1.141 121.167 119.800 0.376 0.000 2.322 477 Q HA 0.288 5.110 4.340 0.804 0.000 0.265 477 Q C -1.215 174.871 176.000 0.142 0.000 0.985 477 Q CA -0.338 55.607 55.803 0.238 0.000 0.849 477 Q CB 1.458 30.265 28.738 0.116 0.000 1.274 477 Q HN -0.090 nan 8.270 nan 0.000 0.449 478 R N 2.545 122.960 120.500 -0.142 0.000 2.514 478 R HA 0.499 5.322 4.340 0.804 0.000 0.301 478 R C -1.127 174.957 176.300 -0.360 0.000 0.962 478 R CA -0.330 55.407 56.100 -0.606 0.000 0.882 478 R CB 1.349 31.026 30.300 -1.039 0.000 1.143 478 R HN 0.763 nan 8.270 nan 0.000 0.452 479 E N 1.669 121.645 120.200 -0.373 0.000 2.272 479 E HA 0.282 5.114 4.350 0.804 0.000 0.269 479 E C -1.438 175.018 176.600 -0.240 0.000 0.877 479 E CA -0.590 55.671 56.400 -0.231 0.000 0.755 479 E CB 2.108 31.723 29.700 -0.142 0.000 1.192 479 E HN 0.506 nan 8.360 nan 0.000 0.422 480 S N 3.608 119.209 115.700 -0.165 0.000 2.457 480 S HA 0.493 5.445 4.470 0.804 0.000 0.289 480 S C -0.287 174.293 174.600 -0.034 0.000 1.163 480 S CA -0.458 57.668 58.200 -0.123 0.000 1.078 480 S CB 0.329 63.461 63.200 -0.114 0.000 0.987 480 S HN 0.365 nan 8.310 nan 0.000 0.482 481 I N 3.446 124.041 120.570 0.042 0.000 2.493 481 I HA 0.289 4.941 4.170 0.804 0.000 0.279 481 I C -0.398 175.870 176.117 0.252 0.000 1.045 481 I CA -0.608 60.778 61.300 0.144 0.000 1.106 481 I CB 1.017 39.157 38.000 0.233 0.000 1.216 481 I HN 0.535 nan 8.210 nan 0.000 0.459 482 N N 5.144 123.942 118.700 0.164 0.000 2.705 482 N HA -0.217 5.006 4.740 0.804 0.000 0.255 482 N C 1.055 176.716 175.510 0.252 0.000 1.008 482 N CA 1.328 54.489 53.050 0.185 0.000 0.742 482 N CB -0.654 37.947 38.487 0.190 0.000 0.906 482 N HN 1.191 nan 8.380 nan 0.000 0.541 483 G N -2.549 106.315 108.800 0.108 0.000 2.205 483 G HA2 -0.322 4.120 3.960 0.804 0.000 0.261 483 G HA3 -0.322 4.120 3.960 0.804 0.000 0.261 483 G C -0.104 174.717 174.900 -0.131 0.000 0.980 483 G CA 0.506 45.588 45.100 -0.030 0.000 0.632 483 G HN 0.395 nan 8.290 nan 0.000 0.533 484 W N 0.719 121.962 121.300 -0.095 0.000 2.449 484 W HA 0.669 5.812 4.660 0.804 0.000 0.331 484 W C 0.371 176.669 176.519 -0.369 0.000 1.119 484 W CA -0.304 56.913 57.345 -0.214 0.000 1.240 484 W CB 1.268 30.641 29.460 -0.145 0.000 1.251 484 W HN 0.013 nan 8.180 nan 0.000 0.576 485 T N 2.795 117.100 114.554 -0.415 0.000 2.749 485 T HA 0.253 5.086 4.350 0.804 0.000 0.287 485 T C -0.735 173.634 174.700 -0.551 0.000 0.970 485 T CA -0.613 61.112 62.100 -0.625 0.000 0.980 485 T CB 0.922 69.193 68.868 -0.995 0.000 0.924 485 T HN 0.315 nan 8.240 nan 0.000 0.456 486 Q N 2.814 122.336 119.800 -0.464 0.000 2.348 486 Q HA 0.351 5.174 4.340 0.804 0.000 0.265 486 Q C -1.393 174.319 176.000 -0.481 0.000 0.998 486 Q CA -0.718 54.857 55.803 -0.380 0.000 0.831 486 Q CB 1.043 29.631 28.738 -0.250 0.000 1.251 486 Q HN 0.665 nan 8.270 nan 0.000 0.456 487 W N 2.068 123.027 121.300 -0.568 0.000 2.449 487 W HA 0.412 5.552 4.660 0.801 0.000 0.331 487 W C -0.186 175.995 176.519 -0.563 0.000 1.119 487 W CA -0.495 56.412 57.345 -0.729 0.000 1.240 487 W CB 1.992 30.560 29.460 -1.487 0.000 1.251 487 W HN 0.385 nan 8.180 nan 0.000 0.576 488 T N 4.067 118.653 114.554 0.053 0.000 2.824 488 T HA 0.597 5.429 4.350 0.804 0.000 0.282 488 T C -1.236 173.582 174.700 0.196 0.000 0.993 488 T CA -0.561 61.605 62.100 0.110 0.000 0.967 488 T CB 1.450 70.367 68.868 0.082 0.000 0.960 488 T HN 0.264 nan 8.240 nan 0.000 0.441 498 T N 1.672 116.214 114.554 -0.021 0.000 2.812 498 T HA 0.591 5.423 4.350 0.804 0.000 0.282 498 T C 0.258 174.939 174.700 -0.032 0.000 0.990 498 T CA -0.427 61.656 62.100 -0.029 0.000 0.960 498 T CB 0.594 69.444 68.868 -0.032 0.000 0.948 498 T HN 0.320 nan 8.240 nan 0.000 0.438 499 I N 3.487 124.035 120.570 -0.036 0.000 2.471 499 I HA 0.155 4.807 4.170 0.804 0.000 0.286 499 I C 1.672 177.748 176.117 -0.067 0.000 1.079 499 I CA -0.042 61.238 61.300 -0.035 0.000 1.398 499 I CB 1.158 39.140 38.000 -0.030 0.000 1.403 499 I HN 0.784 nan 8.210 nan 0.000 0.530 500 T N 0.970 115.470 114.554 -0.090 0.000 3.044 500 T HA 0.386 5.218 4.350 0.804 0.000 0.260 500 T C 0.464 175.126 174.700 -0.063 0.000 1.019 500 T CA -0.163 61.886 62.100 -0.085 0.000 0.921 500 T CB 0.403 69.219 68.868 -0.086 0.000 1.053 500 T HN 0.714 nan 8.240 nan 0.000 0.533 501 G N 0.483 109.230 108.800 -0.089 0.000 2.677 501 G HA2 0.643 5.085 3.960 0.804 0.000 0.291 501 G HA3 0.643 5.085 3.960 0.804 0.000 0.291 501 G C -2.218 172.772 174.900 0.151 0.000 1.435 501 G CA -0.928 44.211 45.100 0.065 0.000 0.826 501 G HN 0.325 nan 8.290 nan 0.000 0.491 502 L N 0.134 121.573 121.223 0.360 0.000 2.455 502 L HA 0.835 5.657 4.340 0.804 0.000 0.264 502 L C 0.066 177.041 176.870 0.176 0.000 0.968 502 L CA -0.788 54.178 54.840 0.210 0.000 0.827 502 L CB 2.190 44.298 42.059 0.083 0.000 1.317 502 L HN 0.959 nan 8.230 nan 0.000 0.407 503 A N 1.864 124.618 122.820 -0.111 0.000 2.583 503 A HA 0.931 5.734 4.320 0.804 0.000 0.289 503 A C -1.969 175.270 177.584 -0.575 0.000 1.151 503 A CA -0.388 51.481 52.037 -0.281 0.000 0.695 503 A CB 1.657 20.504 19.000 -0.255 0.000 1.290 503 A HN 0.400 nan 8.150 nan 0.000 0.419 504 F N -0.999 118.859 119.950 -0.153 0.000 2.603 504 F HA 0.836 5.843 4.527 0.799 0.000 0.317 504 F C 0.486 176.149 175.800 -0.228 0.000 1.066 504 F CA -0.091 57.760 58.000 -0.248 0.000 0.941 504 F CB 2.472 41.203 39.000 -0.448 0.000 1.291 504 F HN 0.956 nan 8.300 nan 0.000 0.472 505 A N 0.833 123.701 122.820 0.080 0.000 2.556 505 A HA 1.010 5.813 4.320 0.804 0.000 0.294 505 A C -1.678 175.941 177.584 0.059 0.000 1.091 505 A CA -0.332 51.688 52.037 -0.030 0.000 0.704 505 A CB 1.699 20.427 19.000 -0.454 0.000 1.300 505 A HN 1.389 nan 8.150 nan 0.000 0.406 506 A N 0.230 123.096 122.820 0.077 0.000 2.609 506 A HA 0.798 5.600 4.320 0.804 0.000 0.291 506 A C -1.039 176.568 177.584 0.038 0.000 1.096 506 A CA -0.249 51.813 52.037 0.041 0.000 0.684 506 A CB 1.333 20.333 19.000 0.000 0.000 1.282 506 A HN 1.008 nan 8.150 nan 0.000 0.412 507 E N 0.507 120.722 120.200 0.025 0.000 2.222 507 E HA 0.551 5.383 4.350 0.804 0.000 0.267 507 E C 0.224 176.764 176.600 -0.101 0.000 0.884 507 E CA -0.594 55.737 56.400 -0.114 0.000 0.764 507 E CB 1.699 31.311 29.700 -0.147 0.000 1.169 507 E HN 1.049 nan 8.360 nan 0.000 0.413 508 G N 2.899 111.599 108.800 -0.167 0.000 2.441 508 G HA2 0.185 4.627 3.960 0.804 0.000 0.243 508 G HA3 0.185 4.627 3.960 0.804 0.000 0.243 508 G C -0.243 174.590 174.900 -0.113 0.000 1.281 508 G CA -0.346 44.669 45.100 -0.142 0.000 0.854 508 G HN 0.683 nan 8.290 nan 0.000 0.560 513 L N 1.249 122.249 121.223 -0.371 0.000 2.401 513 L HA 0.951 5.774 4.340 0.804 0.000 0.266 513 L C -0.201 176.336 176.870 -0.555 0.000 0.991 513 L CA -1.175 53.334 54.840 -0.552 0.000 0.818 513 L CB 2.003 43.504 42.059 -0.930 0.000 1.321 513 L HN 0.303 nan 8.230 nan 0.000 0.413 514 A N 2.103 124.680 122.820 -0.405 0.000 2.449 514 A HA 0.812 5.615 4.320 0.804 0.000 0.302 514 A C -1.046 176.377 177.584 -0.268 0.000 1.048 514 A CA -0.420 51.413 52.037 -0.341 0.000 0.708 514 A CB 1.645 20.418 19.000 -0.377 0.000 1.274 514 A HN 0.665 nan 8.150 nan 0.000 0.410 515 E N 2.131 122.104 120.200 -0.378 0.000 2.542 515 E HA 0.465 5.297 4.350 0.804 0.000 0.298 515 E C -1.913 174.360 176.600 -0.546 0.000 0.980 515 E CA -0.169 56.032 56.400 -0.333 0.000 0.792 515 E CB 0.657 30.271 29.700 -0.144 0.000 1.463 515 E HN 0.497 nan 8.360 nan 0.000 0.389 516 F N 2.321 122.129 119.950 -0.237 0.000 2.422 516 F HA 0.457 5.466 4.527 0.803 0.000 0.333 516 F C -0.430 175.112 175.800 -0.430 0.000 1.095 516 F CA -0.406 57.498 58.000 -0.160 0.000 1.038 516 F CB 0.976 39.974 39.000 -0.005 0.000 1.156 516 F HN 0.316 nan 8.300 nan 0.000 0.483 517 Y N 0.455 120.878 120.300 0.206 0.000 2.332 517 Y HA 0.374 5.404 4.550 0.800 0.000 0.326 517 Y C 0.120 176.200 175.900 0.300 0.000 0.978 517 Y CA -0.934 57.250 58.100 0.140 0.000 1.205 517 Y CB 2.069 40.535 38.460 0.011 0.000 1.131 517 Y HN 0.492 nan 8.280 nan 0.000 0.462 518 T N 1.490 116.229 114.554 0.309 0.000 2.758 518 T HA 0.515 5.348 4.350 0.804 0.000 0.285 518 T C 0.758 175.710 174.700 0.420 0.000 0.981 518 T CA -0.196 62.095 62.100 0.317 0.000 0.965 518 T CB 0.636 69.458 68.868 -0.075 0.000 0.927 518 T HN 0.888 nan 8.240 nan 0.000 0.448 519 G N 3.321 112.439 108.800 0.530 0.000 3.192 519 G HA2 0.378 4.821 3.960 0.804 0.000 0.239 519 G HA3 0.378 4.821 3.960 0.804 0.000 0.239 519 G C 0.053 175.147 174.900 0.323 0.000 1.084 519 G CA -0.160 45.177 45.100 0.396 0.000 0.784 519 G HN 0.815 nan 8.290 nan 0.000 0.540 520 Q N -0.848 119.115 119.800 0.272 0.000 2.479 520 Q HA 0.678 5.501 4.340 0.804 0.000 0.276 520 Q C -2.269 173.830 176.000 0.166 0.000 0.989 520 Q CA -0.916 54.853 55.803 -0.057 0.000 0.864 520 Q CB 1.964 30.579 28.738 -0.205 0.000 1.444 520 Q HN 0.158 nan 8.270 nan 0.000 0.388 521 L N 1.727 122.907 121.223 -0.072 0.000 2.526 521 L HA 1.014 5.836 4.340 0.804 0.000 0.263 521 L C -2.045 174.715 176.870 -0.183 0.000 0.943 521 L CA 0.112 55.013 54.840 0.102 0.000 0.859 521 L CB 2.205 44.426 42.059 0.270 0.000 1.313 521 L HN 1.069 nan 8.230 nan 0.000 0.406 522 A N 3.771 126.564 122.820 -0.044 0.000 2.574 522 A HA 0.847 5.650 4.320 0.804 0.000 0.297 522 A C -1.909 175.681 177.584 0.009 0.000 1.062 522 A CA -0.550 51.416 52.037 -0.117 0.000 0.686 522 A CB 2.094 21.003 19.000 -0.151 0.000 1.285 522 A HN 0.620 nan 8.150 nan 0.000 0.403 523 V N 1.478 121.402 119.914 0.016 0.000 2.376 523 V HA 0.822 5.425 4.120 0.804 0.000 0.287 523 V C 0.526 176.634 176.094 0.022 0.000 1.015 523 V CA 0.569 62.888 62.300 0.032 0.000 0.834 523 V CB 0.952 32.801 31.823 0.043 0.000 1.001 523 V HN 1.755 nan 8.190 nan 0.000 0.428 528 E N 0.919 121.118 120.200 -0.001 0.000 2.392 528 E HA 0.174 5.006 4.350 0.804 0.000 0.264 528 E C -0.336 176.251 176.600 -0.022 0.000 1.024 528 E CA -0.184 56.210 56.400 -0.010 0.000 0.903 528 E CB 0.562 30.257 29.700 -0.009 0.000 0.963 528 E HN 0.470 nan 8.360 nan 0.000 0.432 529 K N 5.457 125.840 120.400 -0.029 0.000 2.276 529 K HA 0.264 5.066 4.320 0.804 0.000 0.285 529 K C -2.371 174.196 176.600 -0.055 0.000 1.062 529 K CA -1.796 54.463 56.287 -0.047 0.000 0.918 529 K CB 0.711 33.184 32.500 -0.044 0.000 1.055 529 K HN 0.218 nan 8.250 nan 0.000 0.477 530 P HA -0.001 nan 4.420 nan 0.000 0.269 530 P C -1.095 176.162 177.300 -0.072 0.000 1.215 530 P CA -0.298 62.751 63.100 -0.086 0.000 0.780 530 P CB 0.700 32.312 31.700 -0.146 0.000 0.898 531 A N 2.023 124.813 122.820 -0.050 0.000 2.425 531 A HA 0.477 5.279 4.320 0.804 0.000 0.249 531 A C 0.512 178.070 177.584 -0.043 0.000 1.084 531 A CA -0.093 51.923 52.037 -0.035 0.000 0.781 531 A CB -0.464 18.527 19.000 -0.015 0.000 1.019 531 A HN 0.642 nan 8.150 nan 0.000 0.490 532 A N 3.762 126.559 122.820 -0.038 0.000 2.567 532 A HA 0.450 5.252 4.320 0.804 0.000 0.240 532 A C -2.195 175.376 177.584 -0.021 0.000 1.053 532 A CA -0.624 51.390 52.037 -0.038 0.000 0.755 532 A CB -0.790 18.195 19.000 -0.025 0.000 0.978 532 A HN 0.618 nan 8.150 nan 0.000 0.507 533 P HA 0.091 nan 4.420 nan 0.000 0.271 533 P C -0.624 176.687 177.300 0.019 0.000 1.216 533 P CA -0.293 62.803 63.100 -0.007 0.000 0.771 533 P CB 0.414 32.051 31.700 -0.105 0.000 0.864 534 N N 2.184 120.918 118.700 0.057 0.000 2.399 534 N HA 0.151 5.373 4.740 0.804 0.000 0.259 534 N C -0.709 174.864 175.510 0.106 0.000 1.160 534 N CA 0.076 53.164 53.050 0.063 0.000 0.946 534 N CB 0.072 38.592 38.487 0.055 0.000 1.156 534 N HN 0.094 nan 8.380 nan 0.000 0.489 535 V N 2.903 122.871 119.914 0.091 0.000 2.417 535 V HA 0.366 4.969 4.120 0.804 0.000 0.291 535 V C 0.027 176.171 176.094 0.082 0.000 1.024 535 V CA -0.891 61.491 62.300 0.136 0.000 0.861 535 V CB 1.484 33.385 31.823 0.130 0.000 0.985 535 V HN 0.511 nan 8.190 nan 0.000 0.436 536 N N 1.637 120.380 118.700 0.071 0.000 2.342 536 N HA 0.579 5.801 4.740 0.804 0.000 0.293 536 N C -0.621 174.907 175.510 0.029 0.000 1.026 536 N CA -0.639 52.431 53.050 0.034 0.000 0.857 536 N CB 2.385 40.879 38.487 0.012 0.000 1.256 536 N HN 0.671 nan 8.380 nan 0.000 0.484 537 V N 0.783 120.712 119.914 0.027 0.000 2.455 537 V HA 0.562 5.164 4.120 0.804 0.000 0.273 537 V C -0.080 176.031 176.094 0.028 0.000 1.045 537 V CA -0.202 62.114 62.300 0.028 0.000 0.976 537 V CB 0.310 32.147 31.823 0.022 0.000 0.993 537 V HN 0.548 nan 8.190 nan 0.000 0.475 538 R N 3.206 123.730 120.500 0.040 0.000 2.795 538 R HA 0.459 5.281 4.340 0.804 0.000 0.275 538 R C -0.705 175.652 176.300 0.095 0.000 0.981 538 R CA -0.859 55.272 56.100 0.052 0.000 0.917 538 R CB 2.201 32.523 30.300 0.035 0.000 1.202 538 R HN 0.931 nan 8.270 nan 0.000 0.469 539 Q N 1.148 121.002 119.800 0.090 0.000 2.332 539 Q HA 0.017 4.839 4.340 0.804 0.000 0.263 539 Q C -1.269 174.851 176.000 0.201 0.000 0.979 539 Q CA 0.143 56.015 55.803 0.116 0.000 0.885 539 Q CB 0.490 29.265 28.738 0.062 0.000 1.218 539 Q HN 0.485 nan 8.270 nan 0.000 0.405 540 Y N 4.815 125.187 120.300 0.119 0.000 2.504 540 Y HA 0.199 5.232 4.550 0.806 0.000 0.339 540 Y C -0.105 175.838 175.900 0.071 0.000 0.974 540 Y CA -0.782 57.402 58.100 0.140 0.000 1.232 540 Y CB 0.604 39.192 38.460 0.214 0.000 1.108 540 Y HN 0.824 nan 8.280 nan 0.000 0.509 541 D N 5.792 125.998 120.400 -0.324 0.000 2.116 541 D HA -0.171 4.952 4.640 0.804 0.000 0.193 541 D C -0.519 175.564 176.300 -0.363 0.000 0.998 541 D CA 1.904 55.741 54.000 -0.271 0.000 0.836 541 D CB -1.145 39.546 40.800 -0.181 0.000 0.951 541 D HN 0.522 nan 8.370 nan 0.000 0.449 542 P HA -0.025 nan 4.420 nan 0.000 0.222 542 P C -0.286 176.860 177.300 -0.257 0.000 1.147 542 P CA 1.070 63.909 63.100 -0.435 0.000 0.790 542 P CB 0.205 31.594 31.700 -0.518 0.000 0.780 543 D N -1.638 118.635 120.400 -0.212 0.000 2.375 543 D HA 0.177 5.300 4.640 0.804 0.000 0.259 543 D C -2.105 174.249 176.300 0.090 0.000 1.235 543 D CA -2.338 51.689 54.000 0.045 0.000 0.924 543 D CB 0.814 41.755 40.800 0.235 0.000 1.143 543 D HN -0.123 nan 8.370 nan 0.000 0.529 544 P HA -0.012 nan 4.420 nan 0.000 0.226 544 P C 0.892 178.225 177.300 0.054 0.000 1.153 544 P CA 0.531 63.653 63.100 0.037 0.000 0.777 544 P CB 0.420 32.127 31.700 0.011 0.000 0.794 545 S N -1.209 114.530 115.700 0.065 0.000 2.496 545 S HA 0.159 5.112 4.470 0.804 0.000 0.224 545 S C 1.302 175.940 174.600 0.064 0.000 0.996 545 S CA 0.551 58.784 58.200 0.056 0.000 0.927 545 S CB -0.354 62.875 63.200 0.048 0.000 0.774 545 S HN 0.248 nan 8.310 nan 0.000 0.524 546 G N 1.118 109.996 108.800 0.131 0.000 2.705 546 G HA2 0.753 5.196 3.960 0.804 0.000 0.299 546 G HA3 0.753 5.196 3.960 0.804 0.000 0.299 546 G C -0.541 174.429 174.900 0.117 0.000 1.315 546 G CA -0.912 44.251 45.100 0.105 0.000 1.045 546 G HN 0.360 nan 8.290 nan 0.000 0.517 547 I N -3.235 117.356 120.570 0.034 0.000 3.174 547 I HA 0.736 5.388 4.170 0.804 0.000 0.313 547 I C -1.028 175.169 176.117 0.134 0.000 1.155 547 I CA -1.332 60.024 61.300 0.094 0.000 0.977 547 I CB 2.453 40.468 38.000 0.025 0.000 1.248 547 I HN 0.635 nan 8.210 nan 0.000 0.453 548 Q N 2.291 122.197 119.800 0.177 0.000 2.394 548 Q HA 0.632 5.455 4.340 0.804 0.000 0.273 548 Q C -1.976 174.061 176.000 0.062 0.000 1.089 548 Q CA -1.004 54.901 55.803 0.170 0.000 0.812 548 Q CB 2.751 31.689 28.738 0.333 0.000 1.353 548 Q HN 0.544 nan 8.270 nan 0.000 0.438 549 L N 2.507 123.741 121.223 0.019 0.000 2.265 549 L HA 0.470 5.292 4.340 0.804 0.000 0.289 549 L C -0.795 175.920 176.870 -0.258 0.000 1.033 549 L CA -0.597 54.251 54.840 0.013 0.000 0.814 549 L CB 1.612 43.795 42.059 0.206 0.000 1.203 549 L HN 0.602 nan 8.230 nan 0.000 0.423 550 V N 3.567 123.353 119.914 -0.214 0.000 2.513 550 V HA 0.635 5.237 4.120 0.804 0.000 0.299 550 V C -0.640 175.328 176.094 -0.210 0.000 1.035 550 V CA -0.659 61.379 62.300 -0.436 0.000 0.889 550 V CB 1.501 33.152 31.823 -0.287 0.000 0.988 550 V HN 0.859 nan 8.190 nan 0.000 0.440 551 W N 1.567 122.744 121.300 -0.206 0.000 3.032 551 W HA 0.757 5.896 4.660 0.798 0.000 0.341 551 W C -0.719 175.686 176.519 -0.190 0.000 1.202 551 W CA -1.190 56.034 57.345 -0.201 0.000 1.132 551 W CB 0.750 30.038 29.460 -0.287 0.000 1.465 551 W HN 0.439 nan 8.180 nan 0.000 0.576 552 E N 1.841 122.144 120.200 0.172 0.000 2.194 552 E HA 0.088 4.921 4.350 0.804 0.000 0.284 552 E C -0.360 176.365 176.600 0.208 0.000 1.035 552 E CA -0.634 55.830 56.400 0.106 0.000 0.836 552 E CB 1.102 30.849 29.700 0.078 0.000 1.070 552 E HN 0.228 nan 8.360 nan 0.000 0.401 553 K N 4.165 124.653 120.400 0.146 0.000 2.315 553 K HA 0.023 4.825 4.320 0.804 0.000 0.291 553 K C -0.243 176.466 176.600 0.182 0.000 1.074 553 K CA 0.021 56.440 56.287 0.221 0.000 0.936 553 K CB 0.348 32.873 32.500 0.042 0.000 1.049 553 K HN 0.509 nan 8.250 nan 0.000 0.471 554 Q N 1.127 121.058 119.800 0.219 0.000 2.368 554 Q HA 0.061 4.884 4.340 0.804 0.000 0.237 554 Q C 0.013 176.061 176.000 0.079 0.000 0.987 554 Q CA -0.103 55.769 55.803 0.115 0.000 0.896 554 Q CB 1.202 29.988 28.738 0.080 0.000 1.241 554 Q HN 0.469 nan 8.270 nan 0.000 0.485 555 S N 1.141 116.872 115.700 0.051 0.000 2.585 555 S HA 0.026 4.978 4.470 0.804 0.000 0.273 555 S C 0.082 174.694 174.600 0.019 0.000 1.339 555 S CA -0.259 57.965 58.200 0.040 0.000 1.028 555 S CB 0.124 63.346 63.200 0.035 0.000 0.906 555 S HN 0.750 nan 8.310 nan 0.000 0.528 556 N N 0.288 119.002 118.700 0.024 0.000 2.708 556 N HA -0.143 5.079 4.740 0.804 0.000 0.249 556 N C -1.033 174.466 175.510 -0.018 0.000 1.097 556 N CA 0.698 53.758 53.050 0.017 0.000 0.710 556 N CB -1.565 36.929 38.487 0.013 0.000 1.032 556 N HN 0.276 nan 8.380 nan 0.000 0.551 557 V N 0.772 120.662 119.914 -0.040 0.000 2.398 557 V HA 0.146 4.748 4.120 0.804 0.000 0.286 557 V C 1.489 177.526 176.094 -0.094 0.000 1.026 557 V CA -0.666 61.544 62.300 -0.151 0.000 0.868 557 V CB 1.935 33.584 31.823 -0.290 0.000 0.982 557 V HN 0.343 nan 8.190 nan 0.000 0.443 558 H N 5.192 124.147 119.070 -0.191 0.000 2.317 558 H HA 0.080 5.110 4.556 0.791 0.000 0.304 558 H C 0.430 175.760 175.328 0.003 0.000 1.067 558 H CA 1.809 57.831 56.048 -0.045 0.000 1.352 558 H CB 0.557 30.339 29.762 0.033 0.000 1.398 558 H HN 0.838 nan 8.280 nan 0.000 0.510 559 H N -3.207 115.733 119.070 -0.216 0.000 2.948 559 H HA 0.207 5.251 4.556 0.814 0.000 0.315 559 H C -1.762 173.308 175.328 -0.430 0.000 1.360 559 H CA -0.900 55.038 56.048 -0.184 0.000 1.125 559 H CB 0.471 30.216 29.762 -0.028 0.000 1.844 559 H HN 0.049 nan 8.280 nan 0.000 0.529 560 Y N 0.036 120.233 120.300 -0.171 0.000 2.468 560 Y HA 0.612 5.642 4.550 0.801 0.000 0.342 560 Y C 0.365 176.124 175.900 -0.235 0.000 1.021 560 Y CA -0.937 56.937 58.100 -0.376 0.000 1.079 560 Y CB 2.152 40.220 38.460 -0.654 0.000 1.226 560 Y HN 0.297 nan 8.280 nan 0.000 0.460 561 R N 1.323 121.724 120.500 -0.166 0.000 2.534 561 R HA 0.655 5.477 4.340 0.804 0.000 0.301 561 R C -1.712 174.462 176.300 -0.211 0.000 0.961 561 R CA -0.959 55.009 56.100 -0.219 0.000 0.871 561 R CB 2.163 32.320 30.300 -0.239 0.000 1.170 561 R HN 0.392 nan 8.270 nan 0.000 0.446 562 V N 4.552 124.297 119.914 -0.280 0.000 2.328 562 V HA 0.315 4.917 4.120 0.804 0.000 0.278 562 V C -0.873 175.044 176.094 -0.295 0.000 1.021 562 V CA -0.671 61.526 62.300 -0.172 0.000 0.838 562 V CB 0.604 32.382 31.823 -0.074 0.000 0.999 562 V HN 0.598 nan 8.190 nan 0.000 0.447 563 Y N 3.376 123.655 120.300 -0.035 0.000 2.387 563 Y HA 0.551 5.584 4.550 0.805 0.000 0.330 563 Y C 0.364 176.280 175.900 0.028 0.000 1.133 563 Y CA -0.455 57.636 58.100 -0.015 0.000 1.152 563 Y CB 1.621 40.078 38.460 -0.005 0.000 1.215 563 Y HN 0.460 nan 8.280 nan 0.000 0.466 564 K N 2.374 122.876 120.400 0.171 0.000 2.203 564 K HA 0.321 5.124 4.320 0.804 0.000 0.251 564 K C -0.556 176.127 176.600 0.139 0.000 0.944 564 K CA -0.631 55.727 56.287 0.117 0.000 0.829 564 K CB 1.144 33.670 32.500 0.044 0.000 1.125 564 K HN 0.700 nan 8.250 nan 0.000 0.430 570 K N 0.652 121.043 120.400 -0.016 0.000 2.401 570 K HA 0.497 5.299 4.320 0.804 0.000 0.278 570 K C -0.691 175.989 176.600 0.134 0.000 1.018 570 K CA 0.102 56.406 56.287 0.028 0.000 0.981 570 K CB 1.926 34.346 32.500 -0.134 0.000 0.933 570 K HN 0.463 nan 8.250 nan 0.000 0.477 571 E N 3.450 123.766 120.200 0.193 0.000 2.199 571 E HA 0.177 5.009 4.350 0.804 0.000 0.265 571 E C -1.396 175.243 176.600 0.065 0.000 0.882 571 E CA -1.150 55.334 56.400 0.140 0.000 0.759 571 E CB 1.194 30.929 29.700 0.058 0.000 1.148 571 E HN 0.575 nan 8.360 nan 0.000 0.412 572 L N 6.578 127.720 121.223 -0.134 0.000 2.361 572 L HA 0.224 5.046 4.340 0.804 0.000 0.278 572 L C 0.302 176.964 176.870 -0.347 0.000 1.113 572 L CA 0.642 55.143 54.840 -0.565 0.000 0.849 572 L CB 0.610 42.234 42.059 -0.726 0.000 1.155 572 L HN 0.736 nan 8.230 nan 0.000 0.452 573 I N 1.503 121.884 120.570 -0.315 0.000 4.227 573 I HA 0.635 5.287 4.170 0.804 0.000 0.334 573 I C 0.616 176.624 176.117 -0.183 0.000 1.341 573 I CA 0.060 61.250 61.300 -0.184 0.000 1.123 573 I CB 0.326 38.264 38.000 -0.104 0.000 1.097 573 I HN 0.606 nan 8.210 nan 0.000 0.399 574 G N 1.047 109.689 108.800 -0.262 0.000 2.667 574 G HA2 0.549 4.991 3.960 0.804 0.000 0.294 574 G HA3 0.549 4.991 3.960 0.804 0.000 0.294 574 G C -1.086 173.673 174.900 -0.235 0.000 1.467 574 G CA -0.069 44.921 45.100 -0.184 0.000 0.852 574 G HN 0.172 nan 8.290 nan 0.000 0.521 575 T N -2.034 112.430 114.554 -0.150 0.000 2.900 575 T HA 0.828 5.660 4.350 0.804 0.000 0.295 575 T C -0.617 174.142 174.700 0.099 0.000 1.044 575 T CA -0.894 61.157 62.100 -0.080 0.000 0.995 575 T CB 2.093 70.833 68.868 -0.213 0.000 1.072 575 T HN 1.383 nan 8.240 nan 0.000 0.473 576 S N -0.137 115.696 115.700 0.222 0.000 2.566 576 S HA 0.637 5.590 4.470 0.804 0.000 0.273 576 S C 0.140 174.965 174.600 0.376 0.000 1.157 576 S CA -0.194 58.191 58.200 0.309 0.000 0.938 576 S CB 1.199 64.665 63.200 0.443 0.000 1.087 576 S HN 1.308 nan 8.310 nan 0.000 0.474 577 A N 3.318 126.298 122.820 0.267 0.000 2.423 577 A HA 0.644 5.446 4.320 0.804 0.000 0.246 577 A C 0.949 178.666 177.584 0.222 0.000 1.278 577 A CA 0.453 52.627 52.037 0.229 0.000 0.903 577 A CB -0.478 18.578 19.000 0.093 0.000 0.997 577 A HN 0.940 nan 8.150 nan 0.000 0.510 578 G N -0.180 108.738 108.800 0.197 0.000 2.940 578 G HA2 0.394 4.837 3.960 0.804 0.000 0.164 578 G HA3 0.394 4.837 3.960 0.804 0.000 0.164 578 G C 0.243 175.010 174.900 -0.220 0.000 1.326 578 G CA 0.557 45.628 45.100 -0.047 0.000 1.020 578 G HN 0.216 nan 8.290 nan 0.000 0.586 579 D N -1.442 118.607 120.400 -0.586 0.000 2.398 579 D HA 0.107 5.229 4.640 0.804 0.000 0.210 579 D C 0.833 176.127 176.300 -1.676 0.000 1.094 579 D CA -0.172 53.306 54.000 -0.869 0.000 0.839 579 D CB 0.313 40.734 40.800 -0.632 0.000 0.963 579 D HN 0.604 nan 8.370 nan 0.000 0.506 580 R N -1.173 118.537 120.500 -1.317 0.000 2.747 580 R HA 0.711 5.534 4.340 0.804 0.000 0.272 580 R C -1.780 174.162 176.300 -0.598 0.000 1.032 580 R CA -1.047 54.247 56.100 -1.344 0.000 0.896 580 R CB 1.053 30.808 30.300 -0.910 0.000 1.253 580 R HN 0.029 nan 8.270 nan 0.000 0.461 581 I N 0.807 121.225 120.570 -0.253 0.000 2.775 581 I HA 0.374 5.026 4.170 0.804 0.000 0.295 581 I C -1.765 174.508 176.117 0.260 0.000 1.287 581 I CA -1.102 60.296 61.300 0.164 0.000 1.029 581 I CB 2.536 40.671 38.000 0.225 0.000 1.282 581 I HN 0.770 nan 8.210 nan 0.000 0.426 582 Y N 8.134 128.515 120.300 0.134 0.000 2.308 582 Y HA 0.666 5.697 4.550 0.802 0.000 0.329 582 Y C -1.225 174.651 175.900 -0.040 0.000 1.111 582 Y CA -0.483 57.574 58.100 -0.071 0.000 1.179 582 Y CB 0.879 39.033 38.460 -0.511 0.000 1.201 582 Y HN 0.254 nan 8.280 nan 0.000 0.483 583 I N 6.302 126.411 120.570 -0.769 0.000 2.498 583 I HA 0.211 4.863 4.170 0.804 0.000 0.290 583 I C -0.665 174.923 176.117 -0.883 0.000 1.032 583 I CA -0.984 59.917 61.300 -0.664 0.000 1.073 583 I CB 1.758 39.602 38.000 -0.261 0.000 1.251 583 I HN 0.751 nan 8.210 nan 0.000 0.426 584 E N 4.018 123.821 120.200 -0.662 0.000 2.283 584 E HA 0.549 5.381 4.350 0.804 0.000 0.278 584 E C 0.315 176.827 176.600 -0.148 0.000 1.027 584 E CA -0.640 55.563 56.400 -0.329 0.000 0.843 584 E CB 1.220 30.870 29.700 -0.083 0.000 1.062 584 E HN 0.833 nan 8.360 nan 0.000 0.401 585 G N 2.932 111.686 108.800 -0.076 0.000 2.684 585 G HA2 -0.183 4.259 3.960 0.804 0.000 0.229 585 G HA3 -0.183 4.259 3.960 0.804 0.000 0.229 585 G C -0.626 174.250 174.900 -0.040 0.000 0.927 585 G CA 0.161 45.240 45.100 -0.035 0.000 1.147 585 G HN 0.444 nan 8.290 nan 0.000 0.402 596 R N 2.873 123.359 120.500 -0.023 0.000 2.246 596 R HA 0.762 5.584 4.340 0.804 0.000 0.332 596 R C -1.189 175.059 176.300 -0.086 0.000 0.974 596 R CA -0.440 55.623 56.100 -0.062 0.000 0.837 596 R CB 1.278 31.562 30.300 -0.026 0.000 1.145 596 R HN 0.514 nan 8.270 nan 0.000 0.467 597 L N 3.014 124.136 121.223 -0.169 0.000 2.330 597 L HA 0.522 5.344 4.340 0.804 0.000 0.271 597 L C -0.045 176.624 176.870 -0.335 0.000 1.013 597 L CA -0.922 53.837 54.840 -0.134 0.000 0.816 597 L CB 1.677 43.701 42.059 -0.058 0.000 1.287 597 L HN 0.476 nan 8.230 nan 0.000 0.435 598 H N 3.056 122.153 119.070 0.045 0.000 2.744 598 H HA 0.454 5.492 4.556 0.803 0.000 0.339 598 H C -1.169 174.190 175.328 0.052 0.000 1.004 598 H CA -0.525 55.545 56.048 0.037 0.000 1.257 598 H CB 2.446 32.223 29.762 0.025 0.000 1.552 598 H HN 0.306 nan 8.280 nan 0.000 0.522 599 I N 3.472 124.090 120.570 0.081 0.000 2.389 599 I HA 0.126 4.778 4.170 0.804 0.000 0.288 599 I C 0.147 176.238 176.117 -0.044 0.000 0.999 599 I CA -0.372 60.918 61.300 -0.017 0.000 1.129 599 I CB 1.623 39.557 38.000 -0.109 0.000 1.288 599 I HN 0.531 nan 8.210 nan 0.000 0.444 600 E N 5.463 125.622 120.200 -0.069 0.000 2.227 600 E HA 0.877 5.710 4.350 0.804 0.000 0.268 600 E C -1.215 175.218 176.600 -0.278 0.000 0.907 600 E CA -1.338 54.981 56.400 -0.135 0.000 0.786 600 E CB 2.141 31.776 29.700 -0.107 0.000 1.191 600 E HN 0.518 nan 8.360 nan 0.000 0.411 601 A N 2.977 125.582 122.820 -0.358 0.000 2.292 601 A HA 0.516 5.318 4.320 0.804 0.000 0.319 601 A C -0.963 176.281 177.584 -0.566 0.000 1.206 601 A CA -0.715 50.919 52.037 -0.672 0.000 0.835 601 A CB 0.342 18.974 19.000 -0.613 0.000 1.164 601 A HN 0.471 nan 8.150 nan 0.000 0.505 602 L N 2.340 123.121 121.223 -0.736 0.000 2.307 602 L HA 0.437 5.259 4.340 0.804 0.000 0.284 602 L C 1.070 177.656 176.870 -0.474 0.000 1.023 602 L CA 0.217 54.679 54.840 -0.630 0.000 0.810 602 L CB 1.794 43.286 42.059 -0.945 0.000 1.231 602 L HN 0.853 nan 8.230 nan 0.000 0.423 603 S N 1.207 116.747 115.700 -0.268 0.000 2.626 603 S HA 0.195 5.147 4.470 0.804 0.000 0.257 603 S C 0.937 175.538 174.600 0.003 0.000 1.288 603 S CA -0.532 57.598 58.200 -0.117 0.000 0.980 603 S CB 0.588 63.755 63.200 -0.056 0.000 0.975 603 S HN 0.599 nan 8.310 nan 0.000 0.577 604 E N 0.721 120.974 120.200 0.087 0.000 2.209 604 E HA -0.088 4.744 4.350 0.804 0.000 0.196 604 E C 1.768 178.496 176.600 0.212 0.000 0.993 604 E CA 1.510 58.020 56.400 0.182 0.000 0.819 604 E CB -0.844 28.937 29.700 0.134 0.000 0.745 604 E HN 0.798 nan 8.360 nan 0.000 0.477 605 T N -0.176 114.474 114.554 0.161 0.000 3.113 605 T HA 0.010 4.842 4.350 0.804 0.000 0.256 605 T C 0.047 174.939 174.700 0.320 0.000 1.131 605 T CA -0.070 62.127 62.100 0.160 0.000 1.074 605 T CB -0.075 68.842 68.868 0.083 0.000 0.944 605 T HN 0.065 nan 8.240 nan 0.000 0.516 606 F N 0.156 120.088 119.950 -0.030 0.000 2.893 606 F HA -0.170 4.833 4.527 0.794 0.000 0.287 606 F C 0.143 175.907 175.800 -0.061 0.000 0.766 606 F CA -0.584 57.383 58.000 -0.055 0.000 1.362 606 F CB -2.306 36.688 39.000 -0.009 0.000 1.518 606 F HN -0.046 nan 8.300 nan 0.000 0.417 607 V N 2.167 122.106 119.914 0.043 0.000 2.455 607 V HA 0.273 4.875 4.120 0.804 0.000 0.273 607 V C -1.668 174.361 176.094 -0.109 0.000 1.045 607 V CA -1.231 61.058 62.300 -0.018 0.000 0.976 607 V CB 0.876 32.691 31.823 -0.013 0.000 0.993 607 V HN -0.104 nan 8.190 nan 0.000 0.475 608 P HA 0.266 nan 4.420 nan 0.000 0.284 608 P C -0.155 177.061 177.300 -0.140 0.000 1.253 608 P CA -0.320 62.680 63.100 -0.167 0.000 0.800 608 P CB 0.920 32.532 31.700 -0.147 0.000 0.961 609 S N 1.416 117.019 115.700 -0.162 0.000 2.617 609 S HA 0.189 5.141 4.470 0.804 0.000 0.259 609 S C 0.067 174.607 174.600 -0.101 0.000 1.301 609 S CA -0.556 57.570 58.200 -0.124 0.000 0.984 609 S CB -0.017 63.102 63.200 -0.136 0.000 0.954 609 S HN 0.314 nan 8.310 nan 0.000 0.572 610 D N 1.302 121.657 120.400 -0.075 0.000 2.414 610 D HA 0.391 5.513 4.640 0.804 0.000 0.242 610 D C 0.333 176.604 176.300 -0.049 0.000 1.129 610 D CA 0.441 54.405 54.000 -0.059 0.000 0.885 610 D CB 0.811 41.586 40.800 -0.041 0.000 1.198 610 D HN 0.815 nan 8.370 nan 0.000 0.437 611 A N 3.122 125.923 122.820 -0.031 0.000 2.440 611 A HA 0.189 4.991 4.320 0.804 0.000 0.251 611 A C 0.618 178.230 177.584 0.047 0.000 1.089 611 A CA -0.239 51.810 52.037 0.021 0.000 0.779 611 A CB 0.314 19.361 19.000 0.077 0.000 1.022 611 A HN 0.540 nan 8.150 nan 0.000 0.492 612 R N 2.764 123.279 120.500 0.024 0.000 2.308 612 R HA 0.356 5.178 4.340 0.804 0.000 0.305 612 R C -0.081 176.210 176.300 -0.016 0.000 1.053 612 R CA -0.462 55.643 56.100 0.007 0.000 0.957 612 R CB 0.528 30.822 30.300 -0.010 0.000 1.022 612 R HN 0.792 nan 8.270 nan 0.000 0.461 613 M N 5.696 125.265 119.600 -0.052 0.000 2.216 613 M HA 0.317 5.279 4.480 0.804 0.000 0.356 613 M C -1.198 175.021 176.300 -0.134 0.000 1.205 613 M CA -0.367 54.817 55.300 -0.193 0.000 1.122 613 M CB 0.998 33.508 32.600 -0.150 0.000 1.571 613 M HN 0.562 nan 8.290 nan 0.000 0.464 614 I N 2.768 123.239 120.570 -0.165 0.000 2.730 614 I HA 0.306 4.958 4.170 0.804 0.000 0.298 614 I C 0.228 176.292 176.117 -0.087 0.000 1.089 614 I CA -0.661 60.585 61.300 -0.089 0.000 1.041 614 I CB 1.809 39.779 38.000 -0.051 0.000 1.235 614 I HN 0.588 nan 8.210 nan 0.000 0.423 615 D N 0.000 120.369 120.400 -0.051 0.000 6.856 615 D HA 0.000 5.122 4.640 0.804 0.000 0.175 615 D CA 0.000 53.977 54.000 -0.039 0.000 0.868 615 D CB 0.000 40.787 40.800 -0.022 0.000 0.688 615 D HN 0.000 nan 8.370 nan 0.000 0.683