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 3hoy_1_B DATA FIRST_RESID 20 DATA SEQUENCE DESAPITAED SWAVISAFFR EKGLVSQQLD SFNQFVDYTL QDIICEDSTL DATA SEQUENCE IXXXXXXXXX XXXXXXXXXX ISFGKIYVTK PMVNESDGVT HALYPQEARL DATA SEQUENCE RNLTYSSGLF VDVKKRXXXX XXXXXXXXXX XXXXXXXXXX XXXXKVFIGR DATA SEQUENCE LPIMLRSKNC YLSEATESDL YKLKECPFDM GGYFIINGSE KVLIAQERSA DATA SEQUENCE GNIVQVFKKA APSPISHVAE IRSALEKGSR FISTLQVKLY GREGSSARTI DATA SEQUENCE KATLPYIKQD IPIVIIFRAL GIIPDGEILE HICYDVNDWQ MLEMLKPCVE DATA SEQUENCE DGFVIQDRET ALDFIGRXXX XXXXXKEKRI QYAKDILQKE FLPHITQLEG DATA SEQUENCE FESRKAFFLG YMINRLLLCA LDRKDQDDRD HFGKKRLDLA GPLLAQLFKT DATA SEQUENCE LFKKLTKDIF RYMQRTVEXX XXXXXXLAIN AKTITSGLKY ALATGNWGXX DATA SEQUENCE XXXXXXXAGV SQVLNRYTYS STLSHLRRTN TPIGRDGKLA KPRQLHNTHW DATA SEQUENCE GLVCPAETPE GQACGLVKNL SLMSCISVGT DPMPIITFLS EWGMEPLEDY DATA SEQUENCE VPHQSPDATR VFVNGVWHGV HRNPARLMET LRTLRRKGDI NPEVSMIRDI DATA SEQUENCE REKELKIFTD AGRVYRPLFI VEDDESLGHK ELKVRKGHIA KLMATEYQDX DATA SEQUENCE XXXXXXXXEY TWSSLLNEGL VEYIDAEEEE SILIAMQPED LEPAEAXXXX DATA SEQUENCE XXDVDPAKRI RVSHHATTFT HCEIHPSMIL GVAASIIPFP DHNQSPRNTY DATA SEQUENCE QSAMGKQAMG VFLTNYNVRM DTMANILYYP QKPLGTTRAM EYLKFRELPA DATA SEQUENCE GQNAIVAIAC YSGYNQEDSM IMNQSSIDRG LFRSLFFRSY MDQEKKYGMS DATA SEQUENCE ITETFEKPQR TNTLRMKHGT YDKLDDDGLI APGVRVSGED VIIGKTTPIS DATA SEQUENCE XXXXXXXXXX XXXSKRDAST PLRSTENGIV DQVLVTTNQD GLKFVKVRVR DATA SEQUENCE TTKIPQIGDK FASRHGQKGT IGITYRREDM PFTAEGIVPD LIINPHAIPS DATA SEQUENCE RMTVAHLIEC LLSKVAALSG NEGDASPFTD ITVEGISKLL REHGYQSRGF DATA SEQUENCE EVMYNGHTGK KLMAQIFFGP TYYQRLRHMV DDKIHARARG PMQVLTRQPV DATA SEQUENCE EGRSRDGGLR FGEMERDCMI AHGAASFLKE RLMEASDAFR VHICGICGLM DATA SEQUENCE TVIAKLNHNQ FECKGCDNKI DIYQIHIPYA AKLLFQELMA MNITPRLYTD DATA SEQUENCE RSRDF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 20 D HA 0.000 nan 4.640 nan 0.000 0.175 20 D C 0.000 176.281 176.300 -0.031 0.000 2.045 20 D CA 0.000 53.989 54.000 -0.018 0.000 0.868 20 D CB 0.000 40.795 40.800 -0.009 0.000 0.688 21 E N 0.030 120.202 120.200 -0.046 0.000 2.710 21 E HA 0.214 4.564 4.350 0.001 0.000 0.299 21 E C -0.227 176.312 176.600 -0.102 0.000 1.132 21 E CA 0.121 56.475 56.400 -0.077 0.000 1.220 21 E CB -0.053 29.589 29.700 -0.096 0.000 1.058 21 E HN 0.024 nan 8.360 nan 0.000 0.472 22 S N -0.418 115.238 115.700 -0.074 0.000 4.553 22 S HA 0.219 4.689 4.470 0.001 0.000 0.049 22 S C -0.445 174.135 174.600 -0.032 0.000 0.861 22 S CA -0.093 58.067 58.200 -0.066 0.000 0.875 22 S CB -0.228 62.931 63.200 -0.067 0.000 0.541 22 S HN 0.668 nan 8.310 nan 0.000 0.788 23 A N 2.345 125.154 122.820 -0.020 0.000 2.298 23 A HA 0.970 5.290 4.320 0.001 0.000 0.302 23 A C -2.060 175.524 177.584 0.000 0.000 1.177 23 A CA -1.497 50.538 52.037 -0.004 0.000 0.912 23 A CB 0.122 19.124 19.000 0.005 0.000 1.331 23 A HN 0.274 nan 8.150 nan 0.000 0.504 24 P HA 0.321 nan 4.420 nan 0.000 0.335 24 P C -0.664 176.643 177.300 0.011 0.000 1.379 24 P CA 0.261 63.363 63.100 0.004 0.000 0.794 24 P CB 0.394 32.105 31.700 0.018 0.000 1.849 25 I N -1.480 119.098 120.570 0.015 0.000 2.610 25 I HA 0.183 4.353 4.170 0.001 0.000 0.289 25 I C 0.792 176.939 176.117 0.051 0.000 1.163 25 I CA -0.636 60.685 61.300 0.036 0.000 1.044 25 I CB 2.188 40.202 38.000 0.022 0.000 1.251 25 I HN 0.305 nan 8.210 nan 0.000 0.424 26 T N 1.739 116.333 114.554 0.066 0.000 2.833 26 T HA 0.483 4.833 4.350 0.001 0.000 0.312 26 T C 1.192 175.940 174.700 0.079 0.000 1.085 26 T CA 0.184 62.325 62.100 0.068 0.000 0.955 26 T CB 1.046 69.959 68.868 0.076 0.000 1.353 26 T HN 0.600 nan 8.240 nan 0.000 0.544 27 A N 0.072 122.940 122.820 0.079 0.000 1.843 27 A HA 0.069 4.389 4.320 0.001 0.000 0.213 27 A C 2.231 179.846 177.584 0.051 0.000 1.202 27 A CA 1.525 53.605 52.037 0.072 0.000 0.607 27 A CB -1.394 17.664 19.000 0.097 0.000 0.847 27 A HN 0.933 nan 8.150 nan 0.000 0.445 28 E N 0.887 121.156 120.200 0.116 0.000 2.284 28 E HA -0.227 4.123 4.350 0.001 0.000 0.200 28 E C 1.145 177.859 176.600 0.191 0.000 1.008 28 E CA 1.648 58.166 56.400 0.197 0.000 0.829 28 E CB -0.393 29.434 29.700 0.212 0.000 0.744 28 E HN 0.571 nan 8.360 nan 0.000 0.491 29 D N -0.813 119.670 120.400 0.140 0.000 2.224 29 D HA -0.080 4.560 4.640 0.001 0.000 0.205 29 D C 1.775 178.182 176.300 0.178 0.000 0.965 29 D CA 1.222 55.321 54.000 0.165 0.000 0.852 29 D CB -0.011 40.876 40.800 0.144 0.000 0.947 29 D HN 0.322 nan 8.370 nan 0.000 0.494 30 S N -0.109 115.635 115.700 0.074 0.000 2.382 30 S HA -0.187 4.283 4.470 0.001 0.000 0.228 30 S C 1.932 176.531 174.600 -0.002 0.000 1.027 30 S CA 0.517 58.725 58.200 0.014 0.000 0.991 30 S CB -1.030 62.039 63.200 -0.217 0.000 0.823 30 S HN 0.439 nan 8.310 nan 0.000 0.469 31 W N 2.187 123.557 121.300 0.117 0.000 2.325 31 W HA -0.154 4.507 4.660 0.001 0.000 0.299 31 W C 2.944 179.592 176.519 0.214 0.000 1.215 31 W CA 0.658 58.084 57.345 0.135 0.000 1.244 31 W CB -0.421 29.108 29.460 0.116 0.000 1.140 31 W HN 0.416 nan 8.180 nan 0.000 0.523 32 A N 0.041 123.113 122.820 0.421 0.000 1.883 32 A HA -0.226 4.095 4.320 0.001 0.000 0.217 32 A C 1.933 179.730 177.584 0.355 0.000 1.186 32 A CA 2.370 54.617 52.037 0.351 0.000 0.624 32 A CB -1.209 17.961 19.000 0.283 0.000 0.822 32 A HN 0.109 nan 8.150 nan 0.000 0.444 33 V N 0.490 120.615 119.914 0.351 0.000 2.287 33 V HA -0.316 3.804 4.120 0.001 0.000 0.248 33 V C 2.433 178.773 176.094 0.411 0.000 1.053 33 V CA 2.156 64.696 62.300 0.399 0.000 1.027 33 V CB -0.903 31.188 31.823 0.447 0.000 0.646 33 V HN 0.583 nan 8.190 nan 0.000 0.447 34 I N 0.281 121.058 120.570 0.345 0.000 2.142 34 I HA -0.228 3.942 4.170 0.001 0.000 0.240 34 I C 2.670 179.077 176.117 0.484 0.000 1.078 34 I CA 1.741 63.233 61.300 0.319 0.000 1.343 34 I CB -0.722 37.484 38.000 0.344 0.000 1.046 34 I HN 0.251 nan 8.210 nan 0.000 0.405 35 S N 0.919 116.997 115.700 0.630 0.000 2.400 35 S HA -0.288 4.182 4.470 0.001 0.000 0.234 35 S C 2.157 177.014 174.600 0.429 0.000 1.049 35 S CA 1.719 60.287 58.200 0.613 0.000 1.039 35 S CB -0.465 62.967 63.200 0.387 0.000 0.856 35 S HN 0.606 nan 8.310 nan 0.000 0.465 36 A N 0.535 123.581 122.820 0.376 0.000 1.968 36 A HA 0.050 4.370 4.320 0.001 0.000 0.217 36 A C 1.819 179.596 177.584 0.322 0.000 1.169 36 A CA 0.876 53.117 52.037 0.338 0.000 0.638 36 A CB -0.607 18.612 19.000 0.364 0.000 0.812 36 A HN 0.473 nan 8.150 nan 0.000 0.446 37 F N 0.254 120.166 119.950 -0.064 0.000 2.075 37 F HA -0.100 4.427 4.527 0.001 0.000 0.297 37 F C 1.802 177.305 175.800 -0.496 0.000 1.113 37 F CA 1.010 58.595 58.000 -0.692 0.000 1.218 37 F CB -1.059 37.240 39.000 -1.168 0.000 0.984 37 F HN 0.258 nan 8.300 nan 0.000 0.472 38 F N 0.301 120.155 119.950 -0.159 0.000 2.365 38 F HA -0.058 4.470 4.527 0.001 0.000 0.300 38 F C 2.526 178.286 175.800 -0.066 0.000 1.090 38 F CA 0.703 58.569 58.000 -0.225 0.000 1.408 38 F CB -0.422 38.595 39.000 0.028 0.000 1.060 38 F HN -0.125 nan 8.300 nan 0.000 0.534 39 R N 0.148 120.756 120.500 0.180 0.000 2.096 39 R HA -0.176 4.164 4.340 0.001 0.000 0.235 39 R C 2.141 178.502 176.300 0.101 0.000 1.127 39 R CA 1.629 57.811 56.100 0.137 0.000 0.968 39 R CB -0.265 30.125 30.300 0.151 0.000 0.861 39 R HN 0.393 nan 8.270 nan 0.000 0.440 40 E N 0.140 120.400 120.200 0.100 0.000 2.079 40 E HA -0.080 4.271 4.350 0.001 0.000 0.191 40 E C 1.559 178.190 176.600 0.052 0.000 0.961 40 E CA 0.460 56.927 56.400 0.112 0.000 0.823 40 E CB 0.378 30.209 29.700 0.218 0.000 0.789 40 E HN 0.011 nan 8.360 nan 0.000 0.459 41 K N 0.152 120.515 120.400 -0.062 0.000 2.020 41 K HA 0.112 4.432 4.320 0.001 0.000 0.206 41 K C 0.899 177.442 176.600 -0.095 0.000 1.038 41 K CA 1.078 57.294 56.287 -0.118 0.000 0.947 41 K CB -0.433 31.876 32.500 -0.319 0.000 0.744 41 K HN 0.294 nan 8.250 nan 0.000 0.442 42 G N 0.656 109.403 108.800 -0.089 0.000 2.705 42 G HA2 -0.213 3.747 3.960 0.001 0.000 0.686 42 G HA3 -0.213 3.747 3.960 0.001 0.000 0.686 42 G C 0.514 175.438 174.900 0.039 0.000 1.285 42 G CA -0.253 44.876 45.100 0.048 0.000 0.800 42 G HN 0.163 nan 8.290 nan 0.000 0.611 43 L N 0.414 121.652 121.223 0.024 0.000 2.189 43 L HA -0.147 4.194 4.340 0.001 0.000 0.214 43 L C 2.731 179.587 176.870 -0.023 0.000 1.097 43 L CA 2.108 56.934 54.840 -0.024 0.000 0.764 43 L CB -0.437 41.573 42.059 -0.081 0.000 0.900 43 L HN 0.899 nan 8.230 nan 0.000 0.436 44 V N -4.735 115.171 119.914 -0.013 0.000 3.542 44 V HA 0.094 4.215 4.120 0.001 0.000 0.296 44 V C 2.060 178.148 176.094 -0.010 0.000 1.364 44 V CA 0.314 62.607 62.300 -0.012 0.000 1.118 44 V CB -0.269 31.555 31.823 0.002 0.000 0.972 44 V HN 0.449 nan 8.190 nan 0.000 0.430 45 S N 3.237 118.925 115.700 -0.020 0.000 2.380 45 S HA -0.507 3.964 4.470 0.001 0.000 0.290 45 S C 1.918 176.518 174.600 0.001 0.000 1.080 45 S CA 2.778 60.968 58.200 -0.017 0.000 1.468 45 S CB -1.334 61.834 63.200 -0.053 0.000 1.303 45 S HN 0.776 nan 8.310 nan 0.000 0.457 46 Q N 1.081 120.869 119.800 -0.019 0.000 2.133 46 Q HA -0.147 4.194 4.340 0.001 0.000 0.208 46 Q C 2.095 178.110 176.000 0.025 0.000 0.991 46 Q CA 1.930 57.728 55.803 -0.009 0.000 0.867 46 Q CB -0.930 27.779 28.738 -0.048 0.000 0.911 46 Q HN 0.645 nan 8.270 nan 0.000 0.417 47 Q N -0.232 119.581 119.800 0.022 0.000 2.291 47 Q HA 0.031 4.371 4.340 0.001 0.000 0.206 47 Q C 1.865 177.916 176.000 0.085 0.000 0.976 47 Q CA 0.948 56.781 55.803 0.049 0.000 0.875 47 Q CB 0.067 28.822 28.738 0.029 0.000 0.927 47 Q HN 0.519 nan 8.270 nan 0.000 0.450 48 L N -0.330 120.935 121.223 0.070 0.000 2.208 48 L HA -0.070 4.271 4.340 0.001 0.000 0.196 48 L C 1.848 178.799 176.870 0.136 0.000 1.130 48 L CA 0.392 55.290 54.840 0.097 0.000 0.791 48 L CB -0.511 41.578 42.059 0.050 0.000 0.969 48 L HN 0.022 nan 8.230 nan 0.000 0.468 49 D N 0.007 120.460 120.400 0.088 0.000 2.242 49 D HA -0.308 4.332 4.640 0.001 0.000 0.190 49 D C 2.165 178.515 176.300 0.082 0.000 1.012 49 D CA 2.156 56.200 54.000 0.074 0.000 0.875 49 D CB -0.326 40.515 40.800 0.067 0.000 0.922 49 D HN 0.226 nan 8.370 nan 0.000 0.448 50 S N -0.622 115.142 115.700 0.108 0.000 2.370 50 S HA -0.195 4.275 4.470 0.001 0.000 0.226 50 S C 1.828 176.543 174.600 0.193 0.000 1.033 50 S CA 0.880 59.156 58.200 0.126 0.000 1.011 50 S CB -0.438 62.836 63.200 0.124 0.000 0.852 50 S HN 0.235 nan 8.310 nan 0.000 0.457 51 F N 3.154 123.161 119.950 0.095 0.000 2.102 51 F HA -0.063 4.464 4.527 0.001 0.000 0.298 51 F C 2.080 177.969 175.800 0.150 0.000 1.105 51 F CA 1.725 59.814 58.000 0.147 0.000 1.239 51 F CB -0.798 38.266 39.000 0.107 0.000 0.991 51 F HN 0.251 nan 8.300 nan 0.000 0.474 52 N N 0.549 119.289 118.700 0.066 0.000 2.000 52 N HA -0.296 4.445 4.740 0.001 0.000 0.198 52 N C 1.877 177.294 175.510 -0.154 0.000 1.057 52 N CA 1.762 54.769 53.050 -0.072 0.000 0.858 52 N CB -1.224 37.249 38.487 -0.022 0.000 1.057 52 N HN 0.313 nan 8.380 nan 0.000 0.423 53 Q N 0.452 120.166 119.800 -0.143 0.000 2.224 53 Q HA -0.206 4.134 4.340 0.001 0.000 0.213 53 Q C 1.857 177.786 176.000 -0.118 0.000 0.998 53 Q CA 1.537 57.200 55.803 -0.233 0.000 0.895 53 Q CB -0.659 27.998 28.738 -0.135 0.000 0.926 53 Q HN 0.454 nan 8.270 nan 0.000 0.417 54 F N -0.791 119.044 119.950 -0.191 0.000 2.060 54 F HA -0.131 4.397 4.527 0.001 0.000 0.295 54 F C 1.795 177.459 175.800 -0.227 0.000 1.120 54 F CA 1.773 59.664 58.000 -0.182 0.000 1.205 54 F CB -0.673 38.193 39.000 -0.223 0.000 0.986 54 F HN 0.005 nan 8.300 nan 0.000 0.470 55 V N 0.812 120.377 119.914 -0.583 0.000 2.244 55 V HA -0.270 3.850 4.120 0.001 0.000 0.244 55 V C 2.253 178.138 176.094 -0.348 0.000 1.042 55 V CA 2.096 64.019 62.300 -0.628 0.000 1.006 55 V CB -0.963 30.576 31.823 -0.473 0.000 0.641 55 V HN 0.262 nan 8.190 nan 0.000 0.446 56 D N -0.764 119.537 120.400 -0.164 0.000 2.137 56 D HA -0.190 4.451 4.640 0.001 0.000 0.189 56 D C 2.003 178.476 176.300 0.290 0.000 0.998 56 D CA 2.183 56.235 54.000 0.088 0.000 0.839 56 D CB -0.240 40.668 40.800 0.180 0.000 0.962 56 D HN 0.507 nan 8.370 nan 0.000 0.446 57 Y N 0.427 120.638 120.300 -0.150 0.000 2.344 57 Y HA 0.084 4.634 4.550 0.001 0.000 0.261 57 Y C 2.745 178.548 175.900 -0.161 0.000 1.080 57 Y CA 0.403 58.435 58.100 -0.113 0.000 1.151 57 Y CB -1.232 37.198 38.460 -0.049 0.000 1.059 57 Y HN -0.127 nan 8.280 nan 0.000 0.490 58 T N 2.237 116.820 114.554 0.049 0.000 2.656 58 T HA -0.302 4.048 4.350 0.001 0.000 0.262 58 T C 1.982 176.566 174.700 -0.194 0.000 1.070 58 T CA 2.278 64.357 62.100 -0.035 0.000 1.160 58 T CB -0.947 67.955 68.868 0.058 0.000 0.855 58 T HN 0.210 nan 8.240 nan 0.000 0.456 59 L N 1.118 121.997 121.223 -0.573 0.000 2.013 59 L HA -0.162 4.178 4.340 0.001 0.000 0.212 59 L C 2.524 179.246 176.870 -0.246 0.000 1.073 59 L CA 2.107 56.586 54.840 -0.602 0.000 0.753 59 L CB -1.052 40.470 42.059 -0.896 0.000 0.890 59 L HN 0.207 nan 8.230 nan 0.000 0.432 60 Q N -0.022 119.657 119.800 -0.202 0.000 2.002 60 Q HA -0.248 4.092 4.340 0.001 0.000 0.204 60 Q C 1.853 177.803 176.000 -0.084 0.000 0.988 60 Q CA 2.479 58.204 55.803 -0.130 0.000 0.843 60 Q CB -0.606 28.073 28.738 -0.099 0.000 0.908 60 Q HN 0.633 nan 8.270 nan 0.000 0.420 61 D N -0.228 120.145 120.400 -0.046 0.000 2.172 61 D HA -0.200 4.440 4.640 0.001 0.000 0.196 61 D C 1.721 178.031 176.300 0.017 0.000 0.999 61 D CA 1.658 55.657 54.000 -0.002 0.000 0.856 61 D CB -0.216 40.601 40.800 0.028 0.000 0.934 61 D HN 0.381 nan 8.370 nan 0.000 0.453 62 I N -0.152 120.433 120.570 0.025 0.000 2.394 62 I HA -0.192 3.978 4.170 0.001 0.000 0.251 62 I C 1.798 177.919 176.117 0.007 0.000 1.136 62 I CA 0.456 61.794 61.300 0.064 0.000 1.425 62 I CB -0.058 38.041 38.000 0.164 0.000 1.079 62 I HN 0.001 nan 8.210 nan 0.000 0.425 63 I N 0.190 120.648 120.570 -0.187 0.000 2.756 63 I HA -0.171 4.000 4.170 0.001 0.000 0.262 63 I C 0.545 176.656 176.117 -0.010 0.000 1.225 63 I CA 0.874 61.922 61.300 -0.419 0.000 1.472 63 I CB -0.268 37.474 38.000 -0.431 0.000 1.094 63 I HN 0.233 nan 8.210 nan 0.000 0.454 64 C N 1.024 120.341 119.300 0.030 0.000 2.534 64 C HA 0.462 4.923 4.460 0.001 0.000 0.309 64 C C 0.891 175.913 174.990 0.054 0.000 1.072 64 C CA -0.448 58.608 59.018 0.063 0.000 1.441 64 C CB -0.569 27.201 27.740 0.049 0.000 1.906 64 C HN 0.633 nan 8.230 nan 0.000 0.429 65 E N 0.801 121.031 120.200 0.050 0.000 2.318 65 E HA 0.017 4.367 4.350 0.001 0.000 0.180 65 E C -0.202 176.400 176.600 0.004 0.000 0.931 65 E CA 0.216 56.633 56.400 0.029 0.000 1.396 65 E CB 0.119 29.837 29.700 0.030 0.000 2.229 65 E HN 0.564 nan 8.360 nan 0.000 0.855 66 D N 1.210 121.600 120.400 -0.017 0.000 2.902 66 D HA -0.054 4.586 4.640 0.001 0.000 0.331 66 D C 1.213 177.454 176.300 -0.097 0.000 1.519 66 D CA 0.636 54.602 54.000 -0.058 0.000 0.925 66 D CB -0.477 40.265 40.800 -0.097 0.000 1.620 66 D HN 0.093 nan 8.370 nan 0.000 0.390 67 S N 1.282 116.948 115.700 -0.057 0.000 2.426 67 S HA -0.145 4.326 4.470 0.001 0.000 0.220 67 S C 1.208 175.862 174.600 0.091 0.000 1.040 67 S CA 1.265 59.388 58.200 -0.128 0.000 1.094 67 S CB -1.517 61.697 63.200 0.024 0.000 1.072 67 S HN 0.269 nan 8.310 nan 0.000 0.415 68 T N 3.168 117.904 114.554 0.303 0.000 2.819 68 T HA 0.173 4.524 4.350 0.001 0.000 0.320 68 T C -0.119 174.734 174.700 0.255 0.000 1.044 68 T CA 0.751 63.046 62.100 0.325 0.000 1.135 68 T CB -0.377 68.602 68.868 0.186 0.000 1.089 68 T HN 0.357 nan 8.240 nan 0.000 0.502 69 L N 1.477 122.863 121.223 0.272 0.000 2.376 69 L HA 0.545 4.886 4.340 0.001 0.000 0.258 69 L C 0.685 177.705 176.870 0.250 0.000 1.013 69 L CA -1.320 53.727 54.840 0.345 0.000 0.822 69 L CB 1.627 43.977 42.059 0.485 0.000 1.388 69 L HN 0.566 nan 8.230 nan 0.000 0.413 91 S N 2.043 117.666 115.700 -0.128 0.000 2.738 91 S HA 0.793 5.263 4.470 0.001 0.000 0.284 91 S C -0.702 173.761 174.600 -0.228 0.000 1.146 91 S CA -0.470 57.726 58.200 -0.007 0.000 0.997 91 S CB 1.813 65.039 63.200 0.043 0.000 1.081 91 S HN 0.196 nan 8.310 nan 0.000 0.553 92 F N 0.437 120.417 119.950 0.050 0.000 2.577 92 F HA 0.595 5.122 4.527 0.001 0.000 0.344 92 F C 0.945 176.740 175.800 -0.009 0.000 1.145 92 F CA -0.648 57.376 58.000 0.041 0.000 0.996 92 F CB 1.237 40.304 39.000 0.112 0.000 1.248 92 F HN 0.945 nan 8.300 nan 0.000 0.447 93 G N 1.762 110.601 108.800 0.065 0.000 2.516 93 G HA2 0.157 4.118 3.960 0.001 0.000 0.276 93 G HA3 0.157 4.118 3.960 0.001 0.000 0.276 93 G C -0.371 174.491 174.900 -0.064 0.000 1.390 93 G CA -0.816 44.284 45.100 -0.001 0.000 1.050 93 G HN 0.556 nan 8.290 nan 0.000 0.519 94 K N -0.656 119.679 120.400 -0.109 0.000 2.550 94 K HA 0.006 4.326 4.320 0.001 0.000 0.280 94 K C -0.103 176.257 176.600 -0.399 0.000 0.987 94 K CA 0.061 56.248 56.287 -0.167 0.000 1.048 94 K CB 0.181 32.645 32.500 -0.060 0.000 0.879 94 K HN 0.318 nan 8.250 nan 0.000 0.491 95 I N 4.395 124.803 120.570 -0.270 0.000 2.488 95 I HA 0.233 4.403 4.170 0.001 0.000 0.299 95 I C -1.137 174.922 176.117 -0.095 0.000 0.984 95 I CA -0.789 60.352 61.300 -0.266 0.000 1.250 95 I CB 0.675 38.580 38.000 -0.159 0.000 1.389 95 I HN 0.595 nan 8.210 nan 0.000 0.488 96 Y N 5.543 125.874 120.300 0.051 0.000 2.335 96 Y HA 0.468 5.019 4.550 0.001 0.000 0.338 96 Y C -0.373 175.452 175.900 -0.125 0.000 0.977 96 Y CA -1.294 56.817 58.100 0.017 0.000 1.114 96 Y CB 1.967 40.533 38.460 0.177 0.000 1.182 96 Y HN 0.138 nan 8.280 nan 0.000 0.463 97 V N 3.575 123.497 119.914 0.014 0.000 2.259 97 V HA 0.110 4.230 4.120 0.001 0.000 0.267 97 V C 0.293 176.285 176.094 -0.170 0.000 1.051 97 V CA -0.751 61.477 62.300 -0.120 0.000 0.830 97 V CB 0.691 32.443 31.823 -0.118 0.000 1.080 97 V HN 0.900 nan 8.190 nan 0.000 0.467 98 T N 2.252 116.649 114.554 -0.262 0.000 2.860 98 T HA 0.342 4.693 4.350 0.001 0.000 0.299 98 T C 0.100 174.666 174.700 -0.224 0.000 1.045 98 T CA -0.516 61.435 62.100 -0.248 0.000 1.071 98 T CB 0.903 69.583 68.868 -0.312 0.000 0.985 98 T HN 0.481 nan 8.240 nan 0.000 0.537 99 K N 2.425 122.684 120.400 -0.234 0.000 2.202 99 K HA 0.267 4.587 4.320 0.001 0.000 0.264 99 K C -2.387 174.089 176.600 -0.208 0.000 1.010 99 K CA -1.778 54.310 56.287 -0.332 0.000 0.940 99 K CB 0.237 32.401 32.500 -0.561 0.000 0.983 99 K HN 0.463 nan 8.250 nan 0.000 0.475 100 P HA -0.097 nan 4.420 nan 0.000 0.263 100 P C -0.743 176.568 177.300 0.019 0.000 1.168 100 P CA 1.101 64.109 63.100 -0.153 0.000 0.759 100 P CB 0.422 31.886 31.700 -0.394 0.000 0.782 101 M N 1.472 121.059 119.600 -0.023 0.000 2.490 101 M HA 0.183 4.663 4.480 0.001 0.000 0.286 101 M C -1.365 174.944 176.300 0.015 0.000 1.185 101 M CA -0.862 54.446 55.300 0.013 0.000 0.912 101 M CB 2.435 35.055 32.600 0.034 0.000 1.744 101 M HN -0.179 nan 8.290 nan 0.000 0.494 102 V N 2.612 122.546 119.914 0.033 0.000 2.320 102 V HA 0.192 4.313 4.120 0.001 0.000 0.265 102 V C -0.046 176.083 176.094 0.057 0.000 1.048 102 V CA -0.441 61.889 62.300 0.050 0.000 0.865 102 V CB 0.558 32.423 31.823 0.070 0.000 1.043 102 V HN 0.746 nan 8.190 nan 0.000 0.474 103 N N 4.788 123.507 118.700 0.033 0.000 3.124 103 N HA 0.079 4.819 4.740 0.001 0.000 0.284 103 N C 0.392 175.920 175.510 0.029 0.000 1.209 103 N CA -0.385 52.678 53.050 0.022 0.000 1.149 103 N CB 0.350 38.827 38.487 -0.016 0.000 1.434 103 N HN 0.827 nan 8.380 nan 0.000 0.529 104 E N 0.000 120.226 120.200 0.043 0.000 2.313 104 E HA 0.263 4.613 4.350 0.001 0.000 0.272 104 E C -0.417 176.203 176.600 0.034 0.000 1.038 104 E CA -0.806 55.618 56.400 0.041 0.000 0.863 104 E CB 0.736 30.468 29.700 0.052 0.000 1.060 104 E HN 0.421 nan 8.360 nan 0.000 0.402 105 S N 1.963 117.681 115.700 0.030 0.000 2.614 105 S HA 0.111 4.581 4.470 0.001 0.000 0.265 105 S C -0.057 174.559 174.600 0.027 0.000 1.303 105 S CA -0.228 57.987 58.200 0.026 0.000 1.000 105 S CB 0.403 63.618 63.200 0.025 0.000 0.935 105 S HN 0.716 nan 8.310 nan 0.000 0.551 106 D N -0.910 119.504 120.400 0.024 0.000 2.870 106 D HA -0.074 4.566 4.640 0.001 0.000 0.228 106 D C 0.229 176.544 176.300 0.024 0.000 1.147 106 D CA 1.531 55.545 54.000 0.023 0.000 0.757 106 D CB -1.866 38.949 40.800 0.024 0.000 1.091 106 D HN 1.136 nan 8.370 nan 0.000 0.429 107 G N -1.938 106.877 108.800 0.025 0.000 2.579 107 G HA2 0.535 4.495 3.960 0.001 0.000 0.292 107 G HA3 0.535 4.495 3.960 0.001 0.000 0.292 107 G C 0.573 175.490 174.900 0.028 0.000 1.484 107 G CA -0.275 44.841 45.100 0.026 0.000 0.813 107 G HN 0.395 nan 8.290 nan 0.000 0.515 108 V N -0.991 118.940 119.914 0.028 0.000 2.231 108 V HA 0.583 4.703 4.120 0.001 0.000 0.170 108 V C 0.781 176.902 176.094 0.046 0.000 0.905 108 V CA 1.402 63.721 62.300 0.032 0.000 1.206 108 V CB -0.796 31.044 31.823 0.029 0.000 0.736 108 V HN 0.988 nan 8.190 nan 0.000 0.453 109 T N 0.158 114.752 114.554 0.067 0.000 3.422 109 T HA 0.282 4.633 4.350 0.001 0.000 0.327 109 T C -0.964 173.828 174.700 0.154 0.000 0.840 109 T CA -0.288 61.865 62.100 0.088 0.000 1.126 109 T CB -0.067 68.836 68.868 0.058 0.000 1.008 109 T HN 0.873 nan 8.240 nan 0.000 0.485 110 H N 2.518 121.617 119.070 0.048 0.000 2.790 110 H HA 0.591 5.147 4.556 0.001 0.000 0.358 110 H C 0.201 175.582 175.328 0.088 0.000 1.103 110 H CA -0.569 55.517 56.048 0.063 0.000 1.426 110 H CB 0.784 30.579 29.762 0.056 0.000 1.424 110 H HN 0.701 nan 8.280 nan 0.000 0.599 111 A N 6.157 129.171 122.820 0.323 0.000 2.437 111 A HA 0.270 4.590 4.320 0.001 0.000 0.303 111 A C -0.320 177.068 177.584 -0.325 0.000 1.324 111 A CA -0.595 51.496 52.037 0.090 0.000 0.983 111 A CB -0.828 18.346 19.000 0.290 0.000 1.142 111 A HN 0.606 nan 8.150 nan 0.000 0.541 112 L N 3.446 124.519 121.223 -0.250 0.000 2.455 112 L HA 0.349 4.689 4.340 0.001 0.000 0.272 112 L C -0.902 175.872 176.870 -0.161 0.000 1.174 112 L CA 0.463 55.175 54.840 -0.214 0.000 0.869 112 L CB -0.253 41.788 42.059 -0.031 0.000 1.130 112 L HN 0.571 nan 8.230 nan 0.000 0.474 113 Y N 6.893 127.021 120.300 -0.287 0.000 2.446 113 Y HA 0.425 4.975 4.550 0.001 0.000 0.338 113 Y C -1.456 174.319 175.900 -0.209 0.000 1.055 113 Y CA -2.005 55.940 58.100 -0.259 0.000 1.101 113 Y CB 0.976 39.253 38.460 -0.306 0.000 1.221 113 Y HN 0.556 nan 8.280 nan 0.000 0.460 114 P HA -0.351 nan 4.420 nan 0.000 0.207 114 P C 1.291 178.509 177.300 -0.136 0.000 1.115 114 P CA 1.970 64.789 63.100 -0.469 0.000 0.956 114 P CB 0.336 31.675 31.700 -0.602 0.000 0.774 115 Q N 0.403 120.157 119.800 -0.077 0.000 2.208 115 Q HA -0.278 4.062 4.340 0.001 0.000 0.219 115 Q C 2.233 178.238 176.000 0.009 0.000 1.027 115 Q CA 2.760 58.552 55.803 -0.019 0.000 0.925 115 Q CB -1.290 27.439 28.738 -0.015 0.000 1.006 115 Q HN 0.510 nan 8.270 nan 0.000 0.415 116 E N -1.740 118.471 120.200 0.020 0.000 2.046 116 E HA -0.109 4.241 4.350 0.001 0.000 0.190 116 E C 1.818 178.456 176.600 0.064 0.000 0.982 116 E CA 0.837 57.265 56.400 0.047 0.000 0.800 116 E CB -0.279 29.451 29.700 0.051 0.000 0.756 116 E HN 0.450 nan 8.360 nan 0.000 0.449 117 A N 1.873 124.726 122.820 0.055 0.000 1.908 117 A HA -0.229 4.092 4.320 0.001 0.000 0.218 117 A C 2.160 179.789 177.584 0.076 0.000 1.181 117 A CA 1.502 53.584 52.037 0.074 0.000 0.627 117 A CB -0.527 18.531 19.000 0.097 0.000 0.818 117 A HN 0.187 nan 8.150 nan 0.000 0.445 118 R N -0.741 119.796 120.500 0.061 0.000 2.088 118 R HA -0.146 4.194 4.340 0.001 0.000 0.232 118 R C 2.150 178.514 176.300 0.107 0.000 1.136 118 R CA 1.687 57.832 56.100 0.075 0.000 0.926 118 R CB -1.000 29.334 30.300 0.057 0.000 0.837 118 R HN 0.489 nan 8.270 nan 0.000 0.429 119 L N 0.723 122.009 121.223 0.105 0.000 1.989 119 L HA -0.178 4.162 4.340 0.001 0.000 0.211 119 L C 2.530 179.559 176.870 0.265 0.000 1.071 119 L CA 1.701 56.627 54.840 0.143 0.000 0.749 119 L CB -0.359 41.761 42.059 0.103 0.000 0.890 119 L HN 0.123 nan 8.230 nan 0.000 0.431 120 R N -0.026 120.608 120.500 0.222 0.000 2.323 120 R HA 0.025 4.365 4.340 0.001 0.000 0.198 120 R C 0.055 176.379 176.300 0.040 0.000 0.988 120 R CA 0.371 56.615 56.100 0.239 0.000 1.041 120 R CB -0.554 29.829 30.300 0.140 0.000 0.926 120 R HN 0.462 nan 8.270 nan 0.000 0.476 121 N N 0.413 119.163 118.700 0.083 0.000 2.758 121 N HA -0.161 4.579 4.740 0.001 0.000 0.248 121 N C -0.902 174.589 175.510 -0.031 0.000 1.076 121 N CA -0.144 52.907 53.050 0.001 0.000 0.696 121 N CB -0.849 37.567 38.487 -0.118 0.000 0.979 121 N HN 0.147 nan 8.380 nan 0.000 0.550 122 L N -0.575 120.662 121.223 0.022 0.000 2.421 122 L HA 0.585 4.926 4.340 0.001 0.000 0.267 122 L C 0.668 177.583 176.870 0.076 0.000 1.036 122 L CA -0.631 54.230 54.840 0.035 0.000 0.829 122 L CB 1.264 43.352 42.059 0.049 0.000 1.437 122 L HN -0.056 nan 8.230 nan 0.000 0.488 123 T N -0.769 113.840 114.554 0.092 0.000 2.842 123 T HA 0.176 4.527 4.350 0.001 0.000 0.308 123 T C -0.538 174.257 174.700 0.159 0.000 1.041 123 T CA -0.264 61.912 62.100 0.126 0.000 0.964 123 T CB 0.211 69.144 68.868 0.108 0.000 0.972 123 T HN 0.242 nan 8.240 nan 0.000 0.460 124 Y N 4.767 125.083 120.300 0.026 0.000 2.577 124 Y HA 0.222 4.772 4.550 0.001 0.000 0.340 124 Y C 0.833 176.738 175.900 0.007 0.000 1.238 124 Y CA -0.400 57.696 58.100 -0.006 0.000 1.905 124 Y CB -1.023 37.405 38.460 -0.054 0.000 1.790 124 Y HN 0.690 nan 8.280 nan 0.000 0.422 125 S N 1.262 116.914 115.700 -0.081 0.000 2.751 125 S HA 0.949 5.419 4.470 0.001 0.000 0.310 125 S C -0.296 174.226 174.600 -0.130 0.000 1.128 125 S CA -0.212 57.941 58.200 -0.079 0.000 0.931 125 S CB 1.885 65.111 63.200 0.043 0.000 1.177 125 S HN 0.454 nan 8.310 nan 0.000 0.530 126 S N -0.651 115.002 115.700 -0.077 0.000 2.776 126 S HA 0.813 5.284 4.470 0.001 0.000 0.292 126 S C 0.048 174.633 174.600 -0.025 0.000 1.187 126 S CA -0.671 57.476 58.200 -0.089 0.000 0.834 126 S CB 0.504 63.602 63.200 -0.170 0.000 1.199 126 S HN 1.415 nan 8.310 nan 0.000 0.514 127 G N 0.101 108.836 108.800 -0.109 0.000 2.380 127 G HA2 0.526 4.486 3.960 0.001 0.000 0.262 127 G HA3 0.526 4.486 3.960 0.001 0.000 0.262 127 G C -1.229 173.523 174.900 -0.247 0.000 1.243 127 G CA -0.400 44.621 45.100 -0.132 0.000 0.865 127 G HN 0.432 nan 8.290 nan 0.000 0.513 128 L N 2.949 124.161 121.223 -0.017 0.000 2.277 128 L HA 0.433 4.774 4.340 0.001 0.000 0.284 128 L C -0.273 176.762 176.870 0.275 0.000 1.028 128 L CA -0.163 54.653 54.840 -0.040 0.000 0.835 128 L CB 0.423 42.411 42.059 -0.118 0.000 1.215 128 L HN 0.427 nan 8.230 nan 0.000 0.425 129 F N 2.605 122.623 119.950 0.112 0.000 2.469 129 F HA 0.772 5.299 4.527 0.001 0.000 0.332 129 F C -0.096 175.650 175.800 -0.091 0.000 1.103 129 F CA -1.324 56.748 58.000 0.120 0.000 0.979 129 F CB 2.267 41.451 39.000 0.306 0.000 1.137 129 F HN -0.022 nan 8.300 nan 0.000 0.463 130 V N 1.943 121.903 119.914 0.078 0.000 2.733 130 V HA 0.134 4.254 4.120 0.001 0.000 0.306 130 V C -0.843 175.195 176.094 -0.093 0.000 1.084 130 V CA -1.113 61.136 62.300 -0.085 0.000 0.905 130 V CB 2.149 34.009 31.823 0.061 0.000 1.010 130 V HN 0.610 nan 8.190 nan 0.000 0.424 131 D N 3.958 124.246 120.400 -0.186 0.000 2.367 131 D HA 0.179 4.819 4.640 0.001 0.000 0.255 131 D C 0.196 176.438 176.300 -0.097 0.000 1.300 131 D CA 0.244 54.177 54.000 -0.112 0.000 0.959 131 D CB 1.447 42.187 40.800 -0.100 0.000 1.064 131 D HN 0.238 nan 8.370 nan 0.000 0.509 132 V N 2.744 122.584 119.914 -0.123 0.000 3.003 132 V HA 0.116 4.237 4.120 0.001 0.000 0.305 132 V C 0.824 176.819 176.094 -0.165 0.000 1.078 132 V CA -0.263 61.897 62.300 -0.233 0.000 1.083 132 V CB 1.106 32.778 31.823 -0.252 0.000 1.039 132 V HN 0.272 nan 8.190 nan 0.000 0.481 133 K N 2.376 122.660 120.400 -0.193 0.000 2.450 133 K HA 0.305 4.625 4.320 0.001 0.000 0.257 133 K C 0.728 177.266 176.600 -0.104 0.000 0.953 133 K CA -0.648 55.573 56.287 -0.111 0.000 0.844 133 K CB 1.925 34.379 32.500 -0.077 0.000 1.103 133 K HN 0.697 nan 8.250 nan 0.000 0.429 134 K N 2.818 123.176 120.400 -0.070 0.000 2.097 134 K HA -0.149 4.171 4.320 0.001 0.000 0.206 134 K C 0.725 177.303 176.600 -0.037 0.000 1.049 134 K CA 0.549 56.805 56.287 -0.051 0.000 0.933 134 K CB -0.360 32.120 32.500 -0.034 0.000 0.717 134 K HN 0.592 nan 8.250 nan 0.000 0.442 165 V N 2.182 122.043 119.914 -0.089 0.000 2.876 165 V HA 0.489 4.609 4.120 0.001 0.000 0.312 165 V C -0.982 175.139 176.094 0.044 0.000 1.085 165 V CA -0.867 61.404 62.300 -0.048 0.000 0.945 165 V CB 1.634 33.464 31.823 0.012 0.000 1.017 165 V HN 0.220 nan 8.190 nan 0.000 0.428 166 F N 4.365 124.288 119.950 -0.045 0.000 2.404 166 F HA 0.642 5.169 4.527 0.001 0.000 0.345 166 F C 0.162 176.091 175.800 0.215 0.000 1.110 166 F CA -0.694 57.436 58.000 0.217 0.000 1.130 166 F CB 1.104 40.240 39.000 0.227 0.000 1.129 166 F HN 0.344 nan 8.300 nan 0.000 0.500 167 I N 5.611 125.885 120.570 -0.494 0.000 3.283 167 I HA 0.531 4.702 4.170 0.001 0.000 0.342 167 I C 0.385 176.155 176.117 -0.578 0.000 1.510 167 I CA -0.023 61.046 61.300 -0.384 0.000 1.006 167 I CB 0.030 38.013 38.000 -0.028 0.000 1.596 167 I HN 0.876 nan 8.210 nan 0.000 0.509 168 G N 1.203 109.191 108.800 -1.353 0.000 2.655 168 G HA2 -0.102 3.858 3.960 0.001 0.000 0.680 168 G HA3 -0.102 3.858 3.960 0.001 0.000 0.680 168 G C -0.650 174.100 174.900 -0.251 0.000 1.302 168 G CA -1.128 43.615 45.100 -0.594 0.000 0.872 168 G HN 0.277 nan 8.290 nan 0.000 0.540 169 R N -0.934 119.623 120.500 0.095 0.000 2.445 169 R HA 0.635 4.975 4.340 0.001 0.000 0.308 169 R C -0.366 175.978 176.300 0.073 0.000 0.961 169 R CA -0.814 55.376 56.100 0.151 0.000 0.862 169 R CB 1.758 32.183 30.300 0.208 0.000 1.144 169 R HN 0.670 nan 8.270 nan 0.000 0.447 170 L N 5.179 126.428 121.223 0.044 0.000 2.277 170 L HA 0.459 4.800 4.340 0.001 0.000 0.284 170 L C -2.391 174.557 176.870 0.130 0.000 1.028 170 L CA -2.381 52.497 54.840 0.064 0.000 0.835 170 L CB 0.952 43.016 42.059 0.008 0.000 1.215 170 L HN 0.476 nan 8.230 nan 0.000 0.425 171 P HA -0.001 nan 4.420 nan 0.000 0.260 171 P C -0.472 176.957 177.300 0.214 0.000 1.185 171 P CA 0.252 63.487 63.100 0.224 0.000 0.763 171 P CB 0.358 32.261 31.700 0.340 0.000 0.776 172 I N 4.029 124.568 120.570 -0.052 0.000 2.612 172 I HA 0.311 4.481 4.170 0.001 0.000 0.295 172 I C 1.089 176.697 176.117 -0.848 0.000 1.011 172 I CA -0.640 60.504 61.300 -0.260 0.000 1.326 172 I CB 0.503 38.354 38.000 -0.248 0.000 1.427 172 I HN 0.332 nan 8.210 nan 0.000 0.537 173 M N 4.987 123.753 119.600 -1.390 0.000 2.209 173 M HA 0.395 4.876 4.480 0.001 0.000 0.355 173 M C -1.099 174.799 176.300 -0.671 0.000 1.171 173 M CA -0.870 53.531 55.300 -1.498 0.000 1.069 173 M CB 0.723 32.309 32.600 -1.690 0.000 1.622 173 M HN 0.283 nan 8.290 nan 0.000 0.459 174 L N 5.581 126.428 121.223 -0.626 0.000 2.514 174 L HA 0.095 4.435 4.340 0.001 0.000 0.280 174 L C 0.945 177.619 176.870 -0.327 0.000 1.223 174 L CA 0.954 55.515 54.840 -0.466 0.000 0.864 174 L CB 0.013 41.603 42.059 -0.782 0.000 1.118 174 L HN 0.904 nan 8.230 nan 0.000 0.494 175 R N -0.808 119.586 120.500 -0.176 0.000 3.919 175 R HA -0.151 4.189 4.340 0.001 0.000 0.412 175 R C 0.059 176.327 176.300 -0.053 0.000 1.102 175 R CA 0.949 56.992 56.100 -0.096 0.000 1.082 175 R CB -2.352 27.890 30.300 -0.096 0.000 1.671 175 R HN 0.877 nan 8.270 nan 0.000 0.540 176 S N -1.069 114.600 115.700 -0.051 0.000 2.693 176 S HA 0.460 4.930 4.470 0.001 0.000 0.276 176 S C 1.334 175.953 174.600 0.032 0.000 1.192 176 S CA -0.551 57.670 58.200 0.036 0.000 0.994 176 S CB 2.017 65.301 63.200 0.140 0.000 1.012 176 S HN 0.196 nan 8.310 nan 0.000 0.550 177 K N 1.048 121.476 120.400 0.046 0.000 2.000 177 K HA -0.218 4.102 4.320 0.001 0.000 0.218 177 K C 1.821 178.396 176.600 -0.041 0.000 1.053 177 K CA 2.084 58.372 56.287 0.002 0.000 0.946 177 K CB -0.637 31.863 32.500 -0.000 0.000 0.723 177 K HN 0.694 nan 8.250 nan 0.000 0.446 178 N N 0.204 118.884 118.700 -0.032 0.000 2.588 178 N HA -0.120 4.621 4.740 0.001 0.000 0.190 178 N C -0.381 175.021 175.510 -0.179 0.000 1.094 178 N CA 0.376 53.360 53.050 -0.111 0.000 0.921 178 N CB -0.014 38.434 38.487 -0.064 0.000 0.959 178 N HN 0.175 nan 8.380 nan 0.000 0.448 179 C N 0.251 119.502 119.300 -0.081 0.000 2.330 179 C HA 0.268 4.728 4.460 0.001 0.000 0.344 179 C C 1.468 176.461 174.990 0.004 0.000 1.273 179 C CA -0.961 58.071 59.018 0.023 0.000 1.879 179 C CB -1.018 26.793 27.740 0.118 0.000 2.376 179 C HN 0.484 nan 8.230 nan 0.000 0.534 180 Y N 3.389 123.641 120.300 -0.079 0.000 2.102 180 Y HA -0.189 4.362 4.550 0.001 0.000 0.280 180 Y C 2.192 178.058 175.900 -0.058 0.000 1.178 180 Y CA 1.929 59.947 58.100 -0.136 0.000 1.146 180 Y CB -0.652 37.566 38.460 -0.403 0.000 0.968 180 Y HN 0.648 nan 8.280 nan 0.000 0.504 181 L N 0.097 121.398 121.223 0.129 0.000 2.263 181 L HA -0.270 4.070 4.340 0.001 0.000 0.216 181 L C 2.496 179.385 176.870 0.033 0.000 1.111 181 L CA 1.438 56.315 54.840 0.061 0.000 0.773 181 L CB -0.992 41.064 42.059 -0.005 0.000 0.906 181 L HN 0.393 nan 8.230 nan 0.000 0.439 182 S N -0.258 115.455 115.700 0.022 0.000 2.387 182 S HA -0.244 4.226 4.470 0.001 0.000 0.230 182 S C 1.623 176.233 174.600 0.017 0.000 1.035 182 S CA 1.624 59.829 58.200 0.008 0.000 1.014 182 S CB -0.237 62.961 63.200 -0.003 0.000 0.836 182 S HN 0.607 nan 8.310 nan 0.000 0.466 183 E N 1.796 122.013 120.200 0.027 0.000 2.132 183 E HA 0.419 4.769 4.350 0.001 0.000 0.193 183 E C 1.226 177.852 176.600 0.043 0.000 0.951 183 E CA 0.210 56.629 56.400 0.032 0.000 0.843 183 E CB -0.352 29.366 29.700 0.030 0.000 0.807 183 E HN 0.608 nan 8.360 nan 0.000 0.467 184 A N 1.934 124.792 122.820 0.063 0.000 2.671 184 A HA -0.028 4.292 4.320 0.001 0.000 0.227 184 A C 0.649 178.259 177.584 0.043 0.000 1.122 184 A CA 1.217 53.295 52.037 0.068 0.000 0.846 184 A CB -0.274 18.779 19.000 0.090 0.000 1.001 184 A HN 0.307 nan 8.150 nan 0.000 0.506 185 T N -1.510 113.071 114.554 0.044 0.000 2.910 185 T HA 0.555 4.906 4.350 0.001 0.000 0.287 185 T C 0.811 175.538 174.700 0.046 0.000 1.050 185 T CA 0.216 62.335 62.100 0.032 0.000 1.011 185 T CB 1.302 70.186 68.868 0.028 0.000 1.195 185 T HN 0.769 nan 8.240 nan 0.000 0.540 186 E N 1.041 121.268 120.200 0.046 0.000 2.081 186 E HA -0.312 4.038 4.350 0.001 0.000 0.235 186 E C 2.218 178.951 176.600 0.221 0.000 1.043 186 E CA 3.271 59.742 56.400 0.119 0.000 0.924 186 E CB -0.676 29.086 29.700 0.103 0.000 0.821 186 E HN 0.810 nan 8.360 nan 0.000 0.517 187 S N 0.560 116.349 115.700 0.148 0.000 2.389 187 S HA -0.308 4.163 4.470 0.001 0.000 0.231 187 S C 1.699 176.370 174.600 0.118 0.000 1.052 187 S CA 1.766 60.033 58.200 0.111 0.000 1.053 187 S CB -0.751 62.460 63.200 0.017 0.000 0.886 187 S HN 0.347 nan 8.310 nan 0.000 0.456 188 D N 1.753 122.205 120.400 0.087 0.000 2.104 188 D HA -0.051 4.589 4.640 0.001 0.000 0.194 188 D C 2.061 178.408 176.300 0.077 0.000 0.994 188 D CA 1.418 55.462 54.000 0.074 0.000 0.830 188 D CB -0.298 40.544 40.800 0.071 0.000 0.959 188 D HN 0.405 nan 8.370 nan 0.000 0.452 189 L N -0.278 120.988 121.223 0.071 0.000 1.988 189 L HA -0.196 4.144 4.340 0.001 0.000 0.207 189 L C 2.598 179.470 176.870 0.003 0.000 1.071 189 L CA 1.041 55.889 54.840 0.013 0.000 0.744 189 L CB -0.776 41.246 42.059 -0.061 0.000 0.893 189 L HN 0.046 nan 8.230 nan 0.000 0.433 190 Y N 0.770 121.055 120.300 -0.024 0.000 2.219 190 Y HA -0.327 4.223 4.550 0.001 0.000 0.283 190 Y C 2.560 178.437 175.900 -0.039 0.000 1.191 190 Y CA 1.590 59.670 58.100 -0.033 0.000 1.199 190 Y CB -0.364 38.073 38.460 -0.039 0.000 0.972 190 Y HN 0.157 nan 8.280 nan 0.000 0.527 191 K N -0.442 120.027 120.400 0.115 0.000 2.228 191 K HA -0.011 4.309 4.320 0.001 0.000 0.202 191 K C 1.514 178.103 176.600 -0.017 0.000 1.051 191 K CA 0.771 57.080 56.287 0.037 0.000 0.960 191 K CB -0.086 32.428 32.500 0.022 0.000 0.743 191 K HN 0.330 nan 8.250 nan 0.000 0.458 192 L N 0.642 121.854 121.223 -0.020 0.000 2.591 192 L HA 0.064 4.405 4.340 0.001 0.000 0.228 192 L C 0.176 177.017 176.870 -0.048 0.000 1.133 192 L CA 0.279 55.084 54.840 -0.058 0.000 0.880 192 L CB -0.096 41.968 42.059 0.008 0.000 1.033 192 L HN 0.151 nan 8.230 nan 0.000 0.450 193 K N -0.005 120.371 120.400 -0.041 0.000 3.339 193 K HA -0.135 4.185 4.320 0.001 0.000 0.299 193 K C -0.349 176.207 176.600 -0.074 0.000 1.270 193 K CA 0.495 56.750 56.287 -0.054 0.000 0.875 193 K CB -0.892 31.580 32.500 -0.046 0.000 1.298 193 K HN 0.249 nan 8.250 nan 0.000 0.485 194 E N 0.762 120.909 120.200 -0.089 0.000 2.156 194 E HA 0.112 4.462 4.350 0.001 0.000 0.279 194 E C -0.203 176.296 176.600 -0.168 0.000 0.965 194 E CA -0.455 55.893 56.400 -0.087 0.000 0.789 194 E CB 1.668 31.335 29.700 -0.055 0.000 1.098 194 E HN 0.258 nan 8.360 nan 0.000 0.397 195 C N 6.622 125.848 119.300 -0.124 0.000 2.651 195 C HA 0.099 4.560 4.460 0.001 0.000 0.410 195 C C -0.584 174.331 174.990 -0.126 0.000 1.372 195 C CA -1.466 57.457 59.018 -0.158 0.000 1.707 195 C CB -0.215 27.503 27.740 -0.038 0.000 2.501 195 C HN 0.584 nan 8.230 nan 0.000 0.598 196 P HA -0.166 nan 4.420 nan 0.000 0.218 196 P C 1.135 178.324 177.300 -0.184 0.000 1.146 196 P CA 1.847 64.794 63.100 -0.256 0.000 0.813 196 P CB -0.110 31.370 31.700 -0.366 0.000 0.778 197 F N 0.101 119.990 119.950 -0.101 0.000 2.502 197 F HA 0.022 4.550 4.527 0.001 0.000 0.298 197 F C 1.246 177.120 175.800 0.124 0.000 1.111 197 F CA 0.244 58.219 58.000 -0.041 0.000 1.445 197 F CB -1.081 37.806 39.000 -0.188 0.000 1.081 197 F HN -0.092 nan 8.300 nan 0.000 0.558 198 D N 0.929 121.492 120.400 0.271 0.000 2.488 198 D HA -0.038 4.602 4.640 0.001 0.000 0.238 198 D C 1.008 177.424 176.300 0.193 0.000 1.138 198 D CA 0.280 54.435 54.000 0.259 0.000 0.873 198 D CB 0.551 41.468 40.800 0.195 0.000 1.183 198 D HN 0.003 nan 8.370 nan 0.000 0.458 199 M N 2.046 121.764 119.600 0.196 0.000 2.576 199 M HA 0.335 4.815 4.480 0.001 0.000 0.322 199 M C 0.777 177.126 176.300 0.083 0.000 1.184 199 M CA -0.255 55.116 55.300 0.119 0.000 0.967 199 M CB -0.646 32.013 32.600 0.099 0.000 1.372 199 M HN 0.366 nan 8.290 nan 0.000 0.509 200 G N 1.894 110.748 108.800 0.089 0.000 2.564 200 G HA2 -0.047 3.913 3.960 0.001 0.000 0.309 200 G HA3 -0.047 3.913 3.960 0.001 0.000 0.309 200 G C 0.749 175.645 174.900 -0.008 0.000 1.320 200 G CA 1.098 46.129 45.100 -0.116 0.000 0.941 200 G HN 1.864 nan 8.290 nan 0.000 0.543 201 G N -3.242 105.463 108.800 -0.158 0.000 2.141 201 G HA2 0.206 4.166 3.960 0.001 0.000 0.242 201 G HA3 0.206 4.166 3.960 0.001 0.000 0.242 201 G C 0.198 175.122 174.900 0.041 0.000 0.982 201 G CA 1.595 46.664 45.100 -0.051 0.000 0.662 201 G HN 2.424 nan 8.290 nan 0.000 0.527 202 Y N -2.131 118.103 120.300 -0.110 0.000 2.669 202 Y HA 0.859 5.410 4.550 0.001 0.000 0.335 202 Y C -0.542 175.327 175.900 -0.051 0.000 1.116 202 Y CA -2.881 55.225 58.100 0.010 0.000 1.081 202 Y CB 0.801 39.245 38.460 -0.026 0.000 1.297 202 Y HN -0.007 nan 8.280 nan 0.000 0.484 203 F N 1.022 121.024 119.950 0.088 0.000 2.483 203 F HA 0.648 5.175 4.527 0.001 0.000 0.329 203 F C -0.260 175.622 175.800 0.136 0.000 1.064 203 F CA -1.586 56.428 58.000 0.023 0.000 0.986 203 F CB 1.772 40.773 39.000 0.002 0.000 1.218 203 F HN 0.369 nan 8.300 nan 0.000 0.484 204 I N 3.833 124.558 120.570 0.258 0.000 2.555 204 I HA 0.267 4.437 4.170 0.001 0.000 0.275 204 I C -1.181 175.052 176.117 0.193 0.000 1.082 204 I CA -0.292 61.129 61.300 0.202 0.000 1.167 204 I CB 0.443 38.514 38.000 0.118 0.000 1.312 204 I HN 0.261 nan 8.210 nan 0.000 0.493 205 I N 5.053 125.728 120.570 0.174 0.000 2.353 205 I HA 0.250 4.420 4.170 0.001 0.000 0.293 205 I C 1.164 177.334 176.117 0.089 0.000 0.992 205 I CA -0.070 61.310 61.300 0.132 0.000 1.268 205 I CB 0.506 38.572 38.000 0.110 0.000 1.387 205 I HN 0.392 nan 8.210 nan 0.000 0.478 206 N N 5.110 123.855 118.700 0.075 0.000 2.677 206 N HA -0.265 4.476 4.740 0.001 0.000 0.249 206 N C 0.932 176.469 175.510 0.044 0.000 1.073 206 N CA 1.312 54.389 53.050 0.045 0.000 0.737 206 N CB -0.491 38.014 38.487 0.031 0.000 0.999 206 N HN 1.119 nan 8.380 nan 0.000 0.543 207 G N -2.457 106.383 108.800 0.067 0.000 2.905 207 G HA2 -0.250 3.710 3.960 0.001 0.000 0.199 207 G HA3 -0.250 3.710 3.960 0.001 0.000 0.199 207 G C -0.069 174.879 174.900 0.080 0.000 1.370 207 G CA 0.312 45.457 45.100 0.076 0.000 0.966 207 G HN 0.915 nan 8.290 nan 0.000 0.522 208 S N 1.336 117.078 115.700 0.070 0.000 2.616 208 S HA 0.623 5.094 4.470 0.001 0.000 0.277 208 S C -0.216 174.432 174.600 0.080 0.000 1.234 208 S CA -0.449 57.786 58.200 0.058 0.000 1.028 208 S CB 1.838 65.058 63.200 0.034 0.000 0.988 208 S HN 0.514 nan 8.310 nan 0.000 0.522 209 E N 1.705 121.933 120.200 0.047 0.000 2.220 209 E HA 0.145 4.496 4.350 0.001 0.000 0.272 209 E C -0.506 176.115 176.600 0.036 0.000 1.099 209 E CA -0.205 56.230 56.400 0.058 0.000 0.907 209 E CB 0.345 29.924 29.700 -0.201 0.000 1.022 209 E HN 0.274 nan 8.360 nan 0.000 0.428 210 K N 2.588 123.069 120.400 0.135 0.000 2.235 210 K HA 0.346 4.666 4.320 0.001 0.000 0.266 210 K C -0.595 176.043 176.600 0.063 0.000 0.980 210 K CA -0.820 55.503 56.287 0.060 0.000 0.849 210 K CB 1.961 34.492 32.500 0.051 0.000 1.098 210 K HN 0.216 nan 8.250 nan 0.000 0.445 211 V N 4.712 124.575 119.914 -0.086 0.000 2.427 211 V HA 0.348 4.468 4.120 0.001 0.000 0.286 211 V C 0.421 176.404 176.094 -0.184 0.000 1.034 211 V CA -0.922 61.292 62.300 -0.144 0.000 0.893 211 V CB 1.335 32.910 31.823 -0.413 0.000 0.982 211 V HN 0.553 nan 8.190 nan 0.000 0.452 212 L N 5.602 126.727 121.223 -0.163 0.000 2.290 212 L HA 0.409 4.750 4.340 0.001 0.000 0.284 212 L C -0.251 176.499 176.870 -0.199 0.000 1.078 212 L CA -0.275 54.422 54.840 -0.238 0.000 0.815 212 L CB 0.872 42.793 42.059 -0.230 0.000 1.162 212 L HN 0.429 nan 8.230 nan 0.000 0.435 213 I N 3.220 123.652 120.570 -0.229 0.000 2.365 213 I HA 0.229 4.400 4.170 0.001 0.000 0.291 213 I C 0.790 176.814 176.117 -0.156 0.000 1.004 213 I CA -0.386 60.815 61.300 -0.166 0.000 1.311 213 I CB 1.442 39.360 38.000 -0.137 0.000 1.401 213 I HN 0.596 nan 8.210 nan 0.000 0.491 214 A N 7.655 130.413 122.820 -0.104 0.000 2.546 214 A HA 0.102 4.423 4.320 0.001 0.000 0.243 214 A C 0.205 177.739 177.584 -0.084 0.000 1.063 214 A CA -0.072 51.916 52.037 -0.082 0.000 0.757 214 A CB -0.071 18.899 19.000 -0.051 0.000 0.991 214 A HN 0.658 nan 8.150 nan 0.000 0.503 215 Q N 1.887 121.636 119.800 -0.086 0.000 2.372 215 Q HA 0.233 4.574 4.340 0.001 0.000 0.259 215 Q C -0.287 175.691 176.000 -0.037 0.000 0.993 215 Q CA -0.159 55.598 55.803 -0.076 0.000 0.854 215 Q CB 1.620 30.292 28.738 -0.110 0.000 1.231 215 Q HN 0.900 nan 8.270 nan 0.000 0.462 216 E N 2.922 123.115 120.200 -0.013 0.000 2.354 216 E HA 0.347 4.697 4.350 0.001 0.000 0.269 216 E C -0.571 176.036 176.600 0.012 0.000 1.036 216 E CA -0.274 56.138 56.400 0.020 0.000 0.876 216 E CB 0.634 30.376 29.700 0.071 0.000 1.009 216 E HN 0.500 nan 8.360 nan 0.000 0.416 217 R N 0.679 121.186 120.500 0.011 0.000 2.728 217 R HA 0.373 4.713 4.340 0.001 0.000 0.274 217 R C -1.473 174.828 176.300 0.001 0.000 1.030 217 R CA -0.826 55.278 56.100 0.007 0.000 0.876 217 R CB 0.386 30.687 30.300 0.001 0.000 1.259 217 R HN 0.251 nan 8.270 nan 0.000 0.468 218 S N 0.289 115.991 115.700 0.003 0.000 2.545 218 S HA 0.644 5.115 4.470 0.001 0.000 0.275 218 S C 0.133 174.720 174.600 -0.021 0.000 1.299 218 S CA -0.138 58.060 58.200 -0.003 0.000 1.048 218 S CB 1.127 64.334 63.200 0.012 0.000 0.938 218 S HN 0.757 nan 8.310 nan 0.000 0.496 219 A N 2.589 125.380 122.820 -0.048 0.000 2.386 219 A HA 0.630 4.950 4.320 0.001 0.000 0.246 219 A C 0.840 178.399 177.584 -0.042 0.000 1.089 219 A CA 0.059 52.057 52.037 -0.064 0.000 0.790 219 A CB -0.241 18.681 19.000 -0.129 0.000 1.042 219 A HN 0.888 nan 8.150 nan 0.000 0.497 220 G N -1.208 107.571 108.800 -0.036 0.000 2.753 220 G HA2 0.445 4.405 3.960 0.001 0.000 0.285 220 G HA3 0.445 4.405 3.960 0.001 0.000 0.285 220 G C -0.031 174.827 174.900 -0.069 0.000 1.344 220 G CA -0.178 44.895 45.100 -0.046 0.000 1.050 220 G HN 0.905 nan 8.290 nan 0.000 0.532 221 N N -1.642 116.965 118.700 -0.154 0.000 2.681 221 N HA -0.164 4.577 4.740 0.001 0.000 0.250 221 N C -0.218 175.207 175.510 -0.142 0.000 1.133 221 N CA 1.110 53.986 53.050 -0.289 0.000 0.732 221 N CB -1.142 37.203 38.487 -0.237 0.000 1.107 221 N HN 0.488 nan 8.380 nan 0.000 0.559 222 I N 0.208 120.729 120.570 -0.082 0.000 2.474 222 I HA 0.320 4.490 4.170 0.001 0.000 0.294 222 I C 0.542 176.620 176.117 -0.064 0.000 1.005 222 I CA -1.357 59.914 61.300 -0.048 0.000 1.113 222 I CB 2.001 39.984 38.000 -0.029 0.000 1.289 222 I HN -0.147 nan 8.210 nan 0.000 0.436 223 V N 3.135 123.006 119.914 -0.071 0.000 2.498 223 V HA 0.538 4.659 4.120 0.001 0.000 0.279 223 V C -0.471 175.522 176.094 -0.168 0.000 1.048 223 V CA -0.266 61.966 62.300 -0.114 0.000 0.967 223 V CB 0.915 32.676 31.823 -0.102 0.000 0.988 223 V HN 0.836 nan 8.190 nan 0.000 0.473 224 Q N 2.992 122.638 119.800 -0.257 0.000 2.416 224 Q HA 0.800 5.140 4.340 0.001 0.000 0.281 224 Q C -1.370 174.245 176.000 -0.640 0.000 1.067 224 Q CA -0.959 54.614 55.803 -0.383 0.000 0.809 224 Q CB 3.126 31.664 28.738 -0.333 0.000 1.418 224 Q HN 0.985 nan 8.270 nan 0.000 0.411 225 V N -1.403 118.114 119.914 -0.661 0.000 2.638 225 V HA 0.773 4.893 4.120 0.001 0.000 0.306 225 V C -1.146 174.621 176.094 -0.545 0.000 1.052 225 V CA -0.684 61.249 62.300 -0.613 0.000 0.885 225 V CB 0.924 32.564 31.823 -0.304 0.000 0.999 225 V HN 0.689 nan 8.190 nan 0.000 0.424 226 F N 1.099 120.982 119.950 -0.112 0.000 2.593 226 F HA 0.690 5.217 4.527 0.001 0.000 0.320 226 F C 0.369 176.056 175.800 -0.187 0.000 1.060 226 F CA -1.203 56.716 58.000 -0.135 0.000 0.940 226 F CB 2.249 41.195 39.000 -0.090 0.000 1.268 226 F HN 0.372 nan 8.300 nan 0.000 0.475 227 K N 0.944 121.329 120.400 -0.024 0.000 2.087 227 K HA 0.468 4.789 4.320 0.001 0.000 0.255 227 K C -0.929 175.685 176.600 0.023 0.000 0.988 227 K CA -0.967 55.243 56.287 -0.129 0.000 0.915 227 K CB 1.333 33.724 32.500 -0.182 0.000 1.043 227 K HN 0.505 nan 8.250 nan 0.000 0.457 228 K N 1.113 121.548 120.400 0.059 0.000 2.413 228 K HA 0.304 4.625 4.320 0.001 0.000 0.257 228 K C -0.760 175.856 176.600 0.026 0.000 0.946 228 K CA -0.506 55.805 56.287 0.039 0.000 0.823 228 K CB 1.874 34.393 32.500 0.032 0.000 1.109 228 K HN 0.804 nan 8.250 nan 0.000 0.427 229 A N 2.387 125.211 122.820 0.007 0.000 2.603 229 A HA -0.147 4.173 4.320 0.001 0.000 0.228 229 A C 1.463 179.050 177.584 0.005 0.000 1.118 229 A CA 1.214 53.252 52.037 0.001 0.000 0.921 229 A CB -0.117 18.878 19.000 -0.009 0.000 0.938 229 A HN 1.004 nan 8.150 nan 0.000 0.475 230 A N 2.690 125.513 122.820 0.005 0.000 1.940 230 A HA -0.097 4.224 4.320 0.001 0.000 0.221 230 A C -0.028 177.557 177.584 0.001 0.000 1.190 230 A CA 2.060 54.101 52.037 0.006 0.000 0.647 230 A CB -1.372 17.631 19.000 0.004 0.000 0.821 230 A HN 0.852 nan 8.150 nan 0.000 0.457 231 P HA 0.228 nan 4.420 nan 0.000 0.220 231 P C -0.409 176.884 177.300 -0.012 0.000 1.793 231 P CA 0.234 63.331 63.100 -0.006 0.000 0.917 231 P CB -0.005 31.692 31.700 -0.005 0.000 1.755 232 S N 1.566 117.256 115.700 -0.016 0.000 2.536 232 S HA 0.551 5.021 4.470 0.001 0.000 0.298 232 S C -1.782 172.788 174.600 -0.050 0.000 1.083 232 S CA -1.875 56.304 58.200 -0.034 0.000 0.995 232 S CB 1.734 64.914 63.200 -0.034 0.000 1.058 232 S HN -0.075 nan 8.310 nan 0.000 0.488 233 P HA 0.107 nan 4.420 nan 0.000 0.220 233 P C 0.087 177.286 177.300 -0.168 0.000 1.152 233 P CA 0.457 63.492 63.100 -0.108 0.000 0.812 233 P CB -0.012 31.604 31.700 -0.139 0.000 0.792 234 I N 0.379 120.819 120.570 -0.217 0.000 2.396 234 I HA 0.090 4.260 4.170 0.001 0.000 0.292 234 I C 1.936 178.024 176.117 -0.049 0.000 0.999 234 I CA 0.033 61.217 61.300 -0.193 0.000 1.310 234 I CB 0.979 38.843 38.000 -0.227 0.000 1.404 234 I HN -0.139 nan 8.210 nan 0.000 0.496 235 S N 5.701 121.393 115.700 -0.012 0.000 2.355 235 S HA 0.164 4.634 4.470 0.001 0.000 0.216 235 S C 0.555 175.355 174.600 0.334 0.000 1.037 235 S CA 0.795 59.034 58.200 0.065 0.000 0.955 235 S CB -0.012 63.108 63.200 -0.134 0.000 0.877 235 S HN 0.663 nan 8.310 nan 0.000 0.488 236 H N -1.381 117.677 119.070 -0.021 0.000 2.907 236 H HA 0.756 5.312 4.556 0.001 0.000 0.361 236 H C -1.613 173.696 175.328 -0.033 0.000 1.194 236 H CA -1.281 54.754 56.048 -0.022 0.000 1.152 236 H CB 2.136 31.879 29.762 -0.032 0.000 1.867 236 H HN 0.142 nan 8.280 nan 0.000 0.561 237 V N 0.515 120.469 119.914 0.067 0.000 3.048 237 V HA 0.543 4.664 4.120 0.001 0.000 0.303 237 V C -1.048 174.962 176.094 -0.141 0.000 1.214 237 V CA -0.792 61.498 62.300 -0.016 0.000 0.984 237 V CB 1.935 33.756 31.823 -0.003 0.000 1.054 237 V HN 0.912 nan 8.190 nan 0.000 0.430 238 A N 3.295 126.031 122.820 -0.140 0.000 2.318 238 A HA 0.915 5.236 4.320 0.001 0.000 0.317 238 A C -0.639 176.833 177.584 -0.186 0.000 1.159 238 A CA -0.485 51.418 52.037 -0.223 0.000 0.799 238 A CB 1.056 19.944 19.000 -0.187 0.000 1.194 238 A HN 0.833 nan 8.150 nan 0.000 0.479 239 E N 0.773 120.828 120.200 -0.241 0.000 2.343 239 E HA 0.658 5.008 4.350 0.001 0.000 0.270 239 E C -1.613 174.910 176.600 -0.129 0.000 0.895 239 E CA -0.633 55.679 56.400 -0.146 0.000 0.767 239 E CB 2.948 32.587 29.700 -0.102 0.000 1.248 239 E HN 0.601 nan 8.360 nan 0.000 0.440 240 I N 0.823 121.346 120.570 -0.078 0.000 2.571 240 I HA 0.297 4.467 4.170 0.001 0.000 0.289 240 I C -1.234 174.837 176.117 -0.077 0.000 1.115 240 I CA -0.485 60.774 61.300 -0.069 0.000 1.045 240 I CB 1.265 39.251 38.000 -0.022 0.000 1.238 240 I HN 0.371 nan 8.210 nan 0.000 0.424 241 R N 5.177 125.629 120.500 -0.080 0.000 2.248 241 R HA 0.301 4.641 4.340 0.001 0.000 0.337 241 R C -0.311 175.914 176.300 -0.125 0.000 1.106 241 R CA -0.261 55.794 56.100 -0.074 0.000 0.959 241 R CB 0.505 30.781 30.300 -0.040 0.000 1.075 241 R HN 0.681 nan 8.270 nan 0.000 0.480 242 S N 1.364 116.983 115.700 -0.135 0.000 2.452 242 S HA 0.645 5.115 4.470 0.001 0.000 0.284 242 S C -0.172 174.395 174.600 -0.056 0.000 1.171 242 S CA -0.833 57.273 58.200 -0.158 0.000 1.064 242 S CB 1.890 65.014 63.200 -0.125 0.000 0.967 242 S HN 0.579 nan 8.310 nan 0.000 0.484 243 A N 4.309 127.122 122.820 -0.011 0.000 2.408 243 A HA 0.573 4.893 4.320 0.001 0.000 0.295 243 A C -0.229 177.416 177.584 0.101 0.000 1.040 243 A CA -1.006 51.074 52.037 0.070 0.000 0.707 243 A CB 0.795 19.829 19.000 0.057 0.000 1.235 243 A HN 0.937 nan 8.150 nan 0.000 0.418 244 L N 2.861 124.171 121.223 0.144 0.000 2.698 244 L HA 0.006 4.346 4.340 0.001 0.000 0.272 244 L C 1.701 178.635 176.870 0.106 0.000 1.154 244 L CA 0.160 55.078 54.840 0.130 0.000 0.964 244 L CB -0.266 41.874 42.059 0.135 0.000 1.272 244 L HN 1.117 nan 8.230 nan 0.000 0.483 245 E N 3.454 123.714 120.200 0.101 0.000 2.245 245 E HA -0.258 4.092 4.350 0.001 0.000 0.217 245 E C -0.190 176.466 176.600 0.094 0.000 1.069 245 E CA 1.893 58.349 56.400 0.095 0.000 0.877 245 E CB 0.239 29.996 29.700 0.096 0.000 0.757 245 E HN 0.638 nan 8.360 nan 0.000 0.464 246 K N -1.892 118.563 120.400 0.091 0.000 2.575 246 K HA 0.483 4.803 4.320 0.001 0.000 0.255 246 K C -1.254 175.392 176.600 0.077 0.000 0.953 246 K CA 0.017 56.358 56.287 0.090 0.000 0.840 246 K CB 2.228 34.783 32.500 0.093 0.000 1.303 246 K HN 0.224 nan 8.250 nan 0.000 0.438 247 G N 1.187 110.029 108.800 0.070 0.000 3.448 247 G HA2 0.007 3.968 3.960 0.001 0.000 0.685 247 G HA3 0.007 3.968 3.960 0.001 0.000 0.685 247 G C 0.185 175.103 174.900 0.030 0.000 1.151 247 G CA -0.085 45.043 45.100 0.047 0.000 1.023 247 G HN 0.749 nan 8.290 nan 0.000 0.499 248 S N 0.348 116.048 115.700 0.000 0.000 2.868 248 S HA -0.321 4.149 4.470 0.001 0.000 0.270 248 S C 1.397 175.988 174.600 -0.016 0.000 1.300 248 S CA 2.412 60.587 58.200 -0.042 0.000 1.362 248 S CB -0.727 62.425 63.200 -0.080 0.000 1.685 248 S HN 2.129 nan 8.310 nan 0.000 0.682 249 R N 0.324 120.853 120.500 0.048 0.000 1.969 249 R HA -0.140 4.200 4.340 0.001 0.000 0.201 249 R C 0.232 176.626 176.300 0.156 0.000 0.662 249 R CA 1.089 57.249 56.100 0.100 0.000 0.536 249 R CB -1.656 28.698 30.300 0.089 0.000 1.692 249 R HN 0.509 nan 8.270 nan 0.000 0.553 250 F N 1.581 121.554 119.950 0.039 0.000 2.450 250 F HA 0.141 4.668 4.527 0.001 0.000 0.339 250 F C 1.461 177.285 175.800 0.040 0.000 1.146 250 F CA -0.391 57.634 58.000 0.042 0.000 1.267 250 F CB 0.591 39.618 39.000 0.045 0.000 1.178 250 F HN 0.281 nan 8.300 nan 0.000 0.585 251 I N 3.264 124.070 120.570 0.394 0.000 3.007 251 I HA 0.046 4.216 4.170 0.001 0.000 0.333 251 I C -0.497 175.632 176.117 0.020 0.000 1.489 251 I CA -0.234 61.150 61.300 0.140 0.000 0.906 251 I CB 0.212 38.292 38.000 0.134 0.000 1.702 251 I HN 0.316 nan 8.210 nan 0.000 0.548 252 S N -0.258 115.333 115.700 -0.182 0.000 2.580 252 S HA 0.456 4.926 4.470 0.001 0.000 0.274 252 S C 0.106 174.616 174.600 -0.149 0.000 1.329 252 S CA -0.324 57.725 58.200 -0.252 0.000 1.036 252 S CB 1.918 64.756 63.200 -0.604 0.000 0.919 252 S HN 0.202 nan 8.310 nan 0.000 0.515 253 T N 2.165 116.667 114.554 -0.086 0.000 2.807 253 T HA 0.485 4.836 4.350 0.001 0.000 0.279 253 T C -0.925 173.752 174.700 -0.039 0.000 0.993 253 T CA -0.597 61.470 62.100 -0.056 0.000 0.970 253 T CB 0.732 69.587 68.868 -0.022 0.000 0.950 253 T HN 0.582 nan 8.240 nan 0.000 0.441 254 L N 4.712 125.910 121.223 -0.042 0.000 2.275 254 L HA 0.533 4.874 4.340 0.001 0.000 0.288 254 L C -0.295 176.571 176.870 -0.007 0.000 1.046 254 L CA 0.089 54.919 54.840 -0.016 0.000 0.805 254 L CB 1.120 43.155 42.059 -0.039 0.000 1.193 254 L HN 0.597 nan 8.230 nan 0.000 0.426 255 Q N 3.886 123.698 119.800 0.021 0.000 2.333 255 Q HA 0.532 4.872 4.340 0.001 0.000 0.265 255 Q C -1.471 174.554 176.000 0.042 0.000 0.989 255 Q CA -0.665 55.151 55.803 0.021 0.000 0.842 255 Q CB 2.262 31.022 28.738 0.036 0.000 1.262 255 Q HN 0.562 nan 8.270 nan 0.000 0.451 256 V N 4.596 124.522 119.914 0.021 0.000 2.266 256 V HA 0.226 4.346 4.120 0.001 0.000 0.271 256 V C 0.061 176.185 176.094 0.050 0.000 1.032 256 V CA -0.523 61.803 62.300 0.042 0.000 0.806 256 V CB 0.917 32.747 31.823 0.012 0.000 1.052 256 V HN 0.690 nan 8.190 nan 0.000 0.449 257 K N 2.745 123.208 120.400 0.106 0.000 2.774 257 K HA 0.570 4.890 4.320 0.001 0.000 0.297 257 K C -0.305 176.381 176.600 0.143 0.000 1.044 257 K CA -0.433 55.929 56.287 0.125 0.000 1.011 257 K CB 0.284 32.900 32.500 0.194 0.000 1.214 257 K HN 0.358 nan 8.250 nan 0.000 0.477 258 L N 0.556 121.887 121.223 0.180 0.000 2.310 258 L HA 0.208 4.548 4.340 0.001 0.000 0.266 258 L C -1.564 175.404 176.870 0.164 0.000 1.432 258 L CA -0.162 54.766 54.840 0.148 0.000 0.696 258 L CB -0.582 41.500 42.059 0.038 0.000 0.898 258 L HN 0.404 nan 8.230 nan 0.000 0.534 259 Y N 1.454 121.757 120.300 0.005 0.000 2.748 259 Y HA 0.364 4.914 4.550 0.001 0.000 0.352 259 Y C 1.640 177.535 175.900 -0.008 0.000 1.274 259 Y CA 1.393 59.497 58.100 0.007 0.000 1.472 259 Y CB 0.020 38.490 38.460 0.017 0.000 1.350 259 Y HN 0.794 nan 8.280 nan 0.000 0.672 260 G N 1.488 110.375 108.800 0.145 0.000 3.129 260 G HA2 -0.198 3.762 3.960 0.001 0.000 0.686 260 G HA3 -0.198 3.762 3.960 0.001 0.000 0.686 260 G C -0.541 174.366 174.900 0.013 0.000 0.989 260 G CA -0.656 44.486 45.100 0.069 0.000 0.810 260 G HN 0.641 nan 8.290 nan 0.000 0.539 261 R N 1.381 121.883 120.500 0.002 0.000 2.607 261 R HA 0.458 4.799 4.340 0.001 0.000 0.261 261 R C 0.699 176.987 176.300 -0.020 0.000 1.051 261 R CA -0.857 55.234 56.100 -0.016 0.000 1.110 261 R CB 0.979 31.277 30.300 -0.003 0.000 1.158 261 R HN 0.732 nan 8.270 nan 0.000 0.543 262 E N 0.411 120.594 120.200 -0.028 0.000 2.694 262 E HA -0.115 4.235 4.350 0.001 0.000 0.250 262 E C 0.459 177.054 176.600 -0.009 0.000 0.963 262 E CA 1.295 57.680 56.400 -0.025 0.000 0.949 262 E CB 0.072 29.764 29.700 -0.014 0.000 0.911 262 E HN 0.737 nan 8.360 nan 0.000 0.500 263 G N 3.430 112.225 108.800 -0.007 0.000 4.244 263 G HA2 -0.348 3.613 3.960 0.001 0.000 0.222 263 G HA3 -0.348 3.613 3.960 0.001 0.000 0.222 263 G C 0.063 174.966 174.900 0.006 0.000 1.665 263 G CA -0.002 45.099 45.100 0.002 0.000 1.315 263 G HN 1.227 nan 8.290 nan 0.000 0.637 264 S N 1.814 117.519 115.700 0.009 0.000 3.959 264 S HA 0.289 4.759 4.470 0.001 0.000 0.473 264 S C 0.852 175.462 174.600 0.017 0.000 1.041 264 S CA 1.014 59.223 58.200 0.015 0.000 1.364 264 S CB -0.554 62.658 63.200 0.020 0.000 0.851 264 S HN 2.298 nan 8.310 nan 0.000 0.543 265 S N 2.735 118.445 115.700 0.016 0.000 2.571 265 S HA 0.331 4.801 4.470 0.001 0.000 0.298 265 S C 0.888 175.500 174.600 0.021 0.000 1.280 265 S CA -0.399 57.810 58.200 0.016 0.000 1.052 265 S CB -0.253 62.956 63.200 0.015 0.000 0.799 265 S HN 2.503 nan 8.310 nan 0.000 0.501 266 A N 1.853 124.685 122.820 0.019 0.000 2.740 266 A HA -0.119 4.201 4.320 0.001 0.000 0.291 266 A C 0.311 177.914 177.584 0.032 0.000 1.432 266 A CA 0.206 52.256 52.037 0.022 0.000 0.728 266 A CB -1.990 17.023 19.000 0.022 0.000 1.091 266 A HN 0.825 nan 8.150 nan 0.000 0.431 267 R N 1.006 121.522 120.500 0.025 0.000 2.308 267 R HA 0.292 4.633 4.340 0.001 0.000 0.325 267 R C 0.745 177.068 176.300 0.038 0.000 1.161 267 R CA 0.684 56.804 56.100 0.034 0.000 1.022 267 R CB 0.639 30.941 30.300 0.003 0.000 1.091 267 R HN 0.743 nan 8.270 nan 0.000 0.497 268 T N 2.027 116.615 114.554 0.057 0.000 2.824 268 T HA 0.493 4.843 4.350 0.001 0.000 0.277 268 T C 0.255 174.995 174.700 0.066 0.000 0.975 268 T CA -0.472 61.648 62.100 0.035 0.000 0.966 268 T CB 0.697 69.552 68.868 -0.022 0.000 1.054 268 T HN 0.414 nan 8.240 nan 0.000 0.533 269 I N 2.793 123.393 120.570 0.049 0.000 2.476 269 I HA 0.388 4.558 4.170 0.001 0.000 0.281 269 I C -0.153 176.002 176.117 0.063 0.000 1.040 269 I CA -0.739 60.611 61.300 0.084 0.000 1.094 269 I CB 1.611 39.659 38.000 0.079 0.000 1.219 269 I HN 0.597 nan 8.210 nan 0.000 0.450 270 K N 4.106 124.550 120.400 0.073 0.000 2.306 270 K HA 0.921 5.241 4.320 0.001 0.000 0.236 270 K C -0.699 175.962 176.600 0.102 0.000 1.013 270 K CA -0.695 55.613 56.287 0.035 0.000 0.857 270 K CB 2.606 35.039 32.500 -0.111 0.000 1.214 270 K HN 0.568 nan 8.250 nan 0.000 0.449 271 A N 0.407 123.271 122.820 0.073 0.000 2.430 271 A HA 0.641 4.961 4.320 0.001 0.000 0.300 271 A C -1.051 176.577 177.584 0.073 0.000 1.124 271 A CA -0.607 51.482 52.037 0.085 0.000 0.766 271 A CB 1.794 20.847 19.000 0.090 0.000 1.328 271 A HN 0.499 nan 8.150 nan 0.000 0.424 272 T N 1.877 116.480 114.554 0.081 0.000 2.772 272 T HA 0.578 4.928 4.350 0.001 0.000 0.288 272 T C -0.689 174.057 174.700 0.076 0.000 0.994 272 T CA -0.026 62.115 62.100 0.067 0.000 0.951 272 T CB -0.048 68.859 68.868 0.064 0.000 0.933 272 T HN 0.418 nan 8.240 nan 0.000 0.447 273 L N 5.632 126.895 121.223 0.067 0.000 2.346 273 L HA 0.518 4.858 4.340 0.001 0.000 0.274 273 L C -2.095 174.828 176.870 0.088 0.000 1.007 273 L CA -2.818 52.079 54.840 0.095 0.000 0.818 273 L CB 2.064 44.177 42.059 0.091 0.000 1.284 273 L HN 0.343 nan 8.230 nan 0.000 0.424 274 P HA -0.064 nan 4.420 nan 0.000 0.258 274 P C -0.645 176.875 177.300 0.367 0.000 1.187 274 P CA 0.585 63.792 63.100 0.177 0.000 0.767 274 P CB 0.237 32.006 31.700 0.115 0.000 0.770 275 Y N 0.243 120.577 120.300 0.057 0.000 4.911 275 Y HA -0.176 4.374 4.550 0.001 0.000 0.278 275 Y C 0.825 176.768 175.900 0.073 0.000 0.869 275 Y CA 0.120 58.280 58.100 0.099 0.000 1.736 275 Y CB -2.051 36.498 38.460 0.147 0.000 1.151 275 Y HN 0.361 nan 8.280 nan 0.000 0.489 276 I N 2.322 122.968 120.570 0.127 0.000 2.281 276 I HA 0.047 4.218 4.170 0.001 0.000 0.293 276 I C 1.147 177.281 176.117 0.029 0.000 1.085 276 I CA -0.113 61.215 61.300 0.047 0.000 1.257 276 I CB 0.795 38.791 38.000 -0.006 0.000 1.430 276 I HN 0.085 nan 8.210 nan 0.000 0.489 277 K N 4.728 125.149 120.400 0.035 0.000 2.589 277 K HA -0.117 4.203 4.320 0.001 0.000 0.195 277 K C 0.578 177.187 176.600 0.016 0.000 1.040 277 K CA 0.703 57.004 56.287 0.023 0.000 0.950 277 K CB 0.091 32.611 32.500 0.034 0.000 0.781 277 K HN 0.626 nan 8.250 nan 0.000 0.486 278 Q N -0.734 119.066 119.800 -0.000 0.000 2.870 278 Q HA 0.139 4.479 4.340 0.001 0.000 0.366 278 Q C -1.381 174.616 176.000 -0.005 0.000 0.738 278 Q CA -0.787 55.018 55.803 0.002 0.000 0.870 278 Q CB 1.627 30.357 28.738 -0.013 0.000 1.237 278 Q HN -0.039 nan 8.270 nan 0.000 0.497 279 D N 0.245 120.639 120.400 -0.010 0.000 2.442 279 D HA 0.575 5.215 4.640 0.001 0.000 0.254 279 D C -0.663 175.594 176.300 -0.072 0.000 1.069 279 D CA -0.282 53.712 54.000 -0.010 0.000 1.017 279 D CB 1.422 42.234 40.800 0.020 0.000 1.172 279 D HN 0.380 nan 8.370 nan 0.000 0.561 280 I N 1.519 122.058 120.570 -0.052 0.000 2.571 280 I HA 0.136 4.307 4.170 0.001 0.000 0.286 280 I C -2.557 173.555 176.117 -0.009 0.000 1.134 280 I CA -1.956 59.305 61.300 -0.064 0.000 1.052 280 I CB 2.875 40.812 38.000 -0.104 0.000 1.237 280 I HN -0.079 nan 8.210 nan 0.000 0.435 281 P HA 0.059 nan 4.420 nan 0.000 0.262 281 P C 1.292 178.644 177.300 0.087 0.000 1.199 281 P CA 0.054 63.181 63.100 0.045 0.000 0.763 281 P CB 0.564 32.301 31.700 0.061 0.000 0.790 282 I N 2.041 122.681 120.570 0.117 0.000 2.182 282 I HA -0.348 3.822 4.170 0.001 0.000 0.248 282 I C 1.611 177.921 176.117 0.323 0.000 1.073 282 I CA 1.768 63.187 61.300 0.200 0.000 1.335 282 I CB -1.535 36.654 38.000 0.314 0.000 1.031 282 I HN 0.021 nan 8.210 nan 0.000 0.420 283 V N 2.074 122.146 119.914 0.264 0.000 2.233 283 V HA -0.348 3.773 4.120 0.001 0.000 0.252 283 V C 2.641 178.869 176.094 0.222 0.000 1.063 283 V CA 2.820 65.263 62.300 0.240 0.000 1.032 283 V CB -0.917 30.985 31.823 0.133 0.000 0.645 283 V HN 0.503 nan 8.190 nan 0.000 0.446 284 I N -0.514 120.145 120.570 0.148 0.000 2.248 284 I HA -0.286 3.885 4.170 0.001 0.000 0.248 284 I C 2.318 178.466 176.117 0.051 0.000 1.107 284 I CA 1.771 63.138 61.300 0.111 0.000 1.373 284 I CB -0.409 37.676 38.000 0.142 0.000 1.055 284 I HN 0.304 nan 8.210 nan 0.000 0.418 285 I N 0.218 120.791 120.570 0.004 0.000 2.090 285 I HA -0.307 3.863 4.170 0.001 0.000 0.236 285 I C 2.479 178.515 176.117 -0.136 0.000 1.064 285 I CA 1.724 62.923 61.300 -0.168 0.000 1.324 285 I CB -0.589 37.215 38.000 -0.328 0.000 1.044 285 I HN 0.033 nan 8.210 nan 0.000 0.399 286 F N 0.899 120.810 119.950 -0.065 0.000 2.085 286 F HA -0.320 4.208 4.527 0.001 0.000 0.299 286 F C 2.805 178.578 175.800 -0.045 0.000 1.096 286 F CA 1.939 59.907 58.000 -0.053 0.000 1.227 286 F CB -0.592 38.402 39.000 -0.009 0.000 0.983 286 F HN -0.034 nan 8.300 nan 0.000 0.482 287 R N 0.306 120.915 120.500 0.182 0.000 2.073 287 R HA -0.094 4.246 4.340 0.001 0.000 0.234 287 R C 2.133 178.453 176.300 0.034 0.000 1.134 287 R CA 1.235 57.391 56.100 0.094 0.000 0.952 287 R CB -0.528 29.819 30.300 0.078 0.000 0.850 287 R HN 0.224 nan 8.270 nan 0.000 0.433 288 A N 0.013 122.830 122.820 -0.006 0.000 2.239 288 A HA 0.020 4.340 4.320 0.001 0.000 0.209 288 A C 1.509 179.051 177.584 -0.071 0.000 1.171 288 A CA 0.669 52.678 52.037 -0.047 0.000 0.768 288 A CB -0.145 18.801 19.000 -0.090 0.000 0.790 288 A HN 0.334 nan 8.150 nan 0.000 0.478 289 L N -2.417 118.773 121.223 -0.055 0.000 2.766 289 L HA 0.290 4.631 4.340 0.001 0.000 0.242 289 L C 1.646 178.519 176.870 0.004 0.000 1.136 289 L CA 0.607 55.416 54.840 -0.052 0.000 0.933 289 L CB 0.263 42.266 42.059 -0.094 0.000 1.241 289 L HN 0.535 nan 8.230 nan 0.000 0.522 290 G N 0.867 109.681 108.800 0.023 0.000 2.349 290 G HA2 -0.246 3.715 3.960 0.001 0.000 0.213 290 G HA3 -0.246 3.715 3.960 0.001 0.000 0.213 290 G C 0.383 175.321 174.900 0.063 0.000 1.044 290 G CA -0.422 44.702 45.100 0.039 0.000 0.633 290 G HN 0.160 nan 8.290 nan 0.000 0.506 291 I N 2.683 123.310 120.570 0.094 0.000 2.577 291 I HA 0.197 4.368 4.170 0.001 0.000 0.299 291 I C 1.585 177.766 176.117 0.108 0.000 1.157 291 I CA 0.249 61.627 61.300 0.130 0.000 1.418 291 I CB 0.095 38.220 38.000 0.207 0.000 1.467 291 I HN 0.217 nan 8.210 nan 0.000 0.624 292 I N 6.627 127.239 120.570 0.069 0.000 3.081 292 I HA 0.085 4.255 4.170 0.001 0.000 0.274 292 I C -1.491 174.646 176.117 0.035 0.000 1.178 292 I CA -0.093 61.236 61.300 0.049 0.000 1.460 292 I CB -0.445 37.574 38.000 0.031 0.000 1.137 292 I HN 0.394 nan 8.210 nan 0.000 0.443 293 P HA 0.179 nan 4.420 nan 0.000 0.282 293 P C -0.972 176.332 177.300 0.006 0.000 1.249 293 P CA -0.187 62.924 63.100 0.019 0.000 0.806 293 P CB 1.082 32.790 31.700 0.013 0.000 0.984 294 D N 0.991 121.398 120.400 0.012 0.000 2.232 294 D HA 0.124 4.764 4.640 0.001 0.000 0.242 294 D C 1.833 178.120 176.300 -0.022 0.000 1.330 294 D CA 1.118 55.115 54.000 -0.004 0.000 0.954 294 D CB -0.611 40.201 40.800 0.020 0.000 1.202 294 D HN 0.676 nan 8.370 nan 0.000 0.530 295 G N -0.379 108.403 108.800 -0.030 0.000 2.542 295 G HA2 -0.467 3.494 3.960 0.001 0.000 0.251 295 G HA3 -0.467 3.494 3.960 0.001 0.000 0.251 295 G C 1.033 175.900 174.900 -0.055 0.000 1.016 295 G CA 1.254 46.339 45.100 -0.026 0.000 0.646 295 G HN 0.592 nan 8.290 nan 0.000 0.553 296 E N -0.299 119.859 120.200 -0.069 0.000 2.400 296 E HA 0.297 4.647 4.350 0.001 0.000 0.195 296 E C 2.488 178.995 176.600 -0.155 0.000 1.012 296 E CA 0.244 56.579 56.400 -0.108 0.000 0.875 296 E CB 0.003 29.678 29.700 -0.041 0.000 0.859 296 E HN 0.661 nan 8.360 nan 0.000 0.498 297 I N 0.536 121.015 120.570 -0.151 0.000 2.385 297 I HA -0.157 4.013 4.170 0.001 0.000 0.244 297 I C 1.676 177.600 176.117 -0.321 0.000 1.089 297 I CA 0.253 61.359 61.300 -0.324 0.000 1.410 297 I CB 0.021 37.790 38.000 -0.384 0.000 1.117 297 I HN 0.171 nan 8.210 nan 0.000 0.429 298 L N 0.809 121.922 121.223 -0.184 0.000 2.447 298 L HA -0.169 4.172 4.340 0.001 0.000 0.225 298 L C 2.393 179.221 176.870 -0.070 0.000 1.148 298 L CA 1.481 56.264 54.840 -0.095 0.000 0.808 298 L CB -1.407 40.630 42.059 -0.035 0.000 0.928 298 L HN 0.350 nan 8.230 nan 0.000 0.448 299 E N -0.138 119.967 120.200 -0.159 0.000 2.017 299 E HA -0.195 4.156 4.350 0.001 0.000 0.193 299 E C 2.059 178.507 176.600 -0.254 0.000 0.997 299 E CA 1.160 57.410 56.400 -0.249 0.000 0.804 299 E CB -0.102 29.330 29.700 -0.446 0.000 0.757 299 E HN 0.552 nan 8.360 nan 0.000 0.448 300 H N -0.348 118.623 119.070 -0.165 0.000 2.521 300 H HA 0.003 4.559 4.556 0.001 0.000 0.286 300 H C 2.154 177.679 175.328 0.329 0.000 1.034 300 H CA 0.742 56.742 56.048 -0.080 0.000 1.278 300 H CB 0.237 29.901 29.762 -0.164 0.000 1.386 300 H HN 0.203 nan 8.280 nan 0.000 0.567 301 I N -0.782 119.983 120.570 0.326 0.000 2.729 301 I HA -0.042 4.128 4.170 0.001 0.000 0.256 301 I C 0.871 177.239 176.117 0.418 0.000 1.115 301 I CA 0.262 61.780 61.300 0.364 0.000 1.446 301 I CB 0.586 38.675 38.000 0.149 0.000 1.176 301 I HN 0.038 nan 8.210 nan 0.000 0.446 302 C N 1.309 120.804 119.300 0.325 0.000 2.281 302 C HA 0.323 4.784 4.460 0.001 0.000 0.325 302 C C 0.317 175.581 174.990 0.455 0.000 1.282 302 C CA -0.352 58.853 59.018 0.311 0.000 1.640 302 C CB -0.660 27.162 27.740 0.136 0.000 2.288 302 C HN 0.377 nan 8.230 nan 0.000 0.507 303 Y N 3.692 124.045 120.300 0.088 0.000 2.897 303 Y HA 0.335 4.886 4.550 0.001 0.000 0.372 303 Y C 0.634 176.555 175.900 0.036 0.000 1.034 303 Y CA -0.534 57.614 58.100 0.079 0.000 1.627 303 Y CB 0.085 38.666 38.460 0.201 0.000 1.474 303 Y HN 0.639 nan 8.280 nan 0.000 0.517 304 D N 0.143 120.640 120.400 0.161 0.000 2.301 304 D HA 0.008 4.648 4.640 0.001 0.000 0.187 304 D C -0.130 176.237 176.300 0.111 0.000 1.264 304 D CA -0.091 53.981 54.000 0.120 0.000 0.849 304 D CB 1.547 42.417 40.800 0.115 0.000 1.828 304 D HN 0.034 nan 8.370 nan 0.000 0.526 305 V N 3.092 123.078 119.914 0.121 0.000 3.541 305 V HA -0.002 4.119 4.120 0.001 0.000 0.272 305 V C 1.481 177.656 176.094 0.134 0.000 1.215 305 V CA 0.690 63.068 62.300 0.130 0.000 1.176 305 V CB -0.646 31.265 31.823 0.147 0.000 0.854 305 V HN 0.452 nan 8.190 nan 0.000 0.496 306 N N -0.281 118.501 118.700 0.137 0.000 2.205 306 N HA 0.025 4.765 4.740 0.001 0.000 0.201 306 N C 0.741 176.378 175.510 0.212 0.000 1.128 306 N CA 0.106 53.260 53.050 0.173 0.000 0.867 306 N CB 0.343 38.915 38.487 0.142 0.000 0.996 306 N HN 0.382 nan 8.380 nan 0.000 0.503 307 D N 1.794 122.269 120.400 0.125 0.000 2.845 307 D HA -0.031 4.609 4.640 0.001 0.000 0.235 307 D C 1.392 177.678 176.300 -0.023 0.000 1.158 307 D CA -0.592 53.418 54.000 0.015 0.000 0.990 307 D CB -0.239 40.555 40.800 -0.010 0.000 1.094 307 D HN 0.319 nan 8.370 nan 0.000 0.486 308 W N 1.889 123.204 121.300 0.024 0.000 2.387 308 W HA -0.164 4.497 4.660 0.001 0.000 0.272 308 W C 1.060 177.587 176.519 0.015 0.000 1.224 308 W CA 0.080 57.437 57.345 0.019 0.000 1.210 308 W CB -0.650 28.819 29.460 0.015 0.000 1.125 308 W HN 0.239 nan 8.180 nan 0.000 0.572 309 Q N 0.830 119.977 119.800 -1.089 0.000 1.942 309 Q HA -0.244 4.096 4.340 0.001 0.000 0.203 309 Q C 2.505 178.262 176.000 -0.406 0.000 0.987 309 Q CA 2.340 57.550 55.803 -0.988 0.000 0.844 309 Q CB -0.686 27.561 28.738 -0.819 0.000 0.911 309 Q HN 0.328 nan 8.270 nan 0.000 0.423 310 M N 0.719 120.156 119.600 -0.271 0.000 2.073 310 M HA -0.228 4.252 4.480 0.001 0.000 0.258 310 M C 2.118 178.371 176.300 -0.078 0.000 1.070 310 M CA 1.511 56.728 55.300 -0.138 0.000 1.103 310 M CB -0.141 32.404 32.600 -0.090 0.000 1.321 310 M HN 0.188 nan 8.290 nan 0.000 0.405 311 L N -0.018 121.178 121.223 -0.044 0.000 1.997 311 L HA -0.285 4.055 4.340 0.001 0.000 0.216 311 L C 2.479 179.362 176.870 0.021 0.000 1.074 311 L CA 1.963 56.813 54.840 0.016 0.000 0.763 311 L CB -0.906 41.196 42.059 0.071 0.000 0.890 311 L HN 0.372 nan 8.230 nan 0.000 0.434 312 E N 0.137 120.353 120.200 0.028 0.000 2.114 312 E HA -0.270 4.080 4.350 0.001 0.000 0.199 312 E C 2.208 178.814 176.600 0.010 0.000 1.008 312 E CA 1.779 58.211 56.400 0.055 0.000 0.810 312 E CB -0.152 29.599 29.700 0.085 0.000 0.739 312 E HN 0.328 nan 8.360 nan 0.000 0.456 313 M N -0.474 119.106 119.600 -0.033 0.000 2.117 313 M HA -0.150 4.330 4.480 0.001 0.000 0.262 313 M C 2.260 178.555 176.300 -0.008 0.000 1.065 313 M CA 1.241 56.523 55.300 -0.031 0.000 1.114 313 M CB -0.365 32.200 32.600 -0.058 0.000 1.361 313 M HN 0.175 nan 8.290 nan 0.000 0.408 314 L N -0.079 121.142 121.223 -0.003 0.000 2.265 314 L HA -0.188 4.153 4.340 0.001 0.000 0.215 314 L C 2.410 179.288 176.870 0.014 0.000 1.117 314 L CA 0.876 55.720 54.840 0.008 0.000 0.782 314 L CB -0.595 41.467 42.059 0.006 0.000 0.914 314 L HN 0.280 nan 8.230 nan 0.000 0.441 315 K N 0.462 120.872 120.400 0.017 0.000 1.987 315 K HA -0.188 4.132 4.320 0.001 0.000 0.216 315 K C -0.334 176.275 176.600 0.016 0.000 1.051 315 K CA 1.885 58.183 56.287 0.018 0.000 0.942 315 K CB -1.458 31.057 32.500 0.024 0.000 0.722 315 K HN 0.304 nan 8.250 nan 0.000 0.444 316 P HA -0.196 nan 4.420 nan 0.000 0.218 316 P C 1.543 178.857 177.300 0.023 0.000 1.146 316 P CA 1.300 64.409 63.100 0.015 0.000 0.813 316 P CB -0.120 31.589 31.700 0.014 0.000 0.778 317 C N -0.438 118.878 119.300 0.027 0.000 2.440 317 C HA -0.048 4.413 4.460 0.001 0.000 0.278 317 C C 2.856 177.876 174.990 0.050 0.000 1.295 317 C CA 0.502 59.543 59.018 0.038 0.000 1.738 317 C CB -1.561 26.204 27.740 0.042 0.000 1.987 317 C HN 0.062 nan 8.230 nan 0.000 0.492 318 V N 0.560 120.500 119.914 0.043 0.000 2.490 318 V HA -0.187 3.933 4.120 0.001 0.000 0.250 318 V C 2.274 178.423 176.094 0.091 0.000 1.061 318 V CA 2.118 64.453 62.300 0.058 0.000 1.064 318 V CB -0.718 31.129 31.823 0.039 0.000 0.670 318 V HN 0.607 nan 8.190 nan 0.000 0.461 319 E N -0.316 119.921 120.200 0.061 0.000 2.216 319 E HA -0.193 4.157 4.350 0.001 0.000 0.192 319 E C 1.884 178.548 176.600 0.107 0.000 0.988 319 E CA 1.001 57.440 56.400 0.064 0.000 0.834 319 E CB -0.104 29.596 29.700 0.000 0.000 0.772 319 E HN 0.578 nan 8.360 nan 0.000 0.479 320 D N 0.062 120.509 120.400 0.078 0.000 2.097 320 D HA -0.104 4.536 4.640 0.001 0.000 0.195 320 D C 1.857 178.214 176.300 0.095 0.000 0.989 320 D CA 1.447 55.489 54.000 0.070 0.000 0.827 320 D CB -0.227 40.600 40.800 0.044 0.000 0.966 320 D HN 0.194 nan 8.370 nan 0.000 0.456 321 G N -1.288 107.577 108.800 0.109 0.000 2.985 321 G HA2 -0.130 3.830 3.960 0.001 0.000 0.209 321 G HA3 -0.130 3.830 3.960 0.001 0.000 0.209 321 G C 1.129 176.086 174.900 0.094 0.000 1.165 321 G CA -0.172 44.989 45.100 0.100 0.000 0.776 321 G HN 0.268 nan 8.290 nan 0.000 0.541 322 F N 1.900 121.852 119.950 0.004 0.000 2.184 322 F HA -0.198 4.329 4.527 0.001 0.000 0.301 322 F C 2.231 178.022 175.800 -0.015 0.000 1.076 322 F CA 1.353 59.351 58.000 -0.004 0.000 1.295 322 F CB -0.005 38.990 39.000 -0.008 0.000 1.026 322 F HN 0.028 nan 8.300 nan 0.000 0.494 323 V N 0.802 120.620 119.914 -0.160 0.000 3.186 323 V HA -0.124 3.997 4.120 0.001 0.000 0.270 323 V C 1.021 176.956 176.094 -0.266 0.000 1.149 323 V CA 0.808 62.953 62.300 -0.258 0.000 1.160 323 V CB -1.149 30.588 31.823 -0.144 0.000 0.758 323 V HN 0.169 nan 8.190 nan 0.000 0.516 324 I N -0.023 120.423 120.570 -0.208 0.000 2.465 324 I HA 0.369 4.539 4.170 0.001 0.000 0.291 324 I C 0.401 176.433 176.117 -0.141 0.000 1.014 324 I CA -0.259 60.960 61.300 -0.135 0.000 1.093 324 I CB 2.170 40.153 38.000 -0.030 0.000 1.267 324 I HN -0.049 nan 8.210 nan 0.000 0.431 325 Q N 3.496 123.220 119.800 -0.127 0.000 2.140 325 Q HA 0.163 4.503 4.340 0.001 0.000 0.227 325 Q C -1.175 174.798 176.000 -0.046 0.000 0.798 325 Q CA 0.103 55.845 55.803 -0.101 0.000 0.987 325 Q CB 0.701 29.353 28.738 -0.143 0.000 1.161 325 Q HN 0.741 nan 8.270 nan 0.000 0.480 326 D N -2.478 117.904 120.400 -0.030 0.000 2.736 326 D HA 0.126 4.766 4.640 0.001 0.000 0.223 326 D C 0.083 176.383 176.300 0.001 0.000 1.231 326 D CA -0.577 53.416 54.000 -0.011 0.000 0.818 326 D CB 0.865 41.656 40.800 -0.015 0.000 1.587 326 D HN -0.043 nan 8.370 nan 0.000 0.463 327 R N 0.671 121.175 120.500 0.007 0.000 2.140 327 R HA -0.234 4.106 4.340 0.001 0.000 0.250 327 R C 1.639 177.942 176.300 0.005 0.000 1.150 327 R CA 1.904 58.008 56.100 0.007 0.000 0.966 327 R CB 0.019 30.323 30.300 0.007 0.000 0.869 327 R HN 0.590 nan 8.270 nan 0.000 0.445 328 E N -0.791 119.412 120.200 0.004 0.000 2.077 328 E HA -0.159 4.192 4.350 0.001 0.000 0.193 328 E C 1.742 178.350 176.600 0.014 0.000 0.989 328 E CA 1.738 58.142 56.400 0.007 0.000 0.800 328 E CB -0.004 29.699 29.700 0.005 0.000 0.746 328 E HN 0.376 nan 8.360 nan 0.000 0.452 329 T N 0.463 115.023 114.554 0.009 0.000 2.777 329 T HA -0.094 4.257 4.350 0.001 0.000 0.266 329 T C 1.766 176.496 174.700 0.050 0.000 1.040 329 T CA 1.264 63.373 62.100 0.015 0.000 1.141 329 T CB -0.153 68.706 68.868 -0.016 0.000 0.868 329 T HN 0.278 nan 8.240 nan 0.000 0.444 330 A N 1.219 124.065 122.820 0.043 0.000 1.858 330 A HA -0.024 4.297 4.320 0.001 0.000 0.216 330 A C 2.178 179.793 177.584 0.052 0.000 1.190 330 A CA 1.267 53.345 52.037 0.069 0.000 0.617 330 A CB -1.010 18.013 19.000 0.038 0.000 0.827 330 A HN 0.387 nan 8.150 nan 0.000 0.443 331 L N 0.317 121.547 121.223 0.011 0.000 2.129 331 L HA -0.210 4.131 4.340 0.001 0.000 0.212 331 L C 1.967 178.841 176.870 0.008 0.000 1.087 331 L CA 2.500 57.329 54.840 -0.018 0.000 0.757 331 L CB -0.723 41.324 42.059 -0.019 0.000 0.896 331 L HN 0.622 nan 8.230 nan 0.000 0.434 332 D N -1.062 119.369 120.400 0.051 0.000 2.077 332 D HA -0.257 4.384 4.640 0.001 0.000 0.197 332 D C 0.903 177.283 176.300 0.134 0.000 0.983 332 D CA 0.530 54.579 54.000 0.082 0.000 0.841 332 D CB -0.225 40.626 40.800 0.085 0.000 0.992 332 D HN 0.091 nan 8.370 nan 0.000 0.450 333 F N 1.365 121.309 119.950 -0.011 0.000 2.411 333 F HA 0.087 4.615 4.527 0.001 0.000 0.305 333 F C -0.294 175.498 175.800 -0.013 0.000 1.244 333 F CA 0.215 58.210 58.000 -0.008 0.000 0.927 333 F CB -0.543 38.447 39.000 -0.016 0.000 1.229 333 F HN 0.106 nan 8.300 nan 0.000 0.612 334 I N 4.380 124.886 120.570 -0.107 0.000 2.677 334 I HA 0.035 4.205 4.170 0.001 0.000 0.322 334 I C 1.114 177.217 176.117 -0.024 0.000 1.504 334 I CA -0.062 61.124 61.300 -0.191 0.000 0.791 334 I CB 0.122 38.029 38.000 -0.156 0.000 1.924 334 I HN 0.426 nan 8.210 nan 0.000 0.595 335 G N 1.994 110.801 108.800 0.012 0.000 3.180 335 G HA2 0.109 4.069 3.960 0.001 0.000 0.246 335 G HA3 0.109 4.069 3.960 0.001 0.000 0.246 335 G C 0.765 175.723 174.900 0.096 0.000 0.939 335 G CA 0.313 45.474 45.100 0.103 0.000 1.920 335 G HN 0.365 nan 8.290 nan 0.000 0.612 346 E N -0.393 119.830 120.200 0.039 0.000 5.006 346 E HA -0.404 3.946 4.350 0.001 0.000 0.214 346 E C 1.006 177.632 176.600 0.042 0.000 0.970 346 E CA 2.359 58.779 56.400 0.035 0.000 1.705 346 E CB -0.921 28.794 29.700 0.025 0.000 1.789 346 E HN 0.674 nan 8.360 nan 0.000 0.384 347 K N 1.192 121.618 120.400 0.043 0.000 1.984 347 K HA -0.114 4.207 4.320 0.001 0.000 0.209 347 K C 2.166 178.815 176.600 0.081 0.000 1.046 347 K CA 1.638 57.952 56.287 0.045 0.000 0.934 347 K CB -0.387 32.130 32.500 0.028 0.000 0.717 347 K HN 0.250 nan 8.250 nan 0.000 0.438 348 R N 1.405 121.963 120.500 0.097 0.000 2.070 348 R HA -0.014 4.326 4.340 0.001 0.000 0.233 348 R C 2.486 178.875 176.300 0.149 0.000 1.137 348 R CA 1.622 57.822 56.100 0.167 0.000 0.945 348 R CB -1.229 29.160 30.300 0.148 0.000 0.845 348 R HN 0.148 nan 8.270 nan 0.000 0.430 349 I N 1.436 122.060 120.570 0.089 0.000 2.290 349 I HA -0.337 3.833 4.170 0.001 0.000 0.253 349 I C 2.746 178.892 176.117 0.049 0.000 1.112 349 I CA 1.637 62.971 61.300 0.056 0.000 1.377 349 I CB -0.481 37.544 38.000 0.041 0.000 1.060 349 I HN 0.291 nan 8.210 nan 0.000 0.428 350 Q N 0.705 120.549 119.800 0.073 0.000 2.033 350 Q HA -0.241 4.100 4.340 0.001 0.000 0.196 350 Q C 2.179 178.238 176.000 0.099 0.000 0.970 350 Q CA 1.601 57.445 55.803 0.069 0.000 0.828 350 Q CB -0.840 27.940 28.738 0.069 0.000 0.895 350 Q HN 0.517 nan 8.270 nan 0.000 0.440 351 Y N 0.702 121.003 120.300 0.001 0.000 2.133 351 Y HA -0.332 4.218 4.550 0.001 0.000 0.279 351 Y C 1.945 177.838 175.900 -0.011 0.000 1.209 351 Y CA 2.263 60.362 58.100 -0.001 0.000 1.152 351 Y CB -0.971 37.497 38.460 0.013 0.000 0.961 351 Y HN 0.203 nan 8.280 nan 0.000 0.512 352 A N -0.237 122.461 122.820 -0.203 0.000 1.929 352 A HA -0.132 4.188 4.320 0.001 0.000 0.216 352 A C 2.336 179.813 177.584 -0.180 0.000 1.176 352 A CA 1.436 53.293 52.037 -0.299 0.000 0.628 352 A CB -0.676 18.208 19.000 -0.194 0.000 0.816 352 A HN 0.487 nan 8.150 nan 0.000 0.444 353 K N -0.269 120.078 120.400 -0.089 0.000 2.209 353 K HA -0.173 4.147 4.320 0.001 0.000 0.204 353 K C 1.090 177.663 176.600 -0.045 0.000 1.048 353 K CA 1.540 57.794 56.287 -0.055 0.000 0.940 353 K CB -0.097 32.392 32.500 -0.019 0.000 0.729 353 K HN 0.480 nan 8.250 nan 0.000 0.451 354 D N 0.639 121.010 120.400 -0.048 0.000 2.084 354 D HA -0.124 4.517 4.640 0.001 0.000 0.199 354 D C 1.979 178.246 176.300 -0.055 0.000 0.981 354 D CA 1.311 55.294 54.000 -0.028 0.000 0.841 354 D CB -0.233 40.570 40.800 0.005 0.000 0.997 354 D HN 0.212 nan 8.370 nan 0.000 0.454 355 I N 1.149 121.635 120.570 -0.141 0.000 2.185 355 I HA -0.288 3.883 4.170 0.001 0.000 0.246 355 I C 2.580 178.675 176.117 -0.038 0.000 1.088 355 I CA 0.987 62.202 61.300 -0.142 0.000 1.347 355 I CB -0.392 37.443 38.000 -0.275 0.000 1.041 355 I HN -0.023 nan 8.210 nan 0.000 0.415 356 L N -0.227 120.955 121.223 -0.068 0.000 2.201 356 L HA -0.186 4.154 4.340 0.001 0.000 0.212 356 L C 2.010 178.946 176.870 0.110 0.000 1.105 356 L CA 1.335 56.161 54.840 -0.024 0.000 0.775 356 L CB -0.223 41.739 42.059 -0.162 0.000 0.913 356 L HN 0.365 nan 8.230 nan 0.000 0.440 357 Q N -1.557 118.283 119.800 0.066 0.000 2.194 357 Q HA 0.082 4.422 4.340 0.001 0.000 0.214 357 Q C 1.161 177.215 176.000 0.090 0.000 0.838 357 Q CA -0.030 55.828 55.803 0.092 0.000 0.972 357 Q CB 0.810 29.586 28.738 0.064 0.000 1.131 357 Q HN 0.307 nan 8.270 nan 0.000 0.498 358 K N -0.581 119.871 120.400 0.086 0.000 2.504 358 K HA 0.102 4.423 4.320 0.001 0.000 0.203 358 K C 0.987 177.686 176.600 0.164 0.000 1.350 358 K CA 0.292 56.645 56.287 0.109 0.000 0.953 358 K CB 0.992 33.534 32.500 0.069 0.000 1.243 358 K HN -0.018 nan 8.250 nan 0.000 0.534 359 E N 0.440 120.704 120.200 0.107 0.000 2.192 359 E HA 0.048 4.399 4.350 0.001 0.000 0.196 359 E C 0.239 176.850 176.600 0.019 0.000 0.922 359 E CA -0.107 56.316 56.400 0.038 0.000 0.924 359 E CB -0.265 29.454 29.700 0.031 0.000 0.911 359 E HN 0.008 nan 8.360 nan 0.000 0.478 360 F N 3.403 123.323 119.950 -0.050 0.000 2.569 360 F HA -0.014 4.513 4.527 0.001 0.000 0.395 360 F C 0.120 175.925 175.800 0.009 0.000 1.028 360 F CA -0.308 57.675 58.000 -0.028 0.000 1.158 360 F CB -0.002 38.977 39.000 -0.034 0.000 1.023 360 F HN -0.050 nan 8.300 nan 0.000 0.547 361 L N 7.683 128.600 121.223 -0.511 0.000 3.823 361 L HA -0.236 4.104 4.340 0.001 0.000 0.525 361 L C -1.427 175.373 176.870 -0.116 0.000 1.247 361 L CA 0.400 55.044 54.840 -0.327 0.000 0.776 361 L CB -1.624 40.102 42.059 -0.555 0.000 1.443 361 L HN 0.554 nan 8.230 nan 0.000 0.831 362 P HA -0.174 nan 4.420 nan 0.000 0.220 362 P C 0.908 178.249 177.300 0.068 0.000 1.148 362 P CA 1.642 64.764 63.100 0.037 0.000 0.803 362 P CB -0.127 31.594 31.700 0.035 0.000 0.782 363 H N -0.854 118.161 119.070 -0.091 0.000 2.309 363 H HA 0.184 4.740 4.556 0.001 0.000 0.341 363 H C 1.585 176.824 175.328 -0.149 0.000 1.677 363 H CA -0.326 55.669 56.048 -0.088 0.000 1.440 363 H CB -0.037 29.662 29.762 -0.106 0.000 1.693 363 H HN -0.077 nan 8.280 nan 0.000 0.608 364 I N -1.889 118.299 120.570 -0.637 0.000 4.407 364 I HA -0.403 3.768 4.170 0.001 0.000 0.066 364 I C 0.314 176.228 176.117 -0.338 0.000 0.591 364 I CA 2.268 63.164 61.300 -0.673 0.000 1.050 364 I CB -1.096 36.344 38.000 -0.933 0.000 0.939 364 I HN 1.040 nan 8.210 nan 0.000 0.169 365 T N -0.919 113.520 114.554 -0.191 0.000 3.233 365 T HA 0.180 4.530 4.350 0.001 0.000 0.400 365 T C -0.964 173.766 174.700 0.050 0.000 1.740 365 T CA -0.123 61.968 62.100 -0.015 0.000 1.060 365 T CB 0.785 69.701 68.868 0.081 0.000 1.720 365 T HN 0.335 nan 8.240 nan 0.000 0.485 366 Q N 3.104 122.957 119.800 0.089 0.000 2.159 366 Q HA 0.369 4.709 4.340 0.001 0.000 0.217 366 Q C 1.457 177.516 176.000 0.098 0.000 0.818 366 Q CA -0.229 55.632 55.803 0.097 0.000 1.008 366 Q CB 0.542 29.340 28.738 0.100 0.000 1.148 366 Q HN 0.592 nan 8.270 nan 0.000 0.491 367 L N 0.196 121.492 121.223 0.123 0.000 1.829 367 L HA -0.128 4.212 4.340 0.001 0.000 0.232 367 L C 1.587 178.501 176.870 0.073 0.000 1.087 367 L CA 1.678 56.578 54.840 0.099 0.000 0.988 367 L CB -0.138 41.998 42.059 0.128 0.000 0.943 367 L HN 0.211 nan 8.230 nan 0.000 0.499 368 E N -2.035 118.200 120.200 0.058 0.000 3.529 368 E HA 0.110 4.460 4.350 0.001 0.000 0.268 368 E C 0.636 177.244 176.600 0.012 0.000 1.217 368 E CA 0.323 56.740 56.400 0.029 0.000 1.787 368 E CB -0.095 29.601 29.700 -0.007 0.000 2.123 368 E HN 0.330 nan 8.360 nan 0.000 0.855 369 G N 0.788 109.530 108.800 -0.097 0.000 2.734 369 G HA2 0.237 4.197 3.960 0.001 0.000 0.287 369 G HA3 0.237 4.197 3.960 0.001 0.000 0.287 369 G C -0.433 174.322 174.900 -0.241 0.000 0.728 369 G CA 0.433 45.443 45.100 -0.150 0.000 1.999 369 G HN 0.299 nan 8.290 nan 0.000 0.535 370 F N -0.113 119.854 119.950 0.029 0.000 3.110 370 F HA 0.109 4.636 4.527 0.001 0.000 0.342 370 F C 1.584 177.414 175.800 0.050 0.000 1.251 370 F CA -0.454 57.565 58.000 0.033 0.000 0.987 370 F CB 0.675 39.685 39.000 0.017 0.000 1.472 370 F HN 0.328 nan 8.300 nan 0.000 0.501 371 E N 0.728 121.060 120.200 0.220 0.000 2.108 371 E HA -0.276 4.074 4.350 0.001 0.000 0.203 371 E C 2.138 178.828 176.600 0.151 0.000 1.022 371 E CA 2.232 58.720 56.400 0.148 0.000 0.823 371 E CB -0.319 29.430 29.700 0.083 0.000 0.744 371 E HN 0.354 nan 8.360 nan 0.000 0.456 372 S N -0.524 115.288 115.700 0.187 0.000 2.537 372 S HA -0.094 4.376 4.470 0.001 0.000 0.240 372 S C 1.813 176.595 174.600 0.302 0.000 0.981 372 S CA 0.978 59.318 58.200 0.233 0.000 0.948 372 S CB 0.042 63.409 63.200 0.279 0.000 0.759 372 S HN 0.127 nan 8.310 nan 0.000 0.531 373 R N 0.503 121.133 120.500 0.217 0.000 2.195 373 R HA 0.305 4.645 4.340 0.001 0.000 0.197 373 R C 2.155 178.533 176.300 0.129 0.000 0.990 373 R CA 0.286 56.437 56.100 0.085 0.000 1.048 373 R CB 0.103 30.305 30.300 -0.163 0.000 0.997 373 R HN 0.307 nan 8.270 nan 0.000 0.502 374 K N -0.288 120.207 120.400 0.158 0.000 2.137 374 K HA 0.102 4.423 4.320 0.001 0.000 0.202 374 K C 1.856 178.651 176.600 0.326 0.000 1.052 374 K CA 0.981 57.408 56.287 0.233 0.000 0.961 374 K CB 0.208 32.883 32.500 0.292 0.000 0.741 374 K HN 0.082 nan 8.250 nan 0.000 0.452 375 A N 0.602 123.528 122.820 0.177 0.000 1.897 375 A HA -0.082 4.239 4.320 0.001 0.000 0.215 375 A C 1.855 179.514 177.584 0.124 0.000 1.181 375 A CA 0.970 53.005 52.037 -0.004 0.000 0.620 375 A CB -0.658 18.241 19.000 -0.169 0.000 0.821 375 A HN 0.222 nan 8.150 nan 0.000 0.443 376 F N -1.721 118.314 119.950 0.143 0.000 2.333 376 F HA -0.107 4.420 4.527 0.001 0.000 0.300 376 F C 1.885 178.065 175.800 0.634 0.000 1.083 376 F CA 1.174 59.368 58.000 0.324 0.000 1.395 376 F CB -0.075 38.977 39.000 0.086 0.000 1.056 376 F HN 0.373 nan 8.300 nan 0.000 0.529 377 F N 0.008 120.304 119.950 0.577 0.000 2.074 377 F HA -0.119 4.409 4.527 0.001 0.000 0.290 377 F C 2.184 178.262 175.800 0.463 0.000 1.118 377 F CA 1.025 59.370 58.000 0.576 0.000 1.199 377 F CB -1.022 38.180 39.000 0.336 0.000 1.012 377 F HN -0.126 nan 8.300 nan 0.000 0.472 378 L N 1.065 122.462 121.223 0.291 0.000 2.211 378 L HA -0.139 4.201 4.340 0.001 0.000 0.216 378 L C 2.147 179.133 176.870 0.193 0.000 1.092 378 L CA 2.260 57.167 54.840 0.112 0.000 0.767 378 L CB -1.642 40.474 42.059 0.094 0.000 0.894 378 L HN 0.287 nan 8.230 nan 0.000 0.437 379 G N -1.914 107.142 108.800 0.427 0.000 2.394 379 G HA2 -0.346 3.615 3.960 0.001 0.000 0.215 379 G HA3 -0.346 3.615 3.960 0.001 0.000 0.215 379 G C 1.510 176.668 174.900 0.432 0.000 1.165 379 G CA 0.711 46.165 45.100 0.591 0.000 0.784 379 G HN 0.539 nan 8.290 nan 0.000 0.535 380 Y N 1.092 121.584 120.300 0.320 0.000 2.114 380 Y HA -0.166 4.385 4.550 0.001 0.000 0.282 380 Y C 2.837 178.672 175.900 -0.109 0.000 1.165 380 Y CA 1.888 60.041 58.100 0.089 0.000 1.148 380 Y CB -0.258 38.175 38.460 -0.045 0.000 0.972 380 Y HN 0.153 nan 8.280 nan 0.000 0.504 381 M N -0.401 119.028 119.600 -0.285 0.000 2.059 381 M HA -0.247 4.234 4.480 0.001 0.000 0.259 381 M C 2.165 178.323 176.300 -0.236 0.000 1.072 381 M CA 2.245 57.325 55.300 -0.367 0.000 1.117 381 M CB -0.578 31.849 32.600 -0.287 0.000 1.320 381 M HN 0.264 nan 8.290 nan 0.000 0.408 382 I N 0.338 120.870 120.570 -0.063 0.000 2.502 382 I HA -0.321 3.850 4.170 0.001 0.000 0.258 382 I C 1.979 178.071 176.117 -0.042 0.000 1.172 382 I CA 1.137 62.441 61.300 0.006 0.000 1.430 382 I CB -0.869 37.218 38.000 0.145 0.000 1.086 382 I HN 0.456 nan 8.210 nan 0.000 0.440 383 N N 1.254 119.891 118.700 -0.106 0.000 2.081 383 N HA -0.139 4.602 4.740 0.001 0.000 0.191 383 N C 2.041 177.412 175.510 -0.231 0.000 1.053 383 N CA 1.196 54.152 53.050 -0.157 0.000 0.846 383 N CB -0.006 38.335 38.487 -0.242 0.000 1.032 383 N HN 0.001 nan 8.380 nan 0.000 0.431 384 R N 0.245 120.508 120.500 -0.394 0.000 2.119 384 R HA -0.176 4.165 4.340 0.001 0.000 0.246 384 R C 2.149 178.318 176.300 -0.218 0.000 1.146 384 R CA 1.162 57.040 56.100 -0.369 0.000 0.962 384 R CB -1.353 28.624 30.300 -0.537 0.000 0.863 384 R HN 0.402 nan 8.270 nan 0.000 0.442 385 L N 1.244 122.359 121.223 -0.181 0.000 1.971 385 L HA -0.187 4.154 4.340 0.001 0.000 0.215 385 L C 2.239 179.087 176.870 -0.038 0.000 1.072 385 L CA 1.794 56.581 54.840 -0.088 0.000 0.758 385 L CB -0.603 41.421 42.059 -0.058 0.000 0.889 385 L HN 0.104 nan 8.230 nan 0.000 0.433 386 L N -1.395 119.791 121.223 -0.061 0.000 2.141 386 L HA -0.193 4.148 4.340 0.001 0.000 0.209 386 L C 2.495 179.329 176.870 -0.061 0.000 1.094 386 L CA 0.502 55.308 54.840 -0.056 0.000 0.763 386 L CB -0.648 41.373 42.059 -0.063 0.000 0.908 386 L HN 0.300 nan 8.230 nan 0.000 0.437 387 L N -0.554 120.617 121.223 -0.087 0.000 2.081 387 L HA -0.289 4.051 4.340 0.001 0.000 0.212 387 L C 2.680 179.522 176.870 -0.047 0.000 1.080 387 L CA 1.613 56.403 54.840 -0.083 0.000 0.754 387 L CB -1.051 40.942 42.059 -0.111 0.000 0.893 387 L HN 0.405 nan 8.230 nan 0.000 0.433 388 C N -0.964 118.324 119.300 -0.021 0.000 2.518 388 C HA 0.054 4.514 4.460 0.001 0.000 0.279 388 C C 2.980 178.045 174.990 0.125 0.000 1.279 388 C CA 0.451 59.485 59.018 0.027 0.000 1.703 388 C CB -1.024 26.717 27.740 0.001 0.000 2.072 388 C HN 0.570 nan 8.230 nan 0.000 0.487 389 A N 0.021 122.956 122.820 0.192 0.000 2.204 389 A HA -0.074 4.246 4.320 0.001 0.000 0.220 389 A C 1.888 179.472 177.584 -0.001 0.000 1.165 389 A CA 1.624 53.701 52.037 0.067 0.000 0.671 389 A CB -0.585 18.298 19.000 -0.195 0.000 0.792 389 A HN 0.745 nan 8.150 nan 0.000 0.473 390 L N -2.348 118.872 121.223 -0.006 0.000 2.664 390 L HA 0.150 4.490 4.340 0.001 0.000 0.233 390 L C -0.241 176.615 176.870 -0.023 0.000 1.113 390 L CA 0.177 54.991 54.840 -0.043 0.000 0.896 390 L CB 0.069 42.079 42.059 -0.081 0.000 1.163 390 L HN 0.261 nan 8.230 nan 0.000 0.497 391 D N -0.111 120.291 120.400 0.002 0.000 2.995 391 D HA -0.133 4.507 4.640 0.001 0.000 0.219 391 D C 1.080 177.372 176.300 -0.013 0.000 1.090 391 D CA 0.459 54.459 54.000 0.001 0.000 0.816 391 D CB -0.702 40.098 40.800 -0.000 0.000 1.091 391 D HN 0.290 nan 8.370 nan 0.000 0.440 392 R N -0.185 120.302 120.500 -0.022 0.000 2.164 392 R HA 0.225 4.565 4.340 0.001 0.000 0.198 392 R C 0.589 176.873 176.300 -0.026 0.000 1.028 392 R CA 0.166 56.249 56.100 -0.027 0.000 1.083 392 R CB 0.648 30.924 30.300 -0.040 0.000 1.026 392 R HN -0.025 nan 8.270 nan 0.000 0.514 393 K N 1.557 121.937 120.400 -0.033 0.000 2.270 393 K HA 0.235 4.555 4.320 0.001 0.000 0.255 393 K C -0.860 175.721 176.600 -0.033 0.000 0.936 393 K CA -0.580 55.685 56.287 -0.037 0.000 0.809 393 K CB 2.003 34.467 32.500 -0.059 0.000 1.131 393 K HN -0.005 nan 8.250 nan 0.000 0.427 394 D N 1.656 122.041 120.400 -0.024 0.000 2.372 394 D HA -0.049 4.591 4.640 0.001 0.000 0.243 394 D C 0.349 176.630 176.300 -0.032 0.000 1.297 394 D CA 0.228 54.216 54.000 -0.020 0.000 0.958 394 D CB 0.755 41.553 40.800 -0.003 0.000 1.114 394 D HN 0.400 nan 8.370 nan 0.000 0.496 395 Q N 0.190 119.975 119.800 -0.025 0.000 2.443 395 Q HA 0.017 4.357 4.340 0.001 0.000 0.232 395 Q C -0.755 175.277 176.000 0.052 0.000 1.026 395 Q CA -0.317 55.481 55.803 -0.008 0.000 0.924 395 Q CB 0.758 29.501 28.738 0.008 0.000 1.256 395 Q HN 0.229 nan 8.270 nan 0.000 0.519 396 D N 2.062 122.538 120.400 0.127 0.000 2.312 396 D HA 0.046 4.686 4.640 0.001 0.000 0.252 396 D C -1.061 175.371 176.300 0.220 0.000 1.150 396 D CA -0.032 54.063 54.000 0.158 0.000 0.870 396 D CB 0.963 41.837 40.800 0.123 0.000 1.153 396 D HN 0.476 nan 8.370 nan 0.000 0.457 397 D N 1.911 122.386 120.400 0.124 0.000 2.325 397 D HA 0.025 4.665 4.640 0.001 0.000 0.251 397 D C 1.001 177.336 176.300 0.059 0.000 1.196 397 D CA -0.173 53.869 54.000 0.072 0.000 0.866 397 D CB 0.597 41.453 40.800 0.094 0.000 1.101 397 D HN 0.182 nan 8.370 nan 0.000 0.476 398 R N 2.559 123.040 120.500 -0.031 0.000 2.235 398 R HA -0.021 4.320 4.340 0.001 0.000 0.213 398 R C 0.149 176.409 176.300 -0.067 0.000 1.059 398 R CA 0.713 56.786 56.100 -0.045 0.000 0.997 398 R CB 0.189 30.389 30.300 -0.167 0.000 0.884 398 R HN 0.505 nan 8.270 nan 0.000 0.462 399 D N 0.037 120.334 120.400 -0.171 0.000 2.336 399 D HA -0.036 4.605 4.640 0.001 0.000 0.228 399 D C 0.041 176.061 176.300 -0.467 0.000 1.120 399 D CA 0.205 54.001 54.000 -0.341 0.000 0.839 399 D CB -0.066 40.414 40.800 -0.533 0.000 0.932 399 D HN 0.174 nan 8.370 nan 0.000 0.509 400 H N 0.840 119.811 119.070 -0.165 0.000 2.899 400 H HA -0.073 4.483 4.556 0.001 0.000 0.303 400 H C 0.719 176.157 175.328 0.184 0.000 1.042 400 H CA -0.159 55.953 56.048 0.106 0.000 1.479 400 H CB 0.518 30.353 29.762 0.121 0.000 1.493 400 H HN -0.067 nan 8.280 nan 0.000 0.534 401 F N 4.490 124.511 119.950 0.117 0.000 2.161 401 F HA -0.090 4.437 4.527 0.001 0.000 0.300 401 F C 2.345 178.266 175.800 0.201 0.000 1.089 401 F CA 1.618 59.722 58.000 0.173 0.000 1.282 401 F CB -0.773 38.367 39.000 0.233 0.000 1.010 401 F HN 0.748 nan 8.300 nan 0.000 0.485 402 G N -0.661 108.405 108.800 0.443 0.000 2.499 402 G HA2 -0.317 3.643 3.960 0.001 0.000 0.221 402 G HA3 -0.317 3.643 3.960 0.001 0.000 0.221 402 G C 1.663 176.518 174.900 -0.076 0.000 1.109 402 G CA 0.765 45.957 45.100 0.153 0.000 0.749 402 G HN 0.320 nan 8.290 nan 0.000 0.568 403 K N -0.114 120.278 120.400 -0.013 0.000 2.437 403 K HA 0.192 4.513 4.320 0.001 0.000 0.205 403 K C 0.418 176.965 176.600 -0.089 0.000 1.026 403 K CA -0.014 56.209 56.287 -0.106 0.000 1.153 403 K CB 0.331 32.794 32.500 -0.062 0.000 0.863 403 K HN 0.156 nan 8.250 nan 0.000 0.502 404 K N 0.620 120.955 120.400 -0.108 0.000 2.238 404 K HA 0.450 4.770 4.320 0.001 0.000 0.239 404 K C -0.220 176.258 176.600 -0.204 0.000 0.987 404 K CA -0.963 55.262 56.287 -0.103 0.000 0.857 404 K CB 1.692 34.194 32.500 0.004 0.000 1.154 404 K HN -0.157 nan 8.250 nan 0.000 0.439 405 R N 0.969 121.388 120.500 -0.135 0.000 2.808 405 R HA 0.525 4.866 4.340 0.001 0.000 0.272 405 R C -0.779 175.468 176.300 -0.088 0.000 0.995 405 R CA -0.855 55.165 56.100 -0.134 0.000 0.917 405 R CB 1.215 31.465 30.300 -0.084 0.000 1.217 405 R HN 0.517 nan 8.270 nan 0.000 0.471 406 L N 2.317 123.491 121.223 -0.082 0.000 2.345 406 L HA 0.340 4.680 4.340 0.001 0.000 0.274 406 L C -0.751 176.099 176.870 -0.033 0.000 0.999 406 L CA -0.947 53.865 54.840 -0.047 0.000 0.849 406 L CB 1.735 43.768 42.059 -0.043 0.000 1.220 406 L HN 0.309 nan 8.230 nan 0.000 0.422 407 D N 3.579 123.963 120.400 -0.026 0.000 2.343 407 D HA 0.406 5.047 4.640 0.001 0.000 0.255 407 D C 0.091 176.376 176.300 -0.026 0.000 1.187 407 D CA 0.006 53.999 54.000 -0.013 0.000 0.875 407 D CB 1.792 42.589 40.800 -0.006 0.000 1.136 407 D HN 0.110 nan 8.370 nan 0.000 0.469 408 L N 1.373 122.596 121.223 -0.001 0.000 2.687 408 L HA 0.473 4.813 4.340 0.001 0.000 0.252 408 L C 2.025 178.911 176.870 0.026 0.000 1.115 408 L CA -0.573 54.267 54.840 0.000 0.000 0.893 408 L CB -0.244 41.828 42.059 0.022 0.000 1.670 408 L HN 0.395 nan 8.230 nan 0.000 0.531 409 A N 0.144 123.000 122.820 0.059 0.000 1.896 409 A HA -0.225 4.096 4.320 0.001 0.000 0.220 409 A C 2.067 179.729 177.584 0.131 0.000 1.206 409 A CA 2.579 54.686 52.037 0.116 0.000 0.647 409 A CB -1.726 17.427 19.000 0.255 0.000 0.828 409 A HN 0.869 nan 8.150 nan 0.000 0.455 410 G N -0.170 108.725 108.800 0.159 0.000 2.587 410 G HA2 -0.188 3.772 3.960 0.001 0.000 0.217 410 G HA3 -0.188 3.772 3.960 0.001 0.000 0.217 410 G C -0.133 174.736 174.900 -0.051 0.000 1.240 410 G CA 1.394 46.529 45.100 0.057 0.000 0.794 410 G HN 0.486 nan 8.290 nan 0.000 0.580 411 P HA -0.141 nan 4.420 nan 0.000 0.217 411 P C 2.038 179.398 177.300 0.099 0.000 1.162 411 P CA 1.056 64.209 63.100 0.087 0.000 0.901 411 P CB -0.187 31.560 31.700 0.079 0.000 0.793 412 L N -1.955 119.352 121.223 0.139 0.000 2.079 412 L HA -0.174 4.167 4.340 0.001 0.000 0.210 412 L C 2.532 179.610 176.870 0.347 0.000 1.081 412 L CA 1.577 56.658 54.840 0.401 0.000 0.752 412 L CB -1.166 41.124 42.059 0.386 0.000 0.896 412 L HN -0.055 nan 8.230 nan 0.000 0.433 413 L N -1.314 119.914 121.223 0.008 0.000 2.056 413 L HA -0.214 4.126 4.340 0.001 0.000 0.207 413 L C 2.738 179.438 176.870 -0.283 0.000 1.078 413 L CA 1.109 55.758 54.840 -0.318 0.000 0.749 413 L CB -0.733 40.842 42.059 -0.806 0.000 0.901 413 L HN 0.293 nan 8.230 nan 0.000 0.433 414 A N -0.407 122.273 122.820 -0.232 0.000 1.841 414 A HA -0.327 3.993 4.320 0.001 0.000 0.216 414 A C 2.246 179.956 177.584 0.211 0.000 1.199 414 A CA 2.107 54.291 52.037 0.246 0.000 0.621 414 A CB -0.872 18.312 19.000 0.307 0.000 0.835 414 A HN 0.496 nan 8.150 nan 0.000 0.445 415 Q N -0.549 119.337 119.800 0.143 0.000 2.096 415 Q HA -0.232 4.108 4.340 0.001 0.000 0.208 415 Q C 2.129 178.160 176.000 0.050 0.000 0.993 415 Q CA 2.047 57.920 55.803 0.117 0.000 0.862 415 Q CB -0.278 28.555 28.738 0.159 0.000 0.915 415 Q HN 0.694 nan 8.270 nan 0.000 0.416 416 L N -0.123 121.077 121.223 -0.037 0.000 1.976 416 L HA -0.189 4.152 4.340 0.001 0.000 0.209 416 L C 2.469 179.332 176.870 -0.012 0.000 1.071 416 L CA 1.537 56.263 54.840 -0.189 0.000 0.746 416 L CB -0.530 41.207 42.059 -0.536 0.000 0.890 416 L HN 0.314 nan 8.230 nan 0.000 0.432 417 F N 1.098 121.005 119.950 -0.071 0.000 2.063 417 F HA -0.344 4.183 4.527 0.001 0.000 0.298 417 F C 2.456 178.302 175.800 0.076 0.000 1.109 417 F CA 1.943 59.965 58.000 0.037 0.000 1.212 417 F CB -0.540 38.564 39.000 0.174 0.000 0.973 417 F HN 0.008 nan 8.300 nan 0.000 0.480 418 K N -0.530 119.862 120.400 -0.013 0.000 2.001 418 K HA -0.259 4.061 4.320 0.001 0.000 0.223 418 K C 1.855 178.366 176.600 -0.149 0.000 1.055 418 K CA 2.761 58.985 56.287 -0.105 0.000 0.965 418 K CB -1.101 31.399 32.500 0.000 0.000 0.730 418 K HN 0.271 nan 8.250 nan 0.000 0.449 419 T N 1.823 116.322 114.554 -0.092 0.000 2.837 419 T HA -0.186 4.164 4.350 0.001 0.000 0.266 419 T C 1.707 176.330 174.700 -0.128 0.000 1.077 419 T CA 1.309 63.348 62.100 -0.101 0.000 1.133 419 T CB -0.132 68.689 68.868 -0.078 0.000 0.830 419 T HN 0.171 nan 8.240 nan 0.000 0.512 420 L N -1.265 119.874 121.223 -0.140 0.000 2.347 420 L HA 0.270 4.610 4.340 0.001 0.000 0.196 420 L C 2.111 178.872 176.870 -0.182 0.000 1.072 420 L CA 0.335 55.101 54.840 -0.124 0.000 0.817 420 L CB -0.594 41.443 42.059 -0.037 0.000 1.029 420 L HN 0.109 nan 8.230 nan 0.000 0.478 421 F N 2.015 121.666 119.950 -0.498 0.000 2.236 421 F HA -0.212 4.315 4.527 0.001 0.000 0.302 421 F C 1.942 177.508 175.800 -0.389 0.000 1.073 421 F CA 1.568 59.235 58.000 -0.556 0.000 1.336 421 F CB -0.247 38.134 39.000 -1.033 0.000 1.040 421 F HN -0.081 nan 8.300 nan 0.000 0.507 422 K N -0.424 119.632 120.400 -0.575 0.000 2.374 422 K HA 0.012 4.333 4.320 0.001 0.000 0.196 422 K C 1.798 178.178 176.600 -0.367 0.000 1.023 422 K CA -0.018 55.922 56.287 -0.579 0.000 1.103 422 K CB 0.168 32.426 32.500 -0.404 0.000 0.848 422 K HN 0.044 nan 8.250 nan 0.000 0.528 423 K N 1.153 121.388 120.400 -0.274 0.000 2.334 423 K HA 0.058 4.379 4.320 0.001 0.000 0.195 423 K C 1.731 178.237 176.600 -0.157 0.000 1.045 423 K CA 0.399 56.580 56.287 -0.178 0.000 1.004 423 K CB 0.332 32.754 32.500 -0.129 0.000 0.837 423 K HN 0.119 nan 8.250 nan 0.000 0.510 424 L N 1.090 122.196 121.223 -0.194 0.000 2.102 424 L HA 0.020 4.360 4.340 0.001 0.000 0.202 424 L C 1.971 178.744 176.870 -0.162 0.000 1.076 424 L CA 1.709 56.472 54.840 -0.127 0.000 0.761 424 L CB -0.797 41.216 42.059 -0.076 0.000 0.921 424 L HN -0.023 nan 8.230 nan 0.000 0.444 425 T N 0.575 114.907 114.554 -0.371 0.000 2.721 425 T HA -0.263 4.087 4.350 0.001 0.000 0.268 425 T C 1.520 176.109 174.700 -0.185 0.000 1.038 425 T CA 2.041 63.915 62.100 -0.377 0.000 1.145 425 T CB -0.312 68.149 68.868 -0.679 0.000 0.858 425 T HN 0.542 nan 8.240 nan 0.000 0.459 426 K N 0.253 120.537 120.400 -0.193 0.000 2.476 426 K HA 0.070 4.390 4.320 0.001 0.000 0.196 426 K C 0.683 177.286 176.600 0.005 0.000 1.025 426 K CA 0.571 56.786 56.287 -0.120 0.000 1.138 426 K CB 0.336 32.742 32.500 -0.155 0.000 0.860 426 K HN 0.169 nan 8.250 nan 0.000 0.515 427 D N 1.225 121.636 120.400 0.019 0.000 2.490 427 D HA 0.075 4.715 4.640 0.001 0.000 0.244 427 D C 1.924 178.304 176.300 0.132 0.000 0.979 427 D CA 0.472 54.508 54.000 0.061 0.000 0.924 427 D CB -0.034 40.781 40.800 0.026 0.000 1.075 427 D HN 0.158 nan 8.370 nan 0.000 0.488 428 I N 0.949 121.600 120.570 0.135 0.000 2.181 428 I HA -0.326 3.844 4.170 0.001 0.000 0.247 428 I C 2.290 178.579 176.117 0.286 0.000 1.081 428 I CA 1.148 62.571 61.300 0.205 0.000 1.340 428 I CB -0.290 37.859 38.000 0.249 0.000 1.036 428 I HN -0.105 nan 8.210 nan 0.000 0.417 429 F N 1.549 121.534 119.950 0.058 0.000 2.075 429 F HA -0.134 4.393 4.527 0.001 0.000 0.297 429 F C 2.629 178.463 175.800 0.058 0.000 1.113 429 F CA 1.506 59.534 58.000 0.047 0.000 1.218 429 F CB -0.508 38.499 39.000 0.011 0.000 0.984 429 F HN -0.087 nan 8.300 nan 0.000 0.472 430 R N -1.564 119.078 120.500 0.236 0.000 2.371 430 R HA -0.240 4.101 4.340 0.001 0.000 0.226 430 R C 1.686 178.067 176.300 0.135 0.000 1.132 430 R CA 1.257 57.441 56.100 0.142 0.000 1.027 430 R CB -0.672 29.702 30.300 0.124 0.000 0.848 430 R HN 0.397 nan 8.270 nan 0.000 0.479 431 Y N 0.548 120.857 120.300 0.015 0.000 2.301 431 Y HA 0.069 4.619 4.550 0.000 0.000 0.295 431 Y C 2.096 177.972 175.900 -0.039 0.000 1.126 431 Y CA 0.812 58.910 58.100 -0.003 0.000 1.154 431 Y CB 0.041 38.509 38.460 0.013 0.000 1.075 431 Y HN -0.174 nan 8.280 nan 0.000 0.534 432 M N 0.041 119.597 119.600 -0.073 0.000 2.175 432 M HA -0.211 4.270 4.480 0.001 0.000 0.264 432 M C 1.088 177.245 176.300 -0.238 0.000 1.063 432 M CA 1.553 56.734 55.300 -0.198 0.000 1.119 432 M CB -0.406 32.089 32.600 -0.176 0.000 1.377 432 M HN 0.168 nan 8.290 nan 0.000 0.415 433 Q N 0.593 120.263 119.800 -0.217 0.000 2.319 433 Q HA 0.032 4.372 4.340 0.001 0.000 0.217 433 Q C 0.752 176.671 176.000 -0.135 0.000 0.924 433 Q CA 0.343 56.036 55.803 -0.182 0.000 0.964 433 Q CB -0.021 28.628 28.738 -0.147 0.000 1.025 433 Q HN 0.469 nan 8.270 nan 0.000 0.465 434 R N -2.326 118.067 120.500 -0.179 0.000 2.570 434 R HA 0.045 4.385 4.340 0.001 0.000 0.203 434 R C 0.054 176.230 176.300 -0.207 0.000 0.968 434 R CA 0.033 56.035 56.100 -0.165 0.000 1.514 434 R CB 0.649 30.859 30.300 -0.150 0.000 1.719 434 R HN -0.062 nan 8.270 nan 0.000 0.503 435 T N 2.513 116.894 114.554 -0.288 0.000 4.282 435 T HA 0.053 4.403 4.350 0.001 0.000 0.231 435 T C 0.513 175.116 174.700 -0.162 0.000 1.004 435 T CA 0.301 62.240 62.100 -0.268 0.000 1.146 435 T CB 0.050 68.730 68.868 -0.314 0.000 1.285 435 T HN -0.067 nan 8.240 nan 0.000 0.971 436 V N 3.297 123.136 119.914 -0.126 0.000 2.588 436 V HA 0.127 4.247 4.120 0.001 0.000 0.329 436 V C 0.691 176.741 176.094 -0.074 0.000 1.688 436 V CA 0.426 62.673 62.300 -0.089 0.000 1.686 436 V CB -1.462 30.319 31.823 -0.071 0.000 1.383 436 V HN 0.725 nan 8.190 nan 0.000 0.492 447 A N -0.006 122.588 122.820 -0.376 0.000 3.080 447 A HA -0.200 4.120 4.320 0.001 0.000 0.254 447 A C 0.335 177.747 177.584 -0.287 0.000 1.277 447 A CA 1.415 53.120 52.037 -0.554 0.000 1.065 447 A CB -2.540 15.493 19.000 -1.612 0.000 1.160 447 A HN 0.572 nan 8.150 nan 0.000 0.886 448 I N 1.518 122.007 120.570 -0.135 0.000 2.213 448 I HA 0.072 4.242 4.170 0.001 0.000 0.295 448 I C 0.730 176.851 176.117 0.006 0.000 1.172 448 I CA -0.178 61.107 61.300 -0.025 0.000 1.443 448 I CB -0.174 37.844 38.000 0.031 0.000 1.491 448 I HN 0.432 nan 8.210 nan 0.000 0.652 449 N N 4.711 123.408 118.700 -0.005 0.000 2.383 449 N HA -0.004 4.736 4.740 0.001 0.000 0.295 449 N C 1.054 176.586 175.510 0.037 0.000 1.281 449 N CA 0.116 53.178 53.050 0.021 0.000 1.048 449 N CB 0.628 39.122 38.487 0.012 0.000 1.455 449 N HN 0.604 nan 8.380 nan 0.000 0.488 450 A N 3.122 125.971 122.820 0.049 0.000 2.250 450 A HA -0.020 4.300 4.320 0.001 0.000 0.208 450 A C 1.822 179.427 177.584 0.034 0.000 1.254 450 A CA 0.287 52.311 52.037 -0.021 0.000 0.858 450 A CB -0.361 18.521 19.000 -0.197 0.000 0.820 450 A HN 0.702 nan 8.150 nan 0.000 0.484 451 K N -1.194 119.250 120.400 0.074 0.000 2.356 451 K HA 0.013 4.333 4.320 0.001 0.000 0.195 451 K C 1.534 178.171 176.600 0.062 0.000 1.037 451 K CA 1.054 57.394 56.287 0.089 0.000 1.014 451 K CB 0.056 32.607 32.500 0.085 0.000 0.815 451 K HN 0.365 nan 8.250 nan 0.000 0.507 452 T N 1.240 115.820 114.554 0.042 0.000 2.732 452 T HA -0.031 4.319 4.350 0.001 0.000 0.261 452 T C 1.665 176.392 174.700 0.045 0.000 1.040 452 T CA 1.191 63.309 62.100 0.030 0.000 1.145 452 T CB -0.049 68.827 68.868 0.013 0.000 0.866 452 T HN 0.143 nan 8.240 nan 0.000 0.427 453 I N 0.973 121.583 120.570 0.066 0.000 2.315 453 I HA -0.162 4.009 4.170 0.001 0.000 0.248 453 I C 2.698 178.876 176.117 0.101 0.000 1.117 453 I CA 0.973 62.347 61.300 0.123 0.000 1.404 453 I CB -0.722 37.401 38.000 0.205 0.000 1.071 453 I HN 0.259 nan 8.210 nan 0.000 0.419 454 T N 0.646 115.245 114.554 0.076 0.000 2.595 454 T HA -0.199 4.151 4.350 0.001 0.000 0.264 454 T C 2.132 176.888 174.700 0.093 0.000 1.058 454 T CA 2.381 64.537 62.100 0.094 0.000 1.166 454 T CB -0.270 68.674 68.868 0.126 0.000 0.863 454 T HN 0.545 nan 8.240 nan 0.000 0.415 455 S N 0.888 116.641 115.700 0.089 0.000 2.387 455 S HA 0.042 4.512 4.470 0.001 0.000 0.226 455 S C 2.372 177.032 174.600 0.100 0.000 1.026 455 S CA 1.269 59.525 58.200 0.095 0.000 0.972 455 S CB -1.116 62.137 63.200 0.088 0.000 0.814 455 S HN 0.531 nan 8.310 nan 0.000 0.477 456 G N 2.569 111.410 108.800 0.067 0.000 2.491 456 G HA2 -0.156 3.804 3.960 0.001 0.000 0.218 456 G HA3 -0.156 3.804 3.960 0.001 0.000 0.218 456 G C 1.455 176.375 174.900 0.032 0.000 1.180 456 G CA 1.184 46.309 45.100 0.042 0.000 0.774 456 G HN 0.495 nan 8.290 nan 0.000 0.562 457 L N -0.035 121.200 121.223 0.020 0.000 1.989 457 L HA -0.130 4.210 4.340 0.001 0.000 0.211 457 L C 3.060 179.926 176.870 -0.007 0.000 1.071 457 L CA 1.648 56.469 54.840 -0.033 0.000 0.749 457 L CB -0.442 41.630 42.059 0.021 0.000 0.890 457 L HN 0.214 nan 8.230 nan 0.000 0.431 458 K N -0.638 119.795 120.400 0.055 0.000 2.001 458 K HA -0.284 4.036 4.320 0.001 0.000 0.214 458 K C 2.147 178.774 176.600 0.046 0.000 1.050 458 K CA 2.174 58.499 56.287 0.063 0.000 0.934 458 K CB -0.603 31.947 32.500 0.083 0.000 0.718 458 K HN 0.165 nan 8.250 nan 0.000 0.443 459 Y N 1.448 121.748 120.300 0.000 0.000 2.139 459 Y HA -0.377 4.173 4.550 0.001 0.000 0.282 459 Y C 2.091 178.001 175.900 0.016 0.000 1.179 459 Y CA 1.703 59.807 58.100 0.007 0.000 1.161 459 Y CB -0.395 38.062 38.460 -0.006 0.000 0.970 459 Y HN 0.153 nan 8.280 nan 0.000 0.511 460 A N 0.207 123.066 122.820 0.065 0.000 1.824 460 A HA -0.194 4.126 4.320 0.001 0.000 0.215 460 A C 1.975 179.666 177.584 0.178 0.000 1.209 460 A CA 2.089 54.148 52.037 0.038 0.000 0.614 460 A CB -1.317 17.395 19.000 -0.480 0.000 0.852 460 A HN 0.433 nan 8.150 nan 0.000 0.447 461 L N -0.039 121.270 121.223 0.144 0.000 2.447 461 L HA -0.088 4.252 4.340 0.001 0.000 0.225 461 L C 2.686 179.569 176.870 0.022 0.000 1.148 461 L CA 1.252 56.170 54.840 0.131 0.000 0.808 461 L CB -0.792 41.261 42.059 -0.010 0.000 0.928 461 L HN 0.446 nan 8.230 nan 0.000 0.448 462 A N -0.177 122.618 122.820 -0.042 0.000 1.843 462 A HA -0.134 4.186 4.320 0.001 0.000 0.213 462 A C 2.470 179.975 177.584 -0.132 0.000 1.202 462 A CA 1.912 53.894 52.037 -0.092 0.000 0.607 462 A CB -0.920 17.993 19.000 -0.144 0.000 0.847 462 A HN 0.447 nan 8.150 nan 0.000 0.445 463 T N -4.487 109.919 114.554 -0.247 0.000 3.009 463 T HA 0.385 4.736 4.350 0.001 0.000 0.258 463 T C 1.464 176.117 174.700 -0.078 0.000 1.063 463 T CA 1.297 63.269 62.100 -0.213 0.000 1.139 463 T CB -0.076 68.550 68.868 -0.403 0.000 0.890 463 T HN 1.793 nan 8.240 nan 0.000 0.471 464 G N 1.701 110.500 108.800 -0.003 0.000 2.131 464 G HA2 -0.204 3.757 3.960 0.001 0.000 0.223 464 G HA3 -0.204 3.757 3.960 0.001 0.000 0.223 464 G C -0.258 174.699 174.900 0.096 0.000 0.990 464 G CA -0.162 44.957 45.100 0.031 0.000 0.671 464 G HN 0.665 nan 8.290 nan 0.000 0.521 465 N N 0.376 119.195 118.700 0.198 0.000 2.707 465 N HA 0.279 5.019 4.740 0.001 0.000 0.235 465 N C 1.056 176.841 175.510 0.458 0.000 1.028 465 N CA -0.876 52.335 53.050 0.268 0.000 0.906 465 N CB 0.787 39.433 38.487 0.264 0.000 1.131 465 N HN 0.426 nan 8.380 nan 0.000 0.509 466 W N 2.455 123.785 121.300 0.050 0.000 2.207 466 W HA -0.174 4.487 4.660 0.001 0.000 0.321 466 W C 1.255 177.818 176.519 0.075 0.000 1.202 466 W CA 1.459 58.835 57.345 0.051 0.000 1.151 466 W CB -0.078 29.391 29.460 0.016 0.000 1.175 466 W HN 0.559 nan 8.180 nan 0.000 0.461 478 G N -0.626 108.150 108.800 -0.040 0.000 2.731 478 G HA2 0.301 4.261 3.960 0.001 0.000 0.219 478 G HA3 0.301 4.261 3.960 0.001 0.000 0.219 478 G C -0.135 174.688 174.900 -0.129 0.000 0.989 478 G CA 0.199 45.261 45.100 -0.064 0.000 0.871 478 G HN 1.029 nan 8.290 nan 0.000 0.591 479 V N 1.044 120.824 119.914 -0.223 0.000 2.785 479 V HA 0.726 4.847 4.120 0.001 0.000 0.300 479 V C 1.209 177.090 176.094 -0.354 0.000 1.062 479 V CA 0.517 62.584 62.300 -0.387 0.000 1.029 479 V CB 1.365 32.720 31.823 -0.780 0.000 1.024 479 V HN 1.845 nan 8.190 nan 0.000 0.477 480 S N 2.503 118.007 115.700 -0.327 0.000 3.598 480 S HA -0.136 4.334 4.470 0.001 0.000 0.602 480 S C -0.411 174.115 174.600 -0.124 0.000 0.614 480 S CA 0.745 58.807 58.200 -0.230 0.000 1.417 480 S CB -0.803 62.271 63.200 -0.211 0.000 0.922 480 S HN 0.880 nan 8.310 nan 0.000 0.924 481 Q N 2.210 121.952 119.800 -0.097 0.000 2.527 481 Q HA 0.776 5.116 4.340 0.001 0.000 0.220 481 Q C -0.159 175.823 176.000 -0.030 0.000 1.014 481 Q CA -1.062 54.720 55.803 -0.035 0.000 0.978 481 Q CB 0.821 29.578 28.738 0.032 0.000 1.245 481 Q HN 0.469 nan 8.270 nan 0.000 0.513 482 V N 1.881 121.803 119.914 0.013 0.000 2.406 482 V HA 0.108 4.228 4.120 0.001 0.000 0.272 482 V C -0.154 175.948 176.094 0.013 0.000 1.043 482 V CA -0.588 61.710 62.300 -0.003 0.000 0.915 482 V CB 0.604 32.428 31.823 0.001 0.000 0.988 482 V HN 0.496 nan 8.190 nan 0.000 0.466 483 L N 5.253 126.414 121.223 -0.104 0.000 2.615 483 L HA 0.020 4.360 4.340 0.001 0.000 0.284 483 L C 0.478 177.302 176.870 -0.076 0.000 1.237 483 L CA 0.911 55.645 54.840 -0.176 0.000 0.905 483 L CB -0.306 41.532 42.059 -0.368 0.000 1.149 483 L HN 0.743 nan 8.230 nan 0.000 0.499 484 N N 2.916 121.654 118.700 0.064 0.000 2.518 484 N HA 0.331 5.071 4.740 0.001 0.000 0.266 484 N C -0.146 175.191 175.510 -0.288 0.000 1.196 484 N CA 0.117 52.992 53.050 -0.292 0.000 0.947 484 N CB 0.443 38.630 38.487 -0.499 0.000 1.098 484 N HN 0.502 nan 8.380 nan 0.000 0.450 485 R N 1.436 121.777 120.500 -0.265 0.000 2.569 485 R HA 0.200 4.540 4.340 0.001 0.000 0.429 485 R C -0.068 176.143 176.300 -0.149 0.000 0.994 485 R CA -0.150 55.795 56.100 -0.258 0.000 1.089 485 R CB -0.085 29.937 30.300 -0.464 0.000 1.420 485 R HN 0.713 nan 8.270 nan 0.000 0.615 486 Y N -1.610 118.564 120.300 -0.209 0.000 2.176 486 Y HA 0.131 4.681 4.550 0.001 0.000 0.291 486 Y C 0.820 176.714 175.900 -0.010 0.000 1.122 486 Y CA 0.146 58.162 58.100 -0.139 0.000 1.128 486 Y CB 0.608 39.005 38.460 -0.106 0.000 1.005 486 Y HN -0.092 nan 8.280 nan 0.000 0.509 487 T N -1.928 112.754 114.554 0.213 0.000 2.864 487 T HA 0.136 4.486 4.350 0.001 0.000 0.299 487 T C -0.212 174.618 174.700 0.217 0.000 1.166 487 T CA -0.708 61.533 62.100 0.235 0.000 1.007 487 T CB 1.735 70.726 68.868 0.205 0.000 1.219 487 T HN 0.035 nan 8.240 nan 0.000 0.506 488 Y N 2.507 122.884 120.300 0.129 0.000 1.993 488 Y HA -0.248 4.303 4.550 0.001 0.000 0.267 488 Y C 2.822 178.772 175.900 0.083 0.000 1.155 488 Y CA 2.885 61.040 58.100 0.092 0.000 1.105 488 Y CB -0.780 37.699 38.460 0.031 0.000 0.960 488 Y HN 0.725 nan 8.280 nan 0.000 0.486 489 S N -0.988 114.791 115.700 0.131 0.000 2.387 489 S HA -0.303 4.168 4.470 0.001 0.000 0.230 489 S C 2.309 176.868 174.600 -0.068 0.000 1.035 489 S CA 1.616 59.832 58.200 0.027 0.000 1.014 489 S CB -1.397 61.898 63.200 0.158 0.000 0.836 489 S HN 0.605 nan 8.310 nan 0.000 0.466 490 S N 2.011 117.687 115.700 -0.040 0.000 2.365 490 S HA -0.190 4.281 4.470 0.001 0.000 0.225 490 S C 1.938 176.437 174.600 -0.169 0.000 1.039 490 S CA 2.112 60.241 58.200 -0.118 0.000 1.033 490 S CB -1.460 61.659 63.200 -0.135 0.000 0.887 490 S HN 0.713 nan 8.310 nan 0.000 0.447 491 T N 2.959 117.401 114.554 -0.187 0.000 2.777 491 T HA 0.073 4.423 4.350 0.001 0.000 0.266 491 T C 1.825 176.410 174.700 -0.192 0.000 1.040 491 T CA 1.383 63.367 62.100 -0.193 0.000 1.141 491 T CB -0.441 68.290 68.868 -0.228 0.000 0.868 491 T HN 0.309 nan 8.240 nan 0.000 0.444 492 L N 0.839 121.897 121.223 -0.276 0.000 1.976 492 L HA -0.123 4.217 4.340 0.001 0.000 0.209 492 L C 2.920 179.718 176.870 -0.120 0.000 1.071 492 L CA 1.338 56.046 54.840 -0.219 0.000 0.746 492 L CB -0.804 41.109 42.059 -0.243 0.000 0.890 492 L HN 0.284 nan 8.230 nan 0.000 0.432 493 S N -1.505 114.132 115.700 -0.105 0.000 2.419 493 S HA -0.278 4.193 4.470 0.001 0.000 0.235 493 S C 1.915 176.502 174.600 -0.022 0.000 1.019 493 S CA 1.286 59.444 58.200 -0.071 0.000 0.982 493 S CB -0.449 62.702 63.200 -0.080 0.000 0.789 493 S HN 0.499 nan 8.310 nan 0.000 0.490 494 H N -0.590 118.384 119.070 -0.160 0.000 2.470 494 H HA 0.159 4.715 4.556 0.001 0.000 0.289 494 H C 1.496 176.750 175.328 -0.123 0.000 1.033 494 H CA 0.815 56.769 56.048 -0.157 0.000 1.331 494 H CB 0.106 29.745 29.762 -0.204 0.000 1.414 494 H HN 0.345 nan 8.280 nan 0.000 0.545 495 L N 0.165 121.353 121.223 -0.058 0.000 2.591 495 L HA 0.079 4.420 4.340 0.001 0.000 0.228 495 L C 1.249 178.082 176.870 -0.062 0.000 1.133 495 L CA 0.460 55.242 54.840 -0.096 0.000 0.880 495 L CB 0.272 42.284 42.059 -0.078 0.000 1.033 495 L HN 0.119 nan 8.230 nan 0.000 0.450 496 R N -0.403 120.069 120.500 -0.047 0.000 2.613 496 R HA 0.202 4.543 4.340 0.001 0.000 0.361 496 R C 0.296 176.572 176.300 -0.040 0.000 1.072 496 R CA -0.288 55.784 56.100 -0.046 0.000 1.089 496 R CB 0.479 30.748 30.300 -0.052 0.000 1.343 496 R HN 0.090 nan 8.270 nan 0.000 0.571 497 R N 0.818 121.302 120.500 -0.026 0.000 2.410 497 R HA 0.216 4.556 4.340 0.001 0.000 0.288 497 R C -0.733 175.546 176.300 -0.035 0.000 1.051 497 R CA 0.298 56.386 56.100 -0.020 0.000 1.021 497 R CB 1.024 31.346 30.300 0.036 0.000 1.032 497 R HN -0.157 nan 8.270 nan 0.000 0.481 498 T N 2.894 117.424 114.554 -0.040 0.000 2.885 498 T HA 0.342 4.693 4.350 0.001 0.000 0.285 498 T C -0.950 173.725 174.700 -0.043 0.000 1.019 498 T CA -0.693 61.384 62.100 -0.038 0.000 1.010 498 T CB 1.499 70.351 68.868 -0.027 0.000 1.022 498 T HN 0.610 nan 8.240 nan 0.000 0.466 499 N N 0.201 118.875 118.700 -0.043 0.000 2.469 499 N HA 0.747 5.487 4.740 0.001 0.000 0.286 499 N C -1.690 173.802 175.510 -0.030 0.000 1.275 499 N CA -0.485 52.538 53.050 -0.046 0.000 0.790 499 N CB 1.872 40.319 38.487 -0.065 0.000 1.446 499 N HN 0.579 nan 8.380 nan 0.000 0.501 500 T N 1.212 115.749 114.554 -0.029 0.000 3.705 500 T HA 0.379 4.729 4.350 0.001 0.000 0.342 500 T C -2.854 171.833 174.700 -0.021 0.000 1.043 500 T CA -0.599 61.492 62.100 -0.015 0.000 1.071 500 T CB 1.593 70.460 68.868 -0.002 0.000 1.124 500 T HN 0.344 nan 8.240 nan 0.000 0.467 501 P HA 0.542 nan 4.420 nan 0.000 0.276 501 P C -0.113 177.176 177.300 -0.018 0.000 1.261 501 P CA -0.890 62.198 63.100 -0.021 0.000 0.800 501 P CB 0.594 32.283 31.700 -0.018 0.000 1.066 502 I N -2.860 117.699 120.570 -0.019 0.000 3.617 502 I HA 0.680 4.850 4.170 0.001 0.000 0.283 502 I C 0.189 176.294 176.117 -0.019 0.000 1.160 502 I CA -1.234 60.054 61.300 -0.021 0.000 1.084 502 I CB 0.557 38.543 38.000 -0.023 0.000 1.365 502 I HN 0.414 nan 8.210 nan 0.000 0.494 503 G N 0.641 109.428 108.800 -0.022 0.000 4.975 503 G HA2 0.471 4.432 3.960 0.001 0.000 0.312 503 G HA3 0.471 4.432 3.960 0.001 0.000 0.312 503 G C 0.153 175.042 174.900 -0.018 0.000 1.425 503 G CA -0.142 44.947 45.100 -0.019 0.000 1.076 503 G HN 0.860 nan 8.290 nan 0.000 0.586 504 R N 1.134 121.624 120.500 -0.016 0.000 3.699 504 R HA -0.318 4.023 4.340 0.001 0.000 0.539 504 R C 1.590 177.879 176.300 -0.018 0.000 0.241 504 R CA 1.767 57.858 56.100 -0.015 0.000 1.674 504 R CB -1.108 29.184 30.300 -0.013 0.000 0.975 504 R HN 0.586 nan 8.270 nan 0.000 0.578 505 D N -1.494 118.895 120.400 -0.018 0.000 3.192 505 D HA -0.347 4.293 4.640 0.001 0.000 0.543 505 D C 1.201 177.487 176.300 -0.022 0.000 1.080 505 D CA 2.600 56.588 54.000 -0.019 0.000 1.545 505 D CB -1.603 39.185 40.800 -0.019 0.000 0.300 505 D HN 1.344 nan 8.370 nan 0.000 0.628 506 G N 1.656 110.441 108.800 -0.025 0.000 2.176 506 G HA2 -0.281 3.679 3.960 0.001 0.000 0.273 506 G HA3 -0.281 3.679 3.960 0.001 0.000 0.273 506 G C 0.447 175.330 174.900 -0.028 0.000 0.730 506 G CA 1.181 46.264 45.100 -0.029 0.000 0.879 506 G HN 0.598 nan 8.290 nan 0.000 0.454 507 K N -0.297 120.088 120.400 -0.026 0.000 2.684 507 K HA 0.211 4.532 4.320 0.001 0.000 0.215 507 K C 1.670 178.254 176.600 -0.026 0.000 1.073 507 K CA -0.387 55.885 56.287 -0.024 0.000 1.197 507 K CB 0.190 32.678 32.500 -0.021 0.000 0.955 507 K HN 0.379 nan 8.250 nan 0.000 0.473 508 L N -0.978 120.227 121.223 -0.030 0.000 2.201 508 L HA 0.060 4.400 4.340 0.001 0.000 0.212 508 L C 1.360 178.210 176.870 -0.034 0.000 1.105 508 L CA 1.236 56.056 54.840 -0.034 0.000 0.775 508 L CB -0.780 41.254 42.059 -0.041 0.000 0.913 508 L HN 0.236 nan 8.230 nan 0.000 0.440 509 A N -0.705 122.095 122.820 -0.034 0.000 3.383 509 A HA -0.363 3.957 4.320 0.001 0.000 0.264 509 A C 1.766 179.326 177.584 -0.040 0.000 1.154 509 A CA 1.447 53.465 52.037 -0.032 0.000 1.179 509 A CB -2.250 16.734 19.000 -0.026 0.000 1.133 509 A HN 0.650 nan 8.150 nan 0.000 0.933 510 K N -0.299 120.069 120.400 -0.052 0.000 2.057 510 K HA 0.054 4.375 4.320 0.001 0.000 0.206 510 K C -0.754 175.798 176.600 -0.080 0.000 1.050 510 K CA 1.939 58.184 56.287 -0.070 0.000 0.935 510 K CB -1.081 31.367 32.500 -0.087 0.000 0.715 510 K HN 0.482 nan 8.250 nan 0.000 0.439 511 P HA 0.100 nan 4.420 nan 0.000 0.212 511 P C 0.601 177.885 177.300 -0.025 0.000 1.163 511 P CA 0.769 63.836 63.100 -0.056 0.000 0.892 511 P CB 0.084 31.760 31.700 -0.040 0.000 0.766 512 R N -0.483 120.004 120.500 -0.021 0.000 2.228 512 R HA -0.202 4.138 4.340 0.001 0.000 0.264 512 R C 1.128 177.428 176.300 -0.001 0.000 1.179 512 R CA 1.062 57.154 56.100 -0.013 0.000 0.998 512 R CB -1.077 29.212 30.300 -0.019 0.000 0.885 512 R HN 0.316 nan 8.270 nan 0.000 0.466 513 Q N 0.918 120.714 119.800 -0.005 0.000 2.395 513 Q HA 0.044 4.385 4.340 0.001 0.000 0.271 513 Q C -0.802 175.225 176.000 0.044 0.000 1.026 513 Q CA 0.021 55.828 55.803 0.006 0.000 0.900 513 Q CB 0.633 29.368 28.738 -0.006 0.000 1.266 513 Q HN 0.062 nan 8.270 nan 0.000 0.430 514 L N 4.693 125.948 121.223 0.054 0.000 2.433 514 L HA 0.179 4.519 4.340 0.001 0.000 0.284 514 L C -0.851 176.066 176.870 0.078 0.000 1.120 514 L CA 0.260 55.167 54.840 0.113 0.000 0.879 514 L CB -0.470 41.626 42.059 0.061 0.000 1.232 514 L HN 0.647 nan 8.230 nan 0.000 0.454 515 H N 3.661 122.621 119.070 -0.183 0.000 2.615 515 H HA 0.249 4.806 4.556 0.001 0.000 0.363 515 H C 1.091 176.272 175.328 -0.245 0.000 1.148 515 H CA 0.412 56.226 56.048 -0.390 0.000 1.401 515 H CB 0.827 30.098 29.762 -0.818 0.000 1.461 515 H HN 0.711 nan 8.280 nan 0.000 0.588 516 N N 0.947 119.201 118.700 -0.743 0.000 2.025 516 N HA -0.209 4.531 4.740 0.001 0.000 0.194 516 N C 1.633 176.947 175.510 -0.327 0.000 1.044 516 N CA 2.175 54.945 53.050 -0.466 0.000 0.851 516 N CB -0.494 37.679 38.487 -0.523 0.000 1.036 516 N HN 0.788 nan 8.380 nan 0.000 0.422 517 T N -0.406 113.821 114.554 -0.545 0.000 2.918 517 T HA -0.181 4.169 4.350 0.001 0.000 0.271 517 T C 1.507 176.281 174.700 0.123 0.000 1.104 517 T CA 1.205 63.204 62.100 -0.169 0.000 1.114 517 T CB -0.488 68.251 68.868 -0.215 0.000 0.855 517 T HN 0.225 nan 8.240 nan 0.000 0.518 518 H N -0.395 118.654 119.070 -0.036 0.000 2.489 518 H HA 0.092 4.648 4.556 0.001 0.000 0.293 518 H C 1.002 176.335 175.328 0.008 0.000 1.066 518 H CA 0.132 56.101 56.048 -0.132 0.000 1.305 518 H CB -0.756 28.873 29.762 -0.221 0.000 1.386 518 H HN 0.598 nan 8.280 nan 0.000 0.551 519 W N 2.199 123.515 121.300 0.026 0.000 2.391 519 W HA 0.057 4.717 4.660 0.001 0.000 0.339 519 W C 1.162 177.695 176.519 0.024 0.000 1.252 519 W CA 1.929 59.275 57.345 0.002 0.000 1.304 519 W CB 0.032 29.471 29.460 -0.035 0.000 1.179 519 W HN 0.528 nan 8.180 nan 0.000 0.567 520 G N 3.971 112.378 108.800 -0.655 0.000 2.377 520 G HA2 -0.366 3.594 3.960 0.001 0.000 0.250 520 G HA3 -0.366 3.594 3.960 0.001 0.000 0.250 520 G C 0.893 175.729 174.900 -0.107 0.000 1.039 520 G CA 0.780 45.656 45.100 -0.375 0.000 0.625 520 G HN 0.588 nan 8.290 nan 0.000 0.526 521 L N -0.331 120.893 121.223 0.001 0.000 2.357 521 L HA 0.381 4.721 4.340 0.001 0.000 0.211 521 L C 0.945 177.808 176.870 -0.012 0.000 1.075 521 L CA 0.506 55.384 54.840 0.064 0.000 0.830 521 L CB 0.169 42.395 42.059 0.278 0.000 0.996 521 L HN 0.184 nan 8.230 nan 0.000 0.467 522 V N -1.163 118.683 119.914 -0.114 0.000 3.001 522 V HA 0.241 4.361 4.120 0.001 0.000 0.314 522 V C -0.553 175.427 176.094 -0.191 0.000 1.099 522 V CA -1.154 61.024 62.300 -0.203 0.000 0.989 522 V CB 2.808 34.362 31.823 -0.448 0.000 1.040 522 V HN 0.123 nan 8.190 nan 0.000 0.434 523 C N 5.107 124.305 119.300 -0.169 0.000 2.514 523 C HA 0.428 4.888 4.460 0.001 0.000 0.392 523 C C -0.365 174.546 174.990 -0.130 0.000 1.294 523 C CA -1.096 57.838 59.018 -0.140 0.000 1.957 523 C CB 0.635 28.308 27.740 -0.110 0.000 2.541 523 C HN 0.850 nan 8.230 nan 0.000 0.569 524 P HA 0.051 nan 4.420 nan 0.000 0.236 524 P C 0.675 177.939 177.300 -0.061 0.000 1.177 524 P CA 1.317 64.377 63.100 -0.067 0.000 0.773 524 P CB 0.279 31.953 31.700 -0.042 0.000 0.878 525 A N -0.069 122.710 122.820 -0.068 0.000 2.026 525 A HA 0.080 4.400 4.320 0.001 0.000 0.201 525 A C 1.494 179.036 177.584 -0.069 0.000 1.318 525 A CA -0.003 51.994 52.037 -0.067 0.000 0.857 525 A CB -0.381 18.585 19.000 -0.058 0.000 0.939 525 A HN 0.051 nan 8.150 nan 0.000 0.476 526 E N 1.626 121.784 120.200 -0.070 0.000 1.972 526 E HA 0.198 4.549 4.350 0.001 0.000 0.292 526 E C -0.893 175.667 176.600 -0.066 0.000 1.193 526 E CA 0.003 56.364 56.400 -0.063 0.000 1.228 526 E CB -0.254 29.406 29.700 -0.066 0.000 1.167 526 E HN 0.243 nan 8.360 nan 0.000 0.479 527 T N 3.032 117.553 114.554 -0.056 0.000 2.893 527 T HA 0.435 4.785 4.350 0.001 0.000 0.293 527 T C -2.580 172.103 174.700 -0.029 0.000 1.027 527 T CA -1.920 60.148 62.100 -0.053 0.000 0.988 527 T CB 1.570 70.402 68.868 -0.060 0.000 1.043 527 T HN 0.207 nan 8.240 nan 0.000 0.461 528 P HA 0.178 nan 4.420 nan 0.000 0.269 528 P C -0.565 176.739 177.300 0.007 0.000 1.217 528 P CA -0.116 62.978 63.100 -0.011 0.000 0.783 528 P CB 0.670 32.354 31.700 -0.027 0.000 0.898 529 E N 0.021 120.238 120.200 0.028 0.000 2.283 529 E HA 0.429 4.780 4.350 0.001 0.000 0.271 529 E C 0.758 177.367 176.600 0.015 0.000 1.031 529 E CA -0.469 55.956 56.400 0.043 0.000 0.868 529 E CB 0.539 30.286 29.700 0.077 0.000 1.094 529 E HN 0.743 nan 8.360 nan 0.000 0.401 530 G N 1.790 110.598 108.800 0.014 0.000 2.726 530 G HA2 -0.426 3.534 3.960 0.001 0.000 0.261 530 G HA3 -0.426 3.534 3.960 0.001 0.000 0.261 530 G C 0.621 175.515 174.900 -0.010 0.000 1.352 530 G CA 0.629 45.729 45.100 -0.001 0.000 0.906 530 G HN 0.954 nan 8.290 nan 0.000 0.566 531 Q N -2.496 117.296 119.800 -0.014 0.000 2.632 531 Q HA -0.368 3.972 4.340 0.001 0.000 0.459 531 Q C 1.826 177.814 176.000 -0.019 0.000 0.530 531 Q CA 3.173 58.966 55.803 -0.018 0.000 1.014 531 Q CB -1.701 27.025 28.738 -0.020 0.000 1.769 531 Q HN 2.488 nan 8.270 nan 0.000 1.079 532 A N 1.010 123.816 122.820 -0.022 0.000 2.929 532 A HA 0.380 4.700 4.320 0.001 0.000 0.279 532 A C 0.482 178.050 177.584 -0.026 0.000 1.418 532 A CA 0.138 52.159 52.037 -0.026 0.000 1.035 532 A CB -0.641 18.341 19.000 -0.030 0.000 1.047 532 A HN 0.578 nan 8.150 nan 0.000 0.609 533 C N -0.206 119.082 119.300 -0.020 0.000 2.637 533 C HA 0.501 4.962 4.460 0.001 0.000 0.418 533 C C 1.855 176.830 174.990 -0.025 0.000 1.319 533 C CA 1.101 60.107 59.018 -0.019 0.000 1.949 533 C CB -0.947 26.788 27.740 -0.010 0.000 2.639 533 C HN 1.754 nan 8.230 nan 0.000 0.594 534 G N 4.296 113.076 108.800 -0.033 0.000 2.267 534 G HA2 -0.272 3.688 3.960 0.001 0.000 0.257 534 G HA3 -0.272 3.688 3.960 0.001 0.000 0.257 534 G C 0.574 175.451 174.900 -0.038 0.000 0.998 534 G CA 0.750 45.830 45.100 -0.034 0.000 0.620 534 G HN 0.823 nan 8.290 nan 0.000 0.529 535 L N 0.155 121.357 121.223 -0.036 0.000 2.446 535 L HA 0.309 4.650 4.340 0.001 0.000 0.219 535 L C 0.794 177.638 176.870 -0.043 0.000 1.116 535 L CA 0.292 55.112 54.840 -0.033 0.000 0.844 535 L CB 0.380 42.422 42.059 -0.029 0.000 0.970 535 L HN 0.132 nan 8.230 nan 0.000 0.457 536 V N 1.806 121.689 119.914 -0.052 0.000 2.328 536 V HA 0.243 4.364 4.120 0.001 0.000 0.278 536 V C 0.003 176.050 176.094 -0.079 0.000 1.021 536 V CA -0.668 61.597 62.300 -0.059 0.000 0.838 536 V CB 1.170 32.960 31.823 -0.054 0.000 0.999 536 V HN 0.174 nan 8.190 nan 0.000 0.447 537 K N 3.805 124.149 120.400 -0.093 0.000 2.245 537 K HA 0.596 4.916 4.320 0.001 0.000 0.234 537 K C -0.769 175.768 176.600 -0.104 0.000 1.021 537 K CA -0.976 55.231 56.287 -0.133 0.000 0.898 537 K CB 1.739 34.111 32.500 -0.213 0.000 1.163 537 K HN 0.451 nan 8.250 nan 0.000 0.459 538 N N 1.340 119.969 118.700 -0.118 0.000 2.410 538 N HA 0.244 4.984 4.740 0.001 0.000 0.287 538 N C -0.758 174.697 175.510 -0.091 0.000 1.044 538 N CA -0.473 52.523 53.050 -0.090 0.000 0.881 538 N CB 1.642 40.079 38.487 -0.083 0.000 1.405 538 N HN 0.334 nan 8.380 nan 0.000 0.490 539 L N 1.802 122.985 121.223 -0.067 0.000 2.525 539 L HA 0.025 4.366 4.340 0.001 0.000 0.278 539 L C 1.219 178.053 176.870 -0.060 0.000 1.218 539 L CA 0.325 55.132 54.840 -0.056 0.000 0.878 539 L CB 0.070 42.100 42.059 -0.048 0.000 1.127 539 L HN 0.419 nan 8.230 nan 0.000 0.492 540 S N 2.551 118.215 115.700 -0.060 0.000 2.606 540 S HA 0.151 4.622 4.470 0.001 0.000 0.257 540 S C 1.418 176.012 174.600 -0.010 0.000 1.327 540 S CA -0.737 57.429 58.200 -0.056 0.000 0.984 540 S CB 0.736 63.887 63.200 -0.081 0.000 0.941 540 S HN 0.478 nan 8.310 nan 0.000 0.576 541 L N 0.475 121.716 121.223 0.030 0.000 1.970 541 L HA -0.160 4.180 4.340 0.001 0.000 0.212 541 L C 2.395 179.388 176.870 0.204 0.000 1.071 541 L CA 1.504 56.428 54.840 0.141 0.000 0.751 541 L CB -0.398 41.783 42.059 0.204 0.000 0.889 541 L HN 0.653 nan 8.230 nan 0.000 0.432 542 M N -0.507 119.192 119.600 0.164 0.000 2.506 542 M HA 0.017 4.497 4.480 0.001 0.000 0.260 542 M C 1.077 177.442 176.300 0.109 0.000 1.104 542 M CA 0.120 55.570 55.300 0.249 0.000 1.112 542 M CB -0.386 32.298 32.600 0.141 0.000 1.401 542 M HN 0.265 nan 8.290 nan 0.000 0.473 543 S N 0.399 116.091 115.700 -0.012 0.000 2.568 543 S HA 0.262 4.732 4.470 0.001 0.000 0.282 543 S C -0.006 174.447 174.600 -0.245 0.000 1.338 543 S CA -0.790 57.328 58.200 -0.137 0.000 1.045 543 S CB 0.600 63.744 63.200 -0.094 0.000 0.873 543 S HN 0.379 nan 8.310 nan 0.000 0.516 544 C N 1.479 120.436 119.300 -0.571 0.000 3.213 544 C HA 0.663 5.123 4.460 0.001 0.000 0.319 544 C C -0.338 174.172 174.990 -0.800 0.000 1.386 544 C CA -1.041 57.596 59.018 -0.636 0.000 1.494 544 C CB 0.787 28.121 27.740 -0.676 0.000 1.905 544 C HN 0.913 nan 8.230 nan 0.000 0.456 545 I N 2.037 122.348 120.570 -0.432 0.000 2.406 545 I HA 0.327 4.497 4.170 0.001 0.000 0.290 545 I C 0.567 176.696 176.117 0.021 0.000 0.999 545 I CA 0.118 61.288 61.300 -0.217 0.000 1.124 545 I CB 1.749 39.687 38.000 -0.104 0.000 1.289 545 I HN 0.832 nan 8.210 nan 0.000 0.441 546 S N 4.592 120.430 115.700 0.231 0.000 2.558 546 S HA 0.018 4.489 4.470 0.001 0.000 0.291 546 S C 0.644 175.335 174.600 0.151 0.000 1.306 546 S CA -0.389 57.997 58.200 0.309 0.000 1.056 546 S CB 1.519 64.858 63.200 0.232 0.000 0.836 546 S HN 0.578 nan 8.310 nan 0.000 0.504 547 V N 2.783 122.780 119.914 0.139 0.000 3.125 547 V HA 0.518 4.638 4.120 0.001 0.000 0.249 547 V C 0.993 177.133 176.094 0.077 0.000 1.113 547 V CA 1.202 63.555 62.300 0.088 0.000 1.106 547 V CB -0.469 31.392 31.823 0.064 0.000 0.768 547 V HN 1.837 nan 8.190 nan 0.000 0.468 548 G N 0.864 109.716 108.800 0.086 0.000 2.730 548 G HA2 -0.048 3.913 3.960 0.001 0.000 0.644 548 G HA3 -0.048 3.913 3.960 0.001 0.000 0.644 548 G C -0.334 174.619 174.900 0.088 0.000 1.168 548 G CA -0.103 45.049 45.100 0.087 0.000 1.240 548 G HN 0.440 nan 8.290 nan 0.000 0.551 549 T N 1.159 115.766 114.554 0.088 0.000 2.833 549 T HA 0.549 4.899 4.350 0.001 0.000 0.292 549 T C 0.129 174.883 174.700 0.090 0.000 1.031 549 T CA -0.205 61.947 62.100 0.087 0.000 0.937 549 T CB 1.107 70.014 68.868 0.065 0.000 1.256 549 T HN 0.531 nan 8.240 nan 0.000 0.551 550 D N 0.315 120.764 120.400 0.081 0.000 2.185 550 D HA 0.281 4.921 4.640 0.001 0.000 0.247 550 D C -1.445 174.887 176.300 0.054 0.000 1.027 550 D CA -2.235 51.809 54.000 0.073 0.000 0.861 550 D CB 2.055 42.897 40.800 0.071 0.000 1.202 550 D HN 0.106 nan 8.370 nan 0.000 0.453 551 P HA -0.107 nan 4.420 nan 0.000 0.215 551 P C 1.700 179.008 177.300 0.013 0.000 1.157 551 P CA 0.625 63.748 63.100 0.038 0.000 0.856 551 P CB 0.492 32.229 31.700 0.062 0.000 0.786 552 M N 1.018 120.629 119.600 0.019 0.000 2.894 552 M HA -0.164 4.317 4.480 0.001 0.000 0.268 552 M C -0.616 175.700 176.300 0.026 0.000 1.054 552 M CA 3.007 58.315 55.300 0.013 0.000 1.062 552 M CB -2.787 29.829 32.600 0.027 0.000 1.242 552 M HN 0.011 nan 8.290 nan 0.000 0.508 553 P HA -0.180 nan 4.420 nan 0.000 0.220 553 P C 1.302 178.648 177.300 0.077 0.000 1.142 553 P CA 1.751 64.891 63.100 0.067 0.000 0.801 553 P CB -0.387 31.344 31.700 0.051 0.000 0.764 554 I N -2.453 118.128 120.570 0.018 0.000 3.526 554 I HA 0.023 4.194 4.170 0.001 0.000 0.294 554 I C 2.560 178.679 176.117 0.003 0.000 1.229 554 I CA 0.189 61.472 61.300 -0.028 0.000 1.408 554 I CB -0.164 37.789 38.000 -0.079 0.000 1.127 554 I HN -0.196 nan 8.210 nan 0.000 0.439 555 I N 0.773 121.321 120.570 -0.036 0.000 2.235 555 I HA -0.195 3.975 4.170 0.001 0.000 0.241 555 I C 2.553 178.650 176.117 -0.032 0.000 1.085 555 I CA 1.395 62.613 61.300 -0.137 0.000 1.378 555 I CB -0.407 37.441 38.000 -0.253 0.000 1.076 555 I HN 0.167 nan 8.210 nan 0.000 0.415 556 T N 1.309 115.875 114.554 0.020 0.000 2.555 556 T HA -0.295 4.055 4.350 0.001 0.000 0.264 556 T C 1.725 176.508 174.700 0.137 0.000 1.083 556 T CA 2.099 64.234 62.100 0.060 0.000 1.179 556 T CB -0.687 68.222 68.868 0.068 0.000 0.863 556 T HN 0.322 nan 8.240 nan 0.000 0.412 557 F N 1.217 121.180 119.950 0.020 0.000 2.087 557 F HA -0.210 4.318 4.527 0.001 0.000 0.299 557 F C 2.122 177.980 175.800 0.097 0.000 1.100 557 F CA 1.226 59.267 58.000 0.068 0.000 1.226 557 F CB -0.332 38.675 39.000 0.011 0.000 0.983 557 F HN 0.091 nan 8.300 nan 0.000 0.479 558 L N 0.224 121.721 121.223 0.457 0.000 1.944 558 L HA -0.364 3.976 4.340 0.001 0.000 0.218 558 L C 2.907 179.908 176.870 0.218 0.000 1.075 558 L CA 2.150 57.171 54.840 0.303 0.000 0.767 558 L CB -0.935 41.188 42.059 0.105 0.000 0.890 558 L HN 0.405 nan 8.230 nan 0.000 0.434 559 S N -0.807 114.966 115.700 0.121 0.000 2.380 559 S HA -0.302 4.168 4.470 0.001 0.000 0.229 559 S C 1.377 176.033 174.600 0.094 0.000 1.043 559 S CA 1.577 59.832 58.200 0.092 0.000 1.038 559 S CB -0.778 62.447 63.200 0.041 0.000 0.872 559 S HN 0.464 nan 8.310 nan 0.000 0.456 560 E N -0.262 119.980 120.200 0.070 0.000 2.506 560 E HA 0.015 4.365 4.350 0.001 0.000 0.210 560 E C -0.671 175.909 176.600 -0.033 0.000 1.325 560 E CA -0.032 56.354 56.400 -0.024 0.000 1.273 560 E CB -0.264 29.385 29.700 -0.085 0.000 1.276 560 E HN 0.779 nan 8.360 nan 0.000 0.442 561 W N -1.244 120.021 121.300 -0.059 0.000 0.803 561 W HA 0.191 4.851 4.660 0.001 0.000 0.155 561 W C 0.859 177.470 176.519 0.154 0.000 0.662 561 W CA 0.137 57.473 57.345 -0.014 0.000 0.664 561 W CB 0.947 30.388 29.460 -0.033 0.000 0.754 561 W HN 0.162 nan 8.180 nan 0.000 0.378 562 G N 0.856 109.855 108.800 0.332 0.000 2.273 562 G HA2 -0.191 3.769 3.960 0.001 0.000 0.162 562 G HA3 -0.191 3.769 3.960 0.001 0.000 0.162 562 G C -0.032 175.172 174.900 0.508 0.000 1.006 562 G CA -0.316 45.046 45.100 0.436 0.000 0.704 562 G HN 0.045 nan 8.290 nan 0.000 0.487 563 M N 2.630 122.441 119.600 0.353 0.000 2.341 563 M HA 0.511 4.991 4.480 0.001 0.000 0.336 563 M C 0.159 176.529 176.300 0.117 0.000 1.489 563 M CA 0.241 55.680 55.300 0.231 0.000 1.278 563 M CB -0.104 32.585 32.600 0.148 0.000 1.657 563 M HN 0.184 nan 8.290 nan 0.000 0.455 564 E N 7.729 127.981 120.200 0.086 0.000 2.105 564 E HA 0.233 4.584 4.350 0.001 0.000 0.285 564 E C -2.222 174.368 176.600 -0.017 0.000 1.055 564 E CA -1.876 54.544 56.400 0.033 0.000 0.843 564 E CB 0.153 29.873 29.700 0.034 0.000 1.067 564 E HN 0.491 nan 8.360 nan 0.000 0.398 565 P HA -0.117 nan 4.420 nan 0.000 0.263 565 P C 0.725 177.942 177.300 -0.138 0.000 1.195 565 P CA -0.032 63.035 63.100 -0.054 0.000 0.762 565 P CB 0.966 32.670 31.700 0.007 0.000 0.799 566 L N 4.372 125.412 121.223 -0.306 0.000 2.030 566 L HA -0.327 4.013 4.340 0.001 0.000 0.222 566 L C 2.324 179.040 176.870 -0.257 0.000 1.082 566 L CA 2.147 56.656 54.840 -0.550 0.000 0.785 566 L CB -0.899 40.742 42.059 -0.698 0.000 0.895 566 L HN 0.381 nan 8.230 nan 0.000 0.439 567 E N 0.272 120.436 120.200 -0.061 0.000 2.446 567 E HA -0.287 4.063 4.350 0.001 0.000 0.248 567 E C 0.727 177.398 176.600 0.118 0.000 1.081 567 E CA 2.109 58.562 56.400 0.089 0.000 1.143 567 E CB -1.278 28.484 29.700 0.103 0.000 1.012 567 E HN 0.821 nan 8.360 nan 0.000 0.487 568 D N -0.694 119.746 120.400 0.067 0.000 2.551 568 D HA 0.130 4.770 4.640 0.001 0.000 0.294 568 D C -0.520 175.823 176.300 0.070 0.000 1.201 568 D CA -0.528 53.526 54.000 0.089 0.000 0.941 568 D CB -0.288 40.546 40.800 0.056 0.000 0.995 568 D HN 0.027 nan 8.370 nan 0.000 0.502 569 Y N 1.348 121.586 120.300 -0.104 0.000 2.453 569 Y HA 0.467 5.017 4.550 0.001 0.000 0.326 569 Y C -0.453 175.450 175.900 0.005 0.000 1.186 569 Y CA -1.065 56.898 58.100 -0.230 0.000 1.200 569 Y CB 1.714 39.700 38.460 -0.791 0.000 1.247 569 Y HN 0.137 nan 8.280 nan 0.000 0.482 570 V N 4.037 123.487 119.914 -0.774 0.000 2.722 570 V HA 0.292 4.413 4.120 0.001 0.000 0.260 570 V C -2.217 173.447 176.094 -0.716 0.000 0.941 570 V CA -1.418 60.601 62.300 -0.469 0.000 0.888 570 V CB 0.725 32.453 31.823 -0.159 0.000 1.059 570 V HN 0.701 nan 8.190 nan 0.000 0.486 571 P HA -0.326 nan 4.420 nan 0.000 0.224 571 P C 1.168 178.232 177.300 -0.393 0.000 1.130 571 P CA 2.919 65.600 63.100 -0.699 0.000 0.976 571 P CB 0.015 31.320 31.700 -0.657 0.000 0.781 572 H N -0.426 118.556 119.070 -0.146 0.000 2.357 572 H HA -0.078 4.478 4.556 0.001 0.000 0.301 572 H C 2.433 177.715 175.328 -0.075 0.000 1.082 572 H CA 1.540 57.549 56.048 -0.064 0.000 1.342 572 H CB -1.445 28.287 29.762 -0.051 0.000 1.389 572 H HN 0.299 nan 8.280 nan 0.000 0.511 573 Q N 1.215 121.055 119.800 0.066 0.000 2.234 573 Q HA -0.073 4.267 4.340 0.001 0.000 0.206 573 Q C -0.051 175.931 176.000 -0.029 0.000 0.980 573 Q CA 1.430 57.228 55.803 -0.008 0.000 0.869 573 Q CB 0.229 28.937 28.738 -0.049 0.000 0.912 573 Q HN 0.399 nan 8.270 nan 0.000 0.436 574 S N 1.273 116.929 115.700 -0.074 0.000 2.158 574 S HA 0.225 4.695 4.470 0.001 0.000 0.160 574 S C -2.191 172.457 174.600 0.081 0.000 1.693 574 S CA -1.066 57.137 58.200 0.005 0.000 1.251 574 S CB 1.609 64.827 63.200 0.030 0.000 1.153 574 S HN 0.289 nan 8.310 nan 0.000 0.439 575 P HA -0.086 nan 4.420 nan 0.000 0.212 575 P C 0.310 177.708 177.300 0.165 0.000 1.180 575 P CA 1.358 64.533 63.100 0.125 0.000 0.906 575 P CB 0.032 31.789 31.700 0.094 0.000 0.782 576 D N 0.067 120.542 120.400 0.126 0.000 2.390 576 D HA 0.162 4.803 4.640 0.001 0.000 0.235 576 D C 0.647 177.033 176.300 0.143 0.000 1.040 576 D CA 0.194 54.267 54.000 0.121 0.000 0.923 576 D CB -0.900 39.951 40.800 0.086 0.000 0.886 576 D HN 0.225 nan 8.370 nan 0.000 0.532 577 A N 0.219 123.155 122.820 0.194 0.000 2.598 577 A HA 0.040 4.360 4.320 0.001 0.000 0.239 577 A C 0.717 178.414 177.584 0.189 0.000 1.032 577 A CA 0.541 52.712 52.037 0.222 0.000 0.760 577 A CB 0.079 19.311 19.000 0.388 0.000 0.946 577 A HN 0.111 nan 8.150 nan 0.000 0.512 578 T N 4.483 119.126 114.554 0.148 0.000 3.375 578 T HA 0.267 4.618 4.350 0.001 0.000 0.363 578 T C 0.419 175.175 174.700 0.093 0.000 1.837 578 T CA -0.473 61.698 62.100 0.118 0.000 1.445 578 T CB -0.419 68.521 68.868 0.120 0.000 1.089 578 T HN 0.791 nan 8.240 nan 0.000 0.722 579 R N 0.893 121.438 120.500 0.075 0.000 2.481 579 R HA 0.079 4.420 4.340 0.001 0.000 0.291 579 R C -0.744 175.448 176.300 -0.180 0.000 0.934 579 R CA -0.112 56.013 56.100 0.042 0.000 1.116 579 R CB -0.228 30.016 30.300 -0.092 0.000 0.895 579 R HN 0.146 nan 8.270 nan 0.000 0.410 580 V N 5.518 125.385 119.914 -0.078 0.000 2.383 580 V HA 0.303 4.423 4.120 0.001 0.000 0.275 580 V C -0.253 175.722 176.094 -0.198 0.000 1.036 580 V CA -0.363 61.880 62.300 -0.096 0.000 0.889 580 V CB 0.589 32.426 31.823 0.024 0.000 0.985 580 V HN 0.564 nan 8.190 nan 0.000 0.459 581 F N 3.727 123.612 119.950 -0.108 0.000 2.443 581 F HA 0.629 5.156 4.527 0.001 0.000 0.335 581 F C 0.073 175.756 175.800 -0.194 0.000 1.104 581 F CA -0.694 57.195 58.000 -0.186 0.000 1.013 581 F CB 2.023 40.840 39.000 -0.305 0.000 1.136 581 F HN 0.163 nan 8.300 nan 0.000 0.470 582 V N 4.089 124.045 119.914 0.071 0.000 2.419 582 V HA 0.271 4.391 4.120 0.001 0.000 0.287 582 V C -0.652 175.418 176.094 -0.041 0.000 1.017 582 V CA -0.885 61.415 62.300 -0.000 0.000 0.844 582 V CB 1.186 33.130 31.823 0.203 0.000 1.011 582 V HN 0.874 nan 8.190 nan 0.000 0.429 583 N N 4.175 122.747 118.700 -0.213 0.000 2.754 583 N HA -0.176 4.564 4.740 0.001 0.000 0.248 583 N C 0.971 176.498 175.510 0.029 0.000 1.093 583 N CA 1.745 54.781 53.050 -0.023 0.000 0.699 583 N CB -1.102 37.441 38.487 0.093 0.000 1.016 583 N HN 1.540 nan 8.380 nan 0.000 0.552 584 G N -2.368 106.388 108.800 -0.075 0.000 2.198 584 G HA2 -0.223 3.737 3.960 0.001 0.000 0.257 584 G HA3 -0.223 3.737 3.960 0.001 0.000 0.257 584 G C -0.209 174.737 174.900 0.077 0.000 1.042 584 G CA 0.355 45.442 45.100 -0.022 0.000 0.791 584 G HN 0.661 nan 8.290 nan 0.000 0.502 585 V N -0.125 119.811 119.914 0.037 0.000 2.638 585 V HA 0.594 4.714 4.120 0.001 0.000 0.306 585 V C -0.250 175.780 176.094 -0.106 0.000 1.052 585 V CA -1.226 60.976 62.300 -0.163 0.000 0.885 585 V CB 1.879 33.473 31.823 -0.382 0.000 0.999 585 V HN 0.343 nan 8.190 nan 0.000 0.424 586 W N 5.150 126.273 121.300 -0.293 0.000 2.481 586 W HA 0.390 5.050 4.660 0.001 0.000 0.320 586 W C 0.528 176.738 176.519 -0.514 0.000 1.209 586 W CA -0.509 56.566 57.345 -0.450 0.000 1.400 586 W CB 0.088 29.358 29.460 -0.316 0.000 1.361 586 W HN 0.632 nan 8.180 nan 0.000 0.456 587 H N 4.837 123.928 119.070 0.034 0.000 2.640 587 H HA 0.304 4.860 4.556 0.001 0.000 0.312 587 H C 1.287 176.499 175.328 -0.192 0.000 1.110 587 H CA 0.753 56.737 56.048 -0.106 0.000 1.098 587 H CB -0.266 29.465 29.762 -0.050 0.000 1.485 587 H HN 0.645 nan 8.280 nan 0.000 0.526 588 G N 0.055 108.613 108.800 -0.402 0.000 2.681 588 G HA2 -0.223 3.737 3.960 0.001 0.000 0.220 588 G HA3 -0.223 3.737 3.960 0.001 0.000 0.220 588 G C -0.699 174.058 174.900 -0.238 0.000 1.353 588 G CA -0.291 44.490 45.100 -0.532 0.000 0.872 588 G HN 0.255 nan 8.290 nan 0.000 0.557 589 V N -0.207 119.600 119.914 -0.178 0.000 2.994 589 V HA 0.815 4.935 4.120 0.001 0.000 0.318 589 V C 0.039 176.203 176.094 0.116 0.000 1.085 589 V CA -0.113 62.194 62.300 0.012 0.000 0.998 589 V CB 1.974 33.806 31.823 0.016 0.000 1.063 589 V HN 1.283 nan 8.190 nan 0.000 0.447 590 H N 1.063 120.167 119.070 0.056 0.000 2.717 590 H HA 0.602 5.159 4.556 0.001 0.000 0.366 590 H C 0.309 175.688 175.328 0.084 0.000 1.132 590 H CA -0.676 55.416 56.048 0.073 0.000 1.180 590 H CB 1.387 31.198 29.762 0.082 0.000 1.678 590 H HN 0.515 nan 8.280 nan 0.000 0.537 591 R N 1.452 121.580 120.500 -0.619 0.000 1.451 591 R HA -0.027 4.314 4.340 0.001 0.000 0.066 591 R C 0.222 176.362 176.300 -0.266 0.000 0.461 591 R CA -0.305 55.585 56.100 -0.350 0.000 2.066 591 R CB -0.577 29.550 30.300 -0.289 0.000 0.491 591 R HN 0.753 nan 8.270 nan 0.000 0.765 592 N N 3.250 121.877 118.700 -0.122 0.000 2.276 592 N HA -0.087 4.653 4.740 0.001 0.000 0.279 592 N C -1.661 174.007 175.510 0.264 0.000 1.379 592 N CA -0.291 52.796 53.050 0.063 0.000 0.886 592 N CB 0.564 39.100 38.487 0.081 0.000 1.199 592 N HN 0.209 nan 8.380 nan 0.000 0.493 593 P HA 0.009 nan 4.420 nan 0.000 0.224 593 P C 1.026 178.427 177.300 0.167 0.000 1.159 593 P CA 0.497 63.799 63.100 0.336 0.000 0.824 593 P CB 0.089 31.933 31.700 0.241 0.000 0.833 594 A N 1.484 124.383 122.820 0.131 0.000 1.915 594 A HA -0.254 4.066 4.320 0.001 0.000 0.220 594 A C 2.427 180.059 177.584 0.081 0.000 1.198 594 A CA 1.834 53.923 52.037 0.086 0.000 0.647 594 A CB -1.163 17.884 19.000 0.078 0.000 0.825 594 A HN 0.040 nan 8.150 nan 0.000 0.456 595 R N -1.267 119.309 120.500 0.128 0.000 2.066 595 R HA -0.087 4.253 4.340 0.001 0.000 0.232 595 R C 2.188 178.537 176.300 0.080 0.000 1.131 595 R CA 1.401 57.582 56.100 0.135 0.000 0.955 595 R CB -1.319 29.113 30.300 0.220 0.000 0.851 595 R HN 0.572 nan 8.270 nan 0.000 0.432 596 L N 1.115 122.392 121.223 0.089 0.000 1.990 596 L HA -0.211 4.129 4.340 0.001 0.000 0.213 596 L C 2.405 179.195 176.870 -0.133 0.000 1.072 596 L CA 1.870 56.659 54.840 -0.085 0.000 0.755 596 L CB -0.696 41.185 42.059 -0.296 0.000 0.889 596 L HN 0.070 nan 8.230 nan 0.000 0.432 597 M N -0.053 119.505 119.600 -0.069 0.000 2.163 597 M HA -0.266 4.214 4.480 0.001 0.000 0.258 597 M C 2.229 178.474 176.300 -0.091 0.000 1.071 597 M CA 2.239 57.496 55.300 -0.071 0.000 1.093 597 M CB -0.815 31.774 32.600 -0.018 0.000 1.285 597 M HN 0.418 nan 8.290 nan 0.000 0.420 598 E N -0.806 119.360 120.200 -0.056 0.000 2.233 598 E HA -0.163 4.187 4.350 0.001 0.000 0.199 598 E C 1.713 178.244 176.600 -0.115 0.000 1.004 598 E CA 2.056 58.420 56.400 -0.059 0.000 0.819 598 E CB -0.547 29.144 29.700 -0.015 0.000 0.738 598 E HN 0.667 nan 8.360 nan 0.000 0.478 599 T N 0.336 114.775 114.554 -0.191 0.000 2.732 599 T HA -0.043 4.308 4.350 0.001 0.000 0.261 599 T C 1.853 176.359 174.700 -0.323 0.000 1.040 599 T CA 1.263 63.162 62.100 -0.335 0.000 1.145 599 T CB -0.199 68.254 68.868 -0.691 0.000 0.866 599 T HN 0.137 nan 8.240 nan 0.000 0.427 600 L N 0.555 121.576 121.223 -0.337 0.000 2.017 600 L HA -0.065 4.275 4.340 0.001 0.000 0.208 600 L C 2.906 179.632 176.870 -0.240 0.000 1.073 600 L CA 1.376 55.998 54.840 -0.364 0.000 0.745 600 L CB -0.647 41.214 42.059 -0.330 0.000 0.894 600 L HN 0.165 nan 8.230 nan 0.000 0.432 601 R N -0.374 120.027 120.500 -0.166 0.000 2.117 601 R HA -0.144 4.197 4.340 0.001 0.000 0.243 601 R C 2.217 178.446 176.300 -0.119 0.000 1.143 601 R CA 1.906 57.937 56.100 -0.114 0.000 0.968 601 R CB -0.701 29.555 30.300 -0.074 0.000 0.863 601 R HN 0.368 nan 8.270 nan 0.000 0.444 602 T N 1.372 115.850 114.554 -0.128 0.000 2.942 602 T HA 0.027 4.377 4.350 0.001 0.000 0.265 602 T C 1.781 176.413 174.700 -0.113 0.000 1.062 602 T CA 0.407 62.444 62.100 -0.105 0.000 1.139 602 T CB 0.063 68.881 68.868 -0.084 0.000 0.883 602 T HN 0.059 nan 8.240 nan 0.000 0.468 603 L N 1.157 122.282 121.223 -0.164 0.000 2.027 603 L HA -0.021 4.319 4.340 0.001 0.000 0.206 603 L C 2.753 179.534 176.870 -0.149 0.000 1.074 603 L CA 1.587 56.327 54.840 -0.166 0.000 0.745 603 L CB -0.746 41.119 42.059 -0.323 0.000 0.898 603 L HN 0.252 nan 8.230 nan 0.000 0.433 604 R N 0.777 121.175 120.500 -0.169 0.000 2.064 604 R HA -0.157 4.184 4.340 0.001 0.000 0.228 604 R C 2.061 178.282 176.300 -0.132 0.000 1.144 604 R CA 1.169 57.181 56.100 -0.147 0.000 0.932 604 R CB -0.261 29.951 30.300 -0.146 0.000 0.833 604 R HN 0.272 nan 8.270 nan 0.000 0.429 605 R N 0.504 120.927 120.500 -0.129 0.000 2.438 605 R HA -0.155 4.186 4.340 0.001 0.000 0.227 605 R C 2.001 178.233 176.300 -0.113 0.000 1.153 605 R CA 1.072 57.094 56.100 -0.130 0.000 1.059 605 R CB -0.103 30.129 30.300 -0.114 0.000 0.831 605 R HN 0.340 nan 8.270 nan 0.000 0.487 606 K N -0.813 119.530 120.400 -0.095 0.000 2.225 606 K HA 0.027 4.348 4.320 0.001 0.000 0.204 606 K C 1.009 177.570 176.600 -0.065 0.000 1.047 606 K CA 1.087 57.334 56.287 -0.067 0.000 0.970 606 K CB 0.737 33.210 32.500 -0.046 0.000 0.939 606 K HN 0.242 nan 8.250 nan 0.000 0.472 607 G N 0.932 109.689 108.800 -0.071 0.000 2.321 607 G HA2 -0.116 3.844 3.960 0.001 0.000 0.174 607 G HA3 -0.116 3.844 3.960 0.001 0.000 0.174 607 G C 0.115 174.992 174.900 -0.039 0.000 1.008 607 G CA 0.182 45.247 45.100 -0.058 0.000 0.739 607 G HN 0.279 nan 8.290 nan 0.000 0.502 608 D N 0.329 120.702 120.400 -0.045 0.000 2.183 608 D HA 0.130 4.770 4.640 0.001 0.000 0.205 608 D C 1.270 177.533 176.300 -0.062 0.000 0.962 608 D CA 0.688 54.672 54.000 -0.027 0.000 0.849 608 D CB 0.679 41.479 40.800 0.001 0.000 0.978 608 D HN 0.480 nan 8.370 nan 0.000 0.488 609 I N 1.901 122.400 120.570 -0.119 0.000 2.339 609 I HA 0.093 4.263 4.170 0.001 0.000 0.290 609 I C 0.484 176.540 176.117 -0.102 0.000 0.994 609 I CA -0.832 60.382 61.300 -0.143 0.000 1.191 609 I CB 1.128 38.991 38.000 -0.229 0.000 1.343 609 I HN -0.205 nan 8.210 nan 0.000 0.458 610 N N 8.079 126.741 118.700 -0.062 0.000 2.225 610 N HA -0.063 4.678 4.740 0.001 0.000 0.257 610 N C -1.712 173.755 175.510 -0.073 0.000 1.252 610 N CA -0.594 52.431 53.050 -0.042 0.000 0.833 610 N CB 1.126 39.612 38.487 -0.002 0.000 1.068 610 N HN 0.326 nan 8.380 nan 0.000 0.468 611 P HA -0.105 nan 4.420 nan 0.000 0.222 611 P C 0.881 178.110 177.300 -0.119 0.000 1.147 611 P CA 1.020 64.013 63.100 -0.180 0.000 0.790 611 P CB 0.230 31.743 31.700 -0.313 0.000 0.780 612 E N -0.128 120.052 120.200 -0.033 0.000 2.152 612 E HA -0.048 4.303 4.350 0.001 0.000 0.192 612 E C 0.112 176.658 176.600 -0.091 0.000 0.983 612 E CA 0.303 56.658 56.400 -0.075 0.000 0.818 612 E CB 0.016 29.743 29.700 0.045 0.000 0.758 612 E HN -0.042 nan 8.360 nan 0.000 0.467 613 V N 2.145 122.035 119.914 -0.041 0.000 2.637 613 V HA 0.047 4.167 4.120 0.001 0.000 0.296 613 V C 0.333 176.420 176.094 -0.012 0.000 1.046 613 V CA 0.096 62.391 62.300 -0.009 0.000 1.066 613 V CB 1.187 33.000 31.823 -0.017 0.000 0.968 613 V HN 0.276 nan 8.190 nan 0.000 0.483 614 S N 5.478 121.208 115.700 0.050 0.000 2.537 614 S HA 0.911 5.381 4.470 0.001 0.000 0.301 614 S C -0.852 173.795 174.600 0.078 0.000 1.092 614 S CA -0.893 57.347 58.200 0.068 0.000 1.048 614 S CB 1.681 64.952 63.200 0.118 0.000 1.053 614 S HN 0.594 nan 8.310 nan 0.000 0.501 615 M N 2.054 121.681 119.600 0.046 0.000 2.421 615 M HA 0.561 5.041 4.480 0.001 0.000 0.287 615 M C -1.947 174.374 176.300 0.034 0.000 1.183 615 M CA -0.548 54.760 55.300 0.014 0.000 0.916 615 M CB 2.038 34.611 32.600 -0.045 0.000 1.701 615 M HN 0.579 nan 8.290 nan 0.000 0.470 616 I N 1.146 121.738 120.570 0.037 0.000 2.607 616 I HA 0.541 4.711 4.170 0.001 0.000 0.290 616 I C -0.700 175.438 176.117 0.035 0.000 1.129 616 I CA -0.586 60.742 61.300 0.047 0.000 1.042 616 I CB 2.039 40.083 38.000 0.074 0.000 1.242 616 I HN 0.671 nan 8.210 nan 0.000 0.421 617 R N 3.850 124.370 120.500 0.033 0.000 2.265 617 R HA 0.288 4.629 4.340 0.001 0.000 0.328 617 R C -1.025 175.299 176.300 0.041 0.000 0.969 617 R CA -0.327 55.793 56.100 0.034 0.000 0.832 617 R CB 0.857 31.175 30.300 0.030 0.000 1.139 617 R HN 0.731 nan 8.270 nan 0.000 0.457 618 D N 7.286 127.713 120.400 0.044 0.000 2.518 618 D HA 0.084 4.724 4.640 0.001 0.000 0.230 618 D C 1.683 178.008 176.300 0.042 0.000 1.138 618 D CA -0.264 53.761 54.000 0.041 0.000 0.964 618 D CB 0.424 41.248 40.800 0.041 0.000 1.011 618 D HN 0.620 nan 8.370 nan 0.000 0.517 619 I N 1.247 121.842 120.570 0.041 0.000 2.113 619 I HA -0.366 3.805 4.170 0.001 0.000 0.242 619 I C 2.159 178.299 176.117 0.040 0.000 1.064 619 I CA 0.994 62.319 61.300 0.043 0.000 1.320 619 I CB -0.551 37.472 38.000 0.039 0.000 1.028 619 I HN 0.154 nan 8.210 nan 0.000 0.406 620 R N 0.615 121.135 120.500 0.032 0.000 2.261 620 R HA -0.180 4.161 4.340 0.001 0.000 0.236 620 R C 1.667 177.983 176.300 0.028 0.000 1.141 620 R CA 1.365 57.481 56.100 0.027 0.000 1.001 620 R CB -0.359 29.953 30.300 0.020 0.000 0.866 620 R HN 0.445 nan 8.270 nan 0.000 0.468 621 E N 0.324 120.544 120.200 0.033 0.000 2.539 621 E HA 0.084 4.434 4.350 0.001 0.000 0.215 621 E C -0.532 176.096 176.600 0.047 0.000 0.965 621 E CA -0.041 56.380 56.400 0.035 0.000 1.019 621 E CB 0.447 30.167 29.700 0.034 0.000 1.059 621 E HN 0.019 nan 8.360 nan 0.000 0.496 622 K N 1.124 121.555 120.400 0.052 0.000 3.239 622 K HA -0.190 4.130 4.320 0.001 0.000 0.270 622 K C -0.982 175.651 176.600 0.054 0.000 1.049 622 K CA 0.901 57.225 56.287 0.063 0.000 0.769 622 K CB -1.206 31.340 32.500 0.077 0.000 1.305 622 K HN 0.261 nan 8.250 nan 0.000 0.469 623 E N 0.174 120.406 120.200 0.052 0.000 2.340 623 E HA 0.442 4.792 4.350 0.001 0.000 0.273 623 E C -1.195 175.435 176.600 0.050 0.000 0.891 623 E CA -1.050 55.378 56.400 0.046 0.000 0.757 623 E CB 2.027 31.788 29.700 0.102 0.000 1.231 623 E HN 0.097 nan 8.360 nan 0.000 0.439 624 L N 2.658 123.901 121.223 0.033 0.000 2.417 624 L HA 0.324 4.664 4.340 0.001 0.000 0.259 624 L C -1.008 175.871 176.870 0.016 0.000 1.023 624 L CA -0.343 54.510 54.840 0.021 0.000 0.901 624 L CB 0.468 42.529 42.059 0.004 0.000 1.227 624 L HN 0.225 nan 8.230 nan 0.000 0.454 625 K N 5.222 125.627 120.400 0.009 0.000 2.172 625 K HA 0.568 4.888 4.320 0.001 0.000 0.276 625 K C -0.937 175.547 176.600 -0.194 0.000 1.013 625 K CA -0.467 55.761 56.287 -0.099 0.000 0.913 625 K CB 1.862 34.293 32.500 -0.115 0.000 1.055 625 K HN 0.525 nan 8.250 nan 0.000 0.461 626 I N 3.577 123.938 120.570 -0.349 0.000 2.499 626 I HA 0.332 4.503 4.170 0.001 0.000 0.288 626 I C -0.997 174.867 176.117 -0.421 0.000 1.048 626 I CA -0.762 60.386 61.300 -0.254 0.000 1.062 626 I CB 1.236 39.159 38.000 -0.128 0.000 1.238 626 I HN 0.388 nan 8.210 nan 0.000 0.426 627 F N 3.342 123.299 119.950 0.011 0.000 2.493 627 F HA 0.292 4.819 4.527 0.001 0.000 0.329 627 F C 1.103 176.909 175.800 0.010 0.000 1.126 627 F CA -0.502 57.506 58.000 0.013 0.000 0.937 627 F CB 2.209 41.212 39.000 0.004 0.000 1.146 627 F HN 0.406 nan 8.300 nan 0.000 0.442 628 T N -0.338 114.334 114.554 0.197 0.000 3.014 628 T HA -0.010 4.341 4.350 0.001 0.000 0.250 628 T C 0.435 175.217 174.700 0.138 0.000 1.060 628 T CA -0.074 62.101 62.100 0.125 0.000 1.040 628 T CB -0.373 68.549 68.868 0.089 0.000 0.971 628 T HN 0.575 nan 8.240 nan 0.000 0.497 629 D N 2.212 122.723 120.400 0.184 0.000 3.360 629 D HA -0.081 4.559 4.640 0.001 0.000 0.192 629 D C -0.120 176.236 176.300 0.093 0.000 1.037 629 D CA 0.709 54.793 54.000 0.141 0.000 0.720 629 D CB 0.336 41.215 40.800 0.132 0.000 1.140 629 D HN 0.512 nan 8.370 nan 0.000 0.529 630 A N 2.672 125.540 122.820 0.080 0.000 2.269 630 A HA 0.591 4.911 4.320 0.001 0.000 0.302 630 A C 1.197 178.806 177.584 0.042 0.000 1.266 630 A CA 0.479 52.559 52.037 0.071 0.000 0.894 630 A CB 0.739 19.786 19.000 0.078 0.000 1.147 630 A HN 0.860 nan 8.150 nan 0.000 0.537 631 G N 2.418 111.237 108.800 0.032 0.000 2.738 631 G HA2 -0.131 3.830 3.960 0.001 0.000 0.195 631 G HA3 -0.131 3.830 3.960 0.001 0.000 0.195 631 G C 0.308 175.176 174.900 -0.054 0.000 1.001 631 G CA -0.532 44.561 45.100 -0.011 0.000 0.759 631 G HN 0.765 nan 8.290 nan 0.000 0.494 632 R N 0.899 121.378 120.500 -0.035 0.000 2.449 632 R HA 0.474 4.815 4.340 0.001 0.000 0.296 632 R C 0.206 176.497 176.300 -0.016 0.000 1.047 632 R CA -0.163 55.894 56.100 -0.070 0.000 1.018 632 R CB 1.504 31.776 30.300 -0.047 0.000 0.962 632 R HN 0.067 nan 8.270 nan 0.000 0.428 633 V N 5.070 124.896 119.914 -0.146 0.000 2.583 633 V HA 0.221 4.342 4.120 0.001 0.000 0.287 633 V C -0.389 175.706 176.094 0.001 0.000 1.051 633 V CA -0.083 62.129 62.300 -0.146 0.000 1.010 633 V CB 0.172 31.897 31.823 -0.164 0.000 0.988 633 V HN 0.705 nan 8.190 nan 0.000 0.478 634 Y N 3.407 123.682 120.300 -0.041 0.000 2.588 634 Y HA 0.857 5.408 4.550 0.001 0.000 0.343 634 Y C -0.501 175.372 175.900 -0.046 0.000 1.065 634 Y CA -1.760 56.327 58.100 -0.022 0.000 1.038 634 Y CB 1.407 39.856 38.460 -0.019 0.000 1.297 634 Y HN 0.654 nan 8.280 nan 0.000 0.467 635 R N 1.189 121.821 120.500 0.220 0.000 2.892 635 R HA 0.745 5.085 4.340 0.001 0.000 0.265 635 R C -3.293 173.133 176.300 0.210 0.000 1.025 635 R CA -1.982 54.189 56.100 0.119 0.000 0.982 635 R CB 2.592 32.943 30.300 0.085 0.000 1.185 635 R HN 0.538 nan 8.270 nan 0.000 0.484 636 P HA 0.401 nan 4.420 nan 0.000 0.298 636 P C -0.976 176.430 177.300 0.177 0.000 1.314 636 P CA -0.585 62.693 63.100 0.298 0.000 0.854 636 P CB 1.772 33.636 31.700 0.273 0.000 1.019 637 L N 3.001 124.350 121.223 0.210 0.000 2.371 637 L HA 0.489 4.829 4.340 0.001 0.000 0.262 637 L C 0.167 177.229 176.870 0.321 0.000 1.006 637 L CA -1.216 53.736 54.840 0.186 0.000 0.818 637 L CB 2.342 44.495 42.059 0.156 0.000 1.354 637 L HN 0.327 nan 8.230 nan 0.000 0.415 638 F N 2.634 122.645 119.950 0.102 0.000 2.456 638 F HA 0.289 4.817 4.527 0.001 0.000 0.358 638 F C 0.527 176.356 175.800 0.049 0.000 1.095 638 F CA -0.661 57.361 58.000 0.037 0.000 1.216 638 F CB 0.985 39.992 39.000 0.011 0.000 1.125 638 F HN 0.201 nan 8.300 nan 0.000 0.549 639 I N 4.101 124.717 120.570 0.077 0.000 2.499 639 I HA 0.101 4.271 4.170 0.001 0.000 0.296 639 I C 0.512 176.548 176.117 -0.134 0.000 0.992 639 I CA -0.414 60.818 61.300 -0.114 0.000 1.297 639 I CB 1.599 39.501 38.000 -0.163 0.000 1.410 639 I HN 0.439 nan 8.210 nan 0.000 0.507 640 V N 1.906 121.719 119.914 -0.167 0.000 2.922 640 V HA 0.000 4.121 4.120 0.001 0.000 0.242 640 V C 0.348 176.384 176.094 -0.097 0.000 1.094 640 V CA 0.152 62.393 62.300 -0.097 0.000 1.106 640 V CB -0.550 31.266 31.823 -0.010 0.000 0.799 640 V HN 0.807 nan 8.190 nan 0.000 0.474 641 E N 2.627 122.760 120.200 -0.110 0.000 0.843 641 E HA -0.252 4.099 4.350 0.001 0.000 0.347 641 E C 0.657 177.217 176.600 -0.067 0.000 1.156 641 E CA 0.974 57.325 56.400 -0.083 0.000 1.297 641 E CB -0.413 29.232 29.700 -0.092 0.000 0.467 641 E HN 0.851 nan 8.360 nan 0.000 0.352 642 D N 2.308 122.684 120.400 -0.039 0.000 2.393 642 D HA -0.202 4.438 4.640 0.001 0.000 0.220 642 D C 0.128 176.397 176.300 -0.052 0.000 0.974 642 D CA 0.517 54.494 54.000 -0.040 0.000 0.931 642 D CB -0.146 40.656 40.800 0.003 0.000 0.889 642 D HN 0.286 nan 8.370 nan 0.000 0.512 643 D N 0.917 121.288 120.400 -0.048 0.000 2.570 643 D HA -0.113 4.527 4.640 0.001 0.000 0.253 643 D C 0.015 176.287 176.300 -0.047 0.000 1.316 643 D CA 0.607 54.582 54.000 -0.041 0.000 1.049 643 D CB -0.764 40.012 40.800 -0.040 0.000 1.042 643 D HN 0.408 nan 8.370 nan 0.000 0.471 644 E N 0.297 120.462 120.200 -0.059 0.000 2.055 644 E HA 0.150 4.500 4.350 0.001 0.000 0.274 644 E C 1.071 177.655 176.600 -0.027 0.000 0.949 644 E CA -0.517 55.848 56.400 -0.058 0.000 0.775 644 E CB 0.829 30.464 29.700 -0.107 0.000 1.097 644 E HN -0.020 nan 8.360 nan 0.000 0.404 645 S N 4.694 120.384 115.700 -0.016 0.000 2.359 645 S HA -0.211 4.259 4.470 0.001 0.000 0.223 645 S C 1.141 175.745 174.600 0.007 0.000 1.039 645 S CA 0.934 59.133 58.200 -0.002 0.000 1.042 645 S CB -0.488 62.710 63.200 -0.003 0.000 0.915 645 S HN 0.559 nan 8.310 nan 0.000 0.439 646 L N 2.929 124.155 121.223 0.004 0.000 2.376 646 L HA 0.507 4.848 4.340 0.001 0.000 0.250 646 L C 1.181 178.074 176.870 0.039 0.000 1.335 646 L CA 0.111 54.962 54.840 0.018 0.000 1.214 646 L CB -1.041 41.026 42.059 0.012 0.000 1.395 646 L HN 0.734 nan 8.230 nan 0.000 0.424 647 G N -0.184 108.652 108.800 0.059 0.000 2.428 647 G HA2 -0.186 3.774 3.960 0.001 0.000 0.202 647 G HA3 -0.186 3.774 3.960 0.001 0.000 0.202 647 G C 0.010 174.987 174.900 0.128 0.000 1.247 647 G CA -0.165 45.012 45.100 0.129 0.000 1.020 647 G HN 0.532 nan 8.290 nan 0.000 0.529 648 H N 1.040 120.128 119.070 0.029 0.000 1.942 648 H HA 0.575 5.131 4.556 0.001 0.000 0.268 648 H C 0.890 176.239 175.328 0.035 0.000 1.730 648 H CA 0.968 57.039 56.048 0.039 0.000 1.421 648 H CB -0.476 29.320 29.762 0.056 0.000 1.749 648 H HN 0.658 nan 8.280 nan 0.000 0.620 649 K N -0.287 120.005 120.400 -0.179 0.000 2.107 649 K HA 0.260 4.580 4.320 0.001 0.000 0.251 649 K C -0.680 175.663 176.600 -0.428 0.000 1.012 649 K CA -0.147 56.037 56.287 -0.172 0.000 0.920 649 K CB 0.560 33.100 32.500 0.067 0.000 1.033 649 K HN 0.695 nan 8.250 nan 0.000 0.478 650 E N 1.924 121.984 120.200 -0.233 0.000 2.552 650 E HA 0.141 4.491 4.350 0.001 0.000 0.297 650 E C -1.781 174.730 176.600 -0.147 0.000 1.038 650 E CA -0.383 55.886 56.400 -0.219 0.000 0.856 650 E CB 0.395 29.927 29.700 -0.281 0.000 1.222 650 E HN 0.461 nan 8.360 nan 0.000 0.422 651 L N 4.931 126.072 121.223 -0.137 0.000 2.667 651 L HA -0.021 4.320 4.340 0.001 0.000 0.278 651 L C 1.751 178.511 176.870 -0.183 0.000 1.217 651 L CA 0.485 55.224 54.840 -0.168 0.000 0.935 651 L CB 0.255 42.194 42.059 -0.199 0.000 1.193 651 L HN 0.739 nan 8.230 nan 0.000 0.493 652 K N 2.678 122.960 120.400 -0.196 0.000 2.015 652 K HA -0.148 4.172 4.320 0.001 0.000 0.216 652 K C 0.477 176.972 176.600 -0.174 0.000 1.052 652 K CA 1.076 57.261 56.287 -0.171 0.000 0.937 652 K CB 0.051 32.436 32.500 -0.192 0.000 0.719 652 K HN 0.410 nan 8.250 nan 0.000 0.446 653 V N 2.327 122.040 119.914 -0.335 0.000 2.788 653 V HA -0.045 4.075 4.120 0.001 0.000 0.307 653 V C 0.438 176.513 176.094 -0.032 0.000 1.069 653 V CA 0.428 62.535 62.300 -0.323 0.000 1.173 653 V CB 0.786 32.257 31.823 -0.588 0.000 0.925 653 V HN 0.332 nan 8.190 nan 0.000 0.492 654 R N 2.615 123.323 120.500 0.348 0.000 2.808 654 R HA 0.349 4.689 4.340 0.001 0.000 0.272 654 R C 0.653 177.013 176.300 0.101 0.000 0.995 654 R CA -1.141 55.038 56.100 0.132 0.000 0.917 654 R CB 0.989 31.317 30.300 0.047 0.000 1.217 654 R HN 0.545 nan 8.270 nan 0.000 0.471 655 K N 0.664 121.089 120.400 0.041 0.000 2.448 655 K HA -0.176 4.144 4.320 0.001 0.000 0.200 655 K C 1.548 178.164 176.600 0.026 0.000 1.045 655 K CA 1.997 58.310 56.287 0.043 0.000 0.933 655 K CB -0.276 32.242 32.500 0.030 0.000 0.755 655 K HN 0.768 nan 8.250 nan 0.000 0.481 656 G N -0.747 108.027 108.800 -0.042 0.000 2.417 656 G HA2 -0.183 3.777 3.960 0.001 0.000 0.212 656 G HA3 -0.183 3.777 3.960 0.001 0.000 0.212 656 G C 1.002 175.870 174.900 -0.053 0.000 1.187 656 G CA 0.394 45.432 45.100 -0.104 0.000 0.804 656 G HN 0.324 nan 8.290 nan 0.000 0.534 657 H N 0.820 119.922 119.070 0.053 0.000 2.289 657 H HA -0.109 4.447 4.556 0.001 0.000 0.294 657 H C 2.650 178.104 175.328 0.210 0.000 1.095 657 H CA 1.471 57.617 56.048 0.163 0.000 1.256 657 H CB -0.407 29.441 29.762 0.144 0.000 1.359 657 H HN 0.285 nan 8.280 nan 0.000 0.487 658 I N 0.888 121.625 120.570 0.278 0.000 2.044 658 I HA -0.349 3.821 4.170 0.001 0.000 0.234 658 I C 2.870 179.107 176.117 0.199 0.000 1.031 658 I CA 1.522 62.955 61.300 0.221 0.000 1.305 658 I CB -0.535 37.566 38.000 0.169 0.000 1.026 658 I HN 0.210 nan 8.210 nan 0.000 0.392 659 A N -0.115 122.789 122.820 0.141 0.000 2.093 659 A HA -0.305 4.015 4.320 0.001 0.000 0.222 659 A C 2.296 179.956 177.584 0.125 0.000 1.162 659 A CA 2.142 54.247 52.037 0.113 0.000 0.655 659 A CB -0.724 18.316 19.000 0.066 0.000 0.805 659 A HN 0.486 nan 8.150 nan 0.000 0.461 660 K N -0.765 119.728 120.400 0.154 0.000 2.296 660 K HA 0.114 4.434 4.320 0.001 0.000 0.200 660 K C 1.593 178.379 176.600 0.310 0.000 1.048 660 K CA 0.610 56.997 56.287 0.167 0.000 0.966 660 K CB -0.144 32.399 32.500 0.071 0.000 0.754 660 K HN 0.529 nan 8.250 nan 0.000 0.466 661 L N 0.061 121.482 121.223 0.331 0.000 2.145 661 L HA 0.028 4.369 4.340 0.001 0.000 0.201 661 L C 2.236 179.240 176.870 0.224 0.000 1.075 661 L CA 0.529 55.545 54.840 0.293 0.000 0.773 661 L CB -0.178 42.027 42.059 0.245 0.000 0.936 661 L HN 0.144 nan 8.230 nan 0.000 0.451 662 M N -0.254 119.468 119.600 0.203 0.000 2.530 662 M HA -0.161 4.320 4.480 0.001 0.000 0.261 662 M C 2.181 178.588 176.300 0.178 0.000 1.067 662 M CA 1.318 56.727 55.300 0.182 0.000 1.071 662 M CB -0.548 32.149 32.600 0.162 0.000 1.405 662 M HN 0.313 nan 8.290 nan 0.000 0.478 663 A N 0.072 122.996 122.820 0.173 0.000 1.898 663 A HA -0.056 4.264 4.320 0.001 0.000 0.214 663 A C 2.162 179.854 177.584 0.180 0.000 1.183 663 A CA 1.534 53.665 52.037 0.157 0.000 0.622 663 A CB -0.762 18.314 19.000 0.127 0.000 0.824 663 A HN 0.392 nan 8.150 nan 0.000 0.444 664 T N 0.065 114.730 114.554 0.186 0.000 3.072 664 T HA -0.024 4.326 4.350 0.001 0.000 0.266 664 T C 1.536 176.324 174.700 0.148 0.000 1.127 664 T CA 1.200 63.401 62.100 0.170 0.000 1.107 664 T CB -0.047 68.933 68.868 0.187 0.000 0.910 664 T HN 0.586 nan 8.240 nan 0.000 0.513 665 E N 0.313 120.610 120.200 0.160 0.000 2.033 665 E HA -0.060 4.291 4.350 0.001 0.000 0.189 665 E C 1.681 178.344 176.600 0.105 0.000 0.979 665 E CA 0.674 57.151 56.400 0.129 0.000 0.802 665 E CB -0.215 29.572 29.700 0.144 0.000 0.763 665 E HN 0.471 nan 8.360 nan 0.000 0.449 666 Y N 2.239 122.574 120.300 0.058 0.000 2.446 666 Y HA -0.183 4.368 4.550 0.001 0.000 0.287 666 Y C 1.213 177.136 175.900 0.038 0.000 1.159 666 Y CA 1.270 59.396 58.100 0.043 0.000 1.297 666 Y CB 0.057 38.542 38.460 0.042 0.000 0.974 666 Y HN 0.041 nan 8.280 nan 0.000 0.557 667 Q N 0.918 120.762 119.800 0.072 0.000 2.259 667 Q HA 0.080 4.421 4.340 0.001 0.000 0.228 667 Q C -0.661 175.319 176.000 -0.034 0.000 0.909 667 Q CA 0.224 56.047 55.803 0.034 0.000 0.948 667 Q CB 0.031 28.820 28.738 0.086 0.000 1.041 667 Q HN 0.411 nan 8.270 nan 0.000 0.445 679 Y N 3.356 123.709 120.300 0.087 0.000 2.555 679 Y HA 0.411 4.962 4.550 0.001 0.000 0.326 679 Y C 0.357 176.330 175.900 0.120 0.000 0.984 679 Y CA -0.478 57.676 58.100 0.090 0.000 1.298 679 Y CB 0.841 39.354 38.460 0.087 0.000 1.094 679 Y HN 0.204 nan 8.280 nan 0.000 0.500 680 T N 2.115 116.643 114.554 -0.043 0.000 3.204 680 T HA 0.036 4.386 4.350 0.001 0.000 0.312 680 T C 1.064 175.727 174.700 -0.060 0.000 1.254 680 T CA -0.041 62.060 62.100 0.003 0.000 0.913 680 T CB 0.078 69.014 68.868 0.115 0.000 2.143 680 T HN 0.758 nan 8.240 nan 0.000 0.569 681 W N -0.090 121.176 121.300 -0.056 0.000 2.539 681 W HA 0.079 4.739 4.660 0.001 0.000 0.299 681 W C 2.439 178.924 176.519 -0.057 0.000 1.165 681 W CA 0.922 58.248 57.345 -0.031 0.000 1.400 681 W CB -0.580 28.946 29.460 0.109 0.000 1.123 681 W HN 0.616 nan 8.180 nan 0.000 0.533 682 S N 1.011 116.770 115.700 0.099 0.000 2.461 682 S HA -0.175 4.295 4.470 0.001 0.000 0.246 682 S C 1.812 176.313 174.600 -0.164 0.000 1.007 682 S CA 1.846 60.030 58.200 -0.027 0.000 0.976 682 S CB -0.235 63.029 63.200 0.107 0.000 0.763 682 S HN 0.300 nan 8.310 nan 0.000 0.508 683 S N 1.545 117.126 115.700 -0.198 0.000 2.325 683 S HA 0.082 4.553 4.470 0.001 0.000 0.213 683 S C 1.737 176.165 174.600 -0.285 0.000 1.031 683 S CA 1.195 59.285 58.200 -0.183 0.000 0.984 683 S CB -0.636 62.374 63.200 -0.318 0.000 0.939 683 S HN 0.510 nan 8.310 nan 0.000 0.438 684 L N 1.178 122.115 121.223 -0.477 0.000 2.211 684 L HA -0.188 4.152 4.340 0.001 0.000 0.216 684 L C 2.331 178.886 176.870 -0.526 0.000 1.092 684 L CA 0.709 55.252 54.840 -0.495 0.000 0.767 684 L CB -0.696 40.998 42.059 -0.609 0.000 0.894 684 L HN 0.236 nan 8.230 nan 0.000 0.437 685 L N -0.092 120.770 121.223 -0.602 0.000 2.071 685 L HA -0.043 4.298 4.340 0.001 0.000 0.201 685 L C 2.193 178.871 176.870 -0.321 0.000 1.076 685 L CA 1.653 56.171 54.840 -0.538 0.000 0.755 685 L CB -0.590 41.115 42.059 -0.590 0.000 0.915 685 L HN 0.193 nan 8.230 nan 0.000 0.445 686 N N 0.127 118.691 118.700 -0.227 0.000 2.459 686 N HA -0.120 4.620 4.740 0.001 0.000 0.181 686 N C 0.608 176.057 175.510 -0.103 0.000 1.046 686 N CA 0.663 53.632 53.050 -0.135 0.000 0.904 686 N CB -0.115 38.326 38.487 -0.077 0.000 0.964 686 N HN 0.546 nan 8.380 nan 0.000 0.444 687 E N 0.395 120.526 120.200 -0.115 0.000 2.336 687 E HA 0.151 4.502 4.350 0.001 0.000 0.214 687 E C 0.241 176.764 176.600 -0.127 0.000 1.144 687 E CA -0.496 55.859 56.400 -0.075 0.000 1.294 687 E CB -0.294 29.398 29.700 -0.013 0.000 1.263 687 E HN 0.199 nan 8.360 nan 0.000 0.439 688 G N 1.336 110.048 108.800 -0.147 0.000 2.425 688 G HA2 -0.270 3.690 3.960 0.001 0.000 0.290 688 G HA3 -0.270 3.690 3.960 0.001 0.000 0.290 688 G C 0.580 175.374 174.900 -0.176 0.000 0.863 688 G CA 0.563 45.570 45.100 -0.155 0.000 1.047 688 G HN 0.402 nan 8.290 nan 0.000 0.495 689 L N -1.595 119.486 121.223 -0.236 0.000 2.638 689 L HA 0.480 4.820 4.340 0.001 0.000 0.232 689 L C 0.641 177.364 176.870 -0.245 0.000 1.099 689 L CA 0.078 54.749 54.840 -0.281 0.000 0.883 689 L CB 0.884 42.698 42.059 -0.407 0.000 1.136 689 L HN 0.222 nan 8.230 nan 0.000 0.492 690 V N 0.656 120.431 119.914 -0.233 0.000 2.823 690 V HA 0.261 4.382 4.120 0.001 0.000 0.296 690 V C -1.556 174.412 176.094 -0.210 0.000 1.250 690 V CA -0.553 61.666 62.300 -0.134 0.000 0.939 690 V CB 2.225 33.967 31.823 -0.135 0.000 1.062 690 V HN 0.344 nan 8.190 nan 0.000 0.433 691 E N 5.138 125.299 120.200 -0.066 0.000 2.410 691 E HA 0.575 4.926 4.350 0.001 0.000 0.269 691 E C -1.486 175.151 176.600 0.063 0.000 0.937 691 E CA -1.008 55.311 56.400 -0.135 0.000 0.793 691 E CB 2.165 31.816 29.700 -0.081 0.000 1.314 691 E HN 0.583 nan 8.360 nan 0.000 0.447 692 Y N 0.714 120.995 120.300 -0.030 0.000 2.316 692 Y HA 0.375 4.926 4.550 0.001 0.000 0.331 692 Y C 0.087 175.945 175.900 -0.071 0.000 1.083 692 Y CA -0.896 57.171 58.100 -0.054 0.000 1.206 692 Y CB 0.984 39.235 38.460 -0.347 0.000 1.195 692 Y HN 0.228 nan 8.280 nan 0.000 0.497 693 I N 4.610 125.291 120.570 0.185 0.000 2.420 693 I HA 0.114 4.285 4.170 0.001 0.000 0.282 693 I C -0.324 175.885 176.117 0.154 0.000 1.019 693 I CA -0.863 60.496 61.300 0.098 0.000 1.130 693 I CB 0.937 38.944 38.000 0.012 0.000 1.262 693 I HN 0.657 nan 8.210 nan 0.000 0.454 694 D N 5.772 126.253 120.400 0.136 0.000 2.414 694 D HA 0.173 4.813 4.640 0.001 0.000 0.251 694 D C 1.122 177.500 176.300 0.130 0.000 1.252 694 D CA -0.321 53.774 54.000 0.158 0.000 0.999 694 D CB 1.355 42.225 40.800 0.116 0.000 1.093 694 D HN 0.467 nan 8.370 nan 0.000 0.515 695 A N 0.073 122.972 122.820 0.131 0.000 1.902 695 A HA -0.209 4.111 4.320 0.001 0.000 0.217 695 A C 2.079 179.786 177.584 0.205 0.000 1.181 695 A CA 2.060 54.213 52.037 0.193 0.000 0.623 695 A CB -0.883 18.267 19.000 0.250 0.000 0.818 695 A HN 0.702 nan 8.150 nan 0.000 0.443 696 E N -0.077 120.192 120.200 0.115 0.000 2.033 696 E HA -0.233 4.117 4.350 0.001 0.000 0.199 696 E C 1.996 178.655 176.600 0.098 0.000 1.011 696 E CA 1.904 58.347 56.400 0.072 0.000 0.815 696 E CB -0.276 29.439 29.700 0.025 0.000 0.755 696 E HN 0.704 nan 8.360 nan 0.000 0.451 697 E N 0.074 120.332 120.200 0.096 0.000 2.058 697 E HA -0.283 4.068 4.350 0.001 0.000 0.194 697 E C 2.051 178.687 176.600 0.059 0.000 0.997 697 E CA 1.387 57.834 56.400 0.077 0.000 0.801 697 E CB -0.184 29.555 29.700 0.065 0.000 0.746 697 E HN 0.347 nan 8.360 nan 0.000 0.450 698 E N 0.233 120.468 120.200 0.059 0.000 2.208 698 E HA -0.301 4.050 4.350 0.001 0.000 0.202 698 E C 1.867 178.494 176.600 0.045 0.000 1.014 698 E CA 1.357 57.779 56.400 0.036 0.000 0.819 698 E CB 0.020 29.764 29.700 0.074 0.000 0.735 698 E HN 0.229 nan 8.360 nan 0.000 0.469 699 E N 0.203 120.452 120.200 0.083 0.000 2.130 699 E HA -0.151 4.199 4.350 0.001 0.000 0.196 699 E C 1.223 177.851 176.600 0.047 0.000 0.998 699 E CA 1.380 57.828 56.400 0.080 0.000 0.806 699 E CB -0.124 29.637 29.700 0.103 0.000 0.738 699 E HN 0.269 nan 8.360 nan 0.000 0.459 700 S N 0.423 116.151 115.700 0.047 0.000 2.694 700 S HA 0.465 4.935 4.470 0.001 0.000 0.211 700 S C 0.395 175.028 174.600 0.055 0.000 1.328 700 S CA -0.726 57.501 58.200 0.044 0.000 1.236 700 S CB -0.931 62.297 63.200 0.048 0.000 1.121 700 S HN 0.269 nan 8.310 nan 0.000 0.517 701 I N -2.023 118.576 120.570 0.048 0.000 2.984 701 I HA 0.733 4.903 4.170 0.001 0.000 0.303 701 I C -2.197 173.964 176.117 0.072 0.000 1.381 701 I CA -1.497 59.858 61.300 0.093 0.000 0.988 701 I CB 1.664 39.698 38.000 0.057 0.000 1.307 701 I HN 0.231 nan 8.210 nan 0.000 0.460 702 L N 4.390 125.689 121.223 0.127 0.000 2.342 702 L HA 0.749 5.090 4.340 0.001 0.000 0.271 702 L C -1.202 175.811 176.870 0.239 0.000 1.008 702 L CA -0.434 54.455 54.840 0.081 0.000 0.818 702 L CB 1.815 43.844 42.059 -0.051 0.000 1.296 702 L HN 0.610 nan 8.230 nan 0.000 0.427 703 I N 2.926 123.642 120.570 0.243 0.000 2.730 703 I HA 0.730 4.900 4.170 0.001 0.000 0.298 703 I C -0.609 175.735 176.117 0.379 0.000 1.089 703 I CA -0.857 60.618 61.300 0.292 0.000 1.041 703 I CB 2.140 40.207 38.000 0.112 0.000 1.235 703 I HN 0.721 nan 8.210 nan 0.000 0.423 704 A N 4.238 127.140 122.820 0.137 0.000 2.337 704 A HA 0.609 4.929 4.320 0.001 0.000 0.329 704 A C 0.243 177.776 177.584 -0.085 0.000 1.146 704 A CA -0.508 51.436 52.037 -0.154 0.000 0.800 704 A CB 1.476 20.057 19.000 -0.699 0.000 1.220 704 A HN 0.789 nan 8.150 nan 0.000 0.472 705 M N 0.790 120.336 119.600 -0.090 0.000 2.074 705 M HA 0.022 4.503 4.480 0.001 0.000 0.258 705 M C 0.761 176.999 176.300 -0.103 0.000 1.083 705 M CA 1.902 57.149 55.300 -0.088 0.000 1.128 705 M CB -0.458 32.079 32.600 -0.105 0.000 1.301 705 M HN 0.802 nan 8.290 nan 0.000 0.417 706 Q N 0.357 120.089 119.800 -0.113 0.000 2.260 706 Q HA 0.221 4.561 4.340 0.001 0.000 0.242 706 Q C -1.836 174.103 176.000 -0.102 0.000 0.932 706 Q CA -1.509 54.245 55.803 -0.082 0.000 0.891 706 Q CB 0.038 28.736 28.738 -0.066 0.000 1.222 706 Q HN 0.158 nan 8.270 nan 0.000 0.453 707 P HA -0.169 nan 4.420 nan 0.000 0.216 707 P C 0.008 177.254 177.300 -0.089 0.000 1.156 707 P CA 1.310 64.395 63.100 -0.024 0.000 0.855 707 P CB 0.446 32.192 31.700 0.077 0.000 0.786 708 E N 0.879 121.041 120.200 -0.063 0.000 2.002 708 E HA -0.139 4.211 4.350 0.001 0.000 0.196 708 E C 1.708 178.206 176.600 -0.170 0.000 0.974 708 E CA 0.618 56.972 56.400 -0.076 0.000 0.853 708 E CB -1.489 28.198 29.700 -0.022 0.000 0.808 708 E HN 0.044 nan 8.360 nan 0.000 0.492 709 D N 0.897 121.216 120.400 -0.135 0.000 2.664 709 D HA -0.211 4.430 4.640 0.001 0.000 0.195 709 D C 1.289 177.316 176.300 -0.455 0.000 1.063 709 D CA 1.228 55.124 54.000 -0.172 0.000 0.935 709 D CB -0.156 40.595 40.800 -0.081 0.000 0.877 709 D HN 0.283 nan 8.370 nan 0.000 0.464 710 L N 0.398 121.273 121.223 -0.579 0.000 3.108 710 L HA 0.192 4.532 4.340 0.001 0.000 0.251 710 L C 0.945 177.273 176.870 -0.904 0.000 1.315 710 L CA -0.043 54.229 54.840 -0.946 0.000 1.048 710 L CB 0.465 42.212 42.059 -0.522 0.000 1.432 710 L HN -0.187 nan 8.230 nan 0.000 0.543 711 E N -0.516 119.225 120.200 -0.765 0.000 2.640 711 E HA 0.181 4.532 4.350 0.001 0.000 0.197 711 E C -2.131 174.512 176.600 0.073 0.000 0.925 711 E CA -0.043 56.277 56.400 -0.135 0.000 1.604 711 E CB 0.603 30.288 29.700 -0.026 0.000 1.769 711 E HN 0.283 nan 8.360 nan 0.000 0.965 712 P HA 0.367 nan 4.420 nan 0.000 0.280 712 P C -0.231 177.135 177.300 0.109 0.000 1.272 712 P CA -0.081 63.026 63.100 0.011 0.000 0.819 712 P CB 1.572 33.286 31.700 0.023 0.000 1.122 713 A N 0.366 123.169 122.820 -0.029 0.000 2.336 713 A HA 0.314 4.634 4.320 0.001 0.000 0.278 713 A C 0.210 177.805 177.584 0.018 0.000 1.371 713 A CA -0.290 51.739 52.037 -0.013 0.000 0.842 713 A CB -0.159 18.813 19.000 -0.047 0.000 1.363 713 A HN 0.650 nan 8.150 nan 0.000 0.517 714 E N -1.202 119.004 120.200 0.009 0.000 2.207 714 E HA 0.588 4.938 4.350 0.001 0.000 0.270 714 E C -0.600 176.010 176.600 0.016 0.000 0.927 714 E CA -0.560 55.852 56.400 0.021 0.000 0.799 714 E CB 1.828 31.544 29.700 0.027 0.000 1.172 714 E HN 0.790 nan 8.360 nan 0.000 0.404 723 V N 2.118 122.050 119.914 0.030 0.000 3.287 723 V HA 0.172 4.293 4.120 0.001 0.000 0.306 723 V C 0.270 176.383 176.094 0.032 0.000 1.103 723 V CA 0.107 62.427 62.300 0.033 0.000 1.159 723 V CB 0.479 32.322 31.823 0.033 0.000 1.036 723 V HN 0.366 nan 8.190 nan 0.000 0.487 724 D N 3.946 124.368 120.400 0.036 0.000 2.339 724 D HA 0.134 4.774 4.640 0.001 0.000 0.256 724 D C -1.281 175.040 176.300 0.034 0.000 1.214 724 D CA -1.877 52.145 54.000 0.036 0.000 0.877 724 D CB 1.389 42.214 40.800 0.042 0.000 1.111 724 D HN 0.367 nan 8.370 nan 0.000 0.478 725 P HA 0.064 nan 4.420 nan 0.000 0.252 725 P C 0.192 177.511 177.300 0.031 0.000 1.265 725 P CA 0.166 63.283 63.100 0.029 0.000 0.775 725 P CB 0.441 32.156 31.700 0.026 0.000 1.128 726 A N -0.374 122.468 122.820 0.036 0.000 2.070 726 A HA 0.147 4.468 4.320 0.001 0.000 0.202 726 A C 1.201 178.810 177.584 0.043 0.000 1.277 726 A CA 0.163 52.223 52.037 0.039 0.000 0.872 726 A CB -0.039 18.986 19.000 0.041 0.000 0.933 726 A HN 0.078 nan 8.150 nan 0.000 0.475 727 K N 0.935 121.362 120.400 0.045 0.000 2.156 727 K HA 0.175 4.495 4.320 0.001 0.000 0.242 727 K C 0.939 177.564 176.600 0.042 0.000 1.033 727 K CA -0.152 56.166 56.287 0.051 0.000 0.878 727 K CB 0.401 32.934 32.500 0.055 0.000 1.057 727 K HN 0.550 nan 8.250 nan 0.000 0.505 728 R N 0.487 121.011 120.500 0.041 0.000 0.882 728 R HA 0.176 4.517 4.340 0.001 0.000 0.048 728 R C 0.184 176.500 176.300 0.026 0.000 0.434 728 R CA 0.215 56.330 56.100 0.025 0.000 2.152 728 R CB -0.184 30.130 30.300 0.023 0.000 0.480 728 R HN 0.486 nan 8.270 nan 0.000 0.799 729 I N 1.305 121.889 120.570 0.022 0.000 2.598 729 I HA 0.257 4.427 4.170 0.001 0.000 0.277 729 I C -0.625 175.503 176.117 0.018 0.000 1.179 729 I CA -0.493 60.820 61.300 0.021 0.000 1.081 729 I CB 1.755 39.765 38.000 0.017 0.000 1.272 729 I HN 0.473 nan 8.210 nan 0.000 0.471 730 R N 3.372 123.884 120.500 0.021 0.000 2.528 730 R HA 0.529 4.869 4.340 0.001 0.000 0.271 730 R C 0.465 176.774 176.300 0.014 0.000 1.056 730 R CA -0.505 55.603 56.100 0.014 0.000 1.117 730 R CB 2.072 32.381 30.300 0.016 0.000 1.085 730 R HN 0.281 nan 8.270 nan 0.000 0.530 731 V N 0.415 120.334 119.914 0.007 0.000 2.344 731 V HA 0.033 4.154 4.120 0.001 0.000 0.198 731 V C 0.620 176.709 176.094 -0.009 0.000 1.042 731 V CA 0.910 63.216 62.300 0.010 0.000 1.150 731 V CB 0.014 31.841 31.823 0.008 0.000 0.716 731 V HN 0.816 nan 8.190 nan 0.000 0.472 732 S N -1.828 113.847 115.700 -0.042 0.000 2.636 732 S HA 0.357 4.827 4.470 0.001 0.000 0.266 732 S C -1.054 173.489 174.600 -0.094 0.000 1.147 732 S CA -0.378 57.717 58.200 -0.175 0.000 0.815 732 S CB 1.181 64.030 63.200 -0.585 0.000 1.119 732 S HN 0.793 nan 8.310 nan 0.000 0.470 733 H N 0.572 119.488 119.070 -0.257 0.000 2.528 733 H HA 0.328 4.884 4.556 0.001 0.000 0.256 733 H C -0.612 174.737 175.328 0.035 0.000 1.204 733 H CA -0.420 55.645 56.048 0.029 0.000 0.955 733 H CB -0.728 29.096 29.762 0.102 0.000 1.817 733 H HN 0.535 nan 8.280 nan 0.000 0.579 734 H N 1.432 120.486 119.070 -0.026 0.000 3.761 734 H HA 0.374 4.931 4.556 0.001 0.000 0.261 734 H C 0.277 175.585 175.328 -0.034 0.000 1.143 734 H CA 0.530 56.536 56.048 -0.070 0.000 1.239 734 H CB -0.622 29.099 29.762 -0.070 0.000 1.344 734 H HN 0.593 nan 8.280 nan 0.000 0.733 735 A N -0.201 122.668 122.820 0.081 0.000 2.355 735 A HA 0.503 4.824 4.320 0.001 0.000 0.324 735 A C 0.829 178.398 177.584 -0.025 0.000 1.117 735 A CA -0.570 51.374 52.037 -0.155 0.000 0.785 735 A CB 1.384 19.944 19.000 -0.733 0.000 1.254 735 A HN 0.253 nan 8.150 nan 0.000 0.453 736 T N -0.126 114.384 114.554 -0.074 0.000 2.964 736 T HA 0.025 4.376 4.350 0.001 0.000 0.249 736 T C 1.471 176.189 174.700 0.030 0.000 1.000 736 T CA 1.127 63.263 62.100 0.061 0.000 0.992 736 T CB -0.019 68.881 68.868 0.052 0.000 1.087 736 T HN 0.838 nan 8.240 nan 0.000 0.489 737 T N 0.814 115.310 114.554 -0.097 0.000 3.284 737 T HA 0.240 4.590 4.350 0.001 0.000 0.252 737 T C 0.487 175.169 174.700 -0.030 0.000 1.144 737 T CA -0.319 61.744 62.100 -0.062 0.000 1.021 737 T CB -1.243 67.576 68.868 -0.082 0.000 0.984 737 T HN 0.226 nan 8.240 nan 0.000 0.545 738 F N 3.607 123.584 119.950 0.046 0.000 2.549 738 F HA 0.030 4.558 4.527 0.001 0.000 0.400 738 F C 2.085 177.897 175.800 0.020 0.000 1.011 738 F CA 0.304 58.333 58.000 0.047 0.000 1.148 738 F CB 0.367 39.399 39.000 0.053 0.000 0.993 738 F HN 0.272 nan 8.300 nan 0.000 0.540 739 T N -0.701 113.994 114.554 0.235 0.000 3.040 739 T HA 0.156 4.507 4.350 0.001 0.000 0.252 739 T C 0.104 174.688 174.700 -0.193 0.000 1.064 739 T CA 0.344 62.470 62.100 0.044 0.000 1.110 739 T CB -0.022 68.919 68.868 0.122 0.000 0.921 739 T HN 0.517 nan 8.240 nan 0.000 0.480 740 H N -0.914 118.248 119.070 0.154 0.000 2.985 740 H HA 0.731 5.287 4.556 0.001 0.000 0.360 740 H C -1.237 174.166 175.328 0.126 0.000 1.221 740 H CA -1.106 55.020 56.048 0.130 0.000 1.121 740 H CB 1.486 31.318 29.762 0.118 0.000 1.854 740 H HN 0.310 nan 8.280 nan 0.000 0.551 741 C N 1.120 120.579 119.300 0.266 0.000 2.634 741 C HA 0.522 4.983 4.460 0.001 0.000 0.313 741 C C -0.282 174.790 174.990 0.136 0.000 1.198 741 C CA -0.460 58.653 59.018 0.158 0.000 1.605 741 C CB 0.860 28.698 27.740 0.163 0.000 2.196 741 C HN 0.935 nan 8.230 nan 0.000 0.486 742 E N 2.816 123.036 120.200 0.033 0.000 2.257 742 E HA 0.249 4.599 4.350 0.001 0.000 0.278 742 E C 1.002 177.466 176.600 -0.227 0.000 1.049 742 E CA 0.086 56.462 56.400 -0.041 0.000 0.876 742 E CB 0.403 30.106 29.700 0.004 0.000 1.035 742 E HN 0.577 nan 8.360 nan 0.000 0.419 743 I N 2.971 123.285 120.570 -0.427 0.000 2.315 743 I HA -0.217 3.954 4.170 0.001 0.000 0.251 743 I C 0.409 176.314 176.117 -0.353 0.000 1.125 743 I CA 1.214 62.070 61.300 -0.740 0.000 1.392 743 I CB -0.256 37.391 38.000 -0.588 0.000 1.065 743 I HN 0.592 nan 8.210 nan 0.000 0.424 744 H N -1.794 117.089 119.070 -0.312 0.000 2.998 744 H HA 0.043 4.599 4.556 0.001 0.000 0.293 744 H C -2.208 173.060 175.328 -0.099 0.000 1.248 744 H CA -0.875 55.023 56.048 -0.252 0.000 1.691 744 H CB 0.915 30.390 29.762 -0.478 0.000 2.267 744 H HN -0.316 nan 8.280 nan 0.000 0.448 745 P HA -0.237 nan 4.420 nan 0.000 0.215 745 P C 1.407 178.705 177.300 -0.005 0.000 1.157 745 P CA 2.304 65.248 63.100 -0.259 0.000 0.874 745 P CB 0.029 31.438 31.700 -0.485 0.000 0.790 746 S N -0.963 114.867 115.700 0.217 0.000 2.461 746 S HA -0.147 4.323 4.470 0.001 0.000 0.246 746 S C 1.727 176.451 174.600 0.208 0.000 1.007 746 S CA 1.131 59.567 58.200 0.393 0.000 0.976 746 S CB -1.153 62.393 63.200 0.577 0.000 0.763 746 S HN -0.006 nan 8.310 nan 0.000 0.508 747 M N 1.635 121.310 119.600 0.124 0.000 2.618 747 M HA 0.273 4.753 4.480 0.001 0.000 0.240 747 M C 1.772 178.028 176.300 -0.074 0.000 1.123 747 M CA 0.197 55.530 55.300 0.056 0.000 1.060 747 M CB -1.287 31.347 32.600 0.056 0.000 1.535 747 M HN 0.605 nan 8.290 nan 0.000 0.507 748 I N -1.906 118.551 120.570 -0.187 0.000 2.614 748 I HA -0.081 4.089 4.170 0.001 0.000 0.258 748 I C 0.949 176.936 176.117 -0.217 0.000 1.189 748 I CA 0.379 61.452 61.300 -0.379 0.000 1.462 748 I CB -0.484 37.105 38.000 -0.684 0.000 1.092 748 I HN 0.035 nan 8.210 nan 0.000 0.442 749 L N 1.359 122.517 121.223 -0.107 0.000 2.479 749 L HA 0.530 4.870 4.340 0.001 0.000 0.248 749 L C 0.829 177.660 176.870 -0.064 0.000 1.205 749 L CA -0.176 54.619 54.840 -0.075 0.000 0.817 749 L CB 0.213 42.248 42.059 -0.041 0.000 1.162 749 L HN 0.162 nan 8.230 nan 0.000 0.486 750 G N -0.844 107.916 108.800 -0.068 0.000 2.932 750 G HA2 0.438 4.398 3.960 0.001 0.000 0.283 750 G HA3 0.438 4.398 3.960 0.001 0.000 0.283 750 G C 0.663 175.522 174.900 -0.069 0.000 1.336 750 G CA -0.569 44.492 45.100 -0.065 0.000 1.056 750 G HN 0.341 nan 8.290 nan 0.000 0.522 751 V N 0.705 120.576 119.914 -0.073 0.000 2.453 751 V HA -0.213 3.907 4.120 0.001 0.000 0.252 751 V C 3.093 179.136 176.094 -0.085 0.000 1.068 751 V CA 2.791 65.043 62.300 -0.080 0.000 1.070 751 V CB -0.921 30.854 31.823 -0.080 0.000 0.664 751 V HN 0.806 nan 8.190 nan 0.000 0.461 752 A N -0.148 122.624 122.820 -0.080 0.000 1.854 752 A HA 0.047 4.367 4.320 0.001 0.000 0.214 752 A C 2.407 179.934 177.584 -0.095 0.000 1.192 752 A CA 1.659 53.648 52.037 -0.080 0.000 0.611 752 A CB -0.801 18.161 19.000 -0.063 0.000 0.832 752 A HN 0.545 nan 8.150 nan 0.000 0.442 753 A N -0.647 122.123 122.820 -0.083 0.000 1.969 753 A HA -0.013 4.308 4.320 0.001 0.000 0.218 753 A C 2.230 179.754 177.584 -0.101 0.000 1.169 753 A CA 1.716 53.705 52.037 -0.081 0.000 0.635 753 A CB -0.784 18.177 19.000 -0.065 0.000 0.810 753 A HN 0.402 nan 8.150 nan 0.000 0.445 754 S N -0.506 115.131 115.700 -0.105 0.000 2.528 754 S HA -0.013 4.457 4.470 0.001 0.000 0.244 754 S C 1.235 175.727 174.600 -0.180 0.000 0.982 754 S CA 0.977 59.110 58.200 -0.111 0.000 0.953 754 S CB -0.420 62.725 63.200 -0.090 0.000 0.754 754 S HN 0.589 nan 8.310 nan 0.000 0.529 755 I N 0.432 120.859 120.570 -0.239 0.000 4.018 755 I HA 0.207 4.378 4.170 0.001 0.000 0.337 755 I C -0.122 175.818 176.117 -0.295 0.000 1.327 755 I CA 0.111 61.185 61.300 -0.376 0.000 1.100 755 I CB 0.271 37.924 38.000 -0.578 0.000 1.025 755 I HN 0.118 nan 8.210 nan 0.000 0.396 756 I N 5.099 125.554 120.570 -0.191 0.000 2.436 756 I HA 0.131 4.302 4.170 0.001 0.000 0.289 756 I C -2.090 173.958 176.117 -0.114 0.000 1.083 756 I CA -1.613 59.609 61.300 -0.130 0.000 1.372 756 I CB 0.242 38.217 38.000 -0.042 0.000 1.408 756 I HN -0.184 nan 8.210 nan 0.000 0.516 757 P HA 0.138 nan 4.420 nan 0.000 0.281 757 P C -0.198 177.082 177.300 -0.033 0.000 1.286 757 P CA -0.013 62.939 63.100 -0.248 0.000 0.772 757 P CB 0.198 31.688 31.700 -0.349 0.000 0.862 758 F N 2.086 122.054 119.950 0.030 0.000 3.023 758 F HA -0.152 4.375 4.527 0.001 0.000 0.297 758 F C -0.787 175.061 175.800 0.080 0.000 0.858 758 F CA -0.517 57.518 58.000 0.059 0.000 1.222 758 F CB -1.902 37.092 39.000 -0.011 0.000 1.263 758 F HN 0.296 nan 8.300 nan 0.000 0.565 759 P HA -0.211 nan 4.420 nan 0.000 0.219 759 P C 0.803 178.142 177.300 0.064 0.000 1.144 759 P CA 2.228 65.379 63.100 0.086 0.000 0.806 759 P CB -0.110 31.591 31.700 0.001 0.000 0.771 760 D N -2.261 118.165 120.400 0.043 0.000 2.352 760 D HA -0.077 4.563 4.640 0.001 0.000 0.236 760 D C 0.976 177.227 176.300 -0.081 0.000 1.148 760 D CA 0.011 54.011 54.000 -0.000 0.000 0.844 760 D CB -1.085 39.679 40.800 -0.060 0.000 0.933 760 D HN 0.329 nan 8.370 nan 0.000 0.507 761 H N -1.068 118.016 119.070 0.023 0.000 3.540 761 H HA 0.219 4.775 4.556 0.001 0.000 0.259 761 H C -0.179 175.137 175.328 -0.021 0.000 1.197 761 H CA -0.434 55.608 56.048 -0.010 0.000 1.136 761 H CB 0.773 30.514 29.762 -0.036 0.000 1.605 761 H HN 0.020 nan 8.280 nan 0.000 0.657 762 N N 1.150 119.902 118.700 0.087 0.000 2.483 762 N HA 0.078 4.819 4.740 0.001 0.000 0.285 762 N C -0.035 175.486 175.510 0.018 0.000 1.210 762 N CA -0.439 52.633 53.050 0.037 0.000 0.931 762 N CB 1.774 40.286 38.487 0.042 0.000 1.220 762 N HN 0.206 nan 8.380 nan 0.000 0.542 763 Q N 0.472 120.276 119.800 0.007 0.000 2.297 763 Q HA 0.066 4.407 4.340 0.001 0.000 0.267 763 Q C 1.047 177.029 176.000 -0.030 0.000 1.006 763 Q CA 0.063 55.861 55.803 -0.007 0.000 0.896 763 Q CB 0.654 29.389 28.738 -0.005 0.000 1.186 763 Q HN 0.671 nan 8.270 nan 0.000 0.392 764 S N 5.133 120.813 115.700 -0.032 0.000 2.444 764 S HA -0.205 4.265 4.470 0.001 0.000 0.274 764 S C -0.762 173.769 174.600 -0.116 0.000 1.130 764 S CA 2.251 60.421 58.200 -0.051 0.000 1.243 764 S CB -0.897 62.277 63.200 -0.043 0.000 1.166 764 S HN 0.883 nan 8.310 nan 0.000 0.439 765 P HA -0.108 nan 4.420 nan 0.000 0.217 765 P C 1.238 178.205 177.300 -0.556 0.000 1.150 765 P CA 1.117 63.980 63.100 -0.395 0.000 0.832 765 P CB -0.251 31.212 31.700 -0.395 0.000 0.787 766 R N 0.036 120.376 120.500 -0.267 0.000 2.139 766 R HA -0.087 4.253 4.340 0.001 0.000 0.243 766 R C 1.918 178.207 176.300 -0.018 0.000 1.145 766 R CA 0.953 57.017 56.100 -0.060 0.000 0.976 766 R CB -1.435 28.912 30.300 0.078 0.000 0.866 766 R HN 0.316 nan 8.270 nan 0.000 0.449 767 N N -0.373 118.295 118.700 -0.052 0.000 2.331 767 N HA -0.063 4.677 4.740 0.001 0.000 0.180 767 N C 1.429 176.911 175.510 -0.047 0.000 1.019 767 N CA 1.194 54.238 53.050 -0.010 0.000 0.881 767 N CB -0.190 38.291 38.487 -0.010 0.000 0.972 767 N HN 0.188 nan 8.380 nan 0.000 0.435 768 T N 0.340 114.806 114.554 -0.146 0.000 2.857 768 T HA -0.025 4.325 4.350 0.001 0.000 0.266 768 T C 1.694 176.392 174.700 -0.003 0.000 1.048 768 T CA 0.805 62.828 62.100 -0.129 0.000 1.139 768 T CB -0.281 68.449 68.868 -0.229 0.000 0.874 768 T HN 0.341 nan 8.240 nan 0.000 0.455 769 Y N 1.293 121.595 120.300 0.003 0.000 2.070 769 Y HA -0.214 4.336 4.550 0.001 0.000 0.279 769 Y C 3.063 178.965 175.900 0.002 0.000 1.134 769 Y CA 0.856 58.958 58.100 0.004 0.000 1.113 769 Y CB -0.306 38.163 38.460 0.015 0.000 0.981 769 Y HN 0.117 nan 8.280 nan 0.000 0.487 770 Q N 0.832 120.744 119.800 0.187 0.000 2.152 770 Q HA -0.180 4.161 4.340 0.001 0.000 0.206 770 Q C 1.971 177.997 176.000 0.042 0.000 0.985 770 Q CA 2.185 58.041 55.803 0.087 0.000 0.863 770 Q CB -0.548 28.220 28.738 0.051 0.000 0.904 770 Q HN 0.246 nan 8.270 nan 0.000 0.422 771 S N -0.414 115.305 115.700 0.032 0.000 2.442 771 S HA -0.068 4.403 4.470 0.001 0.000 0.236 771 S C 1.689 176.293 174.600 0.007 0.000 1.007 771 S CA 0.890 59.089 58.200 -0.002 0.000 0.965 771 S CB -0.332 62.857 63.200 -0.020 0.000 0.773 771 S HN 0.613 nan 8.310 nan 0.000 0.504 772 A N 1.108 123.953 122.820 0.042 0.000 1.911 772 A HA 0.211 4.532 4.320 0.001 0.000 0.212 772 A C 2.062 179.668 177.584 0.037 0.000 1.189 772 A CA 0.514 52.572 52.037 0.036 0.000 0.639 772 A CB -0.368 18.670 19.000 0.064 0.000 0.839 772 A HN 0.401 nan 8.150 nan 0.000 0.449 773 M N -0.321 119.309 119.600 0.051 0.000 2.099 773 M HA -0.078 4.402 4.480 0.001 0.000 0.262 773 M C 2.293 178.624 176.300 0.051 0.000 1.067 773 M CA 1.462 56.793 55.300 0.051 0.000 1.124 773 M CB -0.854 31.776 32.600 0.049 0.000 1.353 773 M HN 0.495 nan 8.290 nan 0.000 0.410 774 G N 1.178 110.003 108.800 0.043 0.000 2.532 774 G HA2 -0.231 3.729 3.960 0.001 0.000 0.222 774 G HA3 -0.231 3.729 3.960 0.001 0.000 0.222 774 G C 1.447 176.391 174.900 0.073 0.000 1.102 774 G CA 0.868 46.005 45.100 0.061 0.000 0.742 774 G HN 0.484 nan 8.290 nan 0.000 0.577 775 K N -0.402 120.026 120.400 0.046 0.000 2.505 775 K HA 0.123 4.443 4.320 0.001 0.000 0.192 775 K C 1.371 178.053 176.600 0.136 0.000 1.025 775 K CA 0.275 56.584 56.287 0.037 0.000 1.086 775 K CB 0.350 32.824 32.500 -0.043 0.000 0.840 775 K HN 0.330 nan 8.250 nan 0.000 0.514 776 Q N -0.272 119.593 119.800 0.108 0.000 2.093 776 Q HA 0.241 4.581 4.340 0.001 0.000 0.217 776 Q C -0.482 175.518 176.000 0.000 0.000 0.785 776 Q CA -0.401 55.439 55.803 0.062 0.000 1.038 776 Q CB 1.570 30.332 28.738 0.040 0.000 1.190 776 Q HN 0.187 nan 8.270 nan 0.000 0.468 777 A N 0.660 123.513 122.820 0.055 0.000 2.242 777 A HA 0.723 5.043 4.320 0.001 0.000 0.304 777 A C -0.223 177.393 177.584 0.055 0.000 1.100 777 A CA -0.315 51.750 52.037 0.046 0.000 0.860 777 A CB 0.658 19.720 19.000 0.104 0.000 1.168 777 A HN 0.220 nan 8.150 nan 0.000 0.503 778 M N -0.359 119.275 119.600 0.056 0.000 2.644 778 M HA 0.600 5.080 4.480 0.001 0.000 0.316 778 M C 0.639 177.005 176.300 0.110 0.000 1.200 778 M CA 0.101 55.444 55.300 0.072 0.000 0.944 778 M CB 2.210 34.834 32.600 0.040 0.000 1.691 778 M HN 1.001 nan 8.290 nan 0.000 0.471 779 G N 0.616 109.483 108.800 0.112 0.000 2.927 779 G HA2 0.439 4.399 3.960 0.001 0.000 0.111 779 G HA3 0.439 4.399 3.960 0.001 0.000 0.111 779 G C -1.731 173.205 174.900 0.061 0.000 1.198 779 G CA -0.338 44.810 45.100 0.080 0.000 1.382 779 G HN 0.517 nan 8.290 nan 0.000 0.663 780 V N 2.040 121.969 119.914 0.027 0.000 2.509 780 V HA 0.351 4.471 4.120 0.001 0.000 0.289 780 V C 0.349 176.433 176.094 -0.018 0.000 1.026 780 V CA -0.341 61.933 62.300 -0.043 0.000 0.872 780 V CB 0.931 32.688 31.823 -0.109 0.000 1.017 780 V HN 0.880 nan 8.190 nan 0.000 0.436 781 F N 3.767 123.742 119.950 0.042 0.000 2.615 781 F HA 0.596 5.124 4.527 0.001 0.000 0.297 781 F C 0.154 176.030 175.800 0.127 0.000 1.124 781 F CA 0.259 58.321 58.000 0.104 0.000 1.451 781 F CB 0.137 39.191 39.000 0.090 0.000 1.103 781 F HN 0.257 nan 8.300 nan 0.000 0.569 782 L N 0.561 121.476 121.223 -0.513 0.000 2.703 782 L HA 0.115 4.456 4.340 0.001 0.000 0.257 782 L C 0.805 177.456 176.870 -0.366 0.000 0.923 782 L CA -0.083 54.576 54.840 -0.303 0.000 0.936 782 L CB 1.975 43.953 42.059 -0.135 0.000 1.482 782 L HN 0.071 nan 8.230 nan 0.000 0.432 783 T N -2.971 111.443 114.554 -0.233 0.000 3.098 783 T HA -0.068 4.283 4.350 0.001 0.000 0.266 783 T C 0.891 175.431 174.700 -0.266 0.000 1.145 783 T CA 1.029 63.008 62.100 -0.202 0.000 1.092 783 T CB -0.444 68.366 68.868 -0.096 0.000 0.908 783 T HN 0.664 nan 8.240 nan 0.000 0.526 784 N N 0.866 119.414 118.700 -0.253 0.000 2.279 784 N HA 0.002 4.742 4.740 0.001 0.000 0.226 784 N C 1.194 176.542 175.510 -0.269 0.000 1.126 784 N CA -0.422 52.477 53.050 -0.252 0.000 0.846 784 N CB -0.683 37.710 38.487 -0.156 0.000 1.050 784 N HN 0.650 nan 8.380 nan 0.000 0.502 785 Y N 0.623 120.719 120.300 -0.341 0.000 2.193 785 Y HA -0.123 4.427 4.550 0.001 0.000 0.285 785 Y C 1.625 177.352 175.900 -0.289 0.000 1.166 785 Y CA 1.324 59.205 58.100 -0.364 0.000 1.181 785 Y CB -1.382 36.774 38.460 -0.506 0.000 0.976 785 Y HN 0.041 nan 8.280 nan 0.000 0.520 786 N N 0.028 118.359 118.700 -0.614 0.000 2.348 786 N HA -0.122 4.618 4.740 0.001 0.000 0.185 786 N C 0.912 176.305 175.510 -0.194 0.000 1.019 786 N CA 1.637 54.450 53.050 -0.394 0.000 0.880 786 N CB -0.054 38.142 38.487 -0.485 0.000 0.965 786 N HN 0.354 nan 8.380 nan 0.000 0.437 787 V N -0.446 119.371 119.914 -0.162 0.000 3.578 787 V HA 0.203 4.323 4.120 0.001 0.000 0.290 787 V C 0.507 176.572 176.094 -0.047 0.000 1.376 787 V CA 0.122 62.368 62.300 -0.090 0.000 1.083 787 V CB -0.078 31.696 31.823 -0.082 0.000 0.911 787 V HN 0.137 nan 8.190 nan 0.000 0.433 788 R N 0.493 120.973 120.500 -0.034 0.000 2.486 788 R HA 0.543 4.883 4.340 0.001 0.000 0.286 788 R C -0.015 176.284 176.300 -0.002 0.000 0.999 788 R CA -0.407 55.701 56.100 0.014 0.000 0.993 788 R CB 1.010 31.363 30.300 0.087 0.000 1.084 788 R HN 0.078 nan 8.270 nan 0.000 0.487 789 M N 2.907 122.515 119.600 0.013 0.000 3.043 789 M HA 0.132 4.612 4.480 0.001 0.000 0.309 789 M C -1.130 175.173 176.300 0.006 0.000 1.202 789 M CA -0.694 54.609 55.300 0.005 0.000 0.869 789 M CB -0.123 32.482 32.600 0.009 0.000 1.327 789 M HN 0.574 nan 8.290 nan 0.000 0.524 790 D N 0.611 121.011 120.400 -0.000 0.000 2.339 790 D HA 0.243 4.883 4.640 0.001 0.000 0.245 790 D C 0.491 176.761 176.300 -0.051 0.000 1.115 790 D CA -0.222 53.766 54.000 -0.021 0.000 0.917 790 D CB 0.470 41.246 40.800 -0.040 0.000 1.192 790 D HN 0.211 nan 8.370 nan 0.000 0.428 791 T N -1.065 113.451 114.554 -0.064 0.000 2.870 791 T HA 0.353 4.704 4.350 0.001 0.000 0.300 791 T C 0.643 175.276 174.700 -0.111 0.000 0.989 791 T CA -0.947 61.090 62.100 -0.105 0.000 1.139 791 T CB 0.159 68.966 68.868 -0.103 0.000 0.920 791 T HN 0.702 nan 8.240 nan 0.000 0.537 792 M N 1.735 121.240 119.600 -0.158 0.000 4.047 792 M HA -0.011 4.470 4.480 0.001 0.000 0.157 792 M C -0.720 175.519 176.300 -0.102 0.000 1.532 792 M CA 1.238 56.458 55.300 -0.133 0.000 1.097 792 M CB -0.989 31.616 32.600 0.009 0.000 1.346 792 M HN 1.694 nan 8.290 nan 0.000 0.190 793 A N 5.007 127.786 122.820 -0.068 0.000 2.583 793 A HA 0.700 5.021 4.320 0.001 0.000 0.298 793 A C -1.439 176.257 177.584 0.186 0.000 1.055 793 A CA -0.853 51.191 52.037 0.013 0.000 0.714 793 A CB 1.377 20.390 19.000 0.021 0.000 1.277 793 A HN 0.817 nan 8.150 nan 0.000 0.406 794 N N 0.983 119.791 118.700 0.180 0.000 2.354 794 N HA 0.600 5.340 4.740 0.001 0.000 0.287 794 N C -1.665 173.943 175.510 0.163 0.000 1.016 794 N CA -0.330 52.839 53.050 0.198 0.000 0.871 794 N CB 1.924 40.475 38.487 0.108 0.000 1.299 794 N HN 0.461 nan 8.380 nan 0.000 0.482 795 I N 2.371 123.005 120.570 0.107 0.000 2.433 795 I HA 0.246 4.417 4.170 0.001 0.000 0.292 795 I C -0.349 175.816 176.117 0.079 0.000 1.001 795 I CA -0.701 60.602 61.300 0.004 0.000 1.119 795 I CB 1.578 39.398 38.000 -0.301 0.000 1.289 795 I HN 0.303 nan 8.210 nan 0.000 0.438 796 L N 7.258 128.536 121.223 0.092 0.000 2.360 796 L HA 0.139 4.479 4.340 0.001 0.000 0.276 796 L C 0.724 177.725 176.870 0.217 0.000 1.121 796 L CA 0.500 55.418 54.840 0.130 0.000 0.845 796 L CB -0.019 42.114 42.059 0.123 0.000 1.143 796 L HN 0.498 nan 8.230 nan 0.000 0.452 797 Y N 5.334 125.645 120.300 0.018 0.000 2.014 797 Y HA -0.228 4.323 4.550 0.001 0.000 0.272 797 Y C 0.624 176.696 175.900 0.287 0.000 1.164 797 Y CA 1.600 59.709 58.100 0.015 0.000 1.114 797 Y CB -0.502 37.778 38.460 -0.300 0.000 0.961 797 Y HN 0.502 nan 8.280 nan 0.000 0.489 798 Y N 0.553 120.949 120.300 0.160 0.000 2.805 798 Y HA 0.304 4.854 4.550 0.001 0.000 0.339 798 Y C -2.222 173.679 175.900 0.002 0.000 1.012 798 Y CA -2.893 55.235 58.100 0.046 0.000 1.262 798 Y CB 0.634 39.105 38.460 0.019 0.000 1.100 798 Y HN -0.037 nan 8.280 nan 0.000 0.559 799 P HA 0.063 nan 4.420 nan 0.000 0.269 799 P C -0.791 176.539 177.300 0.049 0.000 1.209 799 P CA 0.136 63.278 63.100 0.069 0.000 0.776 799 P CB 0.733 32.444 31.700 0.018 0.000 0.876 800 Q N 1.283 121.127 119.800 0.073 0.000 2.285 800 Q HA 0.218 4.558 4.340 0.001 0.000 0.269 800 Q C -0.459 175.594 176.000 0.089 0.000 1.030 800 Q CA -1.036 54.812 55.803 0.075 0.000 0.788 800 Q CB 2.196 30.998 28.738 0.106 0.000 1.266 800 Q HN 0.383 nan 8.270 nan 0.000 0.438 801 K N 2.247 122.633 120.400 -0.023 0.000 2.401 801 K HA 0.305 4.625 4.320 0.001 0.000 0.278 801 K C -2.348 174.165 176.600 -0.145 0.000 1.018 801 K CA -1.278 54.946 56.287 -0.104 0.000 0.981 801 K CB 0.238 32.676 32.500 -0.104 0.000 0.933 801 K HN 0.171 nan 8.250 nan 0.000 0.477 802 P HA -0.037 nan 4.420 nan 0.000 0.271 802 P C 0.510 177.655 177.300 -0.260 0.000 1.216 802 P CA -0.206 62.530 63.100 -0.608 0.000 0.776 802 P CB 0.886 31.894 31.700 -1.154 0.000 0.881 803 L N 2.700 123.837 121.223 -0.143 0.000 1.899 803 L HA -0.028 4.312 4.340 0.001 0.000 0.220 803 L C 1.779 178.575 176.870 -0.124 0.000 1.091 803 L CA 1.493 56.280 54.840 -0.089 0.000 0.781 803 L CB -1.539 40.498 42.059 -0.037 0.000 0.886 803 L HN 0.490 nan 8.230 nan 0.000 0.430 804 G N 0.096 108.821 108.800 -0.124 0.000 2.254 804 G HA2 0.277 4.238 3.960 0.001 0.000 0.253 804 G HA3 0.277 4.238 3.960 0.001 0.000 0.253 804 G C 0.013 174.768 174.900 -0.242 0.000 1.246 804 G CA 0.390 45.383 45.100 -0.177 0.000 0.946 804 G HN 0.470 nan 8.290 nan 0.000 0.474 805 T N -0.842 113.573 114.554 -0.231 0.000 2.645 805 T HA 0.804 5.154 4.350 0.001 0.000 0.273 805 T C -0.230 174.330 174.700 -0.232 0.000 0.960 805 T CA -0.746 61.217 62.100 -0.229 0.000 1.051 805 T CB 2.186 70.955 68.868 -0.164 0.000 1.366 805 T HN 0.398 nan 8.240 nan 0.000 0.536 806 T N 0.597 115.033 114.554 -0.198 0.000 2.912 806 T HA 0.434 4.785 4.350 0.001 0.000 0.299 806 T C 0.994 175.583 174.700 -0.185 0.000 1.052 806 T CA -0.913 61.081 62.100 -0.176 0.000 0.996 806 T CB 1.965 70.732 68.868 -0.168 0.000 1.070 806 T HN 0.544 nan 8.240 nan 0.000 0.465 807 R N 1.455 121.803 120.500 -0.254 0.000 2.159 807 R HA -0.039 4.302 4.340 0.001 0.000 0.237 807 R C 2.051 178.149 176.300 -0.337 0.000 1.131 807 R CA 1.132 56.927 56.100 -0.509 0.000 0.982 807 R CB -0.837 28.753 30.300 -1.182 0.000 0.868 807 R HN 0.655 nan 8.270 nan 0.000 0.453 808 A N 0.985 123.700 122.820 -0.176 0.000 2.016 808 A HA -0.002 4.318 4.320 0.001 0.000 0.217 808 A C 2.212 179.823 177.584 0.045 0.000 1.162 808 A CA 0.513 52.522 52.037 -0.046 0.000 0.662 808 A CB -0.264 18.714 19.000 -0.036 0.000 0.812 808 A HN 0.152 nan 8.150 nan 0.000 0.450 809 M N -0.622 118.959 119.600 -0.030 0.000 2.149 809 M HA -0.209 4.272 4.480 0.001 0.000 0.261 809 M C 1.976 178.310 176.300 0.058 0.000 1.064 809 M CA 1.932 57.233 55.300 0.001 0.000 1.102 809 M CB -0.591 31.992 32.600 -0.029 0.000 1.369 809 M HN 0.598 nan 8.290 nan 0.000 0.408 810 E N 0.303 120.513 120.200 0.016 0.000 2.301 810 E HA -0.241 4.109 4.350 0.001 0.000 0.202 810 E C 1.013 177.471 176.600 -0.236 0.000 1.017 810 E CA 1.592 57.920 56.400 -0.118 0.000 0.831 810 E CB 0.059 29.635 29.700 -0.208 0.000 0.742 810 E HN 0.649 nan 8.360 nan 0.000 0.491 811 Y N -1.307 118.909 120.300 -0.139 0.000 2.442 811 Y HA 0.224 4.775 4.550 0.001 0.000 0.250 811 Y C 1.445 177.233 175.900 -0.185 0.000 1.113 811 Y CA -0.022 57.946 58.100 -0.220 0.000 1.273 811 Y CB 0.426 38.596 38.460 -0.484 0.000 1.138 811 Y HN -0.037 nan 8.280 nan 0.000 0.522 812 L N 0.229 121.496 121.223 0.074 0.000 2.611 812 L HA 0.089 4.429 4.340 0.001 0.000 0.229 812 L C 0.425 177.453 176.870 0.264 0.000 1.137 812 L CA 0.157 55.082 54.840 0.141 0.000 0.901 812 L CB -0.109 42.016 42.059 0.111 0.000 1.098 812 L HN -0.001 nan 8.230 nan 0.000 0.456 813 K N -1.372 119.113 120.400 0.142 0.000 3.130 813 K HA -0.284 4.036 4.320 0.001 0.000 0.282 813 K C 0.872 177.485 176.600 0.020 0.000 1.145 813 K CA 0.813 57.140 56.287 0.066 0.000 0.831 813 K CB -2.510 30.002 32.500 0.019 0.000 1.226 813 K HN 0.264 nan 8.250 nan 0.000 0.478 814 F N 1.220 121.152 119.950 -0.029 0.000 2.216 814 F HA -0.116 4.412 4.527 0.001 0.000 0.300 814 F C 2.403 178.151 175.800 -0.088 0.000 1.085 814 F CA 1.592 59.567 58.000 -0.041 0.000 1.326 814 F CB 0.023 39.002 39.000 -0.035 0.000 1.027 814 F HN 0.108 nan 8.300 nan 0.000 0.497 815 R N -0.354 120.129 120.500 -0.028 0.000 2.115 815 R HA -0.138 4.203 4.340 0.001 0.000 0.230 815 R C 2.013 178.207 176.300 -0.177 0.000 1.111 815 R CA 1.352 57.387 56.100 -0.108 0.000 0.976 815 R CB -0.167 30.097 30.300 -0.060 0.000 0.870 815 R HN 0.208 nan 8.270 nan 0.000 0.445 816 E N 0.200 120.292 120.200 -0.180 0.000 2.028 816 E HA -0.041 4.310 4.350 0.001 0.000 0.191 816 E C 0.123 176.475 176.600 -0.413 0.000 0.988 816 E CA 0.985 57.242 56.400 -0.239 0.000 0.799 816 E CB 0.262 29.852 29.700 -0.183 0.000 0.755 816 E HN 0.149 nan 8.360 nan 0.000 0.447 817 L N 1.899 122.814 121.223 -0.515 0.000 2.581 817 L HA 0.375 4.715 4.340 0.001 0.000 0.241 817 L C -2.218 174.355 176.870 -0.495 0.000 1.265 817 L CA -1.861 52.681 54.840 -0.496 0.000 0.954 817 L CB 0.876 42.561 42.059 -0.623 0.000 1.269 817 L HN 0.001 nan 8.230 nan 0.000 0.475 818 P HA 0.073 nan 4.420 nan 0.000 0.273 818 P C -0.124 176.930 177.300 -0.409 0.000 1.258 818 P CA -0.210 62.453 63.100 -0.729 0.000 0.802 818 P CB 1.256 32.763 31.700 -0.322 0.000 1.040 819 A N -0.730 121.999 122.820 -0.152 0.000 3.339 819 A HA 0.628 4.949 4.320 0.001 0.000 0.219 819 A C 0.029 177.737 177.584 0.207 0.000 0.974 819 A CA 0.290 52.401 52.037 0.122 0.000 1.050 819 A CB -0.209 18.937 19.000 0.243 0.000 1.271 819 A HN 0.846 nan 8.150 nan 0.000 0.565 820 G N -0.483 108.387 108.800 0.117 0.000 2.323 820 G HA2 0.514 4.475 3.960 0.001 0.000 0.291 820 G HA3 0.514 4.475 3.960 0.001 0.000 0.291 820 G C -1.746 173.019 174.900 -0.226 0.000 1.278 820 G CA -0.473 44.481 45.100 -0.243 0.000 0.860 820 G HN 0.437 nan 8.290 nan 0.000 0.504 821 Q N -0.495 119.059 119.800 -0.411 0.000 2.377 821 Q HA 0.346 4.687 4.340 0.001 0.000 0.279 821 Q C -1.134 174.862 176.000 -0.006 0.000 1.049 821 Q CA -0.965 54.742 55.803 -0.161 0.000 0.825 821 Q CB 2.312 30.746 28.738 -0.506 0.000 1.401 821 Q HN 0.482 nan 8.270 nan 0.000 0.404 822 N N 1.207 120.003 118.700 0.160 0.000 2.415 822 N HA 0.303 5.043 4.740 0.001 0.000 0.250 822 N C -1.101 174.454 175.510 0.074 0.000 1.127 822 N CA 0.085 53.249 53.050 0.190 0.000 0.945 822 N CB 1.087 39.666 38.487 0.154 0.000 1.196 822 N HN 0.497 nan 8.380 nan 0.000 0.499 823 A N 3.150 126.035 122.820 0.108 0.000 2.306 823 A HA 0.454 4.774 4.320 0.001 0.000 0.314 823 A C 0.301 177.918 177.584 0.055 0.000 1.164 823 A CA -0.669 51.401 52.037 0.056 0.000 0.822 823 A CB 0.774 19.835 19.000 0.102 0.000 1.130 823 A HN 0.496 nan 8.150 nan 0.000 0.496 824 I N 2.921 123.494 120.570 0.004 0.000 2.379 824 I HA 0.189 4.359 4.170 0.001 0.000 0.290 824 I C -0.202 175.829 176.117 -0.143 0.000 1.063 824 I CA 0.236 61.527 61.300 -0.015 0.000 1.351 824 I CB 0.384 38.410 38.000 0.044 0.000 1.410 824 I HN 0.243 nan 8.210 nan 0.000 0.505 825 V N 6.212 126.017 119.914 -0.181 0.000 2.495 825 V HA 0.681 4.801 4.120 0.001 0.000 0.298 825 V C 0.322 176.123 176.094 -0.488 0.000 1.031 825 V CA -0.812 61.347 62.300 -0.236 0.000 0.871 825 V CB 1.708 33.565 31.823 0.057 0.000 0.988 825 V HN 0.833 nan 8.190 nan 0.000 0.432 826 A N 5.574 128.085 122.820 -0.516 0.000 2.287 826 A HA 0.775 5.095 4.320 0.001 0.000 0.317 826 A C -0.341 177.137 177.584 -0.178 0.000 1.220 826 A CA -0.486 51.248 52.037 -0.505 0.000 0.835 826 A CB 0.434 19.088 19.000 -0.575 0.000 1.180 826 A HN 0.821 nan 8.150 nan 0.000 0.500 827 I N 2.998 123.542 120.570 -0.043 0.000 2.206 827 I HA 0.397 4.567 4.170 0.001 0.000 0.292 827 I C 0.623 176.726 176.117 -0.023 0.000 1.156 827 I CA 0.336 61.638 61.300 0.003 0.000 1.356 827 I CB -0.118 37.918 38.000 0.061 0.000 1.494 827 I HN 0.701 nan 8.210 nan 0.000 0.601 828 A N 3.977 126.771 122.820 -0.042 0.000 2.530 828 A HA 0.714 5.034 4.320 0.001 0.000 0.288 828 A C -1.063 176.530 177.584 0.014 0.000 1.172 828 A CA -0.438 51.586 52.037 -0.022 0.000 0.733 828 A CB 1.476 20.454 19.000 -0.036 0.000 1.320 828 A HN 0.479 nan 8.150 nan 0.000 0.419 829 C N 0.015 119.345 119.300 0.051 0.000 2.365 829 C HA 0.794 5.254 4.460 0.001 0.000 0.351 829 C C 0.021 175.147 174.990 0.227 0.000 1.240 829 C CA 0.115 59.195 59.018 0.102 0.000 2.062 829 C CB 0.133 27.912 27.740 0.065 0.000 2.387 829 C HN 0.826 nan 8.230 nan 0.000 0.537 830 Y N 0.836 121.153 120.300 0.027 0.000 2.683 830 Y HA 0.197 4.747 4.550 0.001 0.000 0.205 830 Y C 2.128 178.059 175.900 0.051 0.000 2.341 830 Y CA 0.511 58.614 58.100 0.006 0.000 1.113 830 Y CB -0.395 38.065 38.460 0.000 0.000 1.652 830 Y HN 0.545 nan 8.280 nan 0.000 0.390 831 S N 0.431 116.155 115.700 0.041 0.000 2.462 831 S HA 0.041 4.512 4.470 0.001 0.000 0.243 831 S C 1.411 176.169 174.600 0.264 0.000 1.003 831 S CA 1.283 59.549 58.200 0.110 0.000 0.970 831 S CB -0.994 62.428 63.200 0.369 0.000 0.762 831 S HN 1.631 nan 8.310 nan 0.000 0.510 832 G N -0.209 108.735 108.800 0.240 0.000 2.165 832 G HA2 -0.260 3.701 3.960 0.001 0.000 0.226 832 G HA3 -0.260 3.701 3.960 0.001 0.000 0.226 832 G C -0.031 174.895 174.900 0.044 0.000 1.035 832 G CA 0.180 45.352 45.100 0.121 0.000 0.744 832 G HN 0.552 nan 8.290 nan 0.000 0.501 833 Y N 0.480 120.838 120.300 0.098 0.000 2.636 833 Y HA 0.268 4.818 4.550 0.001 0.000 0.260 833 Y C 1.495 177.421 175.900 0.044 0.000 1.177 833 Y CA 0.058 58.196 58.100 0.062 0.000 1.209 833 Y CB 0.591 39.086 38.460 0.058 0.000 1.166 833 Y HN 0.469 nan 8.280 nan 0.000 0.531 834 N N -1.330 117.457 118.700 0.146 0.000 2.241 834 N HA 0.069 4.809 4.740 0.001 0.000 0.238 834 N C -0.303 175.243 175.510 0.061 0.000 1.244 834 N CA -0.133 52.974 53.050 0.095 0.000 0.880 834 N CB -0.054 38.492 38.487 0.099 0.000 1.179 834 N HN 0.258 nan 8.380 nan 0.000 0.513 835 Q N 0.747 120.570 119.800 0.038 0.000 2.471 835 Q HA 0.151 4.492 4.340 0.001 0.000 0.223 835 Q C -0.244 175.758 176.000 0.004 0.000 1.045 835 Q CA -0.337 55.483 55.803 0.029 0.000 0.956 835 Q CB 0.474 29.209 28.738 -0.005 0.000 1.249 835 Q HN 0.162 nan 8.270 nan 0.000 0.549 836 E N 1.778 121.974 120.200 -0.005 0.000 2.199 836 E HA -0.298 4.053 4.350 0.001 0.000 0.208 836 E C -0.969 175.624 176.600 -0.011 0.000 1.310 836 E CA 0.934 57.321 56.400 -0.021 0.000 0.709 836 E CB -1.533 28.143 29.700 -0.041 0.000 1.127 836 E HN 0.734 nan 8.360 nan 0.000 0.354 837 D N -0.971 119.433 120.400 0.007 0.000 2.716 837 D HA -0.150 4.490 4.640 0.001 0.000 0.239 837 D C -0.488 175.818 176.300 0.010 0.000 1.125 837 D CA 1.557 55.562 54.000 0.010 0.000 0.681 837 D CB -1.244 39.554 40.800 -0.004 0.000 1.070 837 D HN 0.487 nan 8.370 nan 0.000 0.432 838 S N -1.006 114.703 115.700 0.015 0.000 2.546 838 S HA 0.813 5.284 4.470 0.001 0.000 0.274 838 S C -0.034 174.576 174.600 0.016 0.000 1.121 838 S CA -1.086 57.123 58.200 0.015 0.000 0.887 838 S CB 3.121 66.328 63.200 0.011 0.000 1.094 838 S HN 0.260 nan 8.310 nan 0.000 0.474 839 M N 1.143 120.741 119.600 -0.004 0.000 2.716 839 M HA 0.665 5.145 4.480 0.001 0.000 0.307 839 M C -1.409 174.869 176.300 -0.037 0.000 1.223 839 M CA -0.984 54.295 55.300 -0.034 0.000 0.871 839 M CB 1.244 33.775 32.600 -0.114 0.000 1.739 839 M HN 0.610 nan 8.290 nan 0.000 0.475 840 I N 1.818 122.370 120.570 -0.031 0.000 2.359 840 I HA 0.471 4.642 4.170 0.001 0.000 0.294 840 I C -0.610 175.453 176.117 -0.089 0.000 0.987 840 I CA -0.482 60.803 61.300 -0.026 0.000 1.225 840 I CB 1.860 39.924 38.000 0.107 0.000 1.366 840 I HN 0.732 nan 8.210 nan 0.000 0.466 841 M N 5.241 124.768 119.600 -0.123 0.000 2.436 841 M HA 0.349 4.830 4.480 0.001 0.000 0.331 841 M C -0.450 175.807 176.300 -0.071 0.000 1.135 841 M CA -0.665 54.548 55.300 -0.145 0.000 0.987 841 M CB 1.766 34.237 32.600 -0.214 0.000 1.687 841 M HN 0.479 nan 8.290 nan 0.000 0.445 842 N N 2.523 121.193 118.700 -0.050 0.000 2.438 842 N HA -0.027 4.713 4.740 0.001 0.000 0.267 842 N C 0.452 175.959 175.510 -0.005 0.000 1.222 842 N CA 0.248 53.300 53.050 0.004 0.000 0.930 842 N CB 0.934 39.421 38.487 -0.000 0.000 1.083 842 N HN 0.627 nan 8.380 nan 0.000 0.476 843 Q N 2.496 122.305 119.800 0.015 0.000 2.084 843 Q HA -0.089 4.252 4.340 0.001 0.000 0.202 843 Q C 1.302 177.307 176.000 0.008 0.000 0.978 843 Q CA 1.720 57.523 55.803 0.000 0.000 0.844 843 Q CB -0.293 28.450 28.738 0.008 0.000 0.898 843 Q HN 0.714 nan 8.270 nan 0.000 0.426 844 S N -0.030 115.685 115.700 0.025 0.000 2.365 844 S HA -0.199 4.272 4.470 0.001 0.000 0.225 844 S C 2.064 176.672 174.600 0.013 0.000 1.039 844 S CA 1.458 59.672 58.200 0.024 0.000 1.033 844 S CB -0.592 62.629 63.200 0.036 0.000 0.887 844 S HN 0.452 nan 8.310 nan 0.000 0.447 845 S N 1.498 117.202 115.700 0.007 0.000 2.382 845 S HA 0.018 4.489 4.470 0.001 0.000 0.228 845 S C 1.748 176.340 174.600 -0.014 0.000 1.027 845 S CA 0.936 59.133 58.200 -0.005 0.000 0.991 845 S CB -0.452 62.738 63.200 -0.018 0.000 0.823 845 S HN 0.430 nan 8.310 nan 0.000 0.469 846 I N 1.623 122.185 120.570 -0.014 0.000 2.454 846 I HA -0.208 3.962 4.170 0.001 0.000 0.254 846 I C 1.622 177.729 176.117 -0.018 0.000 1.156 846 I CA 1.159 62.449 61.300 -0.016 0.000 1.433 846 I CB -0.496 37.493 38.000 -0.018 0.000 1.082 846 I HN 0.209 nan 8.210 nan 0.000 0.432 847 D N 0.749 121.145 120.400 -0.007 0.000 2.137 847 D HA -0.077 4.563 4.640 0.001 0.000 0.202 847 D C 1.988 178.294 176.300 0.010 0.000 0.970 847 D CA 0.905 54.905 54.000 0.001 0.000 0.837 847 D CB -0.188 40.617 40.800 0.008 0.000 0.981 847 D HN 0.149 nan 8.370 nan 0.000 0.475 848 R N -0.211 120.297 120.500 0.013 0.000 2.366 848 R HA 0.194 4.534 4.340 0.001 0.000 0.201 848 R C 0.990 177.308 176.300 0.030 0.000 1.057 848 R CA 0.636 56.755 56.100 0.032 0.000 1.086 848 R CB -0.027 30.294 30.300 0.035 0.000 0.914 848 R HN 0.256 nan 8.270 nan 0.000 0.476 849 G N 0.392 109.183 108.800 -0.016 0.000 2.176 849 G HA2 -0.246 3.714 3.960 0.001 0.000 0.232 849 G HA3 -0.246 3.714 3.960 0.001 0.000 0.232 849 G C -0.058 174.757 174.900 -0.143 0.000 0.986 849 G CA -0.333 44.708 45.100 -0.097 0.000 0.643 849 G HN 0.240 nan 8.290 nan 0.000 0.522 850 L N 0.912 122.083 121.223 -0.087 0.000 2.578 850 L HA 0.541 4.881 4.340 0.001 0.000 0.279 850 L C 1.313 178.153 176.870 -0.051 0.000 1.227 850 L CA 0.793 55.559 54.840 -0.125 0.000 0.900 850 L CB -0.876 41.129 42.059 -0.089 0.000 1.144 850 L HN 0.637 nan 8.230 nan 0.000 0.496 851 F N 2.412 122.324 119.950 -0.063 0.000 3.106 851 F HA -0.342 4.186 4.527 0.001 0.000 0.281 851 F C 1.230 176.979 175.800 -0.085 0.000 0.869 851 F CA 0.785 58.770 58.000 -0.026 0.000 1.014 851 F CB -0.760 38.267 39.000 0.045 0.000 1.131 851 F HN 0.625 nan 8.300 nan 0.000 0.546 852 R N 0.471 120.918 120.500 -0.088 0.000 2.637 852 R HA 0.572 4.913 4.340 0.001 0.000 0.269 852 R C 0.450 176.494 176.300 -0.427 0.000 1.089 852 R CA 0.492 56.373 56.100 -0.364 0.000 1.177 852 R CB 1.323 31.174 30.300 -0.749 0.000 1.091 852 R HN 0.218 nan 8.270 nan 0.000 0.540 853 S N 0.523 115.911 115.700 -0.519 0.000 2.570 853 S HA 0.461 4.932 4.470 0.001 0.000 0.270 853 S C -0.738 173.736 174.600 -0.211 0.000 1.149 853 S CA -1.067 56.975 58.200 -0.263 0.000 0.837 853 S CB 1.138 64.289 63.200 -0.081 0.000 1.124 853 S HN 0.360 nan 8.310 nan 0.000 0.465 854 L N 1.589 122.832 121.223 0.034 0.000 2.399 854 L HA 0.710 5.050 4.340 0.001 0.000 0.265 854 L C -0.945 175.964 176.870 0.065 0.000 1.089 854 L CA -0.783 54.083 54.840 0.044 0.000 0.802 854 L CB 1.082 43.222 42.059 0.134 0.000 1.180 854 L HN 0.773 nan 8.230 nan 0.000 0.454 855 F N 1.776 121.564 119.950 -0.269 0.000 2.585 855 F HA 0.581 5.109 4.527 0.001 0.000 0.319 855 F C -1.335 174.267 175.800 -0.330 0.000 1.165 855 F CA -0.914 56.977 58.000 -0.181 0.000 0.949 855 F CB 1.184 40.091 39.000 -0.156 0.000 1.218 855 F HN 0.062 nan 8.300 nan 0.000 0.453 856 F N 4.827 124.302 119.950 -0.791 0.000 2.556 856 F HA 0.764 5.291 4.527 0.001 0.000 0.327 856 F C -0.190 175.053 175.800 -0.928 0.000 1.059 856 F CA -0.885 56.740 58.000 -0.624 0.000 0.953 856 F CB 2.027 40.871 39.000 -0.261 0.000 1.227 856 F HN 0.475 nan 8.300 nan 0.000 0.478 857 R N 0.301 120.593 120.500 -0.347 0.000 2.604 857 R HA 0.619 4.960 4.340 0.001 0.000 0.270 857 R C -2.061 174.166 176.300 -0.120 0.000 1.052 857 R CA -0.559 55.356 56.100 -0.309 0.000 0.902 857 R CB 1.961 32.072 30.300 -0.314 0.000 1.233 857 R HN 0.749 nan 8.270 nan 0.000 0.455 858 S N 3.158 118.759 115.700 -0.165 0.000 2.659 858 S HA 0.438 4.908 4.470 0.001 0.000 0.312 858 S C -1.232 173.299 174.600 -0.114 0.000 1.114 858 S CA -0.754 57.415 58.200 -0.052 0.000 1.063 858 S CB 0.677 63.866 63.200 -0.019 0.000 0.996 858 S HN 0.398 nan 8.310 nan 0.000 0.478 859 Y N 2.525 122.801 120.300 -0.039 0.000 2.310 859 Y HA 0.621 5.171 4.550 0.001 0.000 0.326 859 Y C 0.466 176.339 175.900 -0.044 0.000 1.151 859 Y CA -1.076 57.007 58.100 -0.029 0.000 1.195 859 Y CB 0.750 39.190 38.460 -0.033 0.000 1.210 859 Y HN 0.516 nan 8.280 nan 0.000 0.483 860 M N 2.479 122.151 119.600 0.120 0.000 2.716 860 M HA 0.524 5.005 4.480 0.001 0.000 0.307 860 M C -1.939 174.433 176.300 0.119 0.000 1.223 860 M CA -0.348 54.984 55.300 0.054 0.000 0.871 860 M CB 2.549 35.204 32.600 0.091 0.000 1.739 860 M HN 0.849 nan 8.290 nan 0.000 0.475 861 D N 0.926 121.406 120.400 0.133 0.000 2.720 861 D HA 0.351 4.991 4.640 0.001 0.000 0.239 861 D C -1.886 174.683 176.300 0.447 0.000 1.218 861 D CA -0.107 54.063 54.000 0.282 0.000 0.748 861 D CB 1.940 42.925 40.800 0.308 0.000 1.387 861 D HN 0.709 nan 8.370 nan 0.000 0.438 862 Q N 0.386 120.414 119.800 0.379 0.000 2.552 862 Q HA 0.459 4.799 4.340 0.001 0.000 0.289 862 Q C -0.944 175.048 176.000 -0.012 0.000 1.097 862 Q CA -0.792 55.196 55.803 0.308 0.000 0.812 862 Q CB 2.394 31.278 28.738 0.243 0.000 1.460 862 Q HN 0.262 nan 8.270 nan 0.000 0.452 863 E N 1.405 121.533 120.200 -0.119 0.000 2.121 863 E HA 0.175 4.525 4.350 0.001 0.000 0.255 863 E C -1.266 175.261 176.600 -0.121 0.000 0.906 863 E CA -0.281 55.955 56.400 -0.274 0.000 0.745 863 E CB 0.887 30.345 29.700 -0.404 0.000 1.155 863 E HN 0.193 nan 8.360 nan 0.000 0.424 864 K N 2.459 122.813 120.400 -0.077 0.000 2.484 864 K HA 0.041 4.361 4.320 0.001 0.000 0.280 864 K C 0.231 176.793 176.600 -0.063 0.000 1.013 864 K CA 0.243 56.534 56.287 0.007 0.000 1.029 864 K CB 0.534 33.106 32.500 0.120 0.000 0.902 864 K HN 0.026 nan 8.250 nan 0.000 0.481 865 K N 2.145 122.576 120.400 0.052 0.000 2.123 865 K HA 0.334 4.655 4.320 0.001 0.000 0.248 865 K C -1.099 175.715 176.600 0.358 0.000 0.969 865 K CA -0.668 55.648 56.287 0.048 0.000 0.882 865 K CB 0.996 33.525 32.500 0.049 0.000 1.080 865 K HN 0.381 nan 8.250 nan 0.000 0.441 866 Y N 0.399 120.699 120.300 -0.001 0.000 2.426 866 Y HA 0.194 4.745 4.550 0.001 0.000 0.325 866 Y C 1.367 177.270 175.900 0.006 0.000 0.989 866 Y CA -1.191 56.911 58.100 0.003 0.000 1.284 866 Y CB 0.968 39.429 38.460 0.002 0.000 1.104 866 Y HN 0.881 nan 8.280 nan 0.000 0.481 867 G N 3.090 111.977 108.800 0.145 0.000 2.985 867 G HA2 -0.383 3.577 3.960 0.001 0.000 0.304 867 G HA3 -0.383 3.577 3.960 0.001 0.000 0.304 867 G C 0.823 175.767 174.900 0.074 0.000 1.164 867 G CA 1.399 46.549 45.100 0.083 0.000 0.988 867 G HN 0.469 nan 8.290 nan 0.000 0.737 868 M N 1.581 121.229 119.600 0.079 0.000 3.654 868 M HA 0.485 4.965 4.480 0.001 0.000 0.212 868 M C 0.672 177.014 176.300 0.070 0.000 1.354 868 M CA -0.350 54.988 55.300 0.062 0.000 1.564 868 M CB 0.185 32.815 32.600 0.051 0.000 1.056 868 M HN 0.145 nan 8.290 nan 0.000 0.608 869 S N 1.591 117.327 115.700 0.061 0.000 4.026 869 S HA -0.142 4.329 4.470 0.001 0.000 0.305 869 S C -0.413 174.202 174.600 0.025 0.000 0.787 869 S CA 0.535 58.757 58.200 0.036 0.000 1.314 869 S CB -0.989 62.223 63.200 0.019 0.000 1.849 869 S HN 0.528 nan 8.310 nan 0.000 0.444 870 I N 2.532 123.094 120.570 -0.013 0.000 2.710 870 I HA 0.505 4.675 4.170 0.001 0.000 0.290 870 I C 0.023 175.929 176.117 -0.353 0.000 1.318 870 I CA -0.228 61.000 61.300 -0.120 0.000 1.045 870 I CB 2.530 40.527 38.000 -0.004 0.000 1.307 870 I HN 0.413 nan 8.210 nan 0.000 0.424 871 T N 2.663 117.010 114.554 -0.345 0.000 2.812 871 T HA 0.560 4.910 4.350 0.001 0.000 0.294 871 T C -0.552 173.946 174.700 -0.335 0.000 1.159 871 T CA -0.915 60.961 62.100 -0.373 0.000 1.008 871 T CB 2.066 70.810 68.868 -0.206 0.000 1.289 871 T HN 0.500 nan 8.240 nan 0.000 0.514 872 E N 0.221 120.243 120.200 -0.296 0.000 2.700 872 E HA 0.701 5.051 4.350 0.001 0.000 0.253 872 E C -0.754 175.720 176.600 -0.210 0.000 1.175 872 E CA -0.802 55.458 56.400 -0.234 0.000 1.010 872 E CB 0.918 30.478 29.700 -0.234 0.000 1.284 872 E HN 0.394 nan 8.360 nan 0.000 0.557 873 T N 0.421 114.868 114.554 -0.179 0.000 2.956 873 T HA 0.316 4.666 4.350 0.001 0.000 0.312 873 T C -1.209 173.471 174.700 -0.033 0.000 1.151 873 T CA -0.619 61.411 62.100 -0.116 0.000 1.024 873 T CB 0.532 69.380 68.868 -0.032 0.000 1.140 873 T HN 0.279 nan 8.240 nan 0.000 0.473 874 F N 3.557 123.516 119.950 0.015 0.000 2.359 874 F HA 0.350 4.878 4.527 0.001 0.000 0.355 874 F C 1.008 176.821 175.800 0.022 0.000 1.132 874 F CA -0.661 57.352 58.000 0.021 0.000 1.246 874 F CB 0.339 39.349 39.000 0.016 0.000 1.569 874 F HN 0.592 nan 8.300 nan 0.000 0.561 875 E N 1.297 121.627 120.200 0.217 0.000 2.456 875 E HA 0.339 4.689 4.350 0.001 0.000 0.276 875 E C -1.386 175.290 176.600 0.128 0.000 0.981 875 E CA -1.397 55.081 56.400 0.131 0.000 0.814 875 E CB 1.811 31.561 29.700 0.084 0.000 1.382 875 E HN 0.176 nan 8.360 nan 0.000 0.459 876 K N 2.172 122.629 120.400 0.095 0.000 2.296 876 K HA 0.298 4.619 4.320 0.001 0.000 0.257 876 K C -2.138 174.478 176.600 0.028 0.000 1.088 876 K CA -1.956 54.397 56.287 0.110 0.000 0.980 876 K CB 0.637 33.198 32.500 0.102 0.000 1.430 876 K HN 0.380 nan 8.250 nan 0.000 0.441 877 P HA 0.077 nan 4.420 nan 0.000 0.282 877 P C -1.394 175.791 177.300 -0.192 0.000 1.286 877 P CA -0.243 62.798 63.100 -0.098 0.000 0.777 877 P CB 0.674 32.315 31.700 -0.099 0.000 1.184 878 Q N -1.881 117.822 119.800 -0.161 0.000 2.468 878 Q HA 0.352 4.692 4.340 0.001 0.000 0.263 878 Q C 0.206 176.142 176.000 -0.108 0.000 0.979 878 Q CA -0.913 54.796 55.803 -0.157 0.000 0.932 878 Q CB 0.810 29.489 28.738 -0.099 0.000 1.462 878 Q HN 0.143 nan 8.270 nan 0.000 0.403 879 R N 0.487 120.926 120.500 -0.102 0.000 3.440 879 R HA -0.252 4.088 4.340 0.001 0.000 0.591 879 R C -0.217 176.055 176.300 -0.048 0.000 0.249 879 R CA 2.095 58.158 56.100 -0.062 0.000 1.105 879 R CB -2.470 27.804 30.300 -0.044 0.000 0.666 879 R HN 1.222 nan 8.270 nan 0.000 0.426 880 T N 1.595 116.128 114.554 -0.035 0.000 3.247 880 T HA -0.195 4.155 4.350 0.001 0.000 0.434 880 T C 0.610 175.300 174.700 -0.017 0.000 0.770 880 T CA 1.198 63.283 62.100 -0.025 0.000 2.236 880 T CB -0.847 68.005 68.868 -0.027 0.000 1.678 880 T HN 0.568 nan 8.240 nan 0.000 0.645 881 N N -0.502 118.190 118.700 -0.012 0.000 3.988 881 N HA -0.245 4.495 4.740 0.001 0.000 0.229 881 N C 1.521 177.029 175.510 -0.004 0.000 0.276 881 N CA 2.301 55.348 53.050 -0.006 0.000 2.813 881 N CB -1.828 36.658 38.487 -0.002 0.000 1.426 881 N HN 0.545 nan 8.380 nan 0.000 0.322 882 T N 1.251 115.804 114.554 -0.003 0.000 2.572 882 T HA -0.228 4.122 4.350 0.001 0.000 0.258 882 T C 1.546 176.248 174.700 0.003 0.000 1.154 882 T CA 3.059 65.160 62.100 0.002 0.000 1.157 882 T CB -0.427 68.443 68.868 0.002 0.000 0.856 882 T HN 0.468 nan 8.240 nan 0.000 0.443 883 L N -2.093 119.126 121.223 -0.007 0.000 5.198 883 L HA -0.207 4.134 4.340 0.001 0.000 0.414 883 L C 0.455 177.332 176.870 0.012 0.000 0.922 883 L CA 0.757 55.595 54.840 -0.003 0.000 1.585 883 L CB -1.198 40.865 42.059 0.006 0.000 1.671 883 L HN 0.248 nan 8.230 nan 0.000 0.621 884 R N 1.269 121.780 120.500 0.017 0.000 3.572 884 R HA 0.166 4.506 4.340 0.001 0.000 0.186 884 R C 0.618 176.945 176.300 0.045 0.000 1.727 884 R CA 0.413 56.534 56.100 0.035 0.000 1.267 884 R CB -0.077 30.244 30.300 0.035 0.000 1.318 884 R HN 0.338 nan 8.270 nan 0.000 0.718 885 M N 0.587 120.220 119.600 0.055 0.000 2.318 885 M HA 0.387 4.868 4.480 0.001 0.000 0.213 885 M C 0.255 176.672 176.300 0.194 0.000 0.872 885 M CA 0.142 55.492 55.300 0.084 0.000 1.879 885 M CB 0.005 32.606 32.600 0.003 0.000 1.114 885 M HN -0.001 nan 8.290 nan 0.000 0.908 886 K N -0.549 120.017 120.400 0.277 0.000 2.587 886 K HA 0.267 4.588 4.320 0.001 0.000 0.276 886 K C 0.500 177.280 176.600 0.301 0.000 0.956 886 K CA -0.413 56.029 56.287 0.259 0.000 0.857 886 K CB 1.327 33.970 32.500 0.239 0.000 1.431 886 K HN 0.511 nan 8.250 nan 0.000 0.420 887 H N 0.930 120.052 119.070 0.086 0.000 2.321 887 H HA -0.064 4.493 4.556 0.001 0.000 0.300 887 H C 1.108 176.477 175.328 0.069 0.000 1.087 887 H CA 1.174 57.261 56.048 0.065 0.000 1.319 887 H CB 0.336 30.120 29.762 0.036 0.000 1.379 887 H HN 0.733 nan 8.280 nan 0.000 0.501 888 G N 0.389 109.291 108.800 0.170 0.000 2.690 888 G HA2 -0.034 3.926 3.960 0.001 0.000 0.239 888 G HA3 -0.034 3.926 3.960 0.001 0.000 0.239 888 G C -0.244 174.696 174.900 0.067 0.000 1.233 888 G CA -0.282 44.857 45.100 0.066 0.000 0.847 888 G HN 0.152 nan 8.290 nan 0.000 0.588 889 T N 0.376 114.944 114.554 0.022 0.000 2.919 889 T HA 0.137 4.487 4.350 0.001 0.000 0.302 889 T C 0.361 175.060 174.700 -0.002 0.000 1.031 889 T CA 0.459 62.593 62.100 0.056 0.000 1.127 889 T CB 0.797 69.679 68.868 0.022 0.000 0.952 889 T HN 0.440 nan 8.240 nan 0.000 0.540 890 Y N 0.216 120.511 120.300 -0.008 0.000 2.498 890 Y HA 0.087 4.638 4.550 0.001 0.000 0.259 890 Y C 2.175 178.066 175.900 -0.015 0.000 1.086 890 Y CA -0.130 57.964 58.100 -0.010 0.000 1.287 890 Y CB 0.219 38.678 38.460 -0.002 0.000 1.146 890 Y HN 0.618 nan 8.280 nan 0.000 0.523 891 D N 0.863 121.340 120.400 0.129 0.000 2.191 891 D HA -0.226 4.414 4.640 0.001 0.000 0.195 891 D C 1.261 177.578 176.300 0.028 0.000 1.003 891 D CA 1.476 55.516 54.000 0.066 0.000 0.867 891 D CB -0.180 40.645 40.800 0.043 0.000 0.926 891 D HN 0.363 nan 8.370 nan 0.000 0.450 892 K N 0.047 120.447 120.400 -0.001 0.000 2.616 892 K HA 0.024 4.344 4.320 0.001 0.000 0.192 892 K C 0.596 177.180 176.600 -0.027 0.000 1.031 892 K CA 0.017 56.290 56.287 -0.024 0.000 1.004 892 K CB 0.080 32.550 32.500 -0.049 0.000 0.810 892 K HN 0.177 nan 8.250 nan 0.000 0.497 893 L N 1.619 122.841 121.223 -0.002 0.000 2.276 893 L HA 0.099 4.439 4.340 0.001 0.000 0.286 893 L C 0.135 177.012 176.870 0.013 0.000 1.061 893 L CA -0.533 54.309 54.840 0.004 0.000 0.807 893 L CB 1.033 43.124 42.059 0.053 0.000 1.177 893 L HN 0.022 nan 8.230 nan 0.000 0.429 894 D N 1.035 121.432 120.400 -0.005 0.000 2.376 894 D HA 0.031 4.671 4.640 0.001 0.000 0.268 894 D C 0.407 176.714 176.300 0.012 0.000 1.252 894 D CA -0.105 53.894 54.000 -0.002 0.000 1.041 894 D CB 0.635 41.426 40.800 -0.016 0.000 1.109 894 D HN 0.449 nan 8.370 nan 0.000 0.552 895 D N -1.003 119.405 120.400 0.012 0.000 2.333 895 D HA -0.042 4.599 4.640 0.001 0.000 0.208 895 D C 0.662 176.981 176.300 0.032 0.000 0.984 895 D CA 0.376 54.390 54.000 0.024 0.000 0.873 895 D CB 0.028 40.840 40.800 0.020 0.000 0.935 895 D HN 0.330 nan 8.370 nan 0.000 0.521 896 D N -0.389 120.020 120.400 0.015 0.000 2.349 896 D HA 0.059 4.699 4.640 0.001 0.000 0.224 896 D C 1.324 177.631 176.300 0.013 0.000 1.029 896 D CA 0.467 54.479 54.000 0.021 0.000 0.879 896 D CB -0.429 40.365 40.800 -0.009 0.000 0.906 896 D HN 0.137 nan 8.370 nan 0.000 0.528 897 G N 0.103 108.914 108.800 0.017 0.000 2.182 897 G HA2 -0.218 3.742 3.960 0.001 0.000 0.248 897 G HA3 -0.218 3.742 3.960 0.001 0.000 0.248 897 G C -0.134 174.715 174.900 -0.084 0.000 1.042 897 G CA 0.500 45.613 45.100 0.021 0.000 0.775 897 G HN 0.428 nan 8.290 nan 0.000 0.501 898 L N -1.568 119.599 121.223 -0.093 0.000 2.251 898 L HA 0.752 5.092 4.340 0.001 0.000 0.244 898 L C 0.394 177.208 176.870 -0.094 0.000 1.095 898 L CA -1.477 53.282 54.840 -0.136 0.000 0.910 898 L CB 1.692 43.648 42.059 -0.172 0.000 1.516 898 L HN 0.006 nan 8.230 nan 0.000 0.429 899 I N 0.382 120.890 120.570 -0.103 0.000 2.603 899 I HA 0.501 4.671 4.170 0.001 0.000 0.300 899 I C -0.002 176.076 176.117 -0.065 0.000 1.017 899 I CA -0.706 60.546 61.300 -0.080 0.000 1.098 899 I CB 2.164 40.108 38.000 -0.093 0.000 1.279 899 I HN 0.639 nan 8.210 nan 0.000 0.437 900 A N 6.360 129.151 122.820 -0.048 0.000 2.401 900 A HA 0.384 4.704 4.320 0.001 0.000 0.259 900 A C -1.899 175.665 177.584 -0.033 0.000 1.103 900 A CA -1.206 50.809 52.037 -0.037 0.000 0.789 900 A CB -0.039 18.945 19.000 -0.027 0.000 1.035 900 A HN 0.542 nan 8.150 nan 0.000 0.491 901 P HA -0.134 nan 4.420 nan 0.000 0.225 901 P C 1.296 178.590 177.300 -0.010 0.000 1.141 901 P CA 1.824 64.914 63.100 -0.015 0.000 0.774 901 P CB 0.257 31.952 31.700 -0.007 0.000 0.760 902 G N -1.523 107.269 108.800 -0.013 0.000 2.656 902 G HA2 0.016 3.976 3.960 0.001 0.000 0.211 902 G HA3 0.016 3.976 3.960 0.001 0.000 0.211 902 G C 0.300 175.191 174.900 -0.015 0.000 1.137 902 G CA -0.053 45.041 45.100 -0.010 0.000 0.802 902 G HN 0.086 nan 8.290 nan 0.000 0.527 903 V N 0.977 120.878 119.914 -0.022 0.000 2.720 903 V HA 0.081 4.202 4.120 0.001 0.000 0.307 903 V C 0.727 176.803 176.094 -0.029 0.000 1.071 903 V CA 0.060 62.344 62.300 -0.027 0.000 1.199 903 V CB 0.648 32.450 31.823 -0.035 0.000 0.900 903 V HN 0.311 nan 8.190 nan 0.000 0.494 904 R N 3.172 123.656 120.500 -0.027 0.000 2.265 904 R HA 0.602 4.943 4.340 0.001 0.000 0.319 904 R C -0.554 175.725 176.300 -0.035 0.000 1.006 904 R CA -0.427 55.657 56.100 -0.027 0.000 0.880 904 R CB 1.343 31.631 30.300 -0.019 0.000 1.077 904 R HN 0.757 nan 8.270 nan 0.000 0.454 905 V N 0.855 120.745 119.914 -0.040 0.000 3.103 905 V HA 0.812 4.932 4.120 0.001 0.000 0.318 905 V C -0.057 176.015 176.094 -0.037 0.000 1.114 905 V CA -0.223 62.046 62.300 -0.052 0.000 1.020 905 V CB 1.850 33.626 31.823 -0.080 0.000 1.085 905 V HN 1.002 nan 8.190 nan 0.000 0.446 906 S N 0.523 116.200 115.700 -0.039 0.000 4.209 906 S HA 0.603 5.073 4.470 0.001 0.000 0.225 906 S C 1.425 176.012 174.600 -0.021 0.000 1.128 906 S CA 0.249 58.436 58.200 -0.023 0.000 1.240 906 S CB 0.227 63.417 63.200 -0.017 0.000 1.892 906 S HN 1.895 nan 8.310 nan 0.000 0.639 907 G N 1.358 110.150 108.800 -0.014 0.000 3.847 907 G HA2 -0.205 3.756 3.960 0.001 0.000 0.224 907 G HA3 -0.205 3.756 3.960 0.001 0.000 0.224 907 G C 0.309 175.201 174.900 -0.014 0.000 0.934 907 G CA 1.407 46.502 45.100 -0.007 0.000 0.728 907 G HN 0.794 nan 8.290 nan 0.000 1.367 908 E N 0.978 121.168 120.200 -0.017 0.000 2.815 908 E HA 0.195 4.545 4.350 0.001 0.000 0.211 908 E C -0.821 175.736 176.600 -0.073 0.000 1.004 908 E CA -0.321 56.059 56.400 -0.032 0.000 1.173 908 E CB 0.198 29.895 29.700 -0.005 0.000 1.163 908 E HN 0.459 nan 8.360 nan 0.000 0.449 909 D N 0.476 120.823 120.400 -0.088 0.000 2.419 909 D HA -0.032 4.609 4.640 0.001 0.000 0.236 909 D C -0.072 176.102 176.300 -0.211 0.000 1.165 909 D CA 0.252 54.175 54.000 -0.129 0.000 0.882 909 D CB 0.978 41.713 40.800 -0.108 0.000 1.201 909 D HN -0.137 nan 8.370 nan 0.000 0.443 910 V N 2.526 122.256 119.914 -0.307 0.000 2.461 910 V HA 0.113 4.233 4.120 0.001 0.000 0.275 910 V C 1.227 177.138 176.094 -0.306 0.000 1.047 910 V CA -0.161 61.897 62.300 -0.402 0.000 0.955 910 V CB 1.055 32.404 31.823 -0.790 0.000 0.988 910 V HN 0.531 nan 8.190 nan 0.000 0.471 911 I N 4.151 124.542 120.570 -0.298 0.000 3.265 911 I HA 0.254 4.424 4.170 0.001 0.000 0.282 911 I C 0.386 176.371 176.117 -0.220 0.000 1.207 911 I CA 0.909 62.041 61.300 -0.280 0.000 1.449 911 I CB 0.420 38.169 38.000 -0.418 0.000 1.121 911 I HN 0.448 nan 8.210 nan 0.000 0.442 912 I N -0.073 120.386 120.570 -0.185 0.000 2.769 912 I HA 0.431 4.601 4.170 0.001 0.000 0.298 912 I C -0.243 175.866 176.117 -0.013 0.000 1.128 912 I CA -0.690 60.543 61.300 -0.113 0.000 1.031 912 I CB 2.215 40.166 38.000 -0.083 0.000 1.235 912 I HN -0.126 nan 8.210 nan 0.000 0.423 913 G N 4.160 113.003 108.800 0.072 0.000 2.487 913 G HA2 0.638 4.598 3.960 0.001 0.000 0.314 913 G HA3 0.638 4.598 3.960 0.001 0.000 0.314 913 G C -1.220 173.862 174.900 0.305 0.000 1.267 913 G CA -0.349 44.871 45.100 0.200 0.000 0.937 913 G HN 0.603 nan 8.290 nan 0.000 0.481 914 K N 0.767 121.324 120.400 0.262 0.000 2.556 914 K HA 0.769 5.089 4.320 0.001 0.000 0.274 914 K C -1.054 175.617 176.600 0.118 0.000 0.966 914 K CA -0.662 55.753 56.287 0.215 0.000 0.865 914 K CB 2.298 34.935 32.500 0.228 0.000 1.444 914 K HN 0.652 nan 8.250 nan 0.000 0.433 915 T N -1.055 113.525 114.554 0.043 0.000 2.853 915 T HA 0.458 4.808 4.350 0.001 0.000 0.311 915 T C -1.057 173.633 174.700 -0.017 0.000 1.307 915 T CA -0.762 61.353 62.100 0.025 0.000 1.019 915 T CB 1.739 70.619 68.868 0.020 0.000 1.264 915 T HN 0.373 nan 8.240 nan 0.000 0.497 916 T N 3.654 118.207 114.554 -0.001 0.000 2.848 916 T HA 0.673 5.023 4.350 0.001 0.000 0.285 916 T C -2.887 171.814 174.700 0.002 0.000 0.995 916 T CA -1.238 60.853 62.100 -0.015 0.000 0.970 916 T CB 1.946 70.838 68.868 0.039 0.000 0.976 916 T HN 0.588 nan 8.240 nan 0.000 0.441 917 P HA 0.640 nan 4.420 nan 0.000 0.297 917 P C -1.100 176.233 177.300 0.055 0.000 1.319 917 P CA -0.497 62.605 63.100 0.003 0.000 0.810 917 P CB 1.005 32.687 31.700 -0.029 0.000 0.947 918 I N 2.010 122.615 120.570 0.059 0.000 2.649 918 I HA 0.179 4.349 4.170 0.001 0.000 0.289 918 I C 0.247 176.395 176.117 0.051 0.000 1.222 918 I CA -0.380 60.967 61.300 0.079 0.000 1.046 918 I CB 2.492 40.549 38.000 0.095 0.000 1.272 918 I HN 0.380 nan 8.210 nan 0.000 0.425 934 K N 3.286 123.687 120.400 0.000 0.000 2.526 934 K HA 0.316 4.636 4.320 0.001 0.000 0.214 934 K C -0.364 176.240 176.600 0.008 0.000 1.088 934 K CA -0.397 55.890 56.287 -0.000 0.000 1.058 934 K CB 0.739 33.232 32.500 -0.013 0.000 1.653 934 K HN 0.509 nan 8.250 nan 0.000 0.521 935 R N 0.931 121.443 120.500 0.020 0.000 2.316 935 R HA 0.127 4.467 4.340 0.001 0.000 0.314 935 R C -0.145 176.179 176.300 0.041 0.000 1.069 935 R CA -0.590 55.528 56.100 0.031 0.000 0.959 935 R CB 0.591 30.915 30.300 0.040 0.000 0.987 935 R HN 0.213 nan 8.270 nan 0.000 0.446 936 D N 2.491 122.922 120.400 0.051 0.000 2.346 936 D HA 0.005 4.646 4.640 0.001 0.000 0.236 936 D C -0.083 176.269 176.300 0.087 0.000 1.259 936 D CA 1.022 55.070 54.000 0.080 0.000 0.898 936 D CB 0.922 41.786 40.800 0.108 0.000 1.178 936 D HN 0.763 nan 8.370 nan 0.000 0.457 937 A N 1.010 123.896 122.820 0.110 0.000 2.556 937 A HA 0.158 4.479 4.320 0.001 0.000 0.208 937 A C -0.121 177.541 177.584 0.129 0.000 1.156 937 A CA -0.367 51.732 52.037 0.104 0.000 1.290 937 A CB -0.284 18.764 19.000 0.081 0.000 1.169 937 A HN 0.255 nan 8.150 nan 0.000 0.468 938 S N 0.948 116.733 115.700 0.143 0.000 2.601 938 S HA 0.543 5.013 4.470 0.001 0.000 0.271 938 S C 0.224 174.855 174.600 0.052 0.000 1.305 938 S CA 0.119 58.390 58.200 0.119 0.000 1.022 938 S CB 1.044 64.336 63.200 0.155 0.000 0.940 938 S HN 0.406 nan 8.310 nan 0.000 0.525 939 T N 5.185 119.742 114.554 0.005 0.000 2.756 939 T HA 0.483 4.833 4.350 0.001 0.000 0.290 939 T C -2.503 172.115 174.700 -0.136 0.000 0.985 939 T CA -1.194 60.894 62.100 -0.021 0.000 0.955 939 T CB 1.315 70.194 68.868 0.018 0.000 0.930 939 T HN 0.396 nan 8.240 nan 0.000 0.451 940 P HA 0.426 nan 4.420 nan 0.000 0.287 940 P C -0.565 176.613 177.300 -0.203 0.000 1.279 940 P CA -0.989 62.002 63.100 -0.182 0.000 0.867 940 P CB 1.243 32.874 31.700 -0.115 0.000 1.127 941 L N 2.467 123.541 121.223 -0.249 0.000 2.490 941 L HA 0.122 4.462 4.340 0.001 0.000 0.274 941 L C 0.905 177.797 176.870 0.036 0.000 1.201 941 L CA 0.126 54.840 54.840 -0.210 0.000 0.869 941 L CB -0.268 41.699 42.059 -0.154 0.000 1.123 941 L HN 0.294 nan 8.230 nan 0.000 0.484 942 R N 3.342 123.991 120.500 0.249 0.000 2.526 942 R HA -0.108 4.232 4.340 0.001 0.000 0.319 942 R C 1.610 177.955 176.300 0.075 0.000 0.888 942 R CA 0.669 56.872 56.100 0.172 0.000 1.127 942 R CB 0.058 30.461 30.300 0.172 0.000 0.888 942 R HN 1.006 nan 8.270 nan 0.000 0.410 943 S N 1.952 117.674 115.700 0.037 0.000 2.409 943 S HA -0.273 4.198 4.470 0.001 0.000 0.237 943 S C 1.621 176.226 174.600 0.008 0.000 1.060 943 S CA 2.207 60.415 58.200 0.013 0.000 1.052 943 S CB -0.378 62.823 63.200 0.001 0.000 0.871 943 S HN 0.683 nan 8.310 nan 0.000 0.465 944 T N 2.539 117.094 114.554 0.002 0.000 2.737 944 T HA -0.002 4.348 4.350 0.001 0.000 0.265 944 T C 0.973 175.672 174.700 -0.002 0.000 1.038 944 T CA 1.169 63.262 62.100 -0.012 0.000 1.144 944 T CB -0.380 68.467 68.868 -0.035 0.000 0.866 944 T HN 0.682 nan 8.240 nan 0.000 0.434 945 E N 2.532 122.746 120.200 0.023 0.000 2.585 945 E HA 0.324 4.675 4.350 0.001 0.000 0.256 945 E C 0.179 176.803 176.600 0.041 0.000 1.383 945 E CA -0.372 56.056 56.400 0.046 0.000 1.029 945 E CB 0.230 30.001 29.700 0.117 0.000 1.044 945 E HN 0.490 nan 8.360 nan 0.000 0.595 946 N N -1.499 117.232 118.700 0.051 0.000 3.836 946 N HA 0.342 5.082 4.740 0.001 0.000 0.229 946 N C -0.590 174.938 175.510 0.030 0.000 1.375 946 N CA 0.008 53.073 53.050 0.026 0.000 0.838 946 N CB 0.985 39.475 38.487 0.005 0.000 1.447 946 N HN 0.676 nan 8.380 nan 0.000 0.458 947 G N -0.357 108.446 108.800 0.006 0.000 2.491 947 G HA2 0.288 4.248 3.960 0.001 0.000 0.183 947 G HA3 0.288 4.248 3.960 0.001 0.000 0.183 947 G C -1.918 172.971 174.900 -0.018 0.000 1.221 947 G CA -0.351 44.746 45.100 -0.004 0.000 0.996 947 G HN 0.673 nan 8.290 nan 0.000 0.474 948 I N 1.010 121.563 120.570 -0.028 0.000 2.533 948 I HA 0.428 4.598 4.170 0.001 0.000 0.290 948 I C 0.372 176.474 176.117 -0.025 0.000 1.056 948 I CA -1.129 60.155 61.300 -0.027 0.000 1.057 948 I CB 2.097 40.083 38.000 -0.022 0.000 1.240 948 I HN 0.353 nan 8.210 nan 0.000 0.423 949 V N 4.286 124.184 119.914 -0.026 0.000 2.788 949 V HA -0.089 4.032 4.120 0.001 0.000 0.307 949 V C 0.493 176.589 176.094 0.003 0.000 1.069 949 V CA 0.764 63.052 62.300 -0.020 0.000 1.173 949 V CB 0.879 32.680 31.823 -0.037 0.000 0.925 949 V HN 0.927 nan 8.190 nan 0.000 0.492 950 D N 1.171 121.589 120.400 0.031 0.000 2.753 950 D HA 0.132 4.772 4.640 0.001 0.000 0.291 950 D C 0.539 176.878 176.300 0.064 0.000 1.075 950 D CA 0.163 54.205 54.000 0.070 0.000 0.946 950 D CB 0.616 41.507 40.800 0.152 0.000 1.376 950 D HN 0.653 nan 8.370 nan 0.000 0.482 951 Q N 0.948 120.779 119.800 0.051 0.000 2.371 951 Q HA 0.367 4.707 4.340 0.001 0.000 0.244 951 Q C -2.078 173.918 176.000 -0.006 0.000 0.882 951 Q CA -0.543 55.274 55.803 0.023 0.000 0.866 951 Q CB 1.701 30.460 28.738 0.035 0.000 1.399 951 Q HN -0.050 nan 8.270 nan 0.000 0.432 952 V N 4.943 124.838 119.914 -0.032 0.000 2.481 952 V HA 0.552 4.672 4.120 0.001 0.000 0.286 952 V C -0.201 175.850 176.094 -0.072 0.000 1.042 952 V CA -0.615 61.645 62.300 -0.067 0.000 0.928 952 V CB 1.537 33.308 31.823 -0.087 0.000 0.986 952 V HN 0.771 nan 8.190 nan 0.000 0.462 953 L N 5.677 126.840 121.223 -0.100 0.000 2.410 953 L HA 0.798 5.139 4.340 0.001 0.000 0.270 953 L C -1.220 175.580 176.870 -0.116 0.000 0.983 953 L CA -0.409 54.379 54.840 -0.086 0.000 0.822 953 L CB 2.040 44.058 42.059 -0.069 0.000 1.285 953 L HN 0.434 nan 8.230 nan 0.000 0.409 954 V N 3.806 123.680 119.914 -0.068 0.000 2.513 954 V HA 0.804 4.924 4.120 0.001 0.000 0.299 954 V C 0.014 176.124 176.094 0.027 0.000 1.035 954 V CA -0.105 62.168 62.300 -0.044 0.000 0.889 954 V CB 1.682 33.487 31.823 -0.029 0.000 0.988 954 V HN 1.002 nan 8.190 nan 0.000 0.440 955 T N 1.625 116.234 114.554 0.092 0.000 2.653 955 T HA 0.408 4.759 4.350 0.001 0.000 0.306 955 T C -0.853 173.985 174.700 0.229 0.000 1.426 955 T CA -0.475 61.720 62.100 0.158 0.000 1.008 955 T CB 2.080 71.069 68.868 0.202 0.000 1.692 955 T HN 0.617 nan 8.240 nan 0.000 0.483 956 T N 1.602 116.282 114.554 0.210 0.000 2.893 956 T HA 0.660 5.010 4.350 0.001 0.000 0.291 956 T C -0.786 174.002 174.700 0.147 0.000 1.028 956 T CA -0.603 61.608 62.100 0.184 0.000 0.995 956 T CB 1.463 70.401 68.868 0.116 0.000 1.051 956 T HN 0.588 nan 8.240 nan 0.000 0.470 957 N N 1.251 120.002 118.700 0.085 0.000 2.472 957 N HA 0.277 5.017 4.740 0.001 0.000 0.289 957 N C 1.427 176.936 175.510 -0.001 0.000 1.156 957 N CA -0.382 52.651 53.050 -0.028 0.000 0.940 957 N CB 0.924 39.317 38.487 -0.156 0.000 1.200 957 N HN 0.487 nan 8.380 nan 0.000 0.511 958 Q N 0.331 120.123 119.800 -0.012 0.000 2.160 958 Q HA -0.257 4.083 4.340 0.001 0.000 0.219 958 Q C -0.298 175.713 176.000 0.018 0.000 1.051 958 Q CA 2.196 58.005 55.803 0.010 0.000 0.929 958 Q CB -0.597 28.144 28.738 0.004 0.000 1.059 958 Q HN 0.737 nan 8.270 nan 0.000 0.428 959 D N -0.267 120.140 120.400 0.012 0.000 2.644 959 D HA 0.140 4.781 4.640 0.001 0.000 0.252 959 D C 0.892 177.207 176.300 0.025 0.000 1.254 959 D CA 0.830 54.842 54.000 0.020 0.000 0.884 959 D CB -0.724 40.087 40.800 0.019 0.000 1.034 959 D HN 0.507 nan 8.370 nan 0.000 0.473 960 G N 0.830 109.649 108.800 0.032 0.000 2.309 960 G HA2 -0.333 3.627 3.960 0.001 0.000 0.286 960 G HA3 -0.333 3.627 3.960 0.001 0.000 0.286 960 G C 0.390 175.317 174.900 0.045 0.000 1.002 960 G CA 0.164 45.288 45.100 0.040 0.000 0.786 960 G HN 0.428 nan 8.290 nan 0.000 0.511 961 L N -0.750 120.502 121.223 0.049 0.000 2.397 961 L HA 0.332 4.672 4.340 0.001 0.000 0.271 961 L C 1.102 178.047 176.870 0.126 0.000 1.148 961 L CA -0.424 54.451 54.840 0.058 0.000 0.825 961 L CB 0.839 42.928 42.059 0.049 0.000 1.117 961 L HN 0.023 nan 8.230 nan 0.000 0.456 962 K N 2.622 123.097 120.400 0.125 0.000 2.310 962 K HA 0.199 4.520 4.320 0.001 0.000 0.290 962 K C -1.124 175.737 176.600 0.436 0.000 1.077 962 K CA -0.316 56.120 56.287 0.248 0.000 0.922 962 K CB 0.314 32.961 32.500 0.246 0.000 1.057 962 K HN 0.292 nan 8.250 nan 0.000 0.479 963 F N 5.176 125.260 119.950 0.225 0.000 2.427 963 F HA 0.410 4.938 4.527 0.001 0.000 0.346 963 F C -0.966 174.944 175.800 0.183 0.000 1.120 963 F CA -0.852 57.277 58.000 0.216 0.000 1.033 963 F CB 1.169 40.247 39.000 0.129 0.000 1.126 963 F HN 0.149 nan 8.300 nan 0.000 0.462 964 V N 6.665 126.386 119.914 -0.322 0.000 2.876 964 V HA 0.590 4.711 4.120 0.001 0.000 0.312 964 V C -1.448 174.318 176.094 -0.547 0.000 1.085 964 V CA -0.680 61.361 62.300 -0.432 0.000 0.945 964 V CB 2.249 33.787 31.823 -0.475 0.000 1.017 964 V HN 0.789 nan 8.190 nan 0.000 0.428 965 K N 4.454 124.613 120.400 -0.402 0.000 2.541 965 K HA 0.686 5.007 4.320 0.001 0.000 0.250 965 K C -1.540 174.977 176.600 -0.137 0.000 0.950 965 K CA -0.524 55.605 56.287 -0.263 0.000 0.805 965 K CB 2.338 34.692 32.500 -0.244 0.000 1.166 965 K HN 0.508 nan 8.250 nan 0.000 0.430 966 V N 2.370 122.249 119.914 -0.058 0.000 2.850 966 V HA 0.547 4.668 4.120 0.001 0.000 0.315 966 V C -0.341 175.796 176.094 0.072 0.000 1.064 966 V CA -0.895 61.395 62.300 -0.017 0.000 0.979 966 V CB 1.851 33.646 31.823 -0.046 0.000 1.039 966 V HN 0.704 nan 8.190 nan 0.000 0.452 967 R N 1.717 122.257 120.500 0.068 0.000 2.512 967 R HA 0.628 4.968 4.340 0.001 0.000 0.291 967 R C -2.039 174.320 176.300 0.099 0.000 1.097 967 R CA -0.316 55.849 56.100 0.108 0.000 0.940 967 R CB 1.897 32.261 30.300 0.107 0.000 1.198 967 R HN 0.551 nan 8.270 nan 0.000 0.429 968 V N 4.480 124.454 119.914 0.101 0.000 2.539 968 V HA 0.537 4.658 4.120 0.001 0.000 0.292 968 V C 0.195 176.247 176.094 -0.070 0.000 1.045 968 V CA -0.653 61.667 62.300 0.033 0.000 0.945 968 V CB 1.526 33.388 31.823 0.065 0.000 0.993 968 V HN 0.640 nan 8.190 nan 0.000 0.464 969 R N 2.300 122.720 120.500 -0.134 0.000 2.637 969 R HA 0.756 5.097 4.340 0.001 0.000 0.291 969 R C -1.216 174.942 176.300 -0.238 0.000 0.963 969 R CA -0.194 55.685 56.100 -0.368 0.000 0.901 969 R CB 2.194 32.243 30.300 -0.417 0.000 1.160 969 R HN 0.870 nan 8.270 nan 0.000 0.457 970 T N 1.036 115.438 114.554 -0.253 0.000 2.868 970 T HA 0.331 4.682 4.350 0.001 0.000 0.306 970 T C -0.933 173.721 174.700 -0.077 0.000 1.224 970 T CA -0.573 61.477 62.100 -0.084 0.000 1.012 970 T CB 1.921 70.810 68.868 0.035 0.000 1.221 970 T HN 0.446 nan 8.240 nan 0.000 0.499 971 T N 2.430 116.955 114.554 -0.048 0.000 2.824 971 T HA 0.524 4.874 4.350 0.001 0.000 0.280 971 T C -0.542 174.084 174.700 -0.123 0.000 0.995 971 T CA -0.740 61.309 62.100 -0.085 0.000 1.009 971 T CB 0.783 69.636 68.868 -0.024 0.000 0.955 971 T HN 0.354 nan 8.240 nan 0.000 0.452 972 K N 3.010 123.300 120.400 -0.183 0.000 2.323 972 K HA 0.559 4.880 4.320 0.001 0.000 0.259 972 K C -0.734 175.748 176.600 -0.197 0.000 0.947 972 K CA -0.584 55.602 56.287 -0.169 0.000 0.819 972 K CB 1.957 34.351 32.500 -0.177 0.000 1.109 972 K HN 0.489 nan 8.250 nan 0.000 0.429 973 I N 4.742 125.224 120.570 -0.146 0.000 2.392 973 I HA 0.256 4.427 4.170 0.001 0.000 0.295 973 I C -1.931 174.153 176.117 -0.054 0.000 0.985 973 I CA -2.560 58.672 61.300 -0.114 0.000 1.221 973 I CB 1.646 39.591 38.000 -0.092 0.000 1.366 973 I HN 0.352 nan 8.210 nan 0.000 0.467 974 P HA -0.027 nan 4.420 nan 0.000 0.263 974 P C -1.148 176.171 177.300 0.030 0.000 1.195 974 P CA 0.220 63.378 63.100 0.096 0.000 0.762 974 P CB 0.883 32.713 31.700 0.217 0.000 0.799 975 Q N 2.741 122.553 119.800 0.019 0.000 2.496 975 Q HA 0.307 4.647 4.340 0.001 0.000 0.286 975 Q C 1.329 177.327 176.000 -0.003 0.000 1.103 975 Q CA -0.947 54.848 55.803 -0.014 0.000 0.813 975 Q CB 1.975 30.691 28.738 -0.037 0.000 1.444 975 Q HN 0.199 nan 8.270 nan 0.000 0.443 976 I N 0.918 121.473 120.570 -0.025 0.000 2.103 976 I HA -0.350 3.820 4.170 0.001 0.000 0.241 976 I C 1.732 177.844 176.117 -0.007 0.000 1.036 976 I CA 2.215 63.502 61.300 -0.022 0.000 1.300 976 I CB -0.449 37.532 38.000 -0.031 0.000 1.010 976 I HN 0.933 nan 8.210 nan 0.000 0.406 977 G N -0.099 108.689 108.800 -0.021 0.000 2.598 977 G HA2 -0.108 3.852 3.960 0.001 0.000 0.215 977 G HA3 -0.108 3.852 3.960 0.001 0.000 0.215 977 G C 0.407 175.282 174.900 -0.041 0.000 1.131 977 G CA -0.010 45.072 45.100 -0.029 0.000 0.785 977 G HN 0.311 nan 8.290 nan 0.000 0.539 978 D N 0.316 120.692 120.400 -0.040 0.000 2.449 978 D HA 0.140 4.780 4.640 0.001 0.000 0.236 978 D C 0.331 176.539 176.300 -0.154 0.000 1.149 978 D CA 0.515 54.438 54.000 -0.129 0.000 0.878 978 D CB 1.151 41.856 40.800 -0.159 0.000 1.198 978 D HN 0.163 nan 8.370 nan 0.000 0.446 979 K N 1.142 121.323 120.400 -0.366 0.000 2.130 979 K HA 0.487 4.808 4.320 0.001 0.000 0.268 979 K C -1.279 174.909 176.600 -0.687 0.000 0.983 979 K CA -0.417 55.686 56.287 -0.306 0.000 0.893 979 K CB 0.636 33.027 32.500 -0.181 0.000 1.066 979 K HN 0.214 nan 8.250 nan 0.000 0.450 980 F N 0.892 120.767 119.950 -0.125 0.000 2.645 980 F HA 0.654 5.182 4.527 0.001 0.000 0.310 980 F C -0.711 175.103 175.800 0.022 0.000 1.102 980 F CA -0.787 57.127 58.000 -0.144 0.000 0.952 980 F CB 2.411 41.227 39.000 -0.307 0.000 1.326 980 F HN 0.589 nan 8.300 nan 0.000 0.456 981 A N 0.738 123.754 122.820 0.328 0.000 2.566 981 A HA 0.673 4.993 4.320 0.001 0.000 0.297 981 A C -0.497 177.171 177.584 0.141 0.000 1.059 981 A CA -0.318 51.895 52.037 0.292 0.000 0.691 981 A CB 1.187 20.265 19.000 0.130 0.000 1.282 981 A HN 0.982 nan 8.150 nan 0.000 0.401 982 S N 1.161 116.767 115.700 -0.157 0.000 2.562 982 S HA 0.381 4.851 4.470 0.001 0.000 0.256 982 S C 0.519 174.955 174.600 -0.273 0.000 1.248 982 S CA 0.026 57.885 58.200 -0.570 0.000 0.988 982 S CB 0.185 62.992 63.200 -0.654 0.000 1.035 982 S HN 0.646 nan 8.310 nan 0.000 0.548 983 R N 0.068 120.305 120.500 -0.439 0.000 2.586 983 R HA 0.294 4.634 4.340 0.001 0.000 0.306 983 R C -0.267 175.749 176.300 -0.475 0.000 1.079 983 R CA -0.024 55.835 56.100 -0.401 0.000 1.083 983 R CB -0.104 29.952 30.300 -0.408 0.000 1.306 983 R HN 0.556 nan 8.270 nan 0.000 0.567 984 H N -0.893 118.200 119.070 0.039 0.000 2.587 984 H HA 0.232 4.788 4.556 0.001 0.000 0.245 984 H C 0.892 176.293 175.328 0.122 0.000 1.238 984 H CA -0.227 55.874 56.048 0.089 0.000 0.963 984 H CB 0.904 30.751 29.762 0.143 0.000 1.904 984 H HN 0.376 nan 8.280 nan 0.000 0.584 985 G N 1.781 110.702 108.800 0.202 0.000 2.269 985 G HA2 -0.346 3.614 3.960 0.001 0.000 0.277 985 G HA3 -0.346 3.614 3.960 0.001 0.000 0.277 985 G C 0.562 175.561 174.900 0.165 0.000 1.008 985 G CA 0.542 45.773 45.100 0.219 0.000 0.774 985 G HN 0.386 nan 8.290 nan 0.000 0.511 986 Q N 0.446 120.346 119.800 0.167 0.000 2.901 986 Q HA 0.463 4.804 4.340 0.001 0.000 0.265 986 Q C 0.744 176.833 176.000 0.149 0.000 1.263 986 Q CA -0.326 55.566 55.803 0.149 0.000 1.088 986 Q CB -0.065 28.797 28.738 0.207 0.000 1.339 986 Q HN 0.740 nan 8.270 nan 0.000 0.546 987 K N -0.674 119.781 120.400 0.092 0.000 2.090 987 K HA 0.898 5.218 4.320 0.001 0.000 0.249 987 K C 0.002 176.646 176.600 0.073 0.000 0.995 987 K CA -0.759 55.580 56.287 0.087 0.000 0.914 987 K CB 1.343 33.854 32.500 0.019 0.000 1.057 987 K HN 0.276 nan 8.250 nan 0.000 0.462 988 G N -0.094 108.752 108.800 0.076 0.000 2.466 988 G HA2 0.395 4.355 3.960 0.001 0.000 0.291 988 G HA3 0.395 4.355 3.960 0.001 0.000 0.291 988 G C -1.402 173.532 174.900 0.057 0.000 1.460 988 G CA -0.637 44.493 45.100 0.050 0.000 0.791 988 G HN 0.824 nan 8.290 nan 0.000 0.505 989 T N -1.463 113.111 114.554 0.033 0.000 2.912 989 T HA 0.736 5.086 4.350 0.001 0.000 0.288 989 T C 0.457 175.187 174.700 0.050 0.000 1.030 989 T CA -0.730 61.397 62.100 0.046 0.000 1.020 989 T CB 1.356 70.221 68.868 -0.006 0.000 1.056 989 T HN 0.583 nan 8.240 nan 0.000 0.480 990 I N 1.476 122.092 120.570 0.076 0.000 2.892 990 I HA 0.343 4.513 4.170 0.001 0.000 0.287 990 I C 1.486 177.609 176.117 0.011 0.000 1.205 990 I CA 0.249 61.562 61.300 0.022 0.000 1.409 990 I CB 0.591 38.606 38.000 0.025 0.000 1.367 990 I HN 1.034 nan 8.210 nan 0.000 0.597 991 G N 5.713 114.518 108.800 0.008 0.000 3.342 991 G HA2 0.472 4.433 3.960 0.001 0.000 0.252 991 G HA3 0.472 4.433 3.960 0.001 0.000 0.252 991 G C -0.021 174.912 174.900 0.055 0.000 1.011 991 G CA 0.147 45.279 45.100 0.054 0.000 0.869 991 G HN 0.548 nan 8.290 nan 0.000 0.514 992 I N -0.102 120.424 120.570 -0.073 0.000 2.010 992 I HA 0.275 4.445 4.170 0.001 0.000 0.319 992 I C -1.643 174.279 176.117 -0.326 0.000 2.701 992 I CA -0.597 60.556 61.300 -0.244 0.000 0.947 992 I CB 1.428 39.154 38.000 -0.455 0.000 2.027 992 I HN 0.113 nan 8.210 nan 0.000 0.685 993 T N 0.979 115.285 114.554 -0.414 0.000 2.909 993 T HA 0.698 5.048 4.350 0.001 0.000 0.299 993 T C -1.273 173.196 174.700 -0.385 0.000 1.073 993 T CA -0.655 61.259 62.100 -0.311 0.000 0.999 993 T CB 1.544 70.320 68.868 -0.154 0.000 1.098 993 T HN 0.474 nan 8.240 nan 0.000 0.477 994 Y N -0.128 120.160 120.300 -0.020 0.000 2.562 994 Y HA 0.664 5.214 4.550 0.001 0.000 0.343 994 Y C 0.835 176.745 175.900 0.016 0.000 1.025 994 Y CA -1.567 56.538 58.100 0.009 0.000 1.082 994 Y CB 2.219 40.712 38.460 0.056 0.000 1.264 994 Y HN 0.436 nan 8.280 nan 0.000 0.478 995 R N 0.561 121.195 120.500 0.223 0.000 2.573 995 R HA 0.375 4.715 4.340 0.001 0.000 0.272 995 R C 0.997 177.374 176.300 0.129 0.000 1.009 995 R CA -0.774 55.403 56.100 0.129 0.000 1.059 995 R CB 1.044 31.398 30.300 0.091 0.000 1.112 995 R HN 0.742 nan 8.270 nan 0.000 0.517 996 R N 1.271 121.831 120.500 0.101 0.000 2.165 996 R HA -0.304 4.037 4.340 0.001 0.000 0.254 996 R C 1.518 177.903 176.300 0.142 0.000 1.153 996 R CA 2.488 58.655 56.100 0.111 0.000 0.971 996 R CB -0.184 30.166 30.300 0.084 0.000 0.878 996 R HN 0.635 nan 8.270 nan 0.000 0.449 997 E N 0.104 120.377 120.200 0.122 0.000 2.077 997 E HA -0.170 4.180 4.350 0.001 0.000 0.193 997 E C 1.475 178.171 176.600 0.159 0.000 0.989 997 E CA 1.445 57.928 56.400 0.138 0.000 0.800 997 E CB -0.144 29.610 29.700 0.091 0.000 0.746 997 E HN 0.361 nan 8.360 nan 0.000 0.452 998 D N -0.059 120.420 120.400 0.131 0.000 2.234 998 D HA 0.001 4.642 4.640 0.001 0.000 0.205 998 D C 0.612 176.983 176.300 0.118 0.000 0.962 998 D CA 0.306 54.385 54.000 0.131 0.000 0.855 998 D CB -0.080 40.737 40.800 0.029 0.000 0.951 998 D HN 0.149 nan 8.370 nan 0.000 0.500 999 M N 2.093 121.759 119.600 0.111 0.000 2.252 999 M HA 0.100 4.580 4.480 0.001 0.000 0.333 999 M C -2.321 173.984 176.300 0.008 0.000 1.111 999 M CA -1.219 54.116 55.300 0.059 0.000 1.140 999 M CB 0.687 33.337 32.600 0.084 0.000 1.538 999 M HN -0.223 nan 8.290 nan 0.000 0.448 1000 P HA 0.224 nan 4.420 nan 0.000 0.275 1000 P C -1.512 175.769 177.300 -0.031 0.000 1.227 1000 P CA -0.119 62.818 63.100 -0.273 0.000 0.781 1000 P CB 0.241 31.566 31.700 -0.624 0.000 0.906 1001 F N -0.703 119.326 119.950 0.130 0.000 2.620 1001 F HA 0.723 5.250 4.527 0.001 0.000 0.320 1001 F C -0.293 175.621 175.800 0.189 0.000 1.069 1001 F CA -1.568 56.522 58.000 0.149 0.000 0.953 1001 F CB 0.394 39.448 39.000 0.090 0.000 1.322 1001 F HN 0.292 nan 8.300 nan 0.000 0.479 1002 T N -1.397 113.441 114.554 0.473 0.000 2.928 1002 T HA 0.600 4.951 4.350 0.001 0.000 0.284 1002 T C 0.935 175.798 174.700 0.271 0.000 1.008 1002 T CA -0.194 62.081 62.100 0.292 0.000 1.057 1002 T CB 1.442 70.293 68.868 -0.028 0.000 1.018 1002 T HN 1.141 nan 8.240 nan 0.000 0.493 1003 A N 0.715 123.694 122.820 0.264 0.000 2.186 1003 A HA -0.031 4.290 4.320 0.001 0.000 0.219 1003 A C 1.982 179.531 177.584 -0.059 0.000 1.159 1003 A CA 1.135 53.188 52.037 0.026 0.000 0.680 1003 A CB -0.840 18.231 19.000 0.118 0.000 0.787 1003 A HN 0.960 nan 8.150 nan 0.000 0.467 1004 E N -1.867 118.329 120.200 -0.007 0.000 2.502 1004 E HA 0.212 4.562 4.350 0.001 0.000 0.194 1004 E C 1.443 178.006 176.600 -0.061 0.000 1.062 1004 E CA 0.346 56.733 56.400 -0.022 0.000 0.867 1004 E CB -0.051 29.670 29.700 0.035 0.000 0.888 1004 E HN 0.721 nan 8.360 nan 0.000 0.510 1005 G N 1.493 110.228 108.800 -0.109 0.000 2.345 1005 G HA2 -0.293 3.667 3.960 0.001 0.000 0.218 1005 G HA3 -0.293 3.667 3.960 0.001 0.000 0.218 1005 G C 0.521 175.403 174.900 -0.029 0.000 1.058 1005 G CA 0.067 45.090 45.100 -0.129 0.000 0.632 1005 G HN 0.279 nan 8.290 nan 0.000 0.508 1006 I N 0.672 121.244 120.570 0.003 0.000 2.993 1006 I HA 0.451 4.622 4.170 0.001 0.000 0.301 1006 I C 0.693 176.915 176.117 0.175 0.000 1.229 1006 I CA -0.168 61.167 61.300 0.058 0.000 1.435 1006 I CB 0.632 38.628 38.000 -0.008 0.000 1.328 1006 I HN 0.280 nan 8.210 nan 0.000 0.584 1007 V N 5.629 125.699 119.914 0.260 0.000 3.087 1007 V HA 0.577 4.698 4.120 0.001 0.000 0.306 1007 V C -2.360 173.882 176.094 0.248 0.000 1.187 1007 V CA -1.586 60.904 62.300 0.317 0.000 0.999 1007 V CB 2.722 34.672 31.823 0.210 0.000 1.049 1007 V HN 0.829 nan 8.190 nan 0.000 0.431 1008 P HA 0.368 nan 4.420 nan 0.000 0.274 1008 P C -0.808 176.443 177.300 -0.081 0.000 1.246 1008 P CA 0.062 63.069 63.100 -0.155 0.000 0.795 1008 P CB 1.156 32.620 31.700 -0.394 0.000 1.006 1009 D N -0.332 120.003 120.400 -0.108 0.000 2.423 1009 D HA 0.177 4.817 4.640 0.001 0.000 0.208 1009 D C 0.083 176.300 176.300 -0.138 0.000 1.068 1009 D CA 0.654 54.602 54.000 -0.086 0.000 0.860 1009 D CB 0.454 41.211 40.800 -0.072 0.000 0.992 1009 D HN 0.114 nan 8.370 nan 0.000 0.504 1010 L N 0.783 121.895 121.223 -0.186 0.000 2.445 1010 L HA 0.448 4.788 4.340 0.001 0.000 0.262 1010 L C -1.594 175.151 176.870 -0.208 0.000 0.974 1010 L CA -0.547 54.150 54.840 -0.240 0.000 0.822 1010 L CB 2.602 44.444 42.059 -0.363 0.000 1.339 1010 L HN -0.208 nan 8.230 nan 0.000 0.409 1011 I N 5.926 126.400 120.570 -0.160 0.000 2.495 1011 I HA 0.394 4.564 4.170 0.001 0.000 0.277 1011 I C -0.156 175.922 176.117 -0.065 0.000 1.045 1011 I CA -0.516 60.713 61.300 -0.119 0.000 1.135 1011 I CB 1.153 39.104 38.000 -0.082 0.000 1.241 1011 I HN 0.509 nan 8.210 nan 0.000 0.469 1012 I N 2.174 122.717 120.570 -0.045 0.000 2.577 1012 I HA 0.452 4.622 4.170 0.001 0.000 0.300 1012 I C 0.129 176.245 176.117 -0.002 0.000 0.990 1012 I CA -0.438 60.860 61.300 -0.005 0.000 1.283 1012 I CB 1.245 39.273 38.000 0.046 0.000 1.411 1012 I HN 0.452 nan 8.210 nan 0.000 0.515 1013 N N 6.244 124.953 118.700 0.015 0.000 2.497 1013 N HA 0.194 4.934 4.740 0.001 0.000 0.271 1013 N C -1.600 173.893 175.510 -0.028 0.000 1.142 1013 N CA -1.658 51.402 53.050 0.017 0.000 0.965 1013 N CB 1.337 39.872 38.487 0.080 0.000 1.077 1013 N HN 0.493 nan 8.380 nan 0.000 0.462 1014 P HA -0.192 nan 4.420 nan 0.000 0.217 1014 P C 0.836 178.050 177.300 -0.142 0.000 1.148 1014 P CA 1.479 64.484 63.100 -0.158 0.000 0.834 1014 P CB 0.018 31.586 31.700 -0.219 0.000 0.783 1015 H N 0.165 119.222 119.070 -0.022 0.000 2.457 1015 H HA 0.023 4.579 4.556 0.001 0.000 0.297 1015 H C 1.579 176.888 175.328 -0.031 0.000 1.092 1015 H CA 1.307 57.342 56.048 -0.022 0.000 1.309 1015 H CB -0.636 29.117 29.762 -0.014 0.000 1.382 1015 H HN 0.150 nan 8.280 nan 0.000 0.535 1016 A N 0.775 123.636 122.820 0.070 0.000 2.281 1016 A HA 0.084 4.404 4.320 0.001 0.000 0.231 1016 A C 1.558 179.124 177.584 -0.030 0.000 1.317 1016 A CA 0.252 52.300 52.037 0.018 0.000 0.959 1016 A CB -0.511 18.490 19.000 0.002 0.000 0.900 1016 A HN 0.162 nan 8.150 nan 0.000 0.497 1017 I N -1.212 119.339 120.570 -0.031 0.000 3.809 1017 I HA 0.107 4.277 4.170 0.001 0.000 0.245 1017 I C -0.855 175.245 176.117 -0.029 0.000 1.119 1017 I CA -0.244 61.018 61.300 -0.063 0.000 1.597 1017 I CB -1.685 36.247 38.000 -0.112 0.000 1.605 1017 I HN 0.009 nan 8.210 nan 0.000 0.441 1018 P HA -0.247 nan 4.420 nan 0.000 0.216 1018 P C 1.919 179.224 177.300 0.008 0.000 1.151 1018 P CA 3.237 66.338 63.100 0.002 0.000 0.953 1018 P CB -0.162 31.553 31.700 0.024 0.000 0.789 1019 S N 0.232 115.943 115.700 0.019 0.000 2.365 1019 S HA -0.251 4.219 4.470 0.001 0.000 0.221 1019 S C 1.772 176.385 174.600 0.021 0.000 1.037 1019 S CA 1.588 59.800 58.200 0.019 0.000 1.060 1019 S CB -1.464 61.748 63.200 0.021 0.000 0.974 1019 S HN 0.190 nan 8.310 nan 0.000 0.427 1020 R N 1.789 122.303 120.500 0.025 0.000 2.339 1020 R HA 0.178 4.518 4.340 0.001 0.000 0.199 1020 R C 0.542 176.856 176.300 0.024 0.000 1.018 1020 R CA 0.499 56.622 56.100 0.038 0.000 1.036 1020 R CB -1.270 29.063 30.300 0.055 0.000 0.899 1020 R HN 0.538 nan 8.270 nan 0.000 0.473 1021 M N 1.816 121.420 119.600 0.006 0.000 2.176 1021 M HA -0.163 4.317 4.480 0.001 0.000 0.186 1021 M C -0.006 176.291 176.300 -0.005 0.000 0.619 1021 M CA 1.264 56.562 55.300 -0.003 0.000 0.438 1021 M CB -1.498 31.104 32.600 0.003 0.000 1.020 1021 M HN 0.156 nan 8.290 nan 0.000 0.920 1022 T N -0.424 114.120 114.554 -0.017 0.000 3.471 1022 T HA 0.441 4.791 4.350 0.001 0.000 0.355 1022 T C 1.012 175.665 174.700 -0.079 0.000 1.775 1022 T CA -0.542 61.538 62.100 -0.033 0.000 1.305 1022 T CB 0.163 69.036 68.868 0.008 0.000 1.171 1022 T HN 0.313 nan 8.240 nan 0.000 0.776 1023 V N 3.261 123.143 119.914 -0.054 0.000 2.490 1023 V HA -0.109 4.012 4.120 0.001 0.000 0.250 1023 V C 2.953 178.990 176.094 -0.095 0.000 1.061 1023 V CA 2.011 64.278 62.300 -0.055 0.000 1.064 1023 V CB -1.117 30.710 31.823 0.006 0.000 0.670 1023 V HN 0.873 nan 8.190 nan 0.000 0.461 1024 A N -0.704 122.030 122.820 -0.142 0.000 1.948 1024 A HA -0.334 3.986 4.320 0.001 0.000 0.220 1024 A C 2.189 179.633 177.584 -0.232 0.000 1.177 1024 A CA 2.226 54.166 52.037 -0.163 0.000 0.636 1024 A CB -0.856 18.038 19.000 -0.176 0.000 0.815 1024 A HN 0.700 nan 8.150 nan 0.000 0.449 1025 H N 0.273 118.989 119.070 -0.590 0.000 2.254 1025 H HA -0.154 4.402 4.556 0.001 0.000 0.294 1025 H C 2.002 177.351 175.328 0.036 0.000 1.071 1025 H CA 2.309 58.292 56.048 -0.108 0.000 1.228 1025 H CB -0.615 29.145 29.762 -0.004 0.000 1.358 1025 H HN 0.410 nan 8.280 nan 0.000 0.495 1026 L N 0.242 121.565 121.223 0.167 0.000 2.034 1026 L HA -0.287 4.054 4.340 0.001 0.000 0.217 1026 L C 3.004 179.979 176.870 0.175 0.000 1.077 1026 L CA 1.699 56.552 54.840 0.022 0.000 0.769 1026 L CB -0.550 41.369 42.059 -0.234 0.000 0.890 1026 L HN 0.309 nan 8.230 nan 0.000 0.435 1027 I N -0.733 119.897 120.570 0.099 0.000 2.090 1027 I HA -0.298 3.873 4.170 0.001 0.000 0.236 1027 I C 2.634 178.921 176.117 0.284 0.000 1.064 1027 I CA 1.442 62.819 61.300 0.127 0.000 1.324 1027 I CB -0.543 37.380 38.000 -0.130 0.000 1.044 1027 I HN 0.338 nan 8.210 nan 0.000 0.399 1028 E N 0.423 120.820 120.200 0.328 0.000 2.197 1028 E HA -0.372 3.978 4.350 0.001 0.000 0.205 1028 E C 2.288 178.977 176.600 0.148 0.000 1.029 1028 E CA 2.214 58.731 56.400 0.195 0.000 0.828 1028 E CB -0.156 29.609 29.700 0.108 0.000 0.737 1028 E HN 0.618 nan 8.360 nan 0.000 0.464 1029 C N -0.200 119.221 119.300 0.201 0.000 2.548 1029 C HA -0.144 4.317 4.460 0.001 0.000 0.284 1029 C C 2.689 177.752 174.990 0.123 0.000 1.252 1029 C CA 1.005 60.134 59.018 0.184 0.000 1.725 1029 C CB -1.258 26.709 27.740 0.379 0.000 2.098 1029 C HN 0.596 nan 8.230 nan 0.000 0.471 1030 L N 0.923 122.268 121.223 0.202 0.000 2.021 1030 L HA -0.150 4.190 4.340 0.001 0.000 0.215 1030 L C 2.332 179.260 176.870 0.097 0.000 1.074 1030 L CA 2.267 57.181 54.840 0.123 0.000 0.760 1030 L CB -0.993 41.185 42.059 0.199 0.000 0.889 1030 L HN 0.541 nan 8.230 nan 0.000 0.433 1031 L N -1.652 119.656 121.223 0.141 0.000 2.046 1031 L HA -0.170 4.171 4.340 0.001 0.000 0.208 1031 L C 2.408 179.314 176.870 0.062 0.000 1.077 1031 L CA 2.099 57.015 54.840 0.127 0.000 0.747 1031 L CB -0.993 41.191 42.059 0.209 0.000 0.896 1031 L HN 0.223 nan 8.230 nan 0.000 0.432 1032 S N -0.641 115.085 115.700 0.044 0.000 2.406 1032 S HA -0.157 4.313 4.470 0.001 0.000 0.228 1032 S C 1.943 176.531 174.600 -0.020 0.000 1.020 1032 S CA 1.226 59.430 58.200 0.007 0.000 0.965 1032 S CB -0.242 62.966 63.200 0.013 0.000 0.798 1032 S HN 0.482 nan 8.310 nan 0.000 0.488 1033 K N 0.996 121.374 120.400 -0.036 0.000 2.097 1033 K HA -0.064 4.256 4.320 0.001 0.000 0.206 1033 K C 1.857 178.391 176.600 -0.110 0.000 1.049 1033 K CA 1.037 57.265 56.287 -0.099 0.000 0.933 1033 K CB -0.146 32.264 32.500 -0.149 0.000 0.717 1033 K HN 0.136 nan 8.250 nan 0.000 0.442 1034 V N 1.059 120.939 119.914 -0.057 0.000 2.221 1034 V HA -0.228 3.893 4.120 0.001 0.000 0.240 1034 V C 2.285 178.335 176.094 -0.073 0.000 1.041 1034 V CA 1.995 64.260 62.300 -0.059 0.000 0.991 1034 V CB -0.775 31.069 31.823 0.035 0.000 0.634 1034 V HN 0.510 nan 8.190 nan 0.000 0.450 1035 A N -0.236 122.572 122.820 -0.020 0.000 2.054 1035 A HA -0.286 4.034 4.320 0.001 0.000 0.223 1035 A C 2.282 179.844 177.584 -0.037 0.000 1.169 1035 A CA 2.675 54.702 52.037 -0.017 0.000 0.655 1035 A CB -0.786 18.209 19.000 -0.009 0.000 0.812 1035 A HN 0.687 nan 8.150 nan 0.000 0.462 1036 A N -0.594 122.193 122.820 -0.055 0.000 1.874 1036 A HA 0.120 4.440 4.320 0.001 0.000 0.214 1036 A C 2.094 179.636 177.584 -0.070 0.000 1.189 1036 A CA 1.216 53.221 52.037 -0.052 0.000 0.615 1036 A CB -0.525 18.445 19.000 -0.050 0.000 0.830 1036 A HN 0.461 nan 8.150 nan 0.000 0.443 1037 L N 0.420 121.563 121.223 -0.133 0.000 2.131 1037 L HA -0.146 4.194 4.340 0.001 0.000 0.210 1037 L C 2.636 179.423 176.870 -0.138 0.000 1.092 1037 L CA 1.609 56.337 54.840 -0.187 0.000 0.759 1037 L CB -0.248 41.547 42.059 -0.440 0.000 0.903 1037 L HN 0.601 nan 8.230 nan 0.000 0.435 1038 S N -0.843 114.797 115.700 -0.099 0.000 2.524 1038 S HA 0.157 4.627 4.470 0.001 0.000 0.215 1038 S C 1.384 176.001 174.600 0.028 0.000 0.986 1038 S CA 0.276 58.493 58.200 0.028 0.000 0.911 1038 S CB 0.411 63.662 63.200 0.085 0.000 0.805 1038 S HN 0.446 nan 8.310 nan 0.000 0.501 1039 G N 2.142 110.942 108.800 0.001 0.000 2.366 1039 G HA2 -0.217 3.744 3.960 0.001 0.000 0.299 1039 G HA3 -0.217 3.744 3.960 0.001 0.000 0.299 1039 G C -0.471 174.434 174.900 0.008 0.000 1.020 1039 G CA 0.155 45.257 45.100 0.003 0.000 1.026 1039 G HN 0.566 nan 8.290 nan 0.000 0.512 1040 N N 0.180 118.885 118.700 0.008 0.000 2.480 1040 N HA 0.215 4.955 4.740 0.001 0.000 0.289 1040 N C -0.245 175.265 175.510 -0.001 0.000 1.073 1040 N CA -0.606 52.451 53.050 0.012 0.000 0.885 1040 N CB 1.595 40.101 38.487 0.032 0.000 1.421 1040 N HN 0.518 nan 8.380 nan 0.000 0.503 1041 E N 1.339 121.531 120.200 -0.013 0.000 2.757 1041 E HA -0.020 4.330 4.350 0.001 0.000 0.238 1041 E C 0.387 176.972 176.600 -0.025 0.000 1.057 1041 E CA -0.026 56.355 56.400 -0.031 0.000 0.952 1041 E CB 0.126 29.800 29.700 -0.043 0.000 0.934 1041 E HN 0.576 nan 8.360 nan 0.000 0.518 1042 G N 4.628 113.411 108.800 -0.028 0.000 2.298 1042 G HA2 -0.070 3.890 3.960 0.001 0.000 0.263 1042 G HA3 -0.070 3.890 3.960 0.001 0.000 0.263 1042 G C -0.304 174.571 174.900 -0.042 0.000 1.229 1042 G CA -0.442 44.651 45.100 -0.012 0.000 0.976 1042 G HN 0.608 nan 8.290 nan 0.000 0.459 1043 D N 1.596 121.997 120.400 0.002 0.000 2.316 1043 D HA 0.439 5.079 4.640 0.001 0.000 0.245 1043 D C 0.665 176.956 176.300 -0.015 0.000 1.171 1043 D CA -0.161 53.831 54.000 -0.014 0.000 0.856 1043 D CB 1.167 41.993 40.800 0.043 0.000 1.090 1043 D HN 0.323 nan 8.370 nan 0.000 0.476 1044 A N 3.076 125.751 122.820 -0.242 0.000 2.606 1044 A HA 0.275 4.596 4.320 0.001 0.000 0.290 1044 A C 0.595 177.937 177.584 -0.404 0.000 1.174 1044 A CA -0.477 51.103 52.037 -0.762 0.000 0.958 1044 A CB -0.012 18.149 19.000 -1.398 0.000 1.194 1044 A HN 0.430 nan 8.150 nan 0.000 0.526 1045 S N 2.155 117.818 115.700 -0.062 0.000 2.566 1045 S HA 0.189 4.659 4.470 0.001 0.000 0.280 1045 S C -1.418 173.254 174.600 0.120 0.000 1.343 1045 S CA -0.553 57.663 58.200 0.027 0.000 1.036 1045 S CB 0.496 63.764 63.200 0.113 0.000 0.866 1045 S HN 0.317 nan 8.310 nan 0.000 0.526 1046 P HA -0.154 nan 4.420 nan 0.000 0.220 1046 P C -0.149 177.010 177.300 -0.236 0.000 0.963 1046 P CA 1.158 64.069 63.100 -0.316 0.000 1.015 1046 P CB -0.043 31.251 31.700 -0.677 0.000 0.609 1047 F N -0.329 119.763 119.950 0.237 0.000 2.434 1047 F HA 0.367 4.894 4.527 0.001 0.000 0.358 1047 F C 1.186 177.131 175.800 0.241 0.000 1.136 1047 F CA -0.149 57.963 58.000 0.186 0.000 1.157 1047 F CB -0.822 38.226 39.000 0.081 0.000 1.167 1047 F HN 0.056 nan 8.300 nan 0.000 0.539 1048 T N -2.201 112.556 114.554 0.338 0.000 2.681 1048 T HA 0.280 4.631 4.350 0.001 0.000 0.296 1048 T C 0.028 174.859 174.700 0.217 0.000 1.157 1048 T CA -0.847 61.427 62.100 0.290 0.000 1.025 1048 T CB 1.818 70.860 68.868 0.289 0.000 1.441 1048 T HN 0.300 nan 8.240 nan 0.000 0.504 1049 D N 0.070 120.580 120.400 0.184 0.000 2.328 1049 D HA 0.280 4.921 4.640 0.001 0.000 0.221 1049 D C 0.410 176.784 176.300 0.122 0.000 1.072 1049 D CA 0.011 54.095 54.000 0.140 0.000 0.850 1049 D CB 0.014 40.887 40.800 0.122 0.000 0.922 1049 D HN 0.486 nan 8.370 nan 0.000 0.516 1050 I N 1.089 121.741 120.570 0.138 0.000 2.634 1050 I HA 0.025 4.195 4.170 0.001 0.000 0.284 1050 I C 1.111 177.260 176.117 0.053 0.000 1.124 1050 I CA 0.234 61.599 61.300 0.109 0.000 1.417 1050 I CB 1.008 39.099 38.000 0.151 0.000 1.396 1050 I HN -0.151 nan 8.210 nan 0.000 0.571 1051 T N 1.312 115.888 114.554 0.037 0.000 2.901 1051 T HA 0.366 4.716 4.350 0.001 0.000 0.293 1051 T C 0.608 175.304 174.700 -0.007 0.000 1.084 1051 T CA -0.832 61.273 62.100 0.010 0.000 1.008 1051 T CB 1.715 70.606 68.868 0.039 0.000 1.170 1051 T HN 0.181 nan 8.240 nan 0.000 0.509 1052 V N 1.197 121.098 119.914 -0.022 0.000 2.759 1052 V HA -0.042 4.078 4.120 0.001 0.000 0.256 1052 V C 2.630 178.748 176.094 0.040 0.000 1.080 1052 V CA 1.529 63.826 62.300 -0.004 0.000 1.101 1052 V CB -0.848 30.972 31.823 -0.005 0.000 0.698 1052 V HN 0.825 nan 8.190 nan 0.000 0.477 1053 E N 0.739 120.964 120.200 0.042 0.000 2.112 1053 E HA -0.052 4.298 4.350 0.001 0.000 0.190 1053 E C 2.341 178.976 176.600 0.058 0.000 0.979 1053 E CA 1.237 57.668 56.400 0.052 0.000 0.814 1053 E CB -0.548 29.180 29.700 0.046 0.000 0.762 1053 E HN 0.558 nan 8.360 nan 0.000 0.460 1054 G N 1.372 110.206 108.800 0.056 0.000 2.414 1054 G HA2 -0.203 3.758 3.960 0.001 0.000 0.215 1054 G HA3 -0.203 3.758 3.960 0.001 0.000 0.215 1054 G C 1.776 176.721 174.900 0.076 0.000 1.188 1054 G CA 0.648 45.786 45.100 0.064 0.000 0.783 1054 G HN 0.192 nan 8.290 nan 0.000 0.537 1055 I N 1.002 121.618 120.570 0.077 0.000 2.163 1055 I HA -0.198 3.973 4.170 0.001 0.000 0.243 1055 I C 3.042 179.221 176.117 0.102 0.000 1.085 1055 I CA 1.291 62.647 61.300 0.093 0.000 1.347 1055 I CB -0.485 37.571 38.000 0.093 0.000 1.044 1055 I HN 0.113 nan 8.210 nan 0.000 0.408 1056 S N 0.721 116.479 115.700 0.097 0.000 2.380 1056 S HA -0.243 4.227 4.470 0.001 0.000 0.229 1056 S C 1.928 176.590 174.600 0.102 0.000 1.043 1056 S CA 1.575 59.839 58.200 0.108 0.000 1.038 1056 S CB -0.257 63.003 63.200 0.100 0.000 0.872 1056 S HN 0.410 nan 8.310 nan 0.000 0.456 1057 K N 0.690 121.142 120.400 0.087 0.000 2.057 1057 K HA 0.056 4.376 4.320 0.001 0.000 0.206 1057 K C 2.072 178.726 176.600 0.089 0.000 1.050 1057 K CA 0.882 57.215 56.287 0.076 0.000 0.935 1057 K CB -0.318 32.218 32.500 0.061 0.000 0.715 1057 K HN 0.293 nan 8.250 nan 0.000 0.439 1058 L N 0.753 122.040 121.223 0.107 0.000 2.083 1058 L HA -0.194 4.146 4.340 0.001 0.000 0.209 1058 L C 2.437 179.441 176.870 0.224 0.000 1.083 1058 L CA 0.670 55.594 54.840 0.140 0.000 0.752 1058 L CB -0.324 41.823 42.059 0.147 0.000 0.899 1058 L HN 0.189 nan 8.230 nan 0.000 0.433 1059 L N -0.024 121.321 121.223 0.204 0.000 2.093 1059 L HA -0.184 4.157 4.340 0.001 0.000 0.208 1059 L C 2.645 179.664 176.870 0.247 0.000 1.085 1059 L CA 1.464 56.452 54.840 0.247 0.000 0.755 1059 L CB -0.437 41.726 42.059 0.174 0.000 0.904 1059 L HN 0.069 nan 8.230 nan 0.000 0.435 1060 R N 0.566 121.162 120.500 0.160 0.000 2.115 1060 R HA -0.112 4.228 4.340 0.001 0.000 0.230 1060 R C 1.755 178.095 176.300 0.068 0.000 1.111 1060 R CA 1.357 57.523 56.100 0.110 0.000 0.976 1060 R CB -0.531 29.814 30.300 0.074 0.000 0.870 1060 R HN 0.494 nan 8.270 nan 0.000 0.445 1061 E N -0.603 119.626 120.200 0.048 0.000 2.461 1061 E HA -0.108 4.243 4.350 0.001 0.000 0.196 1061 E C 0.202 176.649 176.600 -0.255 0.000 1.129 1061 E CA 0.223 56.573 56.400 -0.084 0.000 0.902 1061 E CB 0.001 29.637 29.700 -0.106 0.000 0.963 1061 E HN 0.470 nan 8.360 nan 0.000 0.503 1062 H N -2.182 116.908 119.070 0.032 0.000 3.398 1062 H HA 0.163 4.719 4.556 0.001 0.000 0.260 1062 H C 1.220 176.455 175.328 -0.155 0.000 1.189 1062 H CA 0.751 56.807 56.048 0.013 0.000 1.145 1062 H CB 1.817 31.666 29.762 0.145 0.000 1.599 1062 H HN 0.331 nan 8.280 nan 0.000 0.615 1063 G N 0.592 109.346 108.800 -0.076 0.000 2.201 1063 G HA2 -0.241 3.720 3.960 0.001 0.000 0.212 1063 G HA3 -0.241 3.720 3.960 0.001 0.000 0.212 1063 G C -0.250 174.464 174.900 -0.311 0.000 0.994 1063 G CA -0.252 44.701 45.100 -0.244 0.000 0.644 1063 G HN 0.299 nan 8.290 nan 0.000 0.508 1064 Y N 0.716 121.057 120.300 0.067 0.000 2.403 1064 Y HA 0.593 5.143 4.550 0.001 0.000 0.323 1064 Y C 0.878 176.811 175.900 0.056 0.000 1.226 1064 Y CA -0.534 57.593 58.100 0.045 0.000 1.235 1064 Y CB 0.804 39.280 38.460 0.028 0.000 1.248 1064 Y HN 0.251 nan 8.280 nan 0.000 0.489 1065 Q N 0.973 120.921 119.800 0.247 0.000 2.369 1065 Q HA -0.045 4.295 4.340 0.001 0.000 0.295 1065 Q C 0.762 176.874 176.000 0.187 0.000 1.075 1065 Q CA 0.698 56.609 55.803 0.180 0.000 0.941 1065 Q CB 0.856 29.715 28.738 0.202 0.000 1.260 1065 Q HN 0.712 nan 8.270 nan 0.000 0.417 1066 S N 2.967 118.758 115.700 0.151 0.000 2.593 1066 S HA 0.139 4.610 4.470 0.001 0.000 0.217 1066 S C 0.430 175.138 174.600 0.180 0.000 0.966 1066 S CA -0.156 58.134 58.200 0.149 0.000 0.914 1066 S CB 0.180 63.446 63.200 0.110 0.000 0.776 1066 S HN 0.640 nan 8.310 nan 0.000 0.523 1067 R N -0.069 120.582 120.500 0.252 0.000 2.535 1067 R HA 0.421 4.762 4.340 0.001 0.000 0.323 1067 R C 1.496 178.091 176.300 0.491 0.000 0.979 1067 R CA 0.455 56.779 56.100 0.374 0.000 1.120 1067 R CB 0.005 30.544 30.300 0.400 0.000 1.306 1067 R HN 0.508 nan 8.270 nan 0.000 0.540 1068 G N 0.973 109.942 108.800 0.283 0.000 3.349 1068 G HA2 -0.273 3.687 3.960 0.001 0.000 0.202 1068 G HA3 -0.273 3.687 3.960 0.001 0.000 0.202 1068 G C -0.031 174.889 174.900 0.033 0.000 1.588 1068 G CA -0.369 44.707 45.100 -0.040 0.000 1.198 1068 G HN 0.100 nan 8.290 nan 0.000 0.588 1069 F N 3.104 123.092 119.950 0.063 0.000 2.422 1069 F HA 0.305 4.832 4.527 0.001 0.000 0.364 1069 F C 1.159 176.978 175.800 0.032 0.000 0.954 1069 F CA 1.402 59.450 58.000 0.081 0.000 1.192 1069 F CB 0.142 39.209 39.000 0.112 0.000 0.895 1069 F HN 0.431 nan 8.300 nan 0.000 0.589 1070 E N 0.524 120.832 120.200 0.181 0.000 2.383 1070 E HA 0.501 4.851 4.350 0.001 0.000 0.275 1070 E C -1.330 175.326 176.600 0.093 0.000 0.918 1070 E CA -1.104 55.349 56.400 0.087 0.000 0.764 1070 E CB 2.729 32.373 29.700 -0.093 0.000 1.252 1070 E HN 0.235 nan 8.360 nan 0.000 0.449 1071 V N 2.503 122.461 119.914 0.073 0.000 2.732 1071 V HA 0.360 4.480 4.120 0.001 0.000 0.297 1071 V C 0.184 176.290 176.094 0.019 0.000 1.060 1071 V CA 0.295 62.607 62.300 0.019 0.000 1.038 1071 V CB 0.899 32.707 31.823 -0.024 0.000 1.003 1071 V HN 0.586 nan 8.190 nan 0.000 0.481 1072 M N 3.179 122.734 119.600 -0.075 0.000 2.631 1072 M HA 0.557 5.037 4.480 0.001 0.000 0.288 1072 M C -1.908 174.250 176.300 -0.237 0.000 1.260 1072 M CA -0.648 54.655 55.300 0.004 0.000 0.842 1072 M CB 2.763 35.401 32.600 0.064 0.000 1.743 1072 M HN 0.507 nan 8.290 nan 0.000 0.461 1073 Y N 0.011 120.165 120.300 -0.243 0.000 2.446 1073 Y HA 0.346 4.896 4.550 0.001 0.000 0.345 1073 Y C 0.153 175.698 175.900 -0.591 0.000 0.984 1073 Y CA -1.444 56.421 58.100 -0.392 0.000 1.058 1073 Y CB 0.827 39.071 38.460 -0.360 0.000 1.220 1073 Y HN 0.530 nan 8.280 nan 0.000 0.455 1074 N N 1.614 120.221 118.700 -0.154 0.000 2.406 1074 N HA -0.008 4.732 4.740 0.001 0.000 0.265 1074 N C 1.182 176.620 175.510 -0.120 0.000 1.203 1074 N CA 0.621 53.618 53.050 -0.087 0.000 0.945 1074 N CB 1.250 39.698 38.487 -0.065 0.000 1.165 1074 N HN 1.067 nan 8.380 nan 0.000 0.485 1075 G N 3.112 111.849 108.800 -0.105 0.000 2.532 1075 G HA2 -0.280 3.681 3.960 0.001 0.000 0.222 1075 G HA3 -0.280 3.681 3.960 0.001 0.000 0.222 1075 G C 1.051 176.072 174.900 0.201 0.000 1.102 1075 G CA 0.942 46.076 45.100 0.056 0.000 0.742 1075 G HN 0.682 nan 8.290 nan 0.000 0.577 1076 H N 0.482 119.534 119.070 -0.029 0.000 2.284 1076 H HA -0.014 4.542 4.556 0.001 0.000 0.304 1076 H C 2.986 178.312 175.328 -0.004 0.000 1.069 1076 H CA 1.929 57.955 56.048 -0.037 0.000 1.327 1076 H CB -0.739 28.969 29.762 -0.091 0.000 1.387 1076 H HN 0.451 nan 8.280 nan 0.000 0.498 1077 T N -3.942 110.695 114.554 0.138 0.000 3.037 1077 T HA 0.273 4.624 4.350 0.001 0.000 0.252 1077 T C 1.876 176.639 174.700 0.105 0.000 1.073 1077 T CA 0.722 62.878 62.100 0.094 0.000 1.091 1077 T CB 0.150 69.057 68.868 0.065 0.000 0.935 1077 T HN 0.556 nan 8.240 nan 0.000 0.488 1078 G N 1.676 110.544 108.800 0.113 0.000 2.225 1078 G HA2 -0.307 3.653 3.960 0.001 0.000 0.254 1078 G HA3 -0.307 3.653 3.960 0.001 0.000 0.254 1078 G C 0.069 175.114 174.900 0.241 0.000 0.988 1078 G CA 0.403 45.612 45.100 0.182 0.000 0.625 1078 G HN 0.874 nan 8.290 nan 0.000 0.527 1079 K N 1.218 121.712 120.400 0.156 0.000 2.258 1079 K HA 0.449 4.770 4.320 0.001 0.000 0.264 1079 K C 0.761 177.417 176.600 0.094 0.000 1.007 1079 K CA -0.431 55.944 56.287 0.148 0.000 0.941 1079 K CB 0.319 32.860 32.500 0.069 0.000 0.966 1079 K HN 0.228 nan 8.250 nan 0.000 0.480 1080 K N 2.247 122.637 120.400 -0.018 0.000 2.319 1080 K HA 0.085 4.406 4.320 0.001 0.000 0.265 1080 K C -0.274 176.212 176.600 -0.191 0.000 1.000 1080 K CA -0.122 55.962 56.287 -0.337 0.000 0.943 1080 K CB 0.424 32.690 32.500 -0.390 0.000 0.950 1080 K HN 0.452 nan 8.250 nan 0.000 0.485 1081 L N 3.714 124.805 121.223 -0.220 0.000 2.260 1081 L HA 0.081 4.421 4.340 0.001 0.000 0.289 1081 L C 1.326 178.150 176.870 -0.077 0.000 1.057 1081 L CA -0.412 54.368 54.840 -0.100 0.000 0.811 1081 L CB 0.922 42.945 42.059 -0.060 0.000 1.184 1081 L HN 0.745 nan 8.230 nan 0.000 0.429 1082 M N 3.537 123.110 119.600 -0.045 0.000 2.327 1082 M HA -0.143 4.337 4.480 0.001 0.000 0.258 1082 M C 0.620 176.915 176.300 -0.008 0.000 1.079 1082 M CA 1.256 56.539 55.300 -0.027 0.000 1.056 1082 M CB -0.203 32.390 32.600 -0.012 0.000 1.387 1082 M HN 0.585 nan 8.290 nan 0.000 0.423 1083 A N -0.603 122.222 122.820 0.009 0.000 2.337 1083 A HA 0.667 4.988 4.320 0.001 0.000 0.331 1083 A C -0.431 177.196 177.584 0.072 0.000 1.137 1083 A CA -0.853 51.212 52.037 0.048 0.000 0.807 1083 A CB 0.780 19.819 19.000 0.064 0.000 1.250 1083 A HN 0.346 nan 8.150 nan 0.000 0.468 1084 Q N -0.273 119.612 119.800 0.142 0.000 2.249 1084 Q HA 0.725 5.066 4.340 0.001 0.000 0.226 1084 Q C -1.042 175.126 176.000 0.279 0.000 0.983 1084 Q CA 0.146 56.071 55.803 0.204 0.000 0.930 1084 Q CB 1.103 30.002 28.738 0.268 0.000 1.193 1084 Q HN 0.595 nan 8.270 nan 0.000 0.508 1085 I N 0.574 121.281 120.570 0.228 0.000 2.533 1085 I HA 0.271 4.441 4.170 0.001 0.000 0.290 1085 I C -0.851 175.274 176.117 0.013 0.000 1.056 1085 I CA -0.853 60.524 61.300 0.128 0.000 1.057 1085 I CB 1.306 39.383 38.000 0.128 0.000 1.240 1085 I HN 0.457 nan 8.210 nan 0.000 0.423 1086 F N 7.031 126.742 119.950 -0.398 0.000 2.607 1086 F HA 0.242 4.769 4.527 0.001 0.000 0.374 1086 F C -0.700 175.074 175.800 -0.044 0.000 1.104 1086 F CA 0.472 58.198 58.000 -0.456 0.000 1.296 1086 F CB 0.101 38.823 39.000 -0.463 0.000 1.085 1086 F HN 0.341 nan 8.300 nan 0.000 0.584 1087 F N 5.323 124.845 119.950 -0.714 0.000 2.749 1087 F HA 0.543 5.070 4.527 0.001 0.000 0.339 1087 F C -0.597 174.949 175.800 -0.423 0.000 1.211 1087 F CA -0.213 57.551 58.000 -0.393 0.000 1.099 1087 F CB 0.990 39.862 39.000 -0.212 0.000 1.359 1087 F HN 0.759 nan 8.300 nan 0.000 0.549 1088 G N 4.808 113.649 108.800 0.068 0.000 2.441 1088 G HA2 0.462 4.422 3.960 0.001 0.000 0.294 1088 G HA3 0.462 4.422 3.960 0.001 0.000 0.294 1088 G C -3.488 171.428 174.900 0.026 0.000 1.393 1088 G CA -1.013 44.110 45.100 0.039 0.000 0.796 1088 G HN 0.246 nan 8.290 nan 0.000 0.494 1089 P HA 0.428 nan 4.420 nan 0.000 0.272 1089 P C -0.656 176.688 177.300 0.074 0.000 1.230 1089 P CA 0.300 63.432 63.100 0.053 0.000 0.788 1089 P CB 1.321 33.045 31.700 0.039 0.000 0.949 1090 T N 1.137 115.762 114.554 0.119 0.000 3.193 1090 T HA 0.136 4.486 4.350 0.001 0.000 0.332 1090 T C -1.327 173.472 174.700 0.166 0.000 1.208 1090 T CA -0.253 61.905 62.100 0.096 0.000 1.080 1090 T CB 0.453 69.371 68.868 0.083 0.000 1.180 1090 T HN 0.195 nan 8.240 nan 0.000 0.469 1091 Y N 3.224 123.488 120.300 -0.060 0.000 2.537 1091 Y HA 0.438 4.988 4.550 0.001 0.000 0.339 1091 Y C -0.950 174.928 175.900 -0.036 0.000 1.066 1091 Y CA -0.442 57.657 58.100 -0.001 0.000 1.357 1091 Y CB 0.039 38.481 38.460 -0.030 0.000 1.175 1091 Y HN 0.585 nan 8.280 nan 0.000 0.525 1092 Y N 3.985 124.208 120.300 -0.129 0.000 2.429 1092 Y HA 0.391 4.941 4.550 0.001 0.000 0.342 1092 Y C -0.176 175.708 175.900 -0.027 0.000 1.004 1092 Y CA -0.767 57.324 58.100 -0.016 0.000 1.075 1092 Y CB 1.555 40.086 38.460 0.119 0.000 1.214 1092 Y HN 0.463 nan 8.280 nan 0.000 0.455 1093 Q N 2.618 122.506 119.800 0.146 0.000 2.245 1093 Q HA 0.423 4.763 4.340 0.001 0.000 0.256 1093 Q C -0.719 175.322 176.000 0.068 0.000 0.942 1093 Q CA -1.073 54.789 55.803 0.098 0.000 0.896 1093 Q CB 2.024 30.796 28.738 0.056 0.000 1.272 1093 Q HN 0.484 nan 8.270 nan 0.000 0.442 1094 R N 3.321 123.823 120.500 0.003 0.000 2.280 1094 R HA 0.281 4.622 4.340 0.001 0.000 0.326 1094 R C -0.925 175.223 176.300 -0.253 0.000 1.080 1094 R CA -0.253 55.689 56.100 -0.263 0.000 1.002 1094 R CB -0.070 30.114 30.300 -0.194 0.000 1.136 1094 R HN 0.561 nan 8.270 nan 0.000 0.509 1095 L N 3.914 124.969 121.223 -0.280 0.000 2.473 1095 L HA 0.253 4.593 4.340 0.001 0.000 0.268 1095 L C 1.307 177.999 176.870 -0.296 0.000 1.215 1095 L CA -0.424 54.303 54.840 -0.188 0.000 0.823 1095 L CB 0.281 42.303 42.059 -0.061 0.000 1.099 1095 L HN 0.657 nan 8.230 nan 0.000 0.483 1096 R N 0.154 120.439 120.500 -0.359 0.000 3.228 1096 R HA 0.146 4.486 4.340 0.001 0.000 0.219 1096 R C -0.568 175.452 176.300 -0.467 0.000 1.071 1096 R CA -0.391 55.422 56.100 -0.478 0.000 1.103 1096 R CB -0.064 29.877 30.300 -0.598 0.000 0.854 1096 R HN 0.689 nan 8.270 nan 0.000 0.479 1097 H N -1.262 117.660 119.070 -0.247 0.000 3.113 1097 H HA -0.100 4.457 4.556 0.001 0.000 0.358 1097 H C -1.047 174.133 175.328 -0.246 0.000 1.239 1097 H CA 0.892 56.808 56.048 -0.220 0.000 1.199 1097 H CB -1.740 27.908 29.762 -0.190 0.000 1.577 1097 H HN 0.510 nan 8.280 nan 0.000 0.430 1098 M N 0.674 120.173 119.600 -0.167 0.000 2.508 1098 M HA 0.279 4.759 4.480 0.001 0.000 0.327 1098 M C 1.800 178.017 176.300 -0.138 0.000 1.160 1098 M CA -0.808 54.380 55.300 -0.186 0.000 0.980 1098 M CB 2.239 34.695 32.600 -0.239 0.000 1.693 1098 M HN 0.061 nan 8.290 nan 0.000 0.452 1099 V N 1.146 120.993 119.914 -0.113 0.000 2.215 1099 V HA -0.308 3.813 4.120 0.001 0.000 0.249 1099 V C 1.172 177.216 176.094 -0.083 0.000 1.054 1099 V CA 2.134 64.384 62.300 -0.083 0.000 1.012 1099 V CB -0.396 31.388 31.823 -0.065 0.000 0.639 1099 V HN 0.876 nan 8.190 nan 0.000 0.448 1100 D N 0.130 120.477 120.400 -0.089 0.000 2.429 1100 D HA -0.112 4.529 4.640 0.001 0.000 0.237 1100 D C 0.988 177.227 176.300 -0.102 0.000 1.045 1100 D CA 0.770 54.721 54.000 -0.083 0.000 0.974 1100 D CB -0.301 40.450 40.800 -0.081 0.000 0.871 1100 D HN 0.541 nan 8.370 nan 0.000 0.525 1101 D N -0.979 119.350 120.400 -0.118 0.000 2.433 1101 D HA 0.095 4.735 4.640 0.001 0.000 0.211 1101 D C 1.455 177.696 176.300 -0.097 0.000 1.114 1101 D CA 0.096 54.014 54.000 -0.136 0.000 0.837 1101 D CB 0.705 41.388 40.800 -0.195 0.000 0.984 1101 D HN 0.217 nan 8.370 nan 0.000 0.505 1102 K N -0.081 120.279 120.400 -0.067 0.000 2.485 1102 K HA 0.226 4.546 4.320 0.001 0.000 0.200 1102 K C 1.003 177.606 176.600 0.006 0.000 1.344 1102 K CA -0.369 55.895 56.287 -0.037 0.000 0.948 1102 K CB 1.215 33.692 32.500 -0.038 0.000 1.454 1102 K HN -0.064 nan 8.250 nan 0.000 0.502 1103 I N 3.414 123.985 120.570 0.001 0.000 3.089 1103 I HA -0.218 3.952 4.170 0.001 0.000 0.321 1103 I C -0.857 175.323 176.117 0.105 0.000 1.222 1103 I CA 0.997 62.315 61.300 0.030 0.000 1.452 1103 I CB 0.089 38.091 38.000 0.002 0.000 1.321 1103 I HN 0.281 nan 8.210 nan 0.000 0.539 1104 H N 6.300 125.354 119.070 -0.027 0.000 3.087 1104 H HA 0.737 5.293 4.556 0.001 0.000 0.348 1104 H C -1.749 173.570 175.328 -0.015 0.000 1.092 1104 H CA -0.212 55.823 56.048 -0.021 0.000 1.285 1104 H CB 1.428 31.177 29.762 -0.022 0.000 1.875 1104 H HN 0.689 nan 8.280 nan 0.000 0.512 1105 A N 4.986 127.710 122.820 -0.161 0.000 2.449 1105 A HA 0.769 5.089 4.320 0.001 0.000 0.302 1105 A C -1.068 176.399 177.584 -0.194 0.000 1.048 1105 A CA -0.784 51.096 52.037 -0.262 0.000 0.708 1105 A CB 1.591 20.534 19.000 -0.095 0.000 1.274 1105 A HN 0.826 nan 8.150 nan 0.000 0.410 1106 R N 1.010 121.381 120.500 -0.214 0.000 2.725 1106 R HA 0.800 5.141 4.340 0.001 0.000 0.277 1106 R C -1.437 174.825 176.300 -0.063 0.000 0.987 1106 R CA -0.115 55.937 56.100 -0.080 0.000 0.901 1106 R CB 2.077 32.350 30.300 -0.046 0.000 1.207 1106 R HN 1.490 nan 8.270 nan 0.000 0.463 1107 A N 3.744 126.546 122.820 -0.029 0.000 2.611 1107 A HA 0.426 4.747 4.320 0.001 0.000 0.282 1107 A C -0.794 176.781 177.584 -0.016 0.000 1.114 1107 A CA -0.516 51.504 52.037 -0.028 0.000 0.800 1107 A CB 0.757 19.743 19.000 -0.023 0.000 1.325 1107 A HN 0.967 nan 8.150 nan 0.000 0.411 1108 R N 0.848 121.337 120.500 -0.019 0.000 2.532 1108 R HA -0.150 4.191 4.340 0.001 0.000 0.317 1108 R C 0.232 176.529 176.300 -0.005 0.000 1.026 1108 R CA 1.075 57.166 56.100 -0.014 0.000 0.846 1108 R CB -1.137 29.155 30.300 -0.013 0.000 2.375 1108 R HN 1.747 nan 8.270 nan 0.000 0.497 1109 G N 3.432 112.230 108.800 -0.002 0.000 3.251 1109 G HA2 0.721 4.681 3.960 0.001 0.000 0.248 1109 G HA3 0.721 4.681 3.960 0.001 0.000 0.248 1109 G C -2.579 172.318 174.900 -0.005 0.000 1.320 1109 G CA -0.800 44.303 45.100 0.004 0.000 0.982 1109 G HN 0.393 nan 8.290 nan 0.000 0.575 1110 P HA 0.145 nan 4.420 nan 0.000 0.268 1110 P C -0.697 176.590 177.300 -0.022 0.000 1.208 1110 P CA 0.427 63.516 63.100 -0.018 0.000 0.777 1110 P CB 0.799 32.488 31.700 -0.019 0.000 0.875 1111 M N 0.703 120.282 119.600 -0.035 0.000 2.662 1111 M HA 0.336 4.816 4.480 0.001 0.000 0.310 1111 M C 0.534 176.802 176.300 -0.054 0.000 1.204 1111 M CA -0.998 54.273 55.300 -0.048 0.000 0.891 1111 M CB 1.728 34.287 32.600 -0.067 0.000 1.732 1111 M HN 0.411 nan 8.290 nan 0.000 0.467 1112 Q N 0.297 120.062 119.800 -0.057 0.000 2.722 1112 Q HA 0.168 4.509 4.340 0.001 0.000 0.214 1112 Q C 0.552 176.505 176.000 -0.078 0.000 1.109 1112 Q CA 0.154 55.924 55.803 -0.055 0.000 1.066 1112 Q CB 0.895 29.604 28.738 -0.047 0.000 1.290 1112 Q HN 0.574 nan 8.270 nan 0.000 0.620 1113 V N 0.530 120.405 119.914 -0.066 0.000 2.788 1113 V HA -0.034 4.086 4.120 0.001 0.000 0.241 1113 V C 1.663 177.705 176.094 -0.087 0.000 1.083 1113 V CA 0.693 62.947 62.300 -0.077 0.000 1.103 1113 V CB -0.700 31.095 31.823 -0.047 0.000 0.800 1113 V HN 0.729 nan 8.190 nan 0.000 0.476 1114 L N 1.606 122.799 121.223 -0.051 0.000 1.993 1114 L HA -0.077 4.263 4.340 0.001 0.000 0.206 1114 L C 2.609 179.478 176.870 -0.002 0.000 1.074 1114 L CA 2.894 57.723 54.840 -0.019 0.000 0.746 1114 L CB -0.760 41.297 42.059 -0.003 0.000 0.896 1114 L HN 0.546 nan 8.230 nan 0.000 0.435 1115 T N -3.406 111.138 114.554 -0.017 0.000 3.113 1115 T HA 0.012 4.363 4.350 0.001 0.000 0.256 1115 T C 1.008 175.652 174.700 -0.094 0.000 1.131 1115 T CA 0.070 62.181 62.100 0.018 0.000 1.074 1115 T CB -0.372 68.501 68.868 0.009 0.000 0.944 1115 T HN 0.453 nan 8.240 nan 0.000 0.516 1116 R N 0.959 121.323 120.500 -0.227 0.000 3.627 1116 R HA -0.147 4.193 4.340 0.001 0.000 0.281 1116 R C -0.340 175.860 176.300 -0.166 0.000 1.140 1116 R CA 0.612 56.520 56.100 -0.321 0.000 0.761 1116 R CB -2.096 27.748 30.300 -0.759 0.000 1.181 1116 R HN 0.665 nan 8.270 nan 0.000 0.472 1117 Q N -0.310 119.437 119.800 -0.089 0.000 2.306 1117 Q HA 0.449 4.790 4.340 0.001 0.000 0.269 1117 Q C -2.436 173.541 176.000 -0.037 0.000 1.053 1117 Q CA -2.312 53.464 55.803 -0.045 0.000 0.879 1117 Q CB 1.477 30.203 28.738 -0.020 0.000 1.344 1117 Q HN -0.121 nan 8.270 nan 0.000 0.464 1118 P HA -0.066 nan 4.420 nan 0.000 0.268 1118 P C -0.573 176.723 177.300 -0.006 0.000 1.205 1118 P CA -0.050 63.043 63.100 -0.012 0.000 0.771 1118 P CB 0.373 32.071 31.700 -0.002 0.000 0.858 1119 V N 0.611 120.523 119.914 -0.003 0.000 3.185 1119 V HA 0.247 4.367 4.120 0.001 0.000 0.305 1119 V C 0.232 176.332 176.094 0.011 0.000 1.090 1119 V CA -0.366 61.932 62.300 -0.002 0.000 1.107 1119 V CB 0.529 32.348 31.823 -0.007 0.000 1.061 1119 V HN 0.541 nan 8.190 nan 0.000 0.480 1120 E N 1.355 121.557 120.200 0.005 0.000 2.231 1120 E HA 0.587 4.937 4.350 0.001 0.000 0.277 1120 E C -0.034 176.565 176.600 -0.002 0.000 0.999 1120 E CA 0.003 56.408 56.400 0.009 0.000 0.827 1120 E CB 1.166 30.867 29.700 0.001 0.000 1.101 1120 E HN 1.853 nan 8.360 nan 0.000 0.393 1121 G N 3.743 112.543 108.800 -0.001 0.000 3.444 1121 G HA2 -0.192 3.769 3.960 0.001 0.000 0.685 1121 G HA3 -0.192 3.769 3.960 0.001 0.000 0.685 1121 G C 0.293 175.120 174.900 -0.120 0.000 1.145 1121 G CA -0.030 45.044 45.100 -0.043 0.000 0.973 1121 G HN 0.711 nan 8.290 nan 0.000 0.525 1122 R N 1.327 121.692 120.500 -0.225 0.000 2.159 1122 R HA -0.160 4.181 4.340 0.001 0.000 0.237 1122 R C 2.602 178.654 176.300 -0.414 0.000 1.131 1122 R CA 2.726 58.446 56.100 -0.633 0.000 0.982 1122 R CB -0.347 29.660 30.300 -0.490 0.000 0.868 1122 R HN 0.975 nan 8.270 nan 0.000 0.453 1123 S N 0.245 115.819 115.700 -0.211 0.000 2.383 1123 S HA -0.082 4.388 4.470 0.001 0.000 0.227 1123 S C 1.788 176.329 174.600 -0.098 0.000 1.026 1123 S CA 0.800 58.922 58.200 -0.129 0.000 0.981 1123 S CB -0.180 62.970 63.200 -0.083 0.000 0.818 1123 S HN 0.429 nan 8.310 nan 0.000 0.472 1124 R N 0.908 121.355 120.500 -0.088 0.000 2.359 1124 R HA 0.164 4.504 4.340 0.001 0.000 0.231 1124 R C -0.330 175.946 176.300 -0.040 0.000 0.913 1124 R CA 0.530 56.599 56.100 -0.051 0.000 1.075 1124 R CB -0.133 30.148 30.300 -0.033 0.000 1.087 1124 R HN 0.457 nan 8.270 nan 0.000 0.515 1125 D N -0.298 120.059 120.400 -0.072 0.000 2.716 1125 D HA -0.122 4.519 4.640 0.001 0.000 0.239 1125 D C -0.088 176.267 176.300 0.092 0.000 1.125 1125 D CA 0.947 54.956 54.000 0.015 0.000 0.681 1125 D CB -0.898 39.917 40.800 0.025 0.000 1.070 1125 D HN 0.410 nan 8.370 nan 0.000 0.432 1126 G N -0.839 108.024 108.800 0.105 0.000 2.537 1126 G HA2 0.715 4.675 3.960 0.001 0.000 0.297 1126 G HA3 0.715 4.675 3.960 0.001 0.000 0.297 1126 G C 0.552 175.560 174.900 0.180 0.000 1.310 1126 G CA -0.304 44.863 45.100 0.111 0.000 1.027 1126 G HN 0.494 nan 8.290 nan 0.000 0.505 1127 G N -1.625 107.227 108.800 0.088 0.000 2.491 1127 G HA2 0.551 4.511 3.960 0.001 0.000 0.327 1127 G HA3 0.551 4.511 3.960 0.001 0.000 0.327 1127 G C -0.088 174.842 174.900 0.052 0.000 1.189 1127 G CA -0.845 44.280 45.100 0.041 0.000 0.956 1127 G HN 0.572 nan 8.290 nan 0.000 0.491 1128 L N -0.504 120.730 121.223 0.019 0.000 2.479 1128 L HA 0.483 4.823 4.340 0.001 0.000 0.249 1128 L C 0.917 177.822 176.870 0.060 0.000 1.178 1128 L CA -0.774 54.090 54.840 0.042 0.000 0.811 1128 L CB 0.653 42.729 42.059 0.028 0.000 1.187 1128 L HN 0.411 nan 8.230 nan 0.000 0.480 1129 R N 0.699 121.236 120.500 0.063 0.000 2.255 1129 R HA 0.249 4.589 4.340 0.001 0.000 0.326 1129 R C -1.278 175.087 176.300 0.109 0.000 0.986 1129 R CA -0.535 55.606 56.100 0.069 0.000 0.847 1129 R CB 0.660 30.977 30.300 0.027 0.000 1.111 1129 R HN 0.384 nan 8.270 nan 0.000 0.452 1130 F N 5.107 125.045 119.950 -0.021 0.000 2.406 1130 F HA 0.393 4.921 4.527 0.001 0.000 0.358 1130 F C 0.347 176.134 175.800 -0.021 0.000 1.161 1130 F CA -0.356 57.632 58.000 -0.020 0.000 1.185 1130 F CB 0.490 39.465 39.000 -0.041 0.000 1.421 1130 F HN 0.655 nan 8.300 nan 0.000 0.576 1131 G N 3.850 112.510 108.800 -0.234 0.000 2.510 1131 G HA2 0.118 4.079 3.960 0.001 0.000 0.280 1131 G HA3 0.118 4.079 3.960 0.001 0.000 0.280 1131 G C 0.707 175.453 174.900 -0.257 0.000 1.386 1131 G CA -0.341 44.650 45.100 -0.181 0.000 1.047 1131 G HN 0.580 nan 8.290 nan 0.000 0.527 1132 E N -0.785 119.321 120.200 -0.157 0.000 2.049 1132 E HA -0.209 4.141 4.350 0.001 0.000 0.198 1132 E C 2.616 179.113 176.600 -0.173 0.000 1.007 1132 E CA 1.577 57.895 56.400 -0.138 0.000 0.809 1132 E CB -0.181 29.465 29.700 -0.089 0.000 0.749 1132 E HN 0.446 nan 8.360 nan 0.000 0.450 1133 M N 0.273 119.772 119.600 -0.168 0.000 2.175 1133 M HA -0.153 4.327 4.480 0.001 0.000 0.264 1133 M C 1.990 178.157 176.300 -0.221 0.000 1.063 1133 M CA 1.260 56.466 55.300 -0.157 0.000 1.119 1133 M CB -0.236 32.292 32.600 -0.120 0.000 1.377 1133 M HN -0.055 nan 8.290 nan 0.000 0.415 1134 E N 0.224 120.205 120.200 -0.365 0.000 2.150 1134 E HA -0.127 4.224 4.350 0.001 0.000 0.193 1134 E C 1.957 178.204 176.600 -0.589 0.000 0.985 1134 E CA 0.879 56.955 56.400 -0.541 0.000 0.814 1134 E CB -0.361 28.772 29.700 -0.945 0.000 0.752 1134 E HN 0.333 nan 8.360 nan 0.000 0.466 1135 R N 0.937 121.101 120.500 -0.559 0.000 2.073 1135 R HA -0.165 4.175 4.340 0.001 0.000 0.234 1135 R C 0.950 177.211 176.300 -0.065 0.000 1.134 1135 R CA 1.748 57.722 56.100 -0.209 0.000 0.952 1135 R CB -0.199 30.030 30.300 -0.118 0.000 0.850 1135 R HN 0.129 nan 8.270 nan 0.000 0.433 1136 D N 0.204 120.545 120.400 -0.099 0.000 2.182 1136 D HA -0.159 4.481 4.640 0.001 0.000 0.201 1136 D C 1.938 178.204 176.300 -0.057 0.000 0.986 1136 D CA 1.067 55.029 54.000 -0.062 0.000 0.847 1136 D CB -0.475 40.281 40.800 -0.074 0.000 0.942 1136 D HN 0.309 nan 8.370 nan 0.000 0.467 1137 C N 0.510 119.771 119.300 -0.065 0.000 2.476 1137 C HA -0.042 4.418 4.460 0.001 0.000 0.278 1137 C C 2.637 177.616 174.990 -0.018 0.000 1.274 1137 C CA 0.244 59.212 59.018 -0.082 0.000 1.713 1137 C CB -0.561 27.149 27.740 -0.049 0.000 2.039 1137 C HN 0.318 nan 8.230 nan 0.000 0.484 1138 M N 0.669 120.369 119.600 0.167 0.000 2.159 1138 M HA -0.064 4.417 4.480 0.001 0.000 0.263 1138 M C 1.917 178.322 176.300 0.175 0.000 1.063 1138 M CA 1.469 56.945 55.300 0.293 0.000 1.110 1138 M CB -1.357 31.505 32.600 0.435 0.000 1.374 1138 M HN 0.370 nan 8.290 nan 0.000 0.411 1139 I N 0.080 120.707 120.570 0.096 0.000 2.179 1139 I HA -0.278 3.893 4.170 0.001 0.000 0.242 1139 I C 2.562 178.694 176.117 0.026 0.000 1.088 1139 I CA 1.222 62.557 61.300 0.058 0.000 1.357 1139 I CB -0.629 37.387 38.000 0.027 0.000 1.051 1139 I HN 0.232 nan 8.210 nan 0.000 0.409 1140 A N 0.228 123.026 122.820 -0.037 0.000 1.883 1140 A HA -0.268 4.052 4.320 0.001 0.000 0.217 1140 A C 2.169 179.722 177.584 -0.051 0.000 1.186 1140 A CA 1.754 53.738 52.037 -0.088 0.000 0.624 1140 A CB -0.957 17.929 19.000 -0.190 0.000 0.822 1140 A HN 0.427 nan 8.150 nan 0.000 0.444 1141 H N -1.137 117.955 119.070 0.037 0.000 2.457 1141 H HA 0.064 4.620 4.556 0.001 0.000 0.294 1141 H C 1.850 177.196 175.328 0.031 0.000 1.064 1141 H CA 0.921 56.987 56.048 0.029 0.000 1.330 1141 H CB -0.372 29.411 29.762 0.035 0.000 1.395 1141 H HN 0.705 nan 8.280 nan 0.000 0.541 1142 G N -0.219 108.676 108.800 0.158 0.000 2.136 1142 G HA2 -0.256 3.705 3.960 0.001 0.000 0.242 1142 G HA3 -0.256 3.705 3.960 0.001 0.000 0.242 1142 G C 0.643 175.611 174.900 0.113 0.000 0.989 1142 G CA 0.383 45.547 45.100 0.106 0.000 0.682 1142 G HN 0.691 nan 8.290 nan 0.000 0.522 1143 A N 0.144 123.061 122.820 0.161 0.000 3.063 1143 A HA 0.783 5.103 4.320 0.001 0.000 0.263 1143 A C 1.897 179.582 177.584 0.168 0.000 1.736 1143 A CA 1.049 53.182 52.037 0.159 0.000 1.408 1143 A CB -0.538 18.583 19.000 0.201 0.000 1.108 1143 A HN 1.824 nan 8.150 nan 0.000 0.621 1144 A N 0.985 123.872 122.820 0.112 0.000 1.869 1144 A HA -0.173 4.148 4.320 0.001 0.000 0.218 1144 A C 2.518 180.151 177.584 0.080 0.000 1.203 1144 A CA 2.527 54.615 52.037 0.086 0.000 0.638 1144 A CB -0.900 18.136 19.000 0.059 0.000 0.831 1144 A HN 0.651 nan 8.150 nan 0.000 0.450 1145 S N -1.050 114.699 115.700 0.082 0.000 2.348 1145 S HA -0.142 4.329 4.470 0.001 0.000 0.221 1145 S C 1.702 176.349 174.600 0.079 0.000 1.033 1145 S CA 1.395 59.634 58.200 0.065 0.000 1.010 1145 S CB -0.670 62.568 63.200 0.063 0.000 0.891 1145 S HN 0.593 nan 8.310 nan 0.000 0.442 1146 F N 2.246 122.184 119.950 -0.019 0.000 2.192 1146 F HA -0.107 4.420 4.527 0.001 0.000 0.301 1146 F C 1.885 177.647 175.800 -0.063 0.000 1.079 1146 F CA 0.888 58.859 58.000 -0.047 0.000 1.303 1146 F CB -0.333 38.644 39.000 -0.040 0.000 1.024 1146 F HN 0.131 nan 8.300 nan 0.000 0.494 1147 L N 0.305 121.507 121.223 -0.034 0.000 2.027 1147 L HA -0.206 4.135 4.340 0.001 0.000 0.206 1147 L C 2.672 179.453 176.870 -0.148 0.000 1.074 1147 L CA 1.598 56.386 54.840 -0.088 0.000 0.745 1147 L CB -0.616 41.493 42.059 0.083 0.000 0.898 1147 L HN 0.074 nan 8.230 nan 0.000 0.433 1148 K N 0.275 120.627 120.400 -0.080 0.000 2.209 1148 K HA -0.237 4.083 4.320 0.001 0.000 0.204 1148 K C 1.768 178.289 176.600 -0.131 0.000 1.048 1148 K CA 1.375 57.620 56.287 -0.070 0.000 0.940 1148 K CB 0.014 32.499 32.500 -0.026 0.000 0.729 1148 K HN 0.441 nan 8.250 nan 0.000 0.451 1149 E N 0.064 120.143 120.200 -0.202 0.000 2.028 1149 E HA -0.157 4.194 4.350 0.001 0.000 0.191 1149 E C 2.070 178.471 176.600 -0.332 0.000 0.988 1149 E CA 0.643 56.901 56.400 -0.237 0.000 0.799 1149 E CB 0.130 29.691 29.700 -0.232 0.000 0.755 1149 E HN 0.124 nan 8.360 nan 0.000 0.447 1150 R N 0.403 120.560 120.500 -0.570 0.000 2.097 1150 R HA -0.176 4.165 4.340 0.001 0.000 0.236 1150 R C 2.361 178.495 176.300 -0.277 0.000 1.135 1150 R CA 0.979 56.733 56.100 -0.576 0.000 0.934 1150 R CB -1.102 28.609 30.300 -0.982 0.000 0.846 1150 R HN 0.215 nan 8.270 nan 0.000 0.431 1151 L N -0.071 121.045 121.223 -0.179 0.000 2.131 1151 L HA -0.119 4.222 4.340 0.001 0.000 0.210 1151 L C 2.186 179.026 176.870 -0.051 0.000 1.092 1151 L CA 1.612 56.414 54.840 -0.064 0.000 0.759 1151 L CB -0.577 41.470 42.059 -0.020 0.000 0.903 1151 L HN 0.153 nan 8.230 nan 0.000 0.435 1152 M N -1.638 117.920 119.600 -0.070 0.000 2.643 1152 M HA 0.058 4.538 4.480 0.001 0.000 0.209 1152 M C 2.112 178.379 176.300 -0.056 0.000 1.328 1152 M CA 0.555 55.830 55.300 -0.042 0.000 1.305 1152 M CB -1.004 31.575 32.600 -0.034 0.000 1.048 1152 M HN -0.095 nan 8.290 nan 0.000 0.504 1153 E N 1.503 121.655 120.200 -0.080 0.000 2.114 1153 E HA -0.125 4.225 4.350 0.001 0.000 0.199 1153 E C 1.433 177.988 176.600 -0.076 0.000 1.008 1153 E CA 1.843 58.196 56.400 -0.078 0.000 0.810 1153 E CB -0.438 29.211 29.700 -0.085 0.000 0.739 1153 E HN 0.535 nan 8.360 nan 0.000 0.456 1154 A N -0.963 121.794 122.820 -0.105 0.000 2.412 1154 A HA 0.392 4.712 4.320 0.001 0.000 0.253 1154 A C 1.042 178.578 177.584 -0.080 0.000 1.334 1154 A CA 0.665 52.640 52.037 -0.104 0.000 0.929 1154 A CB 0.044 18.949 19.000 -0.158 0.000 0.983 1154 A HN 0.114 nan 8.150 nan 0.000 0.508 1155 S N -1.893 113.774 115.700 -0.054 0.000 5.078 1155 S HA 0.088 4.558 4.470 0.001 0.000 0.180 1155 S C -0.010 174.584 174.600 -0.009 0.000 1.330 1155 S CA 0.257 58.438 58.200 -0.031 0.000 0.972 1155 S CB -0.507 62.676 63.200 -0.028 0.000 2.034 1155 S HN 0.302 nan 8.310 nan 0.000 0.615 1156 D N 1.435 121.842 120.400 0.012 0.000 1.706 1156 D HA 0.310 4.950 4.640 0.001 0.000 0.299 1156 D C 0.680 177.037 176.300 0.095 0.000 1.173 1156 D CA 1.820 55.854 54.000 0.057 0.000 1.020 1156 D CB -0.939 39.910 40.800 0.081 0.000 1.690 1156 D HN 1.268 nan 8.370 nan 0.000 0.585 1157 A N -0.181 122.717 122.820 0.130 0.000 1.563 1157 A HA -0.126 4.194 4.320 0.001 0.000 0.268 1157 A C -0.561 177.189 177.584 0.278 0.000 1.078 1157 A CA 0.404 52.531 52.037 0.151 0.000 0.560 1157 A CB -1.788 17.242 19.000 0.049 0.000 1.588 1157 A HN 0.314 nan 8.150 nan 0.000 0.222 1158 F N 2.749 122.780 119.950 0.135 0.000 2.640 1158 F HA 0.846 5.373 4.527 0.001 0.000 0.324 1158 F C 0.317 176.215 175.800 0.164 0.000 1.077 1158 F CA -1.089 57.012 58.000 0.169 0.000 0.965 1158 F CB 1.429 40.577 39.000 0.248 0.000 1.351 1158 F HN 0.653 nan 8.300 nan 0.000 0.487 1159 R N 3.929 124.064 120.500 -0.608 0.000 2.443 1159 R HA 0.459 4.800 4.340 0.001 0.000 0.287 1159 R C -1.755 174.181 176.300 -0.606 0.000 1.425 1159 R CA -0.283 55.564 56.100 -0.422 0.000 1.300 1159 R CB 0.277 30.414 30.300 -0.272 0.000 1.129 1159 R HN 0.561 nan 8.270 nan 0.000 0.577 1160 V N 0.501 120.236 119.914 -0.299 0.000 2.997 1160 V HA 0.491 4.612 4.120 0.001 0.000 0.311 1160 V C 0.211 176.159 176.094 -0.243 0.000 1.066 1160 V CA -0.739 61.460 62.300 -0.168 0.000 1.039 1160 V CB 1.564 33.452 31.823 0.108 0.000 1.081 1160 V HN 0.493 nan 8.190 nan 0.000 0.467 1161 H N 1.876 120.972 119.070 0.044 0.000 2.504 1161 H HA 0.581 5.138 4.556 0.001 0.000 0.322 1161 H C -0.439 174.940 175.328 0.085 0.000 1.055 1161 H CA -0.320 55.778 56.048 0.082 0.000 1.231 1161 H CB 1.815 31.650 29.762 0.122 0.000 1.417 1161 H HN 0.582 nan 8.280 nan 0.000 0.472 1162 I N 1.814 122.514 120.570 0.217 0.000 2.664 1162 I HA 0.087 4.257 4.170 0.001 0.000 0.308 1162 I C 0.487 176.702 176.117 0.164 0.000 0.984 1162 I CA -0.624 60.770 61.300 0.157 0.000 1.213 1162 I CB 1.688 39.774 38.000 0.144 0.000 1.379 1162 I HN 0.505 nan 8.210 nan 0.000 0.501 1163 C N 3.737 123.109 119.300 0.120 0.000 2.330 1163 C HA 0.502 4.962 4.460 0.001 0.000 0.344 1163 C C 1.609 176.711 174.990 0.185 0.000 1.273 1163 C CA -0.412 58.672 59.018 0.109 0.000 1.879 1163 C CB 0.145 27.934 27.740 0.080 0.000 2.376 1163 C HN 1.007 nan 8.230 nan 0.000 0.534 1164 G N 4.115 113.013 108.800 0.163 0.000 2.679 1164 G HA2 0.021 3.981 3.960 0.001 0.000 0.212 1164 G HA3 0.021 3.981 3.960 0.001 0.000 0.212 1164 G C 0.952 176.017 174.900 0.276 0.000 1.137 1164 G CA 0.930 46.210 45.100 0.300 0.000 0.787 1164 G HN 0.836 nan 8.290 nan 0.000 0.534 1165 I N 0.311 121.007 120.570 0.209 0.000 3.325 1165 I HA 0.101 4.271 4.170 0.001 0.000 0.237 1165 I C 1.242 177.538 176.117 0.298 0.000 1.068 1165 I CA -0.108 61.299 61.300 0.178 0.000 1.511 1165 I CB -0.529 37.527 38.000 0.093 0.000 1.409 1165 I HN 0.143 nan 8.210 nan 0.000 0.464 1166 C N 1.804 121.227 119.300 0.205 0.000 2.452 1166 C HA 0.610 5.070 4.460 0.001 0.000 0.379 1166 C C 1.413 176.447 174.990 0.073 0.000 1.275 1166 C CA -1.006 58.112 59.018 0.168 0.000 2.056 1166 C CB -0.153 27.632 27.740 0.075 0.000 2.506 1166 C HN 0.635 nan 8.230 nan 0.000 0.560 1167 G N 3.106 111.794 108.800 -0.187 0.000 3.375 1167 G HA2 0.309 4.270 3.960 0.001 0.000 0.247 1167 G HA3 0.309 4.270 3.960 0.001 0.000 0.247 1167 G C 0.202 174.926 174.900 -0.294 0.000 1.343 1167 G CA -0.238 44.528 45.100 -0.556 0.000 1.368 1167 G HN 0.769 nan 8.290 nan 0.000 0.549 1168 L N -0.483 120.665 121.223 -0.126 0.000 2.416 1168 L HA 0.412 4.753 4.340 0.001 0.000 0.262 1168 L C 1.112 177.967 176.870 -0.025 0.000 1.093 1168 L CA -0.702 54.090 54.840 -0.080 0.000 0.801 1168 L CB 1.427 43.465 42.059 -0.035 0.000 1.191 1168 L HN 0.110 nan 8.230 nan 0.000 0.459 1169 M N 1.082 120.680 119.600 -0.003 0.000 3.242 1169 M HA 0.112 4.593 4.480 0.001 0.000 0.250 1169 M C 0.324 176.658 176.300 0.058 0.000 1.239 1169 M CA 0.003 55.331 55.300 0.047 0.000 1.205 1169 M CB -0.339 32.299 32.600 0.064 0.000 1.189 1169 M HN 0.647 nan 8.290 nan 0.000 0.531 1170 T N -0.914 113.670 114.554 0.050 0.000 3.040 1170 T HA 0.073 4.423 4.350 0.001 0.000 0.252 1170 T C 0.945 175.675 174.700 0.050 0.000 1.064 1170 T CA 0.036 62.163 62.100 0.045 0.000 1.110 1170 T CB 0.195 69.083 68.868 0.033 0.000 0.921 1170 T HN 0.266 nan 8.240 nan 0.000 0.480 1171 V N 3.541 123.496 119.914 0.069 0.000 2.699 1171 V HA -0.101 4.020 4.120 0.001 0.000 0.296 1171 V C 0.721 176.818 176.094 0.006 0.000 1.030 1171 V CA 0.508 62.844 62.300 0.060 0.000 1.219 1171 V CB -0.782 31.117 31.823 0.125 0.000 0.848 1171 V HN 0.481 nan 8.190 nan 0.000 0.468 1172 I N 5.447 125.996 120.570 -0.035 0.000 2.204 1172 I HA 0.221 4.391 4.170 0.001 0.000 0.291 1172 I C 1.058 177.049 176.117 -0.211 0.000 1.153 1172 I CA 0.088 61.340 61.300 -0.079 0.000 1.546 1172 I CB -0.022 37.946 38.000 -0.053 0.000 1.490 1172 I HN 0.748 nan 8.210 nan 0.000 0.697 1173 A N 5.645 128.272 122.820 -0.323 0.000 2.362 1173 A HA 0.355 4.676 4.320 0.001 0.000 0.276 1173 A C 0.340 177.607 177.584 -0.529 0.000 1.153 1173 A CA -0.332 51.253 52.037 -0.753 0.000 0.813 1173 A CB 0.159 18.514 19.000 -1.075 0.000 1.081 1173 A HN 0.616 nan 8.150 nan 0.000 0.507 1174 K N 4.006 124.056 120.400 -0.583 0.000 2.800 1174 K HA 0.289 4.609 4.320 0.001 0.000 0.185 1174 K C -0.980 175.411 176.600 -0.349 0.000 1.082 1174 K CA -0.209 55.864 56.287 -0.356 0.000 0.978 1174 K CB 0.481 32.821 32.500 -0.266 0.000 1.364 1174 K HN 0.710 nan 8.250 nan 0.000 0.592 1175 L N 1.306 122.337 121.223 -0.320 0.000 2.865 1175 L HA -0.106 4.234 4.340 0.001 0.000 0.283 1175 L C 0.681 177.491 176.870 -0.100 0.000 1.101 1175 L CA 0.144 54.906 54.840 -0.130 0.000 1.061 1175 L CB -0.919 41.135 42.059 -0.008 0.000 1.437 1175 L HN 0.662 nan 8.230 nan 0.000 0.460 1176 N N 0.148 118.806 118.700 -0.071 0.000 2.541 1176 N HA -0.124 4.616 4.740 0.001 0.000 0.298 1176 N C 0.837 176.394 175.510 0.079 0.000 0.851 1176 N CA 0.021 53.026 53.050 -0.074 0.000 1.535 1176 N CB -0.098 38.200 38.487 -0.315 0.000 2.005 1176 N HN 0.547 nan 8.380 nan 0.000 1.477 1177 H N 2.116 121.181 119.070 -0.008 0.000 2.566 1177 H HA 0.360 4.916 4.556 0.001 0.000 0.280 1177 H C 0.566 175.911 175.328 0.030 0.000 1.042 1177 H CA 0.360 56.410 56.048 0.004 0.000 1.168 1177 H CB -0.792 28.963 29.762 -0.011 0.000 1.340 1177 H HN 0.388 nan 8.280 nan 0.000 0.597 1178 N N 0.723 119.515 118.700 0.152 0.000 2.758 1178 N HA -0.240 4.500 4.740 0.001 0.000 0.245 1178 N C -0.341 175.360 175.510 0.319 0.000 1.059 1178 N CA 0.757 53.949 53.050 0.236 0.000 0.900 1178 N CB -0.545 38.053 38.487 0.184 0.000 1.145 1178 N HN 0.594 nan 8.380 nan 0.000 0.590 1179 Q N -1.169 118.708 119.800 0.129 0.000 2.352 1179 Q HA 0.199 4.539 4.340 0.001 0.000 0.260 1179 Q C 0.586 176.553 176.000 -0.054 0.000 0.976 1179 Q CA 0.285 56.153 55.803 0.109 0.000 0.881 1179 Q CB 0.375 29.133 28.738 0.033 0.000 1.235 1179 Q HN 0.189 nan 8.270 nan 0.000 0.419 1180 F N -0.239 119.665 119.950 -0.077 0.000 2.423 1180 F HA 0.155 4.683 4.527 0.001 0.000 0.269 1180 F C 0.316 176.069 175.800 -0.079 0.000 0.880 1180 F CA 0.022 57.954 58.000 -0.115 0.000 1.134 1180 F CB 0.355 39.263 39.000 -0.153 0.000 1.143 1180 F HN 0.479 nan 8.300 nan 0.000 0.802 1181 E N -0.700 119.569 120.200 0.115 0.000 8.959 1181 E HA -0.316 4.034 4.350 0.001 0.000 0.467 1181 E C -0.692 175.930 176.600 0.037 0.000 1.281 1181 E CA 1.177 57.605 56.400 0.047 0.000 2.226 1181 E CB -0.656 29.052 29.700 0.013 0.000 1.018 1181 E HN 0.538 nan 8.360 nan 0.000 0.296 1182 C N 2.570 121.886 119.300 0.027 0.000 2.935 1182 C HA 0.157 4.617 4.460 0.001 0.000 0.305 1182 C C -0.712 174.291 174.990 0.021 0.000 1.832 1182 C CA -0.207 58.827 59.018 0.027 0.000 1.073 1182 C CB -0.857 26.905 27.740 0.036 0.000 2.024 1182 C HN 0.595 nan 8.230 nan 0.000 0.660 1183 K N 0.960 121.370 120.400 0.016 0.000 2.586 1183 K HA 0.422 4.742 4.320 0.001 0.000 0.280 1183 K C 1.337 177.946 176.600 0.016 0.000 0.972 1183 K CA 1.345 57.640 56.287 0.014 0.000 1.040 1183 K CB -0.161 32.346 32.500 0.011 0.000 0.870 1183 K HN 1.377 nan 8.250 nan 0.000 0.497 1184 G N 0.242 109.051 108.800 0.015 0.000 2.307 1184 G HA2 -0.271 3.689 3.960 0.001 0.000 0.210 1184 G HA3 -0.271 3.689 3.960 0.001 0.000 0.210 1184 G C 0.874 175.786 174.900 0.019 0.000 1.005 1184 G CA -0.022 45.088 45.100 0.016 0.000 0.634 1184 G HN 0.677 nan 8.290 nan 0.000 0.496 1185 C N 0.662 119.975 119.300 0.021 0.000 3.931 1185 C HA 0.484 4.945 4.460 0.001 0.000 0.378 1185 C C 0.519 175.522 174.990 0.020 0.000 1.554 1185 C CA 0.582 59.615 59.018 0.025 0.000 1.926 1185 C CB -0.068 27.692 27.740 0.034 0.000 2.837 1185 C HN 0.838 nan 8.230 nan 0.000 0.701 1186 D N 1.819 122.230 120.400 0.018 0.000 4.075 1186 D HA -0.148 4.492 4.640 0.001 0.000 0.228 1186 D C -0.098 176.210 176.300 0.014 0.000 1.057 1186 D CA 0.932 54.940 54.000 0.014 0.000 1.199 1186 D CB -0.489 40.317 40.800 0.011 0.000 0.777 1186 D HN 0.564 nan 8.370 nan 0.000 0.388 1187 N N 2.014 120.723 118.700 0.016 0.000 2.241 1187 N HA 0.340 5.081 4.740 0.001 0.000 0.124 1187 N C 0.323 175.840 175.510 0.011 0.000 1.667 1187 N CA 0.469 53.526 53.050 0.011 0.000 1.183 1187 N CB 0.485 38.980 38.487 0.013 0.000 1.254 1187 N HN 0.478 nan 8.380 nan 0.000 0.290 1188 K N -0.952 119.460 120.400 0.020 0.000 3.505 1188 K HA -0.070 4.250 4.320 0.001 0.000 0.255 1188 K C 0.610 177.200 176.600 -0.017 0.000 1.210 1188 K CA 0.711 57.018 56.287 0.034 0.000 0.959 1188 K CB -1.199 31.320 32.500 0.031 0.000 1.400 1188 K HN 0.315 nan 8.250 nan 0.000 0.544 1189 I N 0.079 120.620 120.570 -0.049 0.000 4.274 1189 I HA 0.033 4.203 4.170 0.001 0.000 0.246 1189 I C 0.310 176.334 176.117 -0.155 0.000 1.052 1189 I CA -0.310 60.933 61.300 -0.096 0.000 1.840 1189 I CB 0.265 38.226 38.000 -0.065 0.000 1.576 1189 I HN -0.027 nan 8.210 nan 0.000 0.451 1190 D N 2.861 123.183 120.400 -0.130 0.000 2.359 1190 D HA 0.290 4.931 4.640 0.001 0.000 0.273 1190 D C -0.755 175.380 176.300 -0.274 0.000 1.362 1190 D CA 0.871 54.751 54.000 -0.201 0.000 1.010 1190 D CB -0.133 40.614 40.800 -0.088 0.000 1.090 1190 D HN 0.082 nan 8.370 nan 0.000 0.521 1191 I N 3.233 123.505 120.570 -0.497 0.000 2.752 1191 I HA 0.308 4.478 4.170 0.001 0.000 0.295 1191 I C -1.057 174.659 176.117 -0.669 0.000 1.219 1191 I CA -0.947 60.098 61.300 -0.425 0.000 1.030 1191 I CB 1.647 39.529 38.000 -0.198 0.000 1.259 1191 I HN 0.197 nan 8.210 nan 0.000 0.423 1192 Y N 2.337 122.673 120.300 0.059 0.000 2.634 1192 Y HA 0.543 5.093 4.550 0.001 0.000 0.340 1192 Y C -0.442 175.537 175.900 0.132 0.000 1.058 1192 Y CA -0.907 57.225 58.100 0.052 0.000 1.081 1192 Y CB 1.693 40.167 38.460 0.023 0.000 1.295 1192 Y HN 0.463 nan 8.280 nan 0.000 0.487 1193 Q N 2.096 122.034 119.800 0.230 0.000 2.348 1193 Q HA 0.864 5.204 4.340 0.001 0.000 0.271 1193 Q C -1.289 174.636 176.000 -0.126 0.000 1.067 1193 Q CA -0.960 54.846 55.803 0.005 0.000 0.839 1193 Q CB 3.028 31.705 28.738 -0.101 0.000 1.354 1193 Q HN 0.750 nan 8.270 nan 0.000 0.447 1194 I N -2.316 118.112 120.570 -0.237 0.000 3.095 1194 I HA 0.517 4.687 4.170 0.001 0.000 0.310 1194 I C -1.271 174.657 176.117 -0.316 0.000 1.196 1194 I CA -1.267 59.891 61.300 -0.238 0.000 0.985 1194 I CB 2.720 40.679 38.000 -0.068 0.000 1.250 1194 I HN 0.646 nan 8.210 nan 0.000 0.446 1195 H N 4.878 123.948 119.070 -0.001 0.000 2.725 1195 H HA 0.611 5.167 4.556 0.001 0.000 0.283 1195 H C -0.699 174.655 175.328 0.044 0.000 1.110 1195 H CA -0.372 55.682 56.048 0.009 0.000 1.289 1195 H CB 1.234 30.998 29.762 0.002 0.000 1.400 1195 H HN 0.665 nan 8.280 nan 0.000 0.493 1196 I N 0.164 120.845 120.570 0.186 0.000 2.892 1196 I HA 0.595 4.765 4.170 0.001 0.000 0.306 1196 I C -2.695 173.513 176.117 0.152 0.000 1.078 1196 I CA -2.962 58.426 61.300 0.147 0.000 1.032 1196 I CB 2.969 41.057 38.000 0.145 0.000 1.229 1196 I HN 0.071 nan 8.210 nan 0.000 0.435 1197 P HA -0.041 nan 4.420 nan 0.000 0.271 1197 P C 0.144 177.486 177.300 0.070 0.000 1.233 1197 P CA 0.314 63.464 63.100 0.083 0.000 0.764 1197 P CB 0.452 32.168 31.700 0.025 0.000 0.825 1198 Y N 5.069 125.378 120.300 0.015 0.000 2.173 1198 Y HA -0.349 4.201 4.550 0.001 0.000 0.282 1198 Y C 2.399 178.204 175.900 -0.158 0.000 1.192 1198 Y CA 2.518 60.550 58.100 -0.115 0.000 1.176 1198 Y CB -0.625 37.714 38.460 -0.201 0.000 0.969 1198 Y HN 0.489 nan 8.280 nan 0.000 0.519 1199 A N -0.123 122.733 122.820 0.060 0.000 1.978 1199 A HA -0.150 4.170 4.320 0.001 0.000 0.220 1199 A C 2.358 179.821 177.584 -0.203 0.000 1.170 1199 A CA 1.820 53.841 52.037 -0.028 0.000 0.636 1199 A CB -1.302 17.688 19.000 -0.018 0.000 0.810 1199 A HN 0.607 nan 8.150 nan 0.000 0.448 1200 A N -0.322 122.335 122.820 -0.271 0.000 1.930 1200 A HA -0.048 4.273 4.320 0.001 0.000 0.215 1200 A C 2.120 179.313 177.584 -0.653 0.000 1.176 1200 A CA 1.590 53.306 52.037 -0.535 0.000 0.632 1200 A CB -0.373 18.345 19.000 -0.470 0.000 0.819 1200 A HN 0.419 nan 8.150 nan 0.000 0.445 1201 K N 0.182 120.335 120.400 -0.413 0.000 2.113 1201 K HA -0.137 4.183 4.320 0.001 0.000 0.208 1201 K C 1.856 178.243 176.600 -0.355 0.000 1.047 1201 K CA 1.515 57.611 56.287 -0.319 0.000 0.928 1201 K CB -0.420 31.764 32.500 -0.527 0.000 0.716 1201 K HN 0.508 nan 8.250 nan 0.000 0.446 1202 L N 0.851 121.807 121.223 -0.445 0.000 1.988 1202 L HA -0.208 4.132 4.340 0.001 0.000 0.207 1202 L C 2.674 179.427 176.870 -0.195 0.000 1.071 1202 L CA 1.050 55.725 54.840 -0.274 0.000 0.744 1202 L CB -0.444 41.508 42.059 -0.179 0.000 0.893 1202 L HN 0.218 nan 8.230 nan 0.000 0.433 1203 L N -0.358 120.700 121.223 -0.276 0.000 2.064 1203 L HA -0.319 4.022 4.340 0.001 0.000 0.216 1203 L C 2.117 178.927 176.870 -0.099 0.000 1.077 1203 L CA 2.076 56.768 54.840 -0.247 0.000 0.766 1203 L CB -0.660 41.147 42.059 -0.421 0.000 0.890 1203 L HN 0.156 nan 8.230 nan 0.000 0.435 1204 F N -0.885 119.022 119.950 -0.072 0.000 2.074 1204 F HA -0.198 4.329 4.527 0.001 0.000 0.293 1204 F C 2.607 178.371 175.800 -0.058 0.000 1.116 1204 F CA 0.988 58.951 58.000 -0.063 0.000 1.212 1204 F CB -0.445 38.514 39.000 -0.068 0.000 0.998 1204 F HN 0.080 nan 8.300 nan 0.000 0.471 1205 Q N 0.327 120.197 119.800 0.116 0.000 2.248 1205 Q HA -0.229 4.111 4.340 0.001 0.000 0.208 1205 Q C 1.770 177.789 176.000 0.032 0.000 0.984 1205 Q CA 1.521 57.351 55.803 0.046 0.000 0.875 1205 Q CB -0.235 28.500 28.738 -0.006 0.000 0.910 1205 Q HN 0.575 nan 8.270 nan 0.000 0.433 1206 E N 0.193 120.408 120.200 0.024 0.000 2.112 1206 E HA -0.069 4.281 4.350 0.001 0.000 0.190 1206 E C 1.853 178.472 176.600 0.032 0.000 0.979 1206 E CA 0.431 56.840 56.400 0.014 0.000 0.814 1206 E CB 0.104 29.799 29.700 -0.007 0.000 0.762 1206 E HN 0.321 nan 8.360 nan 0.000 0.460 1207 L N 0.380 121.640 121.223 0.063 0.000 2.275 1207 L HA -0.100 4.240 4.340 0.001 0.000 0.215 1207 L C 2.309 179.205 176.870 0.042 0.000 1.119 1207 L CA 0.673 55.550 54.840 0.062 0.000 0.790 1207 L CB -0.149 41.974 42.059 0.105 0.000 0.919 1207 L HN 0.230 nan 8.230 nan 0.000 0.443 1208 M N -0.958 118.667 119.600 0.042 0.000 2.160 1208 M HA -0.070 4.410 4.480 0.001 0.000 0.264 1208 M C 2.518 178.829 176.300 0.018 0.000 1.073 1208 M CA 1.506 56.821 55.300 0.024 0.000 1.142 1208 M CB -0.401 32.213 32.600 0.023 0.000 1.358 1208 M HN 0.232 nan 8.290 nan 0.000 0.422 1209 A N 0.226 123.057 122.820 0.018 0.000 2.084 1209 A HA -0.127 4.194 4.320 0.001 0.000 0.221 1209 A C 1.923 179.515 177.584 0.012 0.000 1.161 1209 A CA 1.392 53.437 52.037 0.013 0.000 0.653 1209 A CB -0.671 18.336 19.000 0.011 0.000 0.802 1209 A HN 0.503 nan 8.150 nan 0.000 0.457 1210 M N -0.937 118.672 119.600 0.014 0.000 2.551 1210 M HA 0.126 4.606 4.480 0.001 0.000 0.252 1210 M C 0.540 176.847 176.300 0.012 0.000 1.219 1210 M CA 0.063 55.371 55.300 0.013 0.000 0.978 1210 M CB -0.514 32.095 32.600 0.014 0.000 1.533 1210 M HN 0.646 nan 8.290 nan 0.000 0.474 1211 N N 1.287 119.994 118.700 0.012 0.000 2.753 1211 N HA -0.172 4.568 4.740 0.001 0.000 0.251 1211 N C -0.727 174.788 175.510 0.009 0.000 1.097 1211 N CA 0.222 53.278 53.050 0.009 0.000 0.786 1211 N CB -0.340 38.153 38.487 0.009 0.000 1.137 1211 N HN 0.394 nan 8.380 nan 0.000 0.566 1212 I N 1.322 121.898 120.570 0.011 0.000 2.460 1212 I HA 0.192 4.363 4.170 0.001 0.000 0.298 1212 I C 0.570 176.686 176.117 -0.002 0.000 0.989 1212 I CA -0.483 60.822 61.300 0.008 0.000 1.173 1212 I CB 1.800 39.809 38.000 0.015 0.000 1.338 1212 I HN 0.034 nan 8.210 nan 0.000 0.456 1213 T N 2.948 117.492 114.554 -0.016 0.000 2.801 1213 T HA 0.446 4.797 4.350 0.001 0.000 0.306 1213 T C -2.207 172.441 174.700 -0.088 0.000 1.020 1213 T CA -1.648 60.425 62.100 -0.045 0.000 0.948 1213 T CB 0.950 69.797 68.868 -0.036 0.000 0.962 1213 T HN 0.398 nan 8.240 nan 0.000 0.465 1214 P HA 0.362 nan 4.420 nan 0.000 0.219 1214 P C -0.345 176.713 177.300 -0.403 0.000 1.847 1214 P CA -0.689 62.245 63.100 -0.278 0.000 1.110 1214 P CB 0.324 31.806 31.700 -0.363 0.000 1.839 1215 R N 1.985 122.298 120.500 -0.312 0.000 2.489 1215 R HA 0.348 4.688 4.340 0.001 0.000 0.287 1215 R C 0.223 176.159 176.300 -0.607 0.000 1.053 1215 R CA -0.186 55.645 56.100 -0.450 0.000 1.036 1215 R CB 0.417 30.496 30.300 -0.368 0.000 0.966 1215 R HN 0.434 nan 8.270 nan 0.000 0.432 1216 L N 4.421 125.241 121.223 -0.672 0.000 2.287 1216 L HA 0.409 4.750 4.340 0.001 0.000 0.287 1216 L C -0.967 175.545 176.870 -0.596 0.000 1.022 1216 L CA -0.807 53.722 54.840 -0.517 0.000 0.814 1216 L CB 0.712 42.563 42.059 -0.347 0.000 1.217 1216 L HN 0.456 nan 8.230 nan 0.000 0.420 1217 Y N 0.339 120.597 120.300 -0.071 0.000 2.364 1217 Y HA 0.222 4.772 4.550 0.001 0.000 0.340 1217 Y C 1.438 177.270 175.900 -0.114 0.000 0.975 1217 Y CA -1.256 56.803 58.100 -0.068 0.000 1.089 1217 Y CB 1.995 40.427 38.460 -0.047 0.000 1.192 1217 Y HN 0.625 nan 8.280 nan 0.000 0.454 1218 T N -2.003 112.542 114.554 -0.015 0.000 3.007 1218 T HA -0.035 4.316 4.350 0.001 0.000 0.270 1218 T C -0.017 174.596 174.700 -0.146 0.000 1.107 1218 T CA 1.052 63.019 62.100 -0.221 0.000 1.118 1218 T CB -0.394 68.055 68.868 -0.698 0.000 0.889 1218 T HN 0.624 nan 8.240 nan 0.000 0.506 1219 D N 0.384 120.746 120.400 -0.063 0.000 2.523 1219 D HA 0.457 5.098 4.640 0.001 0.000 0.236 1219 D C -0.332 175.960 176.300 -0.013 0.000 1.094 1219 D CA -1.254 52.718 54.000 -0.046 0.000 0.942 1219 D CB 1.273 42.041 40.800 -0.053 0.000 1.447 1219 D HN 0.380 nan 8.370 nan 0.000 0.479 1220 R N -0.713 119.781 120.500 -0.011 0.000 2.691 1220 R HA 0.755 5.095 4.340 0.001 0.000 0.259 1220 R C -0.148 176.145 176.300 -0.012 0.000 1.048 1220 R CA -0.749 55.351 56.100 0.000 0.000 1.086 1220 R CB 1.166 31.473 30.300 0.012 0.000 1.166 1220 R HN 0.601 nan 8.270 nan 0.000 0.526 1221 S N -0.067 115.629 115.700 -0.006 0.000 3.429 1221 S HA -0.009 4.461 4.470 0.001 0.000 0.237 1221 S C 1.777 176.384 174.600 0.012 0.000 1.037 1221 S CA -0.274 57.919 58.200 -0.013 0.000 0.806 1221 S CB -0.517 62.660 63.200 -0.038 0.000 0.882 1221 S HN 0.706 nan 8.310 nan 0.000 0.556 1222 R N 2.201 122.716 120.500 0.024 0.000 2.267 1222 R HA -0.207 4.133 4.340 0.001 0.000 0.259 1222 R C 0.259 176.608 176.300 0.081 0.000 1.192 1222 R CA 1.839 57.968 56.100 0.049 0.000 1.013 1222 R CB -0.907 29.426 30.300 0.055 0.000 0.877 1222 R HN 0.645 nan 8.270 nan 0.000 0.474 1223 D N -1.719 118.726 120.400 0.075 0.000 4.556 1223 D HA -0.302 4.339 4.640 0.001 0.000 0.303 1223 D C -0.181 176.255 176.300 0.226 0.000 2.368 1223 D CA 1.628 55.690 54.000 0.104 0.000 1.145 1223 D CB -0.565 40.275 40.800 0.066 0.000 1.097 1223 D HN 0.209 nan 8.370 nan 0.000 1.280 1224 F N 0.000 119.949 119.950 -0.002 0.000 2.286 1224 F HA 0.000 4.527 4.527 0.001 0.000 0.279 1224 F CA 0.000 58.000 58.000 -0.000 0.000 1.383 1224 F CB 0.000 39.000 39.000 0.000 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574