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 3gtm_1_B DATA FIRST_RESID 20 DATA SEQUENCE DESAPITAED SWAVISAFFR EKGLVSQQLD SFNQFVDYTL QDIICEDSTL DATA SEQUENCE IXXXXXXXXX XXXXXXXXXX ISFGKIYVTK PMVNESDGVT HALYPQEARL DATA SEQUENCE RNLTYSSGLF VDVKKXXXXX 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 ALDFIGXXXX XXXXXKEKRI QYAKDILQKE FLPHITQLEG DATA SEQUENCE FESRKAFFLG YMINRLLLCA LDRKDQDDRD HFGKKRLDLA GPLLAQLFKT DATA SEQUENCE LFKKLTKDIF RYMQRTVEXX XXXXXXLAIN AKTITSGLKY ALATGNWGEQ DATA SEQUENCE XXXXSSRAGV SQVLNRYTYS STLSHLRRTN TPIXXXXKLA 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 0.000 176.270 176.300 -0.051 0.000 2.045 20 D CA 0.000 53.981 54.000 -0.032 0.000 0.868 20 D CB 0.000 40.786 40.800 -0.024 0.000 0.688 21 E N -1.174 118.988 120.200 -0.064 0.000 2.562 21 E HA 0.253 4.607 4.350 0.007 0.000 0.214 21 E C -0.172 176.365 176.600 -0.105 0.000 0.979 21 E CA -0.192 56.148 56.400 -0.100 0.000 1.002 21 E CB 0.629 30.264 29.700 -0.109 0.000 1.048 21 E HN 0.080 nan 8.360 nan 0.000 0.488 22 S N 0.742 116.403 115.700 -0.065 0.000 2.651 22 S HA 0.483 4.958 4.470 0.007 0.000 0.246 22 S C 0.165 174.748 174.600 -0.028 0.000 1.039 22 S CA -0.214 57.957 58.200 -0.048 0.000 1.013 22 S CB 0.990 64.171 63.200 -0.033 0.000 0.861 22 S HN 0.438 nan 8.310 nan 0.000 0.485 23 A N 3.142 125.943 122.820 -0.031 0.000 2.264 23 A HA 0.802 5.127 4.320 0.007 0.000 0.304 23 A C -2.200 175.377 177.584 -0.012 0.000 1.100 23 A CA -1.622 50.407 52.037 -0.013 0.000 0.839 23 A CB 0.287 19.280 19.000 -0.012 0.000 1.121 23 A HN 0.175 nan 8.150 nan 0.000 0.496 24 P HA 0.464 nan 4.420 nan 0.000 0.318 24 P C -0.525 176.762 177.300 -0.021 0.000 1.309 24 P CA -0.145 62.948 63.100 -0.012 0.000 0.736 24 P CB 0.497 32.207 31.700 0.017 0.000 1.440 25 I N -1.513 119.036 120.570 -0.034 0.000 2.957 25 I HA 0.413 4.587 4.170 0.007 0.000 0.310 25 I C -0.035 176.080 176.117 -0.002 0.000 1.063 25 I CA -0.710 60.566 61.300 -0.040 0.000 1.033 25 I CB 2.213 40.139 38.000 -0.122 0.000 1.230 25 I HN 0.301 nan 8.210 nan 0.000 0.447 26 T N -0.092 114.476 114.554 0.024 0.000 2.893 26 T HA 0.516 4.870 4.350 0.007 0.000 0.293 26 T C 0.721 175.478 174.700 0.094 0.000 1.027 26 T CA -0.384 61.752 62.100 0.059 0.000 0.988 26 T CB 1.954 70.865 68.868 0.072 0.000 1.043 26 T HN 0.697 nan 8.240 nan 0.000 0.461 27 A N 1.585 124.474 122.820 0.116 0.000 1.944 27 A HA -0.287 4.037 4.320 0.007 0.000 0.222 27 A C 2.146 179.888 177.584 0.263 0.000 1.237 27 A CA 2.742 54.885 52.037 0.177 0.000 0.668 27 A CB -1.245 17.872 19.000 0.196 0.000 0.830 27 A HN 1.036 nan 8.150 nan 0.000 0.471 28 E N 0.070 120.431 120.200 0.267 0.000 2.130 28 E HA -0.219 4.135 4.350 0.007 0.000 0.196 28 E C 1.475 178.259 176.600 0.307 0.000 0.998 28 E CA 1.722 58.318 56.400 0.326 0.000 0.806 28 E CB -0.259 29.575 29.700 0.224 0.000 0.738 28 E HN 0.627 nan 8.360 nan 0.000 0.459 29 D N -0.519 120.003 120.400 0.204 0.000 2.178 29 D HA -0.134 4.510 4.640 0.007 0.000 0.201 29 D C 1.848 178.266 176.300 0.197 0.000 0.980 29 D CA 1.473 55.575 54.000 0.170 0.000 0.842 29 D CB -0.328 40.526 40.800 0.091 0.000 0.948 29 D HN 0.326 nan 8.370 nan 0.000 0.472 30 S N -1.107 114.699 115.700 0.176 0.000 2.555 30 S HA -0.108 4.366 4.470 0.007 0.000 0.230 30 S C 1.753 176.390 174.600 0.063 0.000 0.978 30 S CA 0.019 58.323 58.200 0.173 0.000 0.934 30 S CB -0.574 62.735 63.200 0.182 0.000 0.766 30 S HN 0.352 nan 8.310 nan 0.000 0.533 31 W N 1.312 122.711 121.300 0.165 0.000 2.539 31 W HA 0.392 5.056 4.660 0.007 0.000 0.281 31 W C 2.792 179.421 176.519 0.183 0.000 1.220 31 W CA 0.212 57.627 57.345 0.117 0.000 1.332 31 W CB -0.306 29.212 29.460 0.096 0.000 1.095 31 W HN 0.351 nan 8.180 nan 0.000 0.571 32 A N 0.003 123.077 122.820 0.424 0.000 2.019 32 A HA -0.143 4.182 4.320 0.007 0.000 0.219 32 A C 1.886 179.672 177.584 0.337 0.000 1.164 32 A CA 1.837 54.088 52.037 0.357 0.000 0.644 32 A CB -0.964 18.206 19.000 0.282 0.000 0.805 32 A HN 0.107 nan 8.150 nan 0.000 0.449 33 V N 0.132 120.237 119.914 0.319 0.000 2.244 33 V HA -0.269 3.856 4.120 0.007 0.000 0.244 33 V C 2.384 178.650 176.094 0.286 0.000 1.042 33 V CA 2.010 64.520 62.300 0.351 0.000 1.006 33 V CB -0.722 31.369 31.823 0.446 0.000 0.641 33 V HN 0.587 nan 8.190 nan 0.000 0.446 34 I N 0.160 120.791 120.570 0.102 0.000 2.145 34 I HA -0.342 3.832 4.170 0.007 0.000 0.244 34 I C 2.776 178.863 176.117 -0.050 0.000 1.075 34 I CA 1.998 63.197 61.300 -0.169 0.000 1.332 34 I CB -0.468 37.339 38.000 -0.322 0.000 1.033 34 I HN 0.357 nan 8.210 nan 0.000 0.410 35 S N 0.307 116.170 115.700 0.272 0.000 2.368 35 S HA -0.281 4.193 4.470 0.007 0.000 0.226 35 S C 2.152 177.011 174.600 0.431 0.000 1.044 35 S CA 1.799 60.370 58.200 0.619 0.000 1.062 35 S CB -0.280 63.288 63.200 0.613 0.000 0.931 35 S HN 0.535 nan 8.310 nan 0.000 0.440 36 A N -0.059 122.972 122.820 0.351 0.000 2.015 36 A HA 0.024 4.349 4.320 0.007 0.000 0.219 36 A C 1.926 179.679 177.584 0.280 0.000 1.163 36 A CA 1.386 53.627 52.037 0.339 0.000 0.646 36 A CB -0.882 18.350 19.000 0.387 0.000 0.806 36 A HN 0.712 nan 8.150 nan 0.000 0.448 37 F N -0.490 119.418 119.950 -0.071 0.000 2.102 37 F HA -0.122 4.409 4.527 0.007 0.000 0.298 37 F C 1.819 177.335 175.800 -0.472 0.000 1.105 37 F CA 1.772 59.365 58.000 -0.680 0.000 1.239 37 F CB -0.220 38.059 39.000 -1.202 0.000 0.991 37 F HN 0.235 nan 8.300 nan 0.000 0.474 38 F N 0.081 120.101 119.950 0.115 0.000 2.367 38 F HA 0.053 4.584 4.527 0.007 0.000 0.298 38 F C 2.300 178.130 175.800 0.051 0.000 1.094 38 F CA 0.323 58.375 58.000 0.087 0.000 1.409 38 F CB -0.368 38.804 39.000 0.288 0.000 1.064 38 F HN -0.265 nan 8.300 nan 0.000 0.528 39 R N 0.270 120.934 120.500 0.273 0.000 2.293 39 R HA -0.176 4.169 4.340 0.007 0.000 0.219 39 R C 1.764 178.126 176.300 0.104 0.000 1.091 39 R CA 1.340 57.557 56.100 0.195 0.000 1.004 39 R CB -0.171 30.255 30.300 0.211 0.000 0.865 39 R HN 0.437 nan 8.270 nan 0.000 0.469 40 E N 0.010 120.223 120.200 0.023 0.000 2.367 40 E HA 0.008 4.362 4.350 0.007 0.000 0.204 40 E C 0.995 177.533 176.600 -0.104 0.000 0.840 40 E CA 0.000 56.388 56.400 -0.021 0.000 1.051 40 E CB 0.529 30.238 29.700 0.016 0.000 1.051 40 E HN 0.075 nan 8.360 nan 0.000 0.509 41 K N 0.678 120.923 120.400 -0.259 0.000 2.361 41 K HA 0.222 4.547 4.320 0.007 0.000 0.194 41 K C 0.927 177.469 176.600 -0.097 0.000 1.032 41 K CA 0.396 56.508 56.287 -0.292 0.000 1.048 41 K CB 1.071 33.136 32.500 -0.725 0.000 0.842 41 K HN 0.233 nan 8.250 nan 0.000 0.526 42 G N 2.067 110.881 108.800 0.023 0.000 2.598 42 G HA2 -0.312 3.652 3.960 0.007 0.000 0.269 42 G HA3 -0.312 3.652 3.960 0.007 0.000 0.269 42 G C 0.237 175.211 174.900 0.122 0.000 1.289 42 G CA -0.116 45.034 45.100 0.083 0.000 0.926 42 G HN 0.222 nan 8.290 nan 0.000 0.567 43 L N 0.140 121.381 121.223 0.031 0.000 2.906 43 L HA 0.336 4.680 4.340 0.007 0.000 0.255 43 L C 1.635 178.495 176.870 -0.016 0.000 1.166 43 L CA 0.548 55.385 54.840 -0.005 0.000 0.977 43 L CB 0.798 42.786 42.059 -0.119 0.000 1.313 43 L HN 0.719 nan 8.230 nan 0.000 0.549 44 V N -6.021 113.883 119.914 -0.018 0.000 3.330 44 V HA 0.131 4.256 4.120 0.007 0.000 0.309 44 V C 1.959 178.029 176.094 -0.040 0.000 1.481 44 V CA 0.382 62.658 62.300 -0.040 0.000 1.068 44 V CB 0.149 31.940 31.823 -0.054 0.000 0.935 44 V HN 0.294 nan 8.190 nan 0.000 0.453 45 S N 2.766 118.445 115.700 -0.034 0.000 2.408 45 S HA -0.478 3.996 4.470 0.007 0.000 0.241 45 S C 1.905 176.486 174.600 -0.033 0.000 1.080 45 S CA 2.625 60.798 58.200 -0.045 0.000 1.109 45 S CB -0.993 62.158 63.200 -0.082 0.000 0.966 45 S HN 0.864 nan 8.310 nan 0.000 0.449 46 Q N 1.033 120.806 119.800 -0.044 0.000 2.077 46 Q HA -0.187 4.157 4.340 0.007 0.000 0.206 46 Q C 2.406 178.402 176.000 -0.008 0.000 0.989 46 Q CA 1.578 57.358 55.803 -0.038 0.000 0.853 46 Q CB -0.495 28.207 28.738 -0.061 0.000 0.907 46 Q HN 0.514 nan 8.270 nan 0.000 0.418 47 Q N 0.782 120.570 119.800 -0.021 0.000 1.967 47 Q HA -0.078 4.267 4.340 0.007 0.000 0.202 47 Q C 2.388 178.403 176.000 0.025 0.000 0.985 47 Q CA 1.460 57.255 55.803 -0.012 0.000 0.839 47 Q CB -0.340 28.358 28.738 -0.066 0.000 0.906 47 Q HN 0.462 nan 8.270 nan 0.000 0.423 48 L N 0.965 122.183 121.223 -0.009 0.000 1.955 48 L HA -0.241 4.103 4.340 0.007 0.000 0.213 48 L C 2.118 179.052 176.870 0.107 0.000 1.072 48 L CA 1.366 56.226 54.840 0.033 0.000 0.755 48 L CB -0.947 41.103 42.059 -0.015 0.000 0.888 48 L HN 0.143 nan 8.230 nan 0.000 0.432 49 D N -0.327 120.112 120.400 0.065 0.000 2.263 49 D HA -0.262 4.382 4.640 0.007 0.000 0.193 49 D C 2.316 178.682 176.300 0.111 0.000 1.013 49 D CA 1.971 56.019 54.000 0.079 0.000 0.892 49 D CB -0.161 40.671 40.800 0.053 0.000 0.909 49 D HN 0.275 nan 8.370 nan 0.000 0.449 50 S N -1.293 114.479 115.700 0.120 0.000 2.356 50 S HA -0.089 4.385 4.470 0.007 0.000 0.219 50 S C 1.828 176.548 174.600 0.200 0.000 1.036 50 S CA 0.388 58.670 58.200 0.137 0.000 0.965 50 S CB -0.547 62.719 63.200 0.110 0.000 0.864 50 S HN 0.221 nan 8.310 nan 0.000 0.471 51 F N 3.610 123.613 119.950 0.089 0.000 2.063 51 F HA -0.233 4.299 4.527 0.007 0.000 0.298 51 F C 2.095 178.005 175.800 0.185 0.000 1.109 51 F CA 2.310 60.391 58.000 0.135 0.000 1.212 51 F CB -0.751 38.296 39.000 0.079 0.000 0.973 51 F HN 0.275 nan 8.300 nan 0.000 0.480 52 N N 0.342 119.185 118.700 0.238 0.000 2.036 52 N HA -0.273 4.471 4.740 0.007 0.000 0.195 52 N C 1.786 177.337 175.510 0.069 0.000 1.037 52 N CA 1.690 54.807 53.050 0.112 0.000 0.855 52 N CB -0.984 37.589 38.487 0.143 0.000 1.033 52 N HN 0.394 nan 8.380 nan 0.000 0.423 53 Q N -0.054 119.832 119.800 0.143 0.000 2.561 53 Q HA -0.041 4.304 4.340 0.007 0.000 0.217 53 Q C 1.374 177.466 176.000 0.154 0.000 0.980 53 Q CA 0.757 56.677 55.803 0.196 0.000 0.927 53 Q CB -0.323 28.492 28.738 0.129 0.000 0.980 53 Q HN 0.450 nan 8.270 nan 0.000 0.525 54 F N -2.011 117.882 119.950 -0.095 0.000 2.298 54 F HA 0.056 4.587 4.527 0.007 0.000 0.282 54 F C 1.658 177.286 175.800 -0.285 0.000 1.045 54 F CA 0.656 58.544 58.000 -0.187 0.000 1.280 54 F CB -0.392 38.450 39.000 -0.263 0.000 1.114 54 F HN -0.098 nan 8.300 nan 0.000 0.546 55 V N 1.175 120.850 119.914 -0.398 0.000 2.282 55 V HA -0.315 3.809 4.120 0.007 0.000 0.249 55 V C 1.997 177.826 176.094 -0.441 0.000 1.057 55 V CA 2.469 64.473 62.300 -0.493 0.000 1.032 55 V CB -0.633 30.978 31.823 -0.353 0.000 0.645 55 V HN 0.375 nan 8.190 nan 0.000 0.447 56 D N -1.861 118.339 120.400 -0.333 0.000 2.103 56 D HA -0.091 4.553 4.640 0.007 0.000 0.199 56 D C 1.934 177.896 176.300 -0.563 0.000 0.978 56 D CA 1.666 55.399 54.000 -0.445 0.000 0.829 56 D CB -0.079 40.441 40.800 -0.467 0.000 0.981 56 D HN 0.566 nan 8.370 nan 0.000 0.464 57 Y N 0.206 120.368 120.300 -0.229 0.000 2.453 57 Y HA 0.076 4.630 4.550 0.007 0.000 0.273 57 Y C 2.669 178.410 175.900 -0.264 0.000 1.130 57 Y CA 0.550 58.531 58.100 -0.198 0.000 1.271 57 Y CB -0.762 37.626 38.460 -0.120 0.000 1.253 57 Y HN -0.219 nan 8.280 nan 0.000 0.512 58 T N 1.550 116.041 114.554 -0.105 0.000 2.653 58 T HA -0.245 4.109 4.350 0.007 0.000 0.268 58 T C 1.916 176.374 174.700 -0.404 0.000 1.035 58 T CA 1.906 63.886 62.100 -0.200 0.000 1.154 58 T CB -0.704 68.100 68.868 -0.107 0.000 0.862 58 T HN 0.094 nan 8.240 nan 0.000 0.441 59 L N 1.228 121.976 121.223 -0.792 0.000 2.043 59 L HA -0.137 4.207 4.340 0.007 0.000 0.212 59 L C 2.473 179.073 176.870 -0.450 0.000 1.075 59 L CA 1.933 56.279 54.840 -0.824 0.000 0.752 59 L CB -0.787 40.669 42.059 -1.005 0.000 0.891 59 L HN 0.227 nan 8.230 nan 0.000 0.432 60 Q N -0.917 118.675 119.800 -0.347 0.000 2.364 60 Q HA -0.169 4.175 4.340 0.007 0.000 0.207 60 Q C 1.526 177.443 176.000 -0.138 0.000 0.970 60 Q CA 1.710 57.381 55.803 -0.221 0.000 0.888 60 Q CB -0.072 28.549 28.738 -0.196 0.000 0.951 60 Q HN 0.629 nan 8.270 nan 0.000 0.469 61 D N -0.777 119.548 120.400 -0.126 0.000 2.149 61 D HA 0.001 4.645 4.640 0.007 0.000 0.206 61 D C 1.334 177.615 176.300 -0.031 0.000 0.967 61 D CA 1.146 55.114 54.000 -0.052 0.000 0.848 61 D CB 0.090 40.874 40.800 -0.027 0.000 0.998 61 D HN 0.279 nan 8.370 nan 0.000 0.474 62 I N 0.446 120.990 120.570 -0.043 0.000 2.567 62 I HA -0.180 3.994 4.170 0.007 0.000 0.257 62 I C 1.448 177.553 176.117 -0.020 0.000 1.184 62 I CA 0.366 61.686 61.300 0.034 0.000 1.451 62 I CB 0.035 38.110 38.000 0.125 0.000 1.089 62 I HN 0.067 nan 8.210 nan 0.000 0.441 63 I N 0.032 120.492 120.570 -0.183 0.000 2.617 63 I HA -0.127 4.047 4.170 0.007 0.000 0.256 63 I C 0.856 176.980 176.117 0.013 0.000 1.167 63 I CA 0.541 61.677 61.300 -0.275 0.000 1.469 63 I CB -0.331 37.490 38.000 -0.299 0.000 1.098 63 I HN 0.187 nan 8.210 nan 0.000 0.436 64 C N 2.193 121.508 119.300 0.025 0.000 2.225 64 C HA 0.464 4.928 4.460 0.007 0.000 0.323 64 C C 1.174 176.204 174.990 0.067 0.000 1.164 64 C CA -0.118 58.938 59.018 0.064 0.000 1.565 64 C CB -1.363 26.402 27.740 0.041 0.000 2.124 64 C HN 0.687 nan 8.230 nan 0.000 0.461 65 E N 0.725 120.976 120.200 0.085 0.000 1.407 65 E HA -0.118 4.236 4.350 0.007 0.000 0.225 65 E C -0.084 176.550 176.600 0.057 0.000 1.060 65 E CA 0.347 56.784 56.400 0.062 0.000 1.268 65 E CB -0.829 28.902 29.700 0.051 0.000 4.512 65 E HN 0.508 nan 8.360 nan 0.000 0.751 66 D N 2.173 122.614 120.400 0.069 0.000 2.379 66 D HA 0.054 4.698 4.640 0.007 0.000 0.208 66 D C 1.749 178.077 176.300 0.046 0.000 1.065 66 D CA 0.959 54.974 54.000 0.025 0.000 0.848 66 D CB 0.167 40.943 40.800 -0.041 0.000 0.949 66 D HN 0.243 nan 8.370 nan 0.000 0.509 67 S N 0.027 115.795 115.700 0.115 0.000 2.389 67 S HA -0.201 4.274 4.470 0.007 0.000 0.231 67 S C 1.160 175.953 174.600 0.322 0.000 1.052 67 S CA 1.112 59.446 58.200 0.223 0.000 1.053 67 S CB -1.403 61.973 63.200 0.293 0.000 0.886 67 S HN 0.245 nan 8.310 nan 0.000 0.456 68 T N 2.903 117.578 114.554 0.202 0.000 2.856 68 T HA 0.686 5.040 4.350 0.007 0.000 0.292 68 T C -0.116 174.677 174.700 0.155 0.000 0.980 68 T CA -0.457 61.748 62.100 0.174 0.000 1.091 68 T CB 1.029 69.968 68.868 0.118 0.000 0.936 68 T HN 0.224 nan 8.240 nan 0.000 0.503 69 L N 1.873 123.190 121.223 0.156 0.000 2.348 69 L HA 0.674 5.018 4.340 0.007 0.000 0.258 69 L C -0.093 176.848 176.870 0.119 0.000 1.208 69 L CA -1.289 53.656 54.840 0.174 0.000 1.241 69 L CB 0.371 42.556 42.059 0.210 0.000 1.742 69 L HN 0.375 nan 8.230 nan 0.000 0.544 91 S N 6.201 121.851 115.700 -0.082 0.000 2.475 91 S HA 0.642 5.117 4.470 0.007 0.000 0.281 91 S C -0.814 173.728 174.600 -0.097 0.000 1.198 91 S CA -0.346 57.858 58.200 0.007 0.000 1.063 91 S CB 0.532 63.756 63.200 0.041 0.000 0.972 91 S HN 0.287 nan 8.310 nan 0.000 0.486 92 F N 2.842 122.846 119.950 0.090 0.000 2.411 92 F HA 0.626 5.157 4.527 0.007 0.000 0.350 92 F C 1.243 177.091 175.800 0.080 0.000 1.114 92 F CA -0.067 57.995 58.000 0.104 0.000 1.135 92 F CB 1.369 40.467 39.000 0.164 0.000 1.120 92 F HN 0.900 nan 8.300 nan 0.000 0.495 93 G N 2.320 111.248 108.800 0.212 0.000 3.227 93 G HA2 0.239 4.203 3.960 0.007 0.000 0.171 93 G HA3 0.239 4.203 3.960 0.007 0.000 0.171 93 G C -0.760 174.224 174.900 0.139 0.000 1.463 93 G CA -0.651 44.539 45.100 0.150 0.000 1.016 93 G HN 0.452 nan 8.290 nan 0.000 0.594 94 K N -0.026 120.450 120.400 0.127 0.000 2.270 94 K HA 0.392 4.716 4.320 0.007 0.000 0.276 94 K C -0.548 176.118 176.600 0.110 0.000 1.023 94 K CA -0.272 56.034 56.287 0.032 0.000 0.955 94 K CB 0.955 33.400 32.500 -0.092 0.000 0.975 94 K HN 0.295 nan 8.250 nan 0.000 0.471 95 I N 4.620 125.172 120.570 -0.031 0.000 2.321 95 I HA 0.213 4.388 4.170 0.007 0.000 0.291 95 I C -1.284 174.801 176.117 -0.054 0.000 0.998 95 I CA -0.793 60.536 61.300 0.048 0.000 1.227 95 I CB 0.361 38.325 38.000 -0.059 0.000 1.368 95 I HN 0.568 nan 8.210 nan 0.000 0.466 96 Y N 5.974 126.273 120.300 -0.002 0.000 2.323 96 Y HA 0.435 4.990 4.550 0.007 0.000 0.331 96 Y C 0.013 175.841 175.900 -0.120 0.000 1.092 96 Y CA -0.710 57.371 58.100 -0.033 0.000 1.150 96 Y CB 1.528 40.021 38.460 0.054 0.000 1.200 96 Y HN 0.208 nan 8.280 nan 0.000 0.472 97 V N 3.073 122.957 119.914 -0.049 0.000 2.370 97 V HA 0.350 4.474 4.120 0.007 0.000 0.283 97 V C 0.269 176.282 176.094 -0.135 0.000 1.023 97 V CA -1.051 61.174 62.300 -0.126 0.000 0.857 97 V CB 0.945 32.681 31.823 -0.145 0.000 0.985 97 V HN 0.903 nan 8.190 nan 0.000 0.443 98 T N 2.520 116.944 114.554 -0.217 0.000 2.816 98 T HA 0.418 4.772 4.350 0.007 0.000 0.282 98 T C -0.058 174.541 174.700 -0.168 0.000 0.993 98 T CA -0.670 61.310 62.100 -0.201 0.000 0.994 98 T CB 0.924 69.623 68.868 -0.282 0.000 1.025 98 T HN 0.568 nan 8.240 nan 0.000 0.529 99 K N 1.664 121.970 120.400 -0.156 0.000 2.118 99 K HA 0.338 4.662 4.320 0.007 0.000 0.264 99 K C -2.582 173.884 176.600 -0.224 0.000 1.000 99 K CA -2.061 54.070 56.287 -0.261 0.000 0.929 99 K CB 0.576 32.894 32.500 -0.303 0.000 1.021 99 K HN 0.434 nan 8.250 nan 0.000 0.463 100 P HA -0.043 nan 4.420 nan 0.000 0.260 100 P C -0.771 176.468 177.300 -0.102 0.000 1.185 100 P CA 0.954 63.865 63.100 -0.315 0.000 0.763 100 P CB 0.390 31.645 31.700 -0.743 0.000 0.776 101 M N 1.865 121.409 119.600 -0.093 0.000 2.775 101 M HA 0.627 5.111 4.480 0.007 0.000 0.296 101 M C -0.779 175.504 176.300 -0.028 0.000 1.248 101 M CA -1.153 54.111 55.300 -0.058 0.000 0.800 101 M CB 2.181 34.754 32.600 -0.044 0.000 1.765 101 M HN -0.122 nan 8.290 nan 0.000 0.472 102 V N 1.089 121.005 119.914 0.003 0.000 2.733 102 V HA 0.378 4.502 4.120 0.007 0.000 0.306 102 V C -1.525 174.585 176.094 0.025 0.000 1.084 102 V CA -0.684 61.632 62.300 0.027 0.000 0.905 102 V CB 2.264 34.120 31.823 0.055 0.000 1.010 102 V HN 0.808 nan 8.190 nan 0.000 0.424 103 N N 4.068 122.774 118.700 0.011 0.000 2.485 103 N HA 0.464 5.208 4.740 0.007 0.000 0.243 103 N C -0.788 174.724 175.510 0.003 0.000 0.987 103 N CA -0.404 52.644 53.050 -0.003 0.000 0.940 103 N CB 0.820 39.291 38.487 -0.026 0.000 1.122 103 N HN 0.806 nan 8.380 nan 0.000 0.509 104 E N 0.453 120.655 120.200 0.003 0.000 2.248 104 E HA 0.468 4.822 4.350 0.007 0.000 0.267 104 E C -0.735 175.863 176.600 -0.003 0.000 0.877 104 E CA -1.079 55.320 56.400 -0.001 0.000 0.759 104 E CB 1.053 30.750 29.700 -0.006 0.000 1.182 104 E HN 0.401 nan 8.360 nan 0.000 0.418 105 S N 2.261 117.960 115.700 -0.001 0.000 2.579 105 S HA 0.067 4.542 4.470 0.007 0.000 0.275 105 S C 0.106 174.706 174.600 -0.000 0.000 1.345 105 S CA -0.427 57.773 58.200 0.000 0.000 1.031 105 S CB 0.191 63.394 63.200 0.004 0.000 0.892 105 S HN 0.666 nan 8.310 nan 0.000 0.529 106 D N 0.518 120.918 120.400 0.000 0.000 2.904 106 D HA -0.007 4.637 4.640 0.007 0.000 0.231 106 D C 0.167 176.465 176.300 -0.004 0.000 1.185 106 D CA 2.188 56.188 54.000 0.000 0.000 0.783 106 D CB -1.457 39.345 40.800 0.003 0.000 0.961 106 D HN 1.346 nan 8.370 nan 0.000 0.409 107 G N -1.688 107.109 108.800 -0.004 0.000 2.322 107 G HA2 0.357 4.321 3.960 0.007 0.000 0.289 107 G HA3 0.357 4.321 3.960 0.007 0.000 0.289 107 G C 0.038 174.939 174.900 0.002 0.000 1.687 107 G CA -0.394 44.702 45.100 -0.005 0.000 0.944 107 G HN 0.290 nan 8.290 nan 0.000 0.718 108 V N 0.235 120.155 119.914 0.011 0.000 3.857 108 V HA 0.452 4.577 4.120 0.007 0.000 0.275 108 V C 1.238 177.348 176.094 0.027 0.000 0.992 108 V CA 0.173 62.482 62.300 0.016 0.000 0.998 108 V CB 0.449 32.286 31.823 0.024 0.000 1.234 108 V HN 0.870 nan 8.190 nan 0.000 0.438 109 T N 0.380 114.950 114.554 0.026 0.000 2.891 109 T HA 0.265 4.619 4.350 0.007 0.000 0.315 109 T C -0.231 174.503 174.700 0.056 0.000 1.054 109 T CA -0.019 62.098 62.100 0.028 0.000 0.958 109 T CB -0.528 68.339 68.868 -0.002 0.000 1.008 109 T HN 0.679 nan 8.240 nan 0.000 0.521 110 H N 2.614 121.660 119.070 -0.039 0.000 2.871 110 H HA 0.416 4.976 4.556 0.007 0.000 0.355 110 H C 0.291 175.565 175.328 -0.090 0.000 1.092 110 H CA -0.252 55.762 56.048 -0.057 0.000 1.420 110 H CB 0.462 30.196 29.762 -0.047 0.000 1.400 110 H HN 0.719 nan 8.280 nan 0.000 0.604 111 A N 5.575 128.019 122.820 -0.626 0.000 2.376 111 A HA 0.316 4.640 4.320 0.007 0.000 0.298 111 A C -0.531 176.578 177.584 -0.792 0.000 1.271 111 A CA -0.551 51.129 52.037 -0.595 0.000 0.926 111 A CB -0.618 18.012 19.000 -0.617 0.000 1.141 111 A HN 0.642 nan 8.150 nan 0.000 0.539 112 L N 3.875 124.867 121.223 -0.385 0.000 2.305 112 L HA 0.538 4.882 4.340 0.007 0.000 0.281 112 L C -0.834 175.975 176.870 -0.103 0.000 1.085 112 L CA 0.127 54.865 54.840 -0.170 0.000 0.813 112 L CB 0.148 42.228 42.059 0.036 0.000 1.157 112 L HN 0.623 nan 8.230 nan 0.000 0.436 113 Y N 5.878 126.302 120.300 0.206 0.000 2.496 113 Y HA 0.431 4.985 4.550 0.007 0.000 0.331 113 Y C -1.427 174.617 175.900 0.239 0.000 1.140 113 Y CA -1.763 56.493 58.100 0.261 0.000 1.166 113 Y CB 0.999 39.493 38.460 0.057 0.000 1.249 113 Y HN 0.551 nan 8.280 nan 0.000 0.479 114 P HA -0.275 nan 4.420 nan 0.000 0.213 114 P C 1.207 178.543 177.300 0.059 0.000 1.170 114 P CA 1.747 64.774 63.100 -0.122 0.000 0.902 114 P CB 0.352 31.878 31.700 -0.291 0.000 0.789 115 Q N 0.487 120.332 119.800 0.076 0.000 2.082 115 Q HA -0.244 4.100 4.340 0.007 0.000 0.211 115 Q C 2.379 178.448 176.000 0.116 0.000 1.002 115 Q CA 2.436 58.288 55.803 0.083 0.000 0.868 115 Q CB -1.053 27.722 28.738 0.063 0.000 0.931 115 Q HN 0.357 nan 8.270 nan 0.000 0.414 116 E N -1.339 118.955 120.200 0.155 0.000 2.118 116 E HA -0.214 4.141 4.350 0.007 0.000 0.195 116 E C 1.712 178.402 176.600 0.150 0.000 0.992 116 E CA 1.050 57.545 56.400 0.157 0.000 0.804 116 E CB -0.279 29.537 29.700 0.193 0.000 0.741 116 E HN 0.462 nan 8.360 nan 0.000 0.458 117 A N 0.912 123.836 122.820 0.174 0.000 1.972 117 A HA -0.152 4.172 4.320 0.007 0.000 0.219 117 A C 2.103 179.772 177.584 0.140 0.000 1.169 117 A CA 1.311 53.450 52.037 0.170 0.000 0.635 117 A CB -0.342 18.804 19.000 0.242 0.000 0.810 117 A HN 0.174 nan 8.150 nan 0.000 0.446 118 R N -0.971 119.609 120.500 0.132 0.000 2.161 118 R HA 0.163 4.507 4.340 0.007 0.000 0.213 118 R C 1.864 178.249 176.300 0.141 0.000 1.055 118 R CA 0.740 56.915 56.100 0.126 0.000 0.996 118 R CB -0.271 30.094 30.300 0.108 0.000 0.901 118 R HN 0.485 nan 8.270 nan 0.000 0.456 119 L N 0.145 121.454 121.223 0.142 0.000 2.023 119 L HA -0.086 4.258 4.340 0.007 0.000 0.205 119 L C 1.806 178.830 176.870 0.257 0.000 1.073 119 L CA 1.361 56.303 54.840 0.170 0.000 0.745 119 L CB -0.116 42.026 42.059 0.137 0.000 0.900 119 L HN 0.046 nan 8.230 nan 0.000 0.435 120 R N 0.206 120.808 120.500 0.170 0.000 2.335 120 R HA 0.109 4.454 4.340 0.007 0.000 0.223 120 R C -0.263 175.945 176.300 -0.153 0.000 0.940 120 R CA -0.051 56.079 56.100 0.051 0.000 1.086 120 R CB -0.429 29.861 30.300 -0.018 0.000 1.073 120 R HN 0.369 nan 8.270 nan 0.000 0.504 121 N N 1.223 119.960 118.700 0.061 0.000 2.696 121 N HA -0.183 4.561 4.740 0.007 0.000 0.256 121 N C -0.856 174.643 175.510 -0.018 0.000 1.031 121 N CA -0.047 53.031 53.050 0.046 0.000 0.730 121 N CB -0.650 37.882 38.487 0.075 0.000 0.894 121 N HN 0.212 nan 8.380 nan 0.000 0.544 122 L N -0.708 120.538 121.223 0.038 0.000 2.391 122 L HA 0.629 4.973 4.340 0.007 0.000 0.266 122 L C 0.594 177.527 176.870 0.104 0.000 1.035 122 L CA -0.778 54.093 54.840 0.051 0.000 0.877 122 L CB 1.444 43.541 42.059 0.063 0.000 1.504 122 L HN -0.064 nan 8.230 nan 0.000 0.503 123 T N -0.640 113.984 114.554 0.116 0.000 2.833 123 T HA 0.217 4.572 4.350 0.007 0.000 0.297 123 T C -0.793 174.022 174.700 0.191 0.000 1.015 123 T CA -0.228 61.963 62.100 0.151 0.000 0.963 123 T CB 0.345 69.281 68.868 0.113 0.000 0.955 123 T HN 0.246 nan 8.240 nan 0.000 0.449 124 Y N 4.682 125.046 120.300 0.107 0.000 2.529 124 Y HA 0.300 4.854 4.550 0.007 0.000 0.342 124 Y C 0.347 176.312 175.900 0.108 0.000 1.249 124 Y CA -0.289 57.872 58.100 0.102 0.000 1.810 124 Y CB -0.645 37.870 38.460 0.092 0.000 1.653 124 Y HN 0.614 nan 8.280 nan 0.000 0.451 125 S N 1.807 117.471 115.700 -0.060 0.000 2.575 125 S HA 0.696 5.170 4.470 0.007 0.000 0.278 125 S C -0.455 174.097 174.600 -0.080 0.000 1.139 125 S CA -0.799 57.386 58.200 -0.025 0.000 0.954 125 S CB 1.208 64.452 63.200 0.073 0.000 1.054 125 S HN 0.501 nan 8.310 nan 0.000 0.483 126 S N 2.028 117.678 115.700 -0.083 0.000 2.730 126 S HA 0.895 5.369 4.470 0.007 0.000 0.284 126 S C 0.540 175.130 174.600 -0.017 0.000 1.153 126 S CA -0.566 57.578 58.200 -0.092 0.000 0.995 126 S CB 0.673 63.780 63.200 -0.155 0.000 1.058 126 S HN 1.300 nan 8.310 nan 0.000 0.552 127 G N -0.488 108.283 108.800 -0.049 0.000 2.451 127 G HA2 0.568 4.532 3.960 0.007 0.000 0.303 127 G HA3 0.568 4.532 3.960 0.007 0.000 0.303 127 G C -1.439 173.377 174.900 -0.140 0.000 1.166 127 G CA -0.624 44.506 45.100 0.050 0.000 0.884 127 G HN 0.473 nan 8.290 nan 0.000 0.514 128 L N 1.123 122.336 121.223 -0.017 0.000 2.316 128 L HA 0.477 4.821 4.340 0.007 0.000 0.280 128 L C -0.508 176.487 176.870 0.207 0.000 1.006 128 L CA -0.598 54.220 54.840 -0.036 0.000 0.836 128 L CB 0.751 42.812 42.059 0.003 0.000 1.221 128 L HN 0.425 nan 8.230 nan 0.000 0.418 129 F N 2.718 122.766 119.950 0.164 0.000 2.458 129 F HA 0.775 5.306 4.527 0.007 0.000 0.330 129 F C 0.110 176.015 175.800 0.175 0.000 1.082 129 F CA -1.342 56.756 58.000 0.163 0.000 0.995 129 F CB 2.142 41.216 39.000 0.123 0.000 1.170 129 F HN -0.007 nan 8.300 nan 0.000 0.478 130 V N 1.411 121.536 119.914 0.352 0.000 2.686 130 V HA 0.145 4.269 4.120 0.007 0.000 0.306 130 V C -0.815 175.399 176.094 0.199 0.000 1.065 130 V CA -1.018 61.464 62.300 0.303 0.000 0.894 130 V CB 2.063 34.094 31.823 0.347 0.000 1.004 130 V HN 0.602 nan 8.190 nan 0.000 0.424 131 D N 3.028 123.551 120.400 0.205 0.000 2.434 131 D HA 0.243 4.887 4.640 0.007 0.000 0.252 131 D C -0.396 175.906 176.300 0.004 0.000 1.185 131 D CA 0.616 54.674 54.000 0.096 0.000 0.886 131 D CB 1.382 42.270 40.800 0.147 0.000 1.148 131 D HN 0.244 nan 8.370 nan 0.000 0.483 132 V N 3.888 123.748 119.914 -0.091 0.000 2.487 132 V HA 0.326 4.450 4.120 0.007 0.000 0.298 132 V C 0.244 176.243 176.094 -0.158 0.000 1.028 132 V CA -0.825 61.337 62.300 -0.231 0.000 0.860 132 V CB 1.992 33.626 31.823 -0.316 0.000 0.991 132 V HN 0.311 nan 8.190 nan 0.000 0.427 133 K N 4.014 124.324 120.400 -0.151 0.000 2.288 133 K HA 0.917 5.242 4.320 0.007 0.000 0.234 133 K C -0.398 176.143 176.600 -0.097 0.000 1.037 133 K CA -0.859 55.372 56.287 -0.093 0.000 0.914 133 K CB 1.239 33.709 32.500 -0.050 0.000 1.197 133 K HN 0.715 nan 8.250 nan 0.000 0.471 165 V N 2.183 122.046 119.914 -0.084 0.000 2.555 165 V HA 0.471 4.596 4.120 0.007 0.000 0.302 165 V C -0.487 175.675 176.094 0.113 0.000 1.038 165 V CA -0.919 61.361 62.300 -0.035 0.000 0.887 165 V CB 1.487 33.311 31.823 0.002 0.000 0.991 165 V HN 0.294 nan 8.190 nan 0.000 0.434 166 F N 4.628 124.557 119.950 -0.036 0.000 2.456 166 F HA 0.457 4.989 4.527 0.007 0.000 0.358 166 F C 0.857 176.780 175.800 0.205 0.000 1.095 166 F CA -0.204 57.907 58.000 0.186 0.000 1.216 166 F CB 0.627 39.708 39.000 0.134 0.000 1.125 166 F HN 0.410 nan 8.300 nan 0.000 0.549 167 I N 3.369 123.637 120.570 -0.503 0.000 4.124 167 I HA 0.352 4.526 4.170 0.007 0.000 0.311 167 I C 0.919 176.703 176.117 -0.555 0.000 1.259 167 I CA 0.513 61.611 61.300 -0.338 0.000 1.315 167 I CB 0.321 38.315 38.000 -0.010 0.000 1.223 167 I HN 0.730 nan 8.210 nan 0.000 0.441 168 G N 1.420 109.673 108.800 -0.912 0.000 2.337 168 G HA2 0.237 4.201 3.960 0.007 0.000 0.298 168 G HA3 0.237 4.201 3.960 0.007 0.000 0.298 168 G C -1.361 173.471 174.900 -0.114 0.000 1.335 168 G CA -0.936 43.885 45.100 -0.466 0.000 0.875 168 G HN -0.059 nan 8.290 nan 0.000 0.579 169 R N -0.330 120.223 120.500 0.087 0.000 2.387 169 R HA 0.531 4.875 4.340 0.007 0.000 0.314 169 R C -0.942 175.426 176.300 0.114 0.000 0.958 169 R CA -0.771 55.413 56.100 0.140 0.000 0.846 169 R CB 2.124 32.532 30.300 0.179 0.000 1.147 169 R HN 0.467 nan 8.270 nan 0.000 0.447 170 L N 5.115 126.400 121.223 0.104 0.000 2.265 170 L HA 0.457 4.801 4.340 0.007 0.000 0.289 170 L C -2.504 174.454 176.870 0.146 0.000 1.033 170 L CA -1.943 52.971 54.840 0.123 0.000 0.814 170 L CB 1.220 43.340 42.059 0.102 0.000 1.203 170 L HN 0.374 nan 8.230 nan 0.000 0.423 171 P HA 0.115 nan 4.420 nan 0.000 0.265 171 P C -0.890 176.658 177.300 0.414 0.000 1.187 171 P CA 0.532 63.758 63.100 0.210 0.000 0.766 171 P CB 0.383 32.135 31.700 0.088 0.000 0.820 172 I N 2.767 123.574 120.570 0.395 0.000 2.441 172 I HA 0.365 4.540 4.170 0.007 0.000 0.295 172 I C 0.609 176.702 176.117 -0.040 0.000 0.994 172 I CA -1.083 60.402 61.300 0.309 0.000 1.144 172 I CB 1.628 39.713 38.000 0.141 0.000 1.314 172 I HN 0.290 nan 8.210 nan 0.000 0.445 173 M N 5.914 124.942 119.600 -0.953 0.000 2.217 173 M HA 0.246 4.731 4.480 0.007 0.000 0.352 173 M C -0.909 174.931 176.300 -0.766 0.000 1.376 173 M CA -0.404 54.050 55.300 -1.410 0.000 1.107 173 M CB 0.583 32.060 32.600 -1.872 0.000 1.723 173 M HN 0.376 nan 8.290 nan 0.000 0.461 174 L N 5.195 125.974 121.223 -0.739 0.000 2.467 174 L HA 0.159 4.503 4.340 0.007 0.000 0.270 174 L C 1.204 177.800 176.870 -0.457 0.000 1.205 174 L CA 0.751 55.240 54.840 -0.585 0.000 0.828 174 L CB 0.185 41.738 42.059 -0.843 0.000 1.101 174 L HN 0.939 nan 8.230 nan 0.000 0.479 175 R N -0.659 119.676 120.500 -0.275 0.000 3.977 175 R HA -0.188 4.156 4.340 0.007 0.000 0.428 175 R C 0.137 176.353 176.300 -0.140 0.000 1.079 175 R CA 1.117 57.110 56.100 -0.178 0.000 1.269 175 R CB -1.618 28.574 30.300 -0.180 0.000 1.856 175 R HN 0.896 nan 8.270 nan 0.000 0.551 176 S N -0.793 114.804 115.700 -0.172 0.000 2.645 176 S HA 0.297 4.772 4.470 0.007 0.000 0.266 176 S C 1.163 175.763 174.600 -0.001 0.000 1.258 176 S CA -0.264 57.888 58.200 -0.080 0.000 0.990 176 S CB 1.573 64.698 63.200 -0.126 0.000 0.967 176 S HN 0.302 nan 8.310 nan 0.000 0.556 177 K N 0.854 121.287 120.400 0.056 0.000 2.097 177 K HA -0.267 4.057 4.320 0.007 0.000 0.214 177 K C 1.773 178.377 176.600 0.007 0.000 1.052 177 K CA 2.433 58.741 56.287 0.036 0.000 0.932 177 K CB -0.506 32.021 32.500 0.044 0.000 0.716 177 K HN 0.604 nan 8.250 nan 0.000 0.455 178 N N 0.305 119.017 118.700 0.019 0.000 2.124 178 N HA -0.084 4.660 4.740 0.007 0.000 0.189 178 N C 0.390 175.817 175.510 -0.139 0.000 1.050 178 N CA 0.629 53.642 53.050 -0.061 0.000 0.848 178 N CB -0.358 38.108 38.487 -0.035 0.000 1.027 178 N HN 0.216 nan 8.380 nan 0.000 0.435 179 C N 2.015 121.280 119.300 -0.057 0.000 1.912 179 C HA -0.169 4.295 4.460 0.007 0.000 0.414 179 C C 1.473 176.487 174.990 0.040 0.000 1.545 179 C CA -0.409 58.644 59.018 0.059 0.000 1.468 179 C CB -1.903 25.921 27.740 0.141 0.000 2.697 179 C HN 0.478 nan 8.230 nan 0.000 0.597 180 Y N 3.621 124.058 120.300 0.227 0.000 2.096 180 Y HA -0.272 4.282 4.550 0.007 0.000 0.276 180 Y C 2.217 178.166 175.900 0.083 0.000 1.209 180 Y CA 2.354 60.559 58.100 0.175 0.000 1.137 180 Y CB -0.601 38.052 38.460 0.322 0.000 0.956 180 Y HN 0.671 nan 8.280 nan 0.000 0.506 181 L N 0.073 121.424 121.223 0.213 0.000 2.263 181 L HA -0.262 4.082 4.340 0.007 0.000 0.216 181 L C 2.391 179.269 176.870 0.014 0.000 1.111 181 L CA 1.533 56.407 54.840 0.056 0.000 0.773 181 L CB -0.940 41.107 42.059 -0.020 0.000 0.906 181 L HN 0.375 nan 8.230 nan 0.000 0.439 182 S N -1.040 114.671 115.700 0.019 0.000 2.507 182 S HA -0.121 4.354 4.470 0.007 0.000 0.235 182 S C 1.050 175.656 174.600 0.011 0.000 0.988 182 S CA 0.647 58.845 58.200 -0.004 0.000 0.944 182 S CB -0.166 63.028 63.200 -0.011 0.000 0.762 182 S HN 0.551 nan 8.310 nan 0.000 0.526 183 E N 0.863 121.083 120.200 0.034 0.000 3.646 183 E HA 0.565 4.920 4.350 0.007 0.000 0.211 183 E C -0.744 175.872 176.600 0.027 0.000 1.034 183 E CA -0.288 56.132 56.400 0.033 0.000 1.341 183 E CB 1.201 30.932 29.700 0.051 0.000 1.202 183 E HN 0.531 nan 8.360 nan 0.000 0.447 184 A N 0.892 123.713 122.820 0.002 0.000 2.393 184 A HA 0.538 4.863 4.320 0.007 0.000 0.306 184 A C 0.309 177.870 177.584 -0.038 0.000 1.050 184 A CA -0.685 51.340 52.037 -0.020 0.000 0.724 184 A CB 1.155 20.131 19.000 -0.040 0.000 1.248 184 A HN 0.185 nan 8.150 nan 0.000 0.424 185 T N -0.907 113.626 114.554 -0.035 0.000 2.652 185 T HA 0.155 4.509 4.350 0.007 0.000 0.319 185 T C 0.984 175.645 174.700 -0.064 0.000 1.029 185 T CA 0.922 62.999 62.100 -0.038 0.000 0.990 185 T CB 0.428 69.284 68.868 -0.020 0.000 1.098 185 T HN 0.717 nan 8.240 nan 0.000 0.520 186 E N -0.134 120.032 120.200 -0.057 0.000 2.016 186 E HA -0.127 4.227 4.350 0.007 0.000 0.190 186 E C 2.290 178.890 176.600 -0.001 0.000 0.985 186 E CA 1.342 57.692 56.400 -0.084 0.000 0.802 186 E CB -0.366 29.308 29.700 -0.043 0.000 0.762 186 E HN 0.820 nan 8.360 nan 0.000 0.448 187 S N 0.294 116.042 115.700 0.080 0.000 2.537 187 S HA -0.144 4.330 4.470 0.007 0.000 0.240 187 S C 1.436 176.069 174.600 0.056 0.000 0.981 187 S CA 1.235 59.512 58.200 0.129 0.000 0.948 187 S CB 0.042 63.274 63.200 0.054 0.000 0.759 187 S HN 0.212 nan 8.310 nan 0.000 0.531 188 D N 1.398 121.794 120.400 -0.007 0.000 2.216 188 D HA 0.142 4.786 4.640 0.007 0.000 0.208 188 D C 1.773 178.021 176.300 -0.086 0.000 0.960 188 D CA 0.664 54.636 54.000 -0.046 0.000 0.861 188 D CB -0.149 40.619 40.800 -0.053 0.000 0.985 188 D HN 0.436 nan 8.370 nan 0.000 0.493 189 L N -0.625 120.522 121.223 -0.128 0.000 2.179 189 L HA -0.074 4.270 4.340 0.007 0.000 0.208 189 L C 2.243 179.005 176.870 -0.179 0.000 1.096 189 L CA 0.525 55.250 54.840 -0.191 0.000 0.779 189 L CB -0.410 41.487 42.059 -0.271 0.000 0.922 189 L HN 0.071 nan 8.230 nan 0.000 0.443 190 Y N 0.457 120.700 120.300 -0.096 0.000 2.181 190 Y HA -0.250 4.304 4.550 0.007 0.000 0.288 190 Y C 2.661 178.508 175.900 -0.088 0.000 1.146 190 Y CA 1.196 59.242 58.100 -0.091 0.000 1.164 190 Y CB -0.064 38.342 38.460 -0.089 0.000 0.982 190 Y HN 0.026 nan 8.280 nan 0.000 0.515 191 K N 0.073 120.512 120.400 0.064 0.000 2.209 191 K HA -0.152 4.172 4.320 0.007 0.000 0.204 191 K C 1.485 178.053 176.600 -0.052 0.000 1.048 191 K CA 0.995 57.278 56.287 -0.005 0.000 0.940 191 K CB -0.193 32.288 32.500 -0.032 0.000 0.729 191 K HN 0.336 nan 8.250 nan 0.000 0.451 192 L N 0.117 121.286 121.223 -0.089 0.000 2.592 192 L HA 0.021 4.366 4.340 0.007 0.000 0.227 192 L C 0.351 177.172 176.870 -0.082 0.000 1.127 192 L CA 0.362 55.118 54.840 -0.141 0.000 0.884 192 L CB 0.118 42.043 42.059 -0.224 0.000 1.065 192 L HN 0.125 nan 8.230 nan 0.000 0.457 193 K N -1.046 119.327 120.400 -0.045 0.000 3.547 193 K HA -0.183 4.141 4.320 0.007 0.000 0.309 193 K C 0.147 176.722 176.600 -0.041 0.000 1.324 193 K CA 0.895 57.166 56.287 -0.028 0.000 0.988 193 K CB -0.749 31.742 32.500 -0.016 0.000 1.261 193 K HN 0.221 nan 8.250 nan 0.000 0.444 194 E N 0.823 120.980 120.200 -0.072 0.000 2.283 194 E HA 0.103 4.457 4.350 0.007 0.000 0.278 194 E C -0.333 176.187 176.600 -0.133 0.000 1.027 194 E CA -0.293 56.062 56.400 -0.075 0.000 0.843 194 E CB 1.457 31.110 29.700 -0.079 0.000 1.062 194 E HN 0.250 nan 8.360 nan 0.000 0.401 195 C N 6.378 125.627 119.300 -0.085 0.000 2.629 195 C HA 0.146 4.611 4.460 0.007 0.000 0.410 195 C C -0.835 174.043 174.990 -0.186 0.000 1.339 195 C CA -1.580 57.368 59.018 -0.117 0.000 1.810 195 C CB -0.180 27.567 27.740 0.011 0.000 2.549 195 C HN 0.566 nan 8.230 nan 0.000 0.589 196 P HA -0.105 nan 4.420 nan 0.000 0.225 196 P C 0.994 178.068 177.300 -0.377 0.000 1.148 196 P CA 1.602 64.412 63.100 -0.482 0.000 0.779 196 P CB -0.069 31.164 31.700 -0.778 0.000 0.780 197 F N -0.244 119.620 119.950 -0.145 0.000 2.664 197 F HA 0.088 4.619 4.527 0.007 0.000 0.296 197 F C 1.318 177.178 175.800 0.101 0.000 1.125 197 F CA -0.176 57.769 58.000 -0.093 0.000 1.444 197 F CB -0.171 38.642 39.000 -0.311 0.000 1.114 197 F HN -0.162 nan 8.300 nan 0.000 0.576 198 D N 1.972 122.509 120.400 0.229 0.000 2.472 198 D HA -0.058 4.586 4.640 0.007 0.000 0.248 198 D C 1.394 177.811 176.300 0.195 0.000 1.174 198 D CA 0.144 54.294 54.000 0.250 0.000 0.883 198 D CB 0.858 41.761 40.800 0.172 0.000 1.149 198 D HN 0.126 nan 8.370 nan 0.000 0.488 199 M N 2.775 122.502 119.600 0.212 0.000 2.287 199 M HA 0.135 4.620 4.480 0.007 0.000 0.266 199 M C 0.965 177.288 176.300 0.039 0.000 1.079 199 M CA 1.117 56.483 55.300 0.110 0.000 1.146 199 M CB -1.296 31.337 32.600 0.056 0.000 1.374 199 M HN 0.389 nan 8.290 nan 0.000 0.435 200 G N -0.093 108.769 108.800 0.104 0.000 2.760 200 G HA2 0.157 4.121 3.960 0.007 0.000 0.246 200 G HA3 0.157 4.121 3.960 0.007 0.000 0.246 200 G C 0.500 175.293 174.900 -0.179 0.000 1.359 200 G CA 0.538 45.523 45.100 -0.192 0.000 0.861 200 G HN 1.567 nan 8.290 nan 0.000 0.541 201 G N -2.683 105.861 108.800 -0.426 0.000 2.184 201 G HA2 0.209 4.174 3.960 0.007 0.000 0.206 201 G HA3 0.209 4.174 3.960 0.007 0.000 0.206 201 G C 0.375 175.058 174.900 -0.362 0.000 0.995 201 G CA 1.174 46.071 45.100 -0.340 0.000 0.651 201 G HN 2.343 nan 8.290 nan 0.000 0.511 202 Y N -0.762 119.321 120.300 -0.362 0.000 2.568 202 Y HA 0.847 5.402 4.550 0.007 0.000 0.327 202 Y C -0.057 175.580 175.900 -0.438 0.000 1.163 202 Y CA -2.471 55.449 58.100 -0.301 0.000 1.219 202 Y CB 0.846 39.216 38.460 -0.150 0.000 1.308 202 Y HN -0.032 nan 8.280 nan 0.000 0.503 203 F N 0.961 120.966 119.950 0.092 0.000 2.507 203 F HA 0.560 5.091 4.527 0.007 0.000 0.327 203 F C -0.291 175.600 175.800 0.151 0.000 1.068 203 F CA -1.002 57.026 58.000 0.046 0.000 0.965 203 F CB 1.644 40.678 39.000 0.056 0.000 1.192 203 F HN 0.310 nan 8.300 nan 0.000 0.476 204 I N 4.123 124.893 120.570 0.332 0.000 2.307 204 I HA 0.295 4.469 4.170 0.007 0.000 0.289 204 I C -1.022 175.239 176.117 0.240 0.000 1.021 204 I CA -0.415 61.045 61.300 0.267 0.000 1.224 204 I CB 0.942 39.080 38.000 0.230 0.000 1.376 204 I HN 0.311 nan 8.210 nan 0.000 0.470 205 I N 6.692 127.373 120.570 0.185 0.000 2.389 205 I HA 0.293 4.468 4.170 0.007 0.000 0.288 205 I C 0.676 176.856 176.117 0.106 0.000 0.999 205 I CA -0.209 61.170 61.300 0.132 0.000 1.129 205 I CB 1.012 39.072 38.000 0.100 0.000 1.288 205 I HN 0.472 nan 8.210 nan 0.000 0.444 206 N N 5.264 124.020 118.700 0.093 0.000 2.644 206 N HA -0.258 4.487 4.740 0.007 0.000 0.248 206 N C 1.042 176.607 175.510 0.092 0.000 1.150 206 N CA 1.386 54.481 53.050 0.075 0.000 0.727 206 N CB -0.592 37.930 38.487 0.058 0.000 1.091 206 N HN 1.143 nan 8.380 nan 0.000 0.556 207 G N -1.936 106.930 108.800 0.110 0.000 2.231 207 G HA2 -0.238 3.727 3.960 0.007 0.000 0.206 207 G HA3 -0.238 3.727 3.960 0.007 0.000 0.206 207 G C -0.117 174.848 174.900 0.107 0.000 0.996 207 G CA 0.396 45.567 45.100 0.119 0.000 0.645 207 G HN 1.145 nan 8.290 nan 0.000 0.498 208 S N 0.257 116.015 115.700 0.096 0.000 2.478 208 S HA 0.644 5.118 4.470 0.007 0.000 0.312 208 S C -0.360 174.289 174.600 0.083 0.000 1.094 208 S CA -0.521 57.721 58.200 0.070 0.000 1.081 208 S CB 2.052 65.282 63.200 0.051 0.000 1.007 208 S HN 0.316 nan 8.310 nan 0.000 0.475 209 E N 3.160 123.391 120.200 0.051 0.000 2.406 209 E HA 0.046 4.401 4.350 0.007 0.000 0.247 209 E C -0.100 176.551 176.600 0.084 0.000 1.160 209 E CA 0.183 56.629 56.400 0.076 0.000 0.950 209 E CB 0.265 29.865 29.700 -0.167 0.000 0.993 209 E HN 0.361 nan 8.360 nan 0.000 0.472 210 K N 2.187 122.687 120.400 0.168 0.000 2.143 210 K HA 0.364 4.688 4.320 0.007 0.000 0.272 210 K C -0.439 176.284 176.600 0.206 0.000 1.001 210 K CA -0.659 55.721 56.287 0.155 0.000 0.915 210 K CB 1.847 34.440 32.500 0.156 0.000 1.047 210 K HN 0.156 nan 8.250 nan 0.000 0.458 211 V N 3.940 123.915 119.914 0.102 0.000 2.540 211 V HA 0.297 4.421 4.120 0.007 0.000 0.302 211 V C 0.150 176.254 176.094 0.017 0.000 1.035 211 V CA -0.943 61.382 62.300 0.043 0.000 0.873 211 V CB 1.864 33.569 31.823 -0.198 0.000 0.992 211 V HN 0.568 nan 8.190 nan 0.000 0.428 212 L N 5.580 126.857 121.223 0.089 0.000 2.315 212 L HA 0.384 4.728 4.340 0.007 0.000 0.283 212 L C -0.463 176.347 176.870 -0.100 0.000 1.089 212 L CA -0.246 54.591 54.840 -0.004 0.000 0.833 212 L CB 0.966 43.085 42.059 0.101 0.000 1.170 212 L HN 0.450 nan 8.230 nan 0.000 0.442 213 I N 3.642 124.115 120.570 -0.161 0.000 2.342 213 I HA 0.198 4.372 4.170 0.007 0.000 0.291 213 I C 0.848 176.874 176.117 -0.152 0.000 1.010 213 I CA -0.455 60.754 61.300 -0.152 0.000 1.308 213 I CB 1.371 39.291 38.000 -0.134 0.000 1.400 213 I HN 0.545 nan 8.210 nan 0.000 0.488 214 A N 7.913 130.666 122.820 -0.112 0.000 2.566 214 A HA 0.088 4.413 4.320 0.007 0.000 0.245 214 A C 0.294 177.820 177.584 -0.097 0.000 1.056 214 A CA -0.037 51.942 52.037 -0.097 0.000 0.757 214 A CB -0.096 18.864 19.000 -0.066 0.000 0.979 214 A HN 0.651 nan 8.150 nan 0.000 0.508 215 Q N 2.058 121.792 119.800 -0.110 0.000 2.509 215 Q HA 0.159 4.503 4.340 0.007 0.000 0.236 215 Q C -0.190 175.772 176.000 -0.063 0.000 1.073 215 Q CA -0.122 55.622 55.803 -0.098 0.000 0.867 215 Q CB 1.137 29.790 28.738 -0.141 0.000 1.181 215 Q HN 0.913 nan 8.270 nan 0.000 0.526 216 E N 3.388 123.569 120.200 -0.032 0.000 2.415 216 E HA 0.108 4.463 4.350 0.007 0.000 0.260 216 E C -0.573 176.021 176.600 -0.010 0.000 1.016 216 E CA -0.074 56.321 56.400 -0.008 0.000 0.924 216 E CB 0.454 30.190 29.700 0.059 0.000 0.961 216 E HN 0.363 nan 8.360 nan 0.000 0.459 217 R N 1.986 122.470 120.500 -0.027 0.000 2.867 217 R HA 0.396 4.740 4.340 0.007 0.000 0.268 217 R C -0.883 175.399 176.300 -0.030 0.000 1.014 217 R CA -0.935 55.153 56.100 -0.022 0.000 0.946 217 R CB 1.084 31.368 30.300 -0.026 0.000 1.208 217 R HN 0.264 nan 8.270 nan 0.000 0.477 218 S N 0.590 116.279 115.700 -0.018 0.000 2.549 218 S HA 0.490 4.965 4.470 0.007 0.000 0.279 218 S C 0.148 174.722 174.600 -0.044 0.000 1.321 218 S CA -0.132 58.056 58.200 -0.021 0.000 1.054 218 S CB -0.011 63.190 63.200 0.002 0.000 0.899 218 S HN 0.790 nan 8.310 nan 0.000 0.497 219 A N 4.205 126.981 122.820 -0.074 0.000 2.445 219 A HA 0.596 4.920 4.320 0.007 0.000 0.242 219 A C 0.880 178.418 177.584 -0.076 0.000 1.075 219 A CA 0.089 52.065 52.037 -0.102 0.000 0.777 219 A CB -0.214 18.682 19.000 -0.174 0.000 1.013 219 A HN 1.074 nan 8.150 nan 0.000 0.493 220 G N -0.352 108.401 108.800 -0.078 0.000 2.642 220 G HA2 0.450 4.414 3.960 0.007 0.000 0.291 220 G HA3 0.450 4.414 3.960 0.007 0.000 0.291 220 G C -0.126 174.707 174.900 -0.112 0.000 1.345 220 G CA -0.377 44.677 45.100 -0.077 0.000 1.043 220 G HN 0.956 nan 8.290 nan 0.000 0.528 221 N N -1.611 116.974 118.700 -0.192 0.000 2.727 221 N HA -0.155 4.589 4.740 0.007 0.000 0.249 221 N C -0.700 174.720 175.510 -0.151 0.000 1.048 221 N CA 0.979 53.813 53.050 -0.360 0.000 0.714 221 N CB -1.249 37.028 38.487 -0.351 0.000 0.959 221 N HN 0.506 nan 8.380 nan 0.000 0.544 222 I N -0.456 120.070 120.570 -0.073 0.000 2.571 222 I HA 0.263 4.437 4.170 0.007 0.000 0.289 222 I C -0.048 176.072 176.117 0.006 0.000 1.115 222 I CA -1.086 60.206 61.300 -0.014 0.000 1.045 222 I CB 2.161 40.147 38.000 -0.023 0.000 1.238 222 I HN -0.261 nan 8.210 nan 0.000 0.424 223 V N 5.779 125.705 119.914 0.020 0.000 2.583 223 V HA 0.332 4.456 4.120 0.007 0.000 0.287 223 V C -0.140 175.882 176.094 -0.119 0.000 1.051 223 V CA -0.289 62.006 62.300 -0.008 0.000 1.010 223 V CB 0.926 32.757 31.823 0.012 0.000 0.988 223 V HN 0.711 nan 8.190 nan 0.000 0.478 224 Q N 2.481 122.147 119.800 -0.224 0.000 2.269 224 Q HA 0.494 4.838 4.340 0.007 0.000 0.263 224 Q C -1.045 174.473 176.000 -0.804 0.000 0.983 224 Q CA -0.675 54.833 55.803 -0.492 0.000 0.777 224 Q CB 2.666 31.111 28.738 -0.488 0.000 1.273 224 Q HN 0.788 nan 8.270 nan 0.000 0.440 225 V N 0.033 119.558 119.914 -0.647 0.000 2.498 225 V HA 0.650 4.775 4.120 0.007 0.000 0.279 225 V C -0.530 175.225 176.094 -0.564 0.000 1.048 225 V CA -0.239 61.779 62.300 -0.470 0.000 0.967 225 V CB 0.046 31.753 31.823 -0.193 0.000 0.988 225 V HN 0.551 nan 8.190 nan 0.000 0.473 226 F N 1.783 121.755 119.950 0.037 0.000 2.588 226 F HA 0.600 5.132 4.527 0.007 0.000 0.314 226 F C 0.347 176.123 175.800 -0.039 0.000 1.069 226 F CA -1.160 56.842 58.000 0.004 0.000 0.931 226 F CB 2.495 41.494 39.000 -0.001 0.000 1.260 226 F HN 0.365 nan 8.300 nan 0.000 0.465 227 K N 2.757 123.217 120.400 0.099 0.000 2.234 227 K HA 0.339 4.663 4.320 0.007 0.000 0.277 227 K C -0.436 176.127 176.600 -0.061 0.000 1.038 227 K CA -0.776 55.424 56.287 -0.144 0.000 0.888 227 K CB 1.720 34.072 32.500 -0.247 0.000 1.091 227 K HN 0.535 nan 8.250 nan 0.000 0.467 228 K N 1.088 121.452 120.400 -0.060 0.000 2.118 228 K HA 0.279 4.603 4.320 0.007 0.000 0.240 228 K C 0.489 177.056 176.600 -0.056 0.000 1.035 228 K CA -0.356 55.909 56.287 -0.037 0.000 0.899 228 K CB 0.908 33.399 32.500 -0.015 0.000 1.085 228 K HN 0.672 nan 8.250 nan 0.000 0.498 229 A N 0.500 123.294 122.820 -0.044 0.000 2.267 229 A HA 0.308 4.633 4.320 0.007 0.000 0.276 229 A C 1.072 178.634 177.584 -0.036 0.000 1.336 229 A CA 0.881 52.894 52.037 -0.041 0.000 0.815 229 A CB -0.293 18.686 19.000 -0.035 0.000 1.256 229 A HN 0.797 nan 8.150 nan 0.000 0.512 230 A N -0.985 121.818 122.820 -0.029 0.000 1.943 230 A HA 0.259 4.584 4.320 0.007 0.000 0.213 230 A C -1.250 176.321 177.584 -0.022 0.000 1.181 230 A CA 0.890 52.913 52.037 -0.023 0.000 0.653 230 A CB -1.434 17.555 19.000 -0.017 0.000 0.833 230 A HN 0.552 nan 8.150 nan 0.000 0.451 231 P HA 0.383 nan 4.420 nan 0.000 0.225 231 P C -0.732 176.549 177.300 -0.033 0.000 1.830 231 P CA 0.337 63.422 63.100 -0.024 0.000 1.051 231 P CB 0.406 32.093 31.700 -0.021 0.000 1.929 232 S N 1.872 117.549 115.700 -0.039 0.000 2.542 232 S HA 0.432 4.906 4.470 0.007 0.000 0.276 232 S C -2.169 172.386 174.600 -0.076 0.000 1.148 232 S CA -1.067 57.098 58.200 -0.058 0.000 0.886 232 S CB 1.253 64.422 63.200 -0.052 0.000 1.109 232 S HN -0.029 nan 8.310 nan 0.000 0.458 233 P HA 0.152 nan 4.420 nan 0.000 0.220 233 P C 0.314 177.501 177.300 -0.189 0.000 1.152 233 P CA 0.458 63.449 63.100 -0.181 0.000 0.812 233 P CB -0.153 31.357 31.700 -0.318 0.000 0.792 234 I N 0.040 120.499 120.570 -0.185 0.000 2.634 234 I HA -0.008 4.166 4.170 0.007 0.000 0.284 234 I C 2.006 178.131 176.117 0.013 0.000 1.124 234 I CA 0.546 61.800 61.300 -0.077 0.000 1.417 234 I CB 0.563 38.542 38.000 -0.035 0.000 1.396 234 I HN -0.108 nan 8.210 nan 0.000 0.571 235 S N 4.181 119.945 115.700 0.105 0.000 2.431 235 S HA 0.225 4.699 4.470 0.007 0.000 0.210 235 S C 0.517 175.222 174.600 0.175 0.000 1.013 235 S CA 0.354 58.668 58.200 0.190 0.000 0.920 235 S CB 0.072 63.469 63.200 0.328 0.000 0.882 235 S HN 0.646 nan 8.310 nan 0.000 0.567 236 H N -1.093 118.005 119.070 0.047 0.000 2.864 236 H HA 0.749 5.309 4.556 0.007 0.000 0.354 236 H C -1.418 173.950 175.328 0.066 0.000 1.208 236 H CA -0.988 55.092 56.048 0.053 0.000 1.191 236 H CB 1.727 31.506 29.762 0.028 0.000 1.889 236 H HN 0.175 nan 8.280 nan 0.000 0.574 237 V N -0.008 120.026 119.914 0.199 0.000 3.120 237 V HA 0.517 4.641 4.120 0.007 0.000 0.303 237 V C -1.117 175.013 176.094 0.060 0.000 1.238 237 V CA -0.805 61.578 62.300 0.139 0.000 1.008 237 V CB 2.126 34.044 31.823 0.158 0.000 1.064 237 V HN 0.934 nan 8.190 nan 0.000 0.434 238 A N 2.530 125.372 122.820 0.037 0.000 2.311 238 A HA 0.795 5.119 4.320 0.007 0.000 0.306 238 A C -0.545 177.048 177.584 0.015 0.000 1.189 238 A CA -0.482 51.534 52.037 -0.034 0.000 0.791 238 A CB 0.855 19.835 19.000 -0.035 0.000 1.172 238 A HN 0.775 nan 8.150 nan 0.000 0.481 239 E N 1.166 121.361 120.200 -0.008 0.000 2.222 239 E HA 0.688 5.043 4.350 0.007 0.000 0.272 239 E C -1.345 175.282 176.600 0.044 0.000 0.982 239 E CA -0.531 55.906 56.400 0.061 0.000 0.842 239 E CB 2.186 31.980 29.700 0.157 0.000 1.144 239 E HN 0.644 nan 8.360 nan 0.000 0.397 240 I N 1.537 122.137 120.570 0.050 0.000 2.710 240 I HA 0.258 4.432 4.170 0.007 0.000 0.290 240 I C -1.511 174.607 176.117 0.000 0.000 1.318 240 I CA -0.527 60.790 61.300 0.029 0.000 1.045 240 I CB 1.562 39.600 38.000 0.063 0.000 1.307 240 I HN 0.404 nan 8.210 nan 0.000 0.424 241 R N 4.685 125.171 120.500 -0.024 0.000 2.287 241 R HA 0.392 4.736 4.340 0.007 0.000 0.316 241 R C -0.692 175.566 176.300 -0.070 0.000 1.050 241 R CA -0.405 55.678 56.100 -0.029 0.000 0.983 241 R CB 1.472 31.764 30.300 -0.013 0.000 1.140 241 R HN 0.613 nan 8.270 nan 0.000 0.528 242 S N 0.961 116.629 115.700 -0.054 0.000 2.525 242 S HA 0.880 5.354 4.470 0.007 0.000 0.290 242 S C -0.288 174.325 174.600 0.021 0.000 1.152 242 S CA -0.805 57.359 58.200 -0.060 0.000 1.072 242 S CB 2.221 65.466 63.200 0.075 0.000 1.027 242 S HN 0.577 nan 8.310 nan 0.000 0.500 243 A N 2.349 125.189 122.820 0.034 0.000 2.594 243 A HA 0.581 4.905 4.320 0.007 0.000 0.296 243 A C -0.995 176.636 177.584 0.079 0.000 1.061 243 A CA -0.901 51.181 52.037 0.074 0.000 0.689 243 A CB 0.793 19.830 19.000 0.061 0.000 1.280 243 A HN 0.847 nan 8.150 nan 0.000 0.406 244 L N 2.219 123.494 121.223 0.086 0.000 2.410 244 L HA 0.161 4.506 4.340 0.007 0.000 0.273 244 L C 1.539 178.447 176.870 0.064 0.000 1.144 244 L CA -0.092 54.789 54.840 0.069 0.000 0.863 244 L CB 0.776 42.864 42.059 0.048 0.000 1.140 244 L HN 1.009 nan 8.230 nan 0.000 0.463 245 E N 2.677 122.912 120.200 0.059 0.000 2.118 245 E HA -0.187 4.168 4.350 0.007 0.000 0.195 245 E C 0.042 176.674 176.600 0.053 0.000 0.992 245 E CA 1.347 57.778 56.400 0.053 0.000 0.804 245 E CB 0.144 29.874 29.700 0.050 0.000 0.741 245 E HN 0.519 nan 8.360 nan 0.000 0.458 246 K N -1.233 119.195 120.400 0.048 0.000 3.098 246 K HA 0.442 4.766 4.320 0.007 0.000 0.170 246 K C -0.317 176.307 176.600 0.039 0.000 1.106 246 K CA -0.295 56.020 56.287 0.046 0.000 0.864 246 K CB 1.269 33.791 32.500 0.036 0.000 1.047 246 K HN 0.046 nan 8.250 nan 0.000 0.609 247 G N 0.404 109.229 108.800 0.041 0.000 4.574 247 G HA2 0.218 4.182 3.960 0.007 0.000 0.236 247 G HA3 0.218 4.182 3.960 0.007 0.000 0.236 247 G C 0.150 175.061 174.900 0.018 0.000 1.733 247 G CA 0.081 45.194 45.100 0.022 0.000 0.605 247 G HN 0.283 nan 8.290 nan 0.000 0.352 248 S N 0.052 115.779 115.700 0.044 0.000 2.206 248 S HA -0.268 4.207 4.470 0.007 0.000 0.241 248 S C 0.986 175.665 174.600 0.132 0.000 1.163 248 S CA 2.025 60.260 58.200 0.058 0.000 1.532 248 S CB -1.087 62.102 63.200 -0.018 0.000 1.946 248 S HN 1.723 nan 8.310 nan 0.000 0.590 249 R N -0.994 119.586 120.500 0.133 0.000 1.558 249 R HA -0.135 4.210 4.340 0.007 0.000 0.397 249 R C -0.940 175.595 176.300 0.391 0.000 1.289 249 R CA 1.315 57.531 56.100 0.192 0.000 1.129 249 R CB -1.659 28.728 30.300 0.144 0.000 3.317 249 R HN 0.470 nan 8.270 nan 0.000 0.487 250 F N 4.419 124.388 119.950 0.032 0.000 2.564 250 F HA 0.353 4.885 4.527 0.007 0.000 0.361 250 F C 0.650 176.470 175.800 0.033 0.000 1.161 250 F CA -0.916 57.106 58.000 0.036 0.000 1.198 250 F CB 0.902 39.926 39.000 0.039 0.000 1.424 250 F HN 0.298 nan 8.300 nan 0.000 0.517 251 I N 3.198 123.801 120.570 0.056 0.000 2.278 251 I HA 0.102 4.276 4.170 0.007 0.000 0.300 251 I C 0.370 176.478 176.117 -0.015 0.000 1.174 251 I CA 0.075 61.389 61.300 0.023 0.000 1.347 251 I CB -0.332 37.675 38.000 0.011 0.000 1.473 251 I HN 0.356 nan 8.210 nan 0.000 0.595 252 S N 3.139 118.846 115.700 0.012 0.000 2.689 252 S HA 0.638 5.112 4.470 0.007 0.000 0.306 252 S C -0.134 174.472 174.600 0.010 0.000 1.104 252 S CA -0.662 57.541 58.200 0.006 0.000 0.973 252 S CB 2.186 65.408 63.200 0.036 0.000 1.121 252 S HN 0.318 nan 8.310 nan 0.000 0.523 253 T N 1.351 115.913 114.554 0.014 0.000 2.888 253 T HA 0.630 4.984 4.350 0.007 0.000 0.284 253 T C -1.282 173.427 174.700 0.015 0.000 1.017 253 T CA -0.412 61.696 62.100 0.014 0.000 1.022 253 T CB 1.021 69.904 68.868 0.024 0.000 1.013 253 T HN 0.530 nan 8.240 nan 0.000 0.465 254 L N 3.319 124.545 121.223 0.006 0.000 2.454 254 L HA 0.371 4.716 4.340 0.007 0.000 0.258 254 L C -0.358 176.539 176.870 0.045 0.000 1.025 254 L CA -0.138 54.702 54.840 0.000 0.000 0.901 254 L CB 1.142 43.136 42.059 -0.109 0.000 1.210 254 L HN 0.583 nan 8.230 nan 0.000 0.457 255 Q N 2.426 122.269 119.800 0.071 0.000 2.288 255 Q HA 0.464 4.808 4.340 0.007 0.000 0.258 255 Q C -0.912 175.150 176.000 0.102 0.000 0.957 255 Q CA -0.335 55.522 55.803 0.089 0.000 0.919 255 Q CB 1.940 30.736 28.738 0.096 0.000 1.185 255 Q HN 0.382 nan 8.270 nan 0.000 0.408 256 V N 4.463 124.438 119.914 0.101 0.000 2.334 256 V HA 0.284 4.409 4.120 0.007 0.000 0.281 256 V C -0.217 175.945 176.094 0.115 0.000 1.016 256 V CA -0.586 61.777 62.300 0.104 0.000 0.832 256 V CB 1.036 32.916 31.823 0.095 0.000 0.999 256 V HN 0.670 nan 8.190 nan 0.000 0.439 257 K N 3.759 124.243 120.400 0.140 0.000 2.210 257 K HA 0.782 5.107 4.320 0.007 0.000 0.236 257 K C -1.016 175.702 176.600 0.197 0.000 1.016 257 K CA -0.989 55.413 56.287 0.191 0.000 0.913 257 K CB 1.786 34.458 32.500 0.287 0.000 1.141 257 K HN 0.408 nan 8.250 nan 0.000 0.462 258 L N 1.991 123.359 121.223 0.241 0.000 2.490 258 L HA 0.315 4.659 4.340 0.007 0.000 0.256 258 L C -1.583 175.458 176.870 0.285 0.000 1.089 258 L CA -0.435 54.535 54.840 0.215 0.000 0.916 258 L CB 0.151 42.290 42.059 0.133 0.000 1.188 258 L HN 0.420 nan 8.230 nan 0.000 0.476 259 Y N 2.683 123.018 120.300 0.058 0.000 2.652 259 Y HA 0.437 4.992 4.550 0.007 0.000 0.344 259 Y C 1.387 177.317 175.900 0.050 0.000 1.254 259 Y CA 0.803 58.935 58.100 0.054 0.000 1.480 259 Y CB 0.442 38.932 38.460 0.050 0.000 1.345 259 Y HN 0.796 nan 8.280 nan 0.000 0.617 260 G N 3.074 111.954 108.800 0.133 0.000 3.285 260 G HA2 -0.189 3.775 3.960 0.007 0.000 0.685 260 G HA3 -0.189 3.775 3.960 0.007 0.000 0.685 260 G C -0.198 174.748 174.900 0.076 0.000 0.938 260 G CA -0.798 44.357 45.100 0.092 0.000 0.778 260 G HN 0.635 nan 8.290 nan 0.000 0.515 261 R N 0.993 121.525 120.500 0.052 0.000 2.668 261 R HA 0.351 4.695 4.340 0.007 0.000 0.268 261 R C 0.867 177.201 176.300 0.058 0.000 1.232 261 R CA -0.489 55.645 56.100 0.057 0.000 1.166 261 R CB 0.545 30.866 30.300 0.035 0.000 1.179 261 R HN 0.734 nan 8.270 nan 0.000 0.606 262 E N -0.516 119.720 120.200 0.060 0.000 2.373 262 E HA 0.101 4.456 4.350 0.007 0.000 0.267 262 E C 0.536 177.158 176.600 0.037 0.000 1.032 262 E CA 0.865 57.295 56.400 0.050 0.000 0.889 262 E CB 0.600 30.333 29.700 0.056 0.000 0.984 262 E HN 0.676 nan 8.360 nan 0.000 0.425 263 G N 3.158 111.977 108.800 0.032 0.000 2.812 263 G HA2 -0.340 3.625 3.960 0.007 0.000 0.219 263 G HA3 -0.340 3.625 3.960 0.007 0.000 0.219 263 G C 0.032 174.950 174.900 0.029 0.000 1.275 263 G CA 0.185 45.302 45.100 0.028 0.000 0.769 263 G HN 0.770 nan 8.290 nan 0.000 0.527 264 S N 1.833 117.551 115.700 0.031 0.000 2.516 264 S HA 0.569 5.044 4.470 0.007 0.000 0.282 264 S C 0.687 175.310 174.600 0.038 0.000 1.286 264 S CA 0.473 58.692 58.200 0.033 0.000 1.066 264 S CB 1.494 64.714 63.200 0.033 0.000 0.884 264 S HN 1.711 nan 8.310 nan 0.000 0.491 265 S N 2.051 117.772 115.700 0.036 0.000 2.652 265 S HA 0.702 5.177 4.470 0.007 0.000 0.267 265 S C 0.789 175.416 174.600 0.045 0.000 1.201 265 S CA -0.531 57.691 58.200 0.037 0.000 0.996 265 S CB 0.043 63.262 63.200 0.031 0.000 1.054 265 S HN 2.269 nan 8.310 nan 0.000 0.561 266 A N -0.350 122.496 122.820 0.043 0.000 3.002 266 A HA -0.130 4.194 4.320 0.007 0.000 0.272 266 A C 0.343 177.966 177.584 0.065 0.000 1.421 266 A CA 0.228 52.295 52.037 0.049 0.000 0.766 266 A CB -2.239 16.794 19.000 0.054 0.000 1.034 266 A HN 0.644 nan 8.150 nan 0.000 0.541 267 R N 0.886 121.420 120.500 0.056 0.000 2.853 267 R HA 0.157 4.501 4.340 0.007 0.000 0.238 267 R C 0.710 177.046 176.300 0.060 0.000 1.538 267 R CA 0.867 57.007 56.100 0.066 0.000 1.166 267 R CB -0.223 30.104 30.300 0.044 0.000 1.201 267 R HN 0.654 nan 8.270 nan 0.000 0.606 268 T N 1.424 116.023 114.554 0.074 0.000 2.847 268 T HA 0.495 4.849 4.350 0.007 0.000 0.279 268 T C 0.288 175.008 174.700 0.034 0.000 0.984 268 T CA -0.470 61.651 62.100 0.033 0.000 0.988 268 T CB 0.658 69.520 68.868 -0.009 0.000 1.040 268 T HN 0.402 nan 8.240 nan 0.000 0.528 269 I N 3.083 123.655 120.570 0.002 0.000 2.583 269 I HA 0.351 4.525 4.170 0.007 0.000 0.276 269 I C -0.409 175.701 176.117 -0.012 0.000 1.089 269 I CA -0.676 60.638 61.300 0.023 0.000 1.103 269 I CB 1.308 39.339 38.000 0.052 0.000 1.209 269 I HN 0.461 nan 8.210 nan 0.000 0.484 270 K N 4.352 124.705 120.400 -0.080 0.000 2.182 270 K HA 0.845 5.170 4.320 0.007 0.000 0.262 270 K C -0.407 176.198 176.600 0.008 0.000 0.957 270 K CA -0.516 55.719 56.287 -0.087 0.000 0.842 270 K CB 2.586 34.931 32.500 -0.258 0.000 1.099 270 K HN 0.548 nan 8.250 nan 0.000 0.438 271 A N 1.801 124.645 122.820 0.039 0.000 2.325 271 A HA 0.543 4.868 4.320 0.007 0.000 0.333 271 A C -0.548 177.088 177.584 0.087 0.000 1.155 271 A CA -0.588 51.498 52.037 0.082 0.000 0.814 271 A CB 1.088 20.151 19.000 0.105 0.000 1.206 271 A HN 0.592 nan 8.150 nan 0.000 0.482 272 T N 2.672 117.287 114.554 0.102 0.000 2.771 272 T HA 0.559 4.914 4.350 0.007 0.000 0.281 272 T C -0.302 174.465 174.700 0.112 0.000 0.982 272 T CA -0.023 62.134 62.100 0.096 0.000 0.978 272 T CB 0.170 69.093 68.868 0.091 0.000 0.930 272 T HN 0.440 nan 8.240 nan 0.000 0.447 273 L N 4.391 125.683 121.223 0.114 0.000 2.334 273 L HA 0.540 4.884 4.340 0.007 0.000 0.273 273 L C -2.422 174.523 176.870 0.126 0.000 1.013 273 L CA -2.878 52.052 54.840 0.150 0.000 0.816 273 L CB 1.217 43.382 42.059 0.178 0.000 1.278 273 L HN 0.308 nan 8.230 nan 0.000 0.431 274 P HA 0.048 nan 4.420 nan 0.000 0.266 274 P C -0.504 176.966 177.300 0.283 0.000 1.195 274 P CA 0.399 63.605 63.100 0.177 0.000 0.768 274 P CB 0.182 32.002 31.700 0.200 0.000 0.838 275 Y N -1.205 119.114 120.300 0.032 0.000 3.297 275 Y HA -0.279 4.275 4.550 0.007 0.000 0.442 275 Y C 0.899 176.825 175.900 0.043 0.000 1.265 275 Y CA 0.834 58.964 58.100 0.050 0.000 2.337 275 Y CB -1.941 36.551 38.460 0.054 0.000 0.876 275 Y HN 0.292 nan 8.280 nan 0.000 0.487 276 I N 2.254 122.915 120.570 0.151 0.000 2.575 276 I HA -0.015 4.159 4.170 0.007 0.000 0.285 276 I C 1.151 177.300 176.117 0.053 0.000 1.085 276 I CA 0.079 61.424 61.300 0.076 0.000 1.403 276 I CB 0.762 38.781 38.000 0.031 0.000 1.409 276 I HN -0.017 nan 8.210 nan 0.000 0.557 277 K N 5.063 125.485 120.400 0.036 0.000 2.444 277 K HA 0.190 4.514 4.320 0.007 0.000 0.193 277 K C 0.111 176.717 176.600 0.010 0.000 1.024 277 K CA 0.344 56.644 56.287 0.022 0.000 1.077 277 K CB 0.329 32.841 32.500 0.020 0.000 0.833 277 K HN 0.615 nan 8.250 nan 0.000 0.517 278 Q N -0.617 119.187 119.800 0.007 0.000 2.813 278 Q HA 0.153 4.497 4.340 0.007 0.000 0.338 278 Q C -1.658 174.357 176.000 0.026 0.000 0.785 278 Q CA -0.687 55.124 55.803 0.013 0.000 0.834 278 Q CB 1.555 30.283 28.738 -0.017 0.000 1.329 278 Q HN -0.089 nan 8.270 nan 0.000 0.511 279 D N 0.678 121.098 120.400 0.033 0.000 2.217 279 D HA 0.612 5.256 4.640 0.007 0.000 0.248 279 D C -0.900 175.416 176.300 0.027 0.000 1.008 279 D CA -0.054 53.963 54.000 0.027 0.000 0.914 279 D CB 1.235 42.039 40.800 0.008 0.000 1.182 279 D HN 0.390 nan 8.370 nan 0.000 0.451 280 I N -0.084 120.507 120.570 0.034 0.000 2.571 280 I HA 0.275 4.449 4.170 0.007 0.000 0.286 280 I C -2.674 173.470 176.117 0.044 0.000 1.134 280 I CA -2.270 59.084 61.300 0.089 0.000 1.052 280 I CB 2.169 40.239 38.000 0.118 0.000 1.237 280 I HN -0.082 nan 8.210 nan 0.000 0.435 281 P HA 0.014 nan 4.420 nan 0.000 0.261 281 P C 1.318 178.638 177.300 0.034 0.000 1.173 281 P CA 0.140 63.244 63.100 0.006 0.000 0.760 281 P CB 0.490 32.188 31.700 -0.004 0.000 0.783 282 I N 1.591 122.194 120.570 0.054 0.000 2.248 282 I HA -0.276 3.898 4.170 0.007 0.000 0.248 282 I C 1.494 177.702 176.117 0.153 0.000 1.107 282 I CA 1.549 62.896 61.300 0.079 0.000 1.373 282 I CB -1.030 37.066 38.000 0.161 0.000 1.055 282 I HN 0.041 nan 8.210 nan 0.000 0.418 283 V N 2.035 122.043 119.914 0.157 0.000 2.317 283 V HA -0.300 3.824 4.120 0.007 0.000 0.251 283 V C 2.571 178.730 176.094 0.108 0.000 1.065 283 V CA 2.417 64.811 62.300 0.157 0.000 1.049 283 V CB -0.870 30.999 31.823 0.077 0.000 0.651 283 V HN 0.502 nan 8.190 nan 0.000 0.450 284 I N -0.498 120.099 120.570 0.045 0.000 2.439 284 I HA -0.172 4.002 4.170 0.007 0.000 0.251 284 I C 2.216 178.327 176.117 -0.010 0.000 1.139 284 I CA 1.454 62.760 61.300 0.010 0.000 1.438 284 I CB -0.257 37.748 38.000 0.009 0.000 1.085 284 I HN 0.258 nan 8.210 nan 0.000 0.427 285 I N -0.240 120.300 120.570 -0.050 0.000 2.439 285 I HA -0.215 3.959 4.170 0.007 0.000 0.251 285 I C 2.292 178.265 176.117 -0.240 0.000 1.139 285 I CA 1.455 62.642 61.300 -0.188 0.000 1.438 285 I CB -0.393 37.444 38.000 -0.271 0.000 1.085 285 I HN 0.114 nan 8.210 nan 0.000 0.427 286 F N 1.334 121.227 119.950 -0.095 0.000 2.206 286 F HA -0.105 4.426 4.527 0.007 0.000 0.298 286 F C 2.788 178.516 175.800 -0.121 0.000 1.090 286 F CA 1.117 59.042 58.000 -0.124 0.000 1.323 286 F CB -0.199 38.737 39.000 -0.108 0.000 1.028 286 F HN -0.143 nan 8.300 nan 0.000 0.492 287 R N 0.028 120.582 120.500 0.091 0.000 2.066 287 R HA -0.121 4.224 4.340 0.007 0.000 0.232 287 R C 2.456 178.744 176.300 -0.020 0.000 1.131 287 R CA 1.158 57.271 56.100 0.022 0.000 0.955 287 R CB -0.724 29.579 30.300 0.005 0.000 0.851 287 R HN 0.242 nan 8.270 nan 0.000 0.432 288 A N 0.837 123.629 122.820 -0.047 0.000 1.986 288 A HA -0.178 4.146 4.320 0.007 0.000 0.220 288 A C 2.035 179.560 177.584 -0.098 0.000 1.171 288 A CA 1.373 53.363 52.037 -0.079 0.000 0.640 288 A CB -0.526 18.403 19.000 -0.118 0.000 0.811 288 A HN 0.252 nan 8.150 nan 0.000 0.451 289 L N -2.386 118.771 121.223 -0.111 0.000 2.418 289 L HA 0.159 4.504 4.340 0.007 0.000 0.218 289 L C 1.870 178.708 176.870 -0.054 0.000 1.125 289 L CA 0.726 55.503 54.840 -0.106 0.000 0.835 289 L CB 0.060 42.038 42.059 -0.136 0.000 0.953 289 L HN 0.631 nan 8.230 nan 0.000 0.454 290 G N -0.169 108.610 108.800 -0.035 0.000 2.336 290 G HA2 -0.191 3.773 3.960 0.007 0.000 0.194 290 G HA3 -0.191 3.773 3.960 0.007 0.000 0.194 290 G C 0.277 175.168 174.900 -0.014 0.000 0.999 290 G CA -0.519 44.567 45.100 -0.023 0.000 0.669 290 G HN 0.142 nan 8.290 nan 0.000 0.482 291 I N 2.789 123.351 120.570 -0.013 0.000 2.293 291 I HA 0.291 4.466 4.170 0.007 0.000 0.299 291 I C 1.727 177.844 176.117 -0.001 0.000 1.153 291 I CA -0.293 60.998 61.300 -0.015 0.000 1.302 291 I CB 0.333 38.285 38.000 -0.080 0.000 1.460 291 I HN 0.112 nan 8.210 nan 0.000 0.552 292 I N 6.248 126.815 120.570 -0.005 0.000 2.277 292 I HA 0.004 4.178 4.170 0.007 0.000 0.243 292 I C -1.339 174.773 176.117 -0.008 0.000 1.094 292 I CA 0.329 61.625 61.300 -0.006 0.000 1.393 292 I CB -0.829 37.165 38.000 -0.011 0.000 1.078 292 I HN 0.388 nan 8.210 nan 0.000 0.417 293 P HA 0.125 nan 4.420 nan 0.000 0.285 293 P C -1.151 176.138 177.300 -0.019 0.000 1.259 293 P CA -0.272 62.821 63.100 -0.012 0.000 0.794 293 P CB 0.351 32.042 31.700 -0.014 0.000 0.940 294 D N 1.935 122.330 120.400 -0.009 0.000 2.488 294 D HA 0.241 4.886 4.640 0.007 0.000 0.238 294 D C 1.680 177.962 176.300 -0.029 0.000 1.138 294 D CA 1.592 55.584 54.000 -0.015 0.000 0.873 294 D CB 0.109 40.912 40.800 0.006 0.000 1.183 294 D HN 0.704 nan 8.370 nan 0.000 0.458 295 G N 2.724 111.497 108.800 -0.045 0.000 2.284 295 G HA2 -0.356 3.608 3.960 0.007 0.000 0.230 295 G HA3 -0.356 3.608 3.960 0.007 0.000 0.230 295 G C 0.988 175.844 174.900 -0.073 0.000 1.021 295 G CA 0.433 45.501 45.100 -0.055 0.000 0.619 295 G HN 0.530 nan 8.290 nan 0.000 0.510 296 E N -0.130 120.033 120.200 -0.062 0.000 2.276 296 E HA 0.380 4.734 4.350 0.007 0.000 0.193 296 E C 2.478 179.071 176.600 -0.012 0.000 0.983 296 E CA 0.319 56.687 56.400 -0.054 0.000 0.861 296 E CB 0.005 29.688 29.700 -0.030 0.000 0.817 296 E HN 0.612 nan 8.360 nan 0.000 0.485 297 I N 0.687 121.209 120.570 -0.079 0.000 2.233 297 I HA -0.238 3.937 4.170 0.007 0.000 0.243 297 I C 1.921 177.883 176.117 -0.258 0.000 1.093 297 I CA 0.480 61.630 61.300 -0.250 0.000 1.380 297 I CB -0.086 37.750 38.000 -0.274 0.000 1.067 297 I HN 0.242 nan 8.210 nan 0.000 0.413 298 L N 0.643 121.776 121.223 -0.150 0.000 2.051 298 L HA -0.273 4.071 4.340 0.007 0.000 0.214 298 L C 2.069 178.892 176.870 -0.079 0.000 1.076 298 L CA 1.952 56.728 54.840 -0.107 0.000 0.758 298 L CB -1.191 40.828 42.059 -0.067 0.000 0.890 298 L HN 0.384 nan 8.230 nan 0.000 0.433 299 E N -1.243 118.912 120.200 -0.075 0.000 2.461 299 E HA -0.120 4.234 4.350 0.007 0.000 0.196 299 E C 1.111 177.693 176.600 -0.031 0.000 1.129 299 E CA -0.019 56.351 56.400 -0.050 0.000 0.902 299 E CB 0.095 29.723 29.700 -0.121 0.000 0.963 299 E HN 0.576 nan 8.360 nan 0.000 0.503 300 H N -1.525 117.548 119.070 0.005 0.000 2.652 300 H HA 0.182 4.742 4.556 0.007 0.000 0.274 300 H C 1.373 176.849 175.328 0.246 0.000 1.021 300 H CA 0.247 56.398 56.048 0.172 0.000 1.187 300 H CB 1.034 30.657 29.762 -0.232 0.000 1.505 300 H HN 0.187 nan 8.280 nan 0.000 0.530 301 I N -0.557 120.039 120.570 0.044 0.000 4.398 301 I HA -0.014 4.160 4.170 0.007 0.000 0.240 301 I C 0.896 176.731 176.117 -0.470 0.000 1.053 301 I CA -0.010 61.184 61.300 -0.176 0.000 1.750 301 I CB 0.376 38.330 38.000 -0.078 0.000 1.561 301 I HN 0.016 nan 8.210 nan 0.000 0.454 302 C N 2.758 121.927 119.300 -0.218 0.000 2.658 302 C HA 0.072 4.536 4.460 0.007 0.000 0.376 302 C C 1.418 176.390 174.990 -0.029 0.000 1.202 302 C CA -0.178 58.749 59.018 -0.152 0.000 1.435 302 C CB -2.107 25.596 27.740 -0.062 0.000 2.076 302 C HN 0.432 nan 8.230 nan 0.000 0.569 303 Y N 1.789 122.168 120.300 0.131 0.000 2.632 303 Y HA 0.072 4.626 4.550 0.007 0.000 0.301 303 Y C 1.108 177.077 175.900 0.115 0.000 1.172 303 Y CA 0.019 58.214 58.100 0.158 0.000 1.328 303 Y CB -0.034 38.565 38.460 0.230 0.000 1.016 303 Y HN 0.670 nan 8.280 nan 0.000 0.529 304 D N -1.335 119.180 120.400 0.193 0.000 2.863 304 D HA 0.197 4.841 4.640 0.007 0.000 0.245 304 D C 0.522 176.884 176.300 0.104 0.000 1.211 304 D CA -0.415 53.672 54.000 0.144 0.000 0.888 304 D CB 1.939 42.813 40.800 0.124 0.000 1.483 304 D HN -0.134 nan 8.370 nan 0.000 0.533 305 V N 3.438 123.416 119.914 0.107 0.000 2.407 305 V HA -0.177 3.947 4.120 0.007 0.000 0.248 305 V C 1.668 177.822 176.094 0.099 0.000 1.055 305 V CA 1.448 63.802 62.300 0.090 0.000 1.049 305 V CB -0.593 31.286 31.823 0.093 0.000 0.662 305 V HN 0.598 nan 8.190 nan 0.000 0.455 306 N N -0.050 118.713 118.700 0.104 0.000 2.512 306 N HA -0.079 4.665 4.740 0.007 0.000 0.183 306 N C 0.879 176.483 175.510 0.155 0.000 1.073 306 N CA 0.610 53.737 53.050 0.129 0.000 0.911 306 N CB -0.434 38.119 38.487 0.110 0.000 0.964 306 N HN 0.424 nan 8.380 nan 0.000 0.447 307 D N 1.554 122.010 120.400 0.094 0.000 2.671 307 D HA -0.052 4.592 4.640 0.007 0.000 0.228 307 D C 1.321 177.622 176.300 0.001 0.000 1.102 307 D CA -0.438 53.571 54.000 0.016 0.000 1.044 307 D CB -0.392 40.397 40.800 -0.019 0.000 1.113 307 D HN 0.362 nan 8.370 nan 0.000 0.480 308 W N 1.639 122.943 121.300 0.005 0.000 2.374 308 W HA -0.147 4.517 4.660 0.007 0.000 0.288 308 W C 0.891 177.407 176.519 -0.004 0.000 1.218 308 W CA 0.231 57.576 57.345 0.000 0.000 1.245 308 W CB -0.423 29.038 29.460 0.002 0.000 1.126 308 W HN 0.231 nan 8.180 nan 0.000 0.545 309 Q N 0.612 119.795 119.800 -1.029 0.000 2.378 309 Q HA -0.107 4.238 4.340 0.007 0.000 0.205 309 Q C 2.387 178.134 176.000 -0.421 0.000 0.954 309 Q CA 1.380 56.577 55.803 -1.012 0.000 0.901 309 Q CB -0.126 27.909 28.738 -1.172 0.000 0.981 309 Q HN 0.442 nan 8.270 nan 0.000 0.483 310 M N -0.378 119.055 119.600 -0.279 0.000 2.447 310 M HA -0.033 4.451 4.480 0.007 0.000 0.264 310 M C 1.189 177.431 176.300 -0.097 0.000 1.095 310 M CA 1.010 56.212 55.300 -0.163 0.000 1.125 310 M CB 0.340 32.862 32.600 -0.130 0.000 1.389 310 M HN 0.134 nan 8.290 nan 0.000 0.459 311 L N -0.221 120.968 121.223 -0.057 0.000 2.249 311 L HA 0.003 4.347 4.340 0.007 0.000 0.207 311 L C 2.202 179.083 176.870 0.019 0.000 1.090 311 L CA 0.587 55.427 54.840 -0.000 0.000 0.802 311 L CB -0.528 41.559 42.059 0.048 0.000 0.947 311 L HN 0.276 nan 8.230 nan 0.000 0.453 312 E N 0.299 120.518 120.200 0.033 0.000 2.338 312 E HA -0.187 4.168 4.350 0.007 0.000 0.197 312 E C 2.160 178.763 176.600 0.006 0.000 1.007 312 E CA 0.979 57.410 56.400 0.051 0.000 0.849 312 E CB 0.102 29.864 29.700 0.104 0.000 0.774 312 E HN 0.208 nan 8.360 nan 0.000 0.506 313 M N -0.381 119.200 119.600 -0.032 0.000 2.077 313 M HA -0.055 4.429 4.480 0.007 0.000 0.261 313 M C 2.116 178.407 176.300 -0.015 0.000 1.070 313 M CA 1.279 56.556 55.300 -0.037 0.000 1.125 313 M CB -0.716 31.842 32.600 -0.070 0.000 1.339 313 M HN 0.242 nan 8.290 nan 0.000 0.409 314 L N -0.641 120.574 121.223 -0.013 0.000 2.209 314 L HA -0.132 4.212 4.340 0.007 0.000 0.207 314 L C 2.438 179.313 176.870 0.009 0.000 1.094 314 L CA 0.544 55.383 54.840 -0.001 0.000 0.790 314 L CB -0.508 41.547 42.059 -0.008 0.000 0.932 314 L HN 0.302 nan 8.230 nan 0.000 0.447 315 K N 0.788 121.194 120.400 0.011 0.000 2.049 315 K HA -0.233 4.092 4.320 0.007 0.000 0.219 315 K C -0.637 175.971 176.600 0.014 0.000 1.056 315 K CA 2.362 58.657 56.287 0.014 0.000 0.946 315 K CB -0.900 31.614 32.500 0.023 0.000 0.723 315 K HN 0.204 nan 8.250 nan 0.000 0.453 316 P HA -0.080 nan 4.420 nan 0.000 0.225 316 P C 1.528 178.840 177.300 0.019 0.000 1.156 316 P CA 0.893 64.003 63.100 0.016 0.000 0.787 316 P CB -0.170 31.542 31.700 0.020 0.000 0.802 317 C N -0.288 119.024 119.300 0.021 0.000 2.440 317 C HA -0.046 4.419 4.460 0.007 0.000 0.278 317 C C 2.702 177.709 174.990 0.029 0.000 1.295 317 C CA 0.505 59.538 59.018 0.025 0.000 1.738 317 C CB -1.521 26.237 27.740 0.030 0.000 1.987 317 C HN 0.041 nan 8.230 nan 0.000 0.492 318 V N 1.076 121.007 119.914 0.028 0.000 2.427 318 V HA -0.176 3.948 4.120 0.007 0.000 0.248 318 V C 2.452 178.574 176.094 0.047 0.000 1.051 318 V CA 2.287 64.608 62.300 0.035 0.000 1.048 318 V CB -0.728 31.109 31.823 0.024 0.000 0.666 318 V HN 0.608 nan 8.190 nan 0.000 0.456 319 E N -0.261 119.960 120.200 0.035 0.000 2.118 319 E HA -0.290 4.065 4.350 0.007 0.000 0.195 319 E C 1.870 178.508 176.600 0.064 0.000 0.992 319 E CA 1.452 57.875 56.400 0.039 0.000 0.804 319 E CB -0.233 29.470 29.700 0.004 0.000 0.741 319 E HN 0.542 nan 8.360 nan 0.000 0.458 320 D N -0.395 120.029 120.400 0.039 0.000 2.265 320 D HA -0.094 4.551 4.640 0.007 0.000 0.208 320 D C 1.556 177.862 176.300 0.010 0.000 0.977 320 D CA 1.148 55.162 54.000 0.023 0.000 0.871 320 D CB -0.080 40.724 40.800 0.007 0.000 0.925 320 D HN 0.238 nan 8.370 nan 0.000 0.485 321 G N -1.500 107.316 108.800 0.027 0.000 3.192 321 G HA2 -0.072 3.892 3.960 0.007 0.000 0.239 321 G HA3 -0.072 3.892 3.960 0.007 0.000 0.239 321 G C 1.015 175.915 174.900 0.001 0.000 1.084 321 G CA -0.290 44.799 45.100 -0.018 0.000 0.784 321 G HN 0.232 nan 8.290 nan 0.000 0.540 322 F N 1.873 121.786 119.950 -0.062 0.000 2.147 322 F HA -0.233 4.299 4.527 0.007 0.000 0.301 322 F C 2.324 178.084 175.800 -0.067 0.000 1.084 322 F CA 1.689 59.657 58.000 -0.053 0.000 1.268 322 F CB -0.230 38.747 39.000 -0.039 0.000 1.009 322 F HN 0.019 nan 8.300 nan 0.000 0.486 323 V N 1.072 120.832 119.914 -0.257 0.000 2.231 323 V HA -0.275 3.849 4.120 0.007 0.000 0.248 323 V C 1.573 177.444 176.094 -0.373 0.000 1.054 323 V CA 1.755 63.841 62.300 -0.356 0.000 1.015 323 V CB -0.623 31.066 31.823 -0.225 0.000 0.638 323 V HN 0.167 nan 8.190 nan 0.000 0.444 324 I N 0.126 120.520 120.570 -0.293 0.000 2.441 324 I HA 0.123 4.297 4.170 0.007 0.000 0.287 324 I C 0.893 176.895 176.117 -0.192 0.000 1.049 324 I CA 0.291 61.453 61.300 -0.231 0.000 1.381 324 I CB 1.336 39.208 38.000 -0.213 0.000 1.409 324 I HN 0.185 nan 8.210 nan 0.000 0.523 325 Q N 3.608 123.309 119.800 -0.165 0.000 2.210 325 Q HA 0.093 4.437 4.340 0.007 0.000 0.252 325 Q C -0.939 175.017 176.000 -0.074 0.000 0.811 325 Q CA 0.154 55.882 55.803 -0.125 0.000 0.953 325 Q CB 0.665 29.309 28.738 -0.156 0.000 1.136 325 Q HN 0.753 nan 8.270 nan 0.000 0.491 326 D N -1.949 118.410 120.400 -0.068 0.000 2.601 326 D HA 0.180 4.824 4.640 0.007 0.000 0.230 326 D C 0.263 176.542 176.300 -0.035 0.000 1.106 326 D CA -0.638 53.335 54.000 -0.045 0.000 0.873 326 D CB 1.028 41.803 40.800 -0.042 0.000 1.515 326 D HN 0.008 nan 8.370 nan 0.000 0.468 327 R N 1.067 121.552 120.500 -0.026 0.000 2.113 327 R HA -0.247 4.098 4.340 0.007 0.000 0.244 327 R C 1.402 177.691 176.300 -0.018 0.000 1.142 327 R CA 2.302 58.388 56.100 -0.023 0.000 0.953 327 R CB -0.120 30.167 30.300 -0.021 0.000 0.860 327 R HN 0.615 nan 8.270 nan 0.000 0.438 328 E N -1.045 119.145 120.200 -0.017 0.000 2.108 328 E HA -0.228 4.126 4.350 0.007 0.000 0.203 328 E C 1.805 178.403 176.600 -0.003 0.000 1.022 328 E CA 2.150 58.544 56.400 -0.010 0.000 0.823 328 E CB -0.143 29.549 29.700 -0.012 0.000 0.744 328 E HN 0.457 nan 8.360 nan 0.000 0.456 329 T N 0.103 114.651 114.554 -0.010 0.000 3.044 329 T HA 0.141 4.495 4.350 0.007 0.000 0.255 329 T C 1.865 176.581 174.700 0.026 0.000 1.073 329 T CA 0.539 62.642 62.100 0.004 0.000 1.125 329 T CB 0.056 68.909 68.868 -0.025 0.000 0.908 329 T HN 0.247 nan 8.240 nan 0.000 0.480 330 A N 2.059 124.881 122.820 0.003 0.000 1.851 330 A HA -0.070 4.254 4.320 0.007 0.000 0.216 330 A C 2.087 179.697 177.584 0.043 0.000 1.195 330 A CA 1.464 53.510 52.037 0.015 0.000 0.622 330 A CB -0.999 17.993 19.000 -0.014 0.000 0.831 330 A HN 0.355 nan 8.150 nan 0.000 0.444 331 L N 0.179 121.407 121.223 0.009 0.000 2.081 331 L HA -0.214 4.130 4.340 0.007 0.000 0.212 331 L C 2.195 179.082 176.870 0.029 0.000 1.080 331 L CA 2.301 57.139 54.840 -0.004 0.000 0.754 331 L CB -0.878 41.172 42.059 -0.016 0.000 0.893 331 L HN 0.517 nan 8.230 nan 0.000 0.433 332 D N -1.149 119.284 120.400 0.056 0.000 2.178 332 D HA -0.245 4.400 4.640 0.007 0.000 0.202 332 D C 2.075 178.443 176.300 0.114 0.000 0.974 332 D CA 0.608 54.652 54.000 0.073 0.000 0.841 332 D CB -0.089 40.751 40.800 0.067 0.000 0.953 332 D HN 0.230 nan 8.370 nan 0.000 0.478 333 F N 1.000 120.941 119.950 -0.016 0.000 2.250 333 F HA 0.068 4.599 4.527 0.007 0.000 0.301 333 F C 0.681 176.479 175.800 -0.004 0.000 1.077 333 F CA 0.587 58.580 58.000 -0.011 0.000 1.348 333 F CB -0.208 38.779 39.000 -0.022 0.000 1.040 333 F HN -0.102 nan 8.300 nan 0.000 0.509 334 I N 1.581 122.134 120.570 -0.030 0.000 2.357 334 I HA 0.334 4.508 4.170 0.007 0.000 0.300 334 I C 0.655 176.734 176.117 -0.063 0.000 1.159 334 I CA 0.542 61.780 61.300 -0.105 0.000 1.339 334 I CB -0.967 36.989 38.000 -0.074 0.000 1.458 334 I HN 0.315 nan 8.210 nan 0.000 0.577 346 E N -0.276 119.936 120.200 0.021 0.000 4.976 346 E HA -0.398 3.957 4.350 0.007 0.000 0.222 346 E C 0.912 177.525 176.600 0.022 0.000 0.944 346 E CA 2.414 58.825 56.400 0.018 0.000 1.778 346 E CB -0.748 28.959 29.700 0.012 0.000 1.790 346 E HN 0.706 nan 8.360 nan 0.000 0.404 347 K N 0.859 121.271 120.400 0.021 0.000 2.078 347 K HA 0.056 4.380 4.320 0.007 0.000 0.203 347 K C 2.072 178.698 176.600 0.043 0.000 1.043 347 K CA 1.071 57.369 56.287 0.018 0.000 0.960 347 K CB -0.251 32.248 32.500 -0.001 0.000 0.761 347 K HN 0.152 nan 8.250 nan 0.000 0.448 348 R N 1.134 121.667 120.500 0.056 0.000 2.240 348 R HA 0.157 4.501 4.340 0.007 0.000 0.203 348 R C 2.068 178.443 176.300 0.125 0.000 1.011 348 R CA 0.598 56.765 56.100 0.111 0.000 1.007 348 R CB -0.595 29.757 30.300 0.087 0.000 0.911 348 R HN 0.175 nan 8.270 nan 0.000 0.468 349 I N 1.465 122.080 120.570 0.075 0.000 2.163 349 I HA -0.223 3.951 4.170 0.007 0.000 0.240 349 I C 2.369 178.520 176.117 0.057 0.000 1.081 349 I CA 1.310 62.642 61.300 0.052 0.000 1.353 349 I CB -0.331 37.688 38.000 0.032 0.000 1.054 349 I HN 0.113 nan 8.210 nan 0.000 0.407 350 Q N -0.183 119.657 119.800 0.066 0.000 2.500 350 Q HA -0.207 4.138 4.340 0.007 0.000 0.213 350 Q C 1.747 177.818 176.000 0.118 0.000 0.974 350 Q CA 1.086 56.928 55.803 0.064 0.000 0.918 350 Q CB -0.224 28.544 28.738 0.050 0.000 0.980 350 Q HN 0.528 nan 8.270 nan 0.000 0.505 351 Y N -0.765 119.526 120.300 -0.015 0.000 2.206 351 Y HA 0.101 4.655 4.550 0.007 0.000 0.292 351 Y C 1.880 177.763 175.900 -0.028 0.000 1.123 351 Y CA 1.155 59.243 58.100 -0.019 0.000 1.142 351 Y CB -0.684 37.772 38.460 -0.006 0.000 1.006 351 Y HN 0.122 nan 8.280 nan 0.000 0.518 352 A N 0.407 123.167 122.820 -0.100 0.000 1.930 352 A HA -0.147 4.178 4.320 0.007 0.000 0.217 352 A C 2.256 179.757 177.584 -0.138 0.000 1.175 352 A CA 1.589 53.509 52.037 -0.195 0.000 0.627 352 A CB -0.558 18.375 19.000 -0.112 0.000 0.815 352 A HN 0.449 nan 8.150 nan 0.000 0.443 353 K N -0.446 119.914 120.400 -0.066 0.000 2.211 353 K HA -0.153 4.171 4.320 0.007 0.000 0.204 353 K C 1.180 177.749 176.600 -0.052 0.000 1.047 353 K CA 1.414 57.671 56.287 -0.049 0.000 0.935 353 K CB -0.122 32.368 32.500 -0.016 0.000 0.728 353 K HN 0.448 nan 8.250 nan 0.000 0.452 354 D N 0.582 120.948 120.400 -0.057 0.000 2.162 354 D HA -0.028 4.616 4.640 0.007 0.000 0.205 354 D C 1.933 178.165 176.300 -0.113 0.000 0.964 354 D CA 0.744 54.709 54.000 -0.060 0.000 0.847 354 D CB 0.067 40.858 40.800 -0.015 0.000 0.988 354 D HN 0.134 nan 8.370 nan 0.000 0.480 355 I N 1.051 121.501 120.570 -0.200 0.000 2.142 355 I HA -0.212 3.962 4.170 0.007 0.000 0.240 355 I C 2.063 178.133 176.117 -0.077 0.000 1.078 355 I CA 0.768 61.947 61.300 -0.203 0.000 1.343 355 I CB -0.162 37.650 38.000 -0.313 0.000 1.046 355 I HN -0.035 nan 8.210 nan 0.000 0.405 356 L N 0.323 121.482 121.223 -0.106 0.000 2.700 356 L HA -0.134 4.210 4.340 0.007 0.000 0.240 356 L C 1.983 178.852 176.870 -0.001 0.000 1.162 356 L CA 0.797 55.575 54.840 -0.103 0.000 0.874 356 L CB -0.430 41.491 42.059 -0.230 0.000 1.001 356 L HN 0.471 nan 8.230 nan 0.000 0.447 357 Q N -1.279 118.524 119.800 0.004 0.000 2.404 357 Q HA 0.051 4.395 4.340 0.007 0.000 0.262 357 Q C 1.679 177.689 176.000 0.017 0.000 0.846 357 Q CA 0.088 55.904 55.803 0.021 0.000 0.978 357 Q CB 0.832 29.569 28.738 -0.001 0.000 1.156 357 Q HN 0.358 nan 8.270 nan 0.000 0.548 358 K N -0.061 120.337 120.400 -0.004 0.000 2.287 358 K HA 0.061 4.385 4.320 0.007 0.000 0.199 358 K C 1.258 177.881 176.600 0.037 0.000 1.061 358 K CA 0.613 56.891 56.287 -0.016 0.000 0.976 358 K CB 0.700 33.163 32.500 -0.063 0.000 0.898 358 K HN 0.008 nan 8.250 nan 0.000 0.492 359 E N -0.086 120.145 120.200 0.052 0.000 2.372 359 E HA 0.033 4.388 4.350 0.007 0.000 0.201 359 E C 0.048 176.724 176.600 0.126 0.000 0.938 359 E CA -0.119 56.347 56.400 0.110 0.000 0.944 359 E CB 0.094 29.849 29.700 0.091 0.000 0.937 359 E HN 0.052 nan 8.360 nan 0.000 0.495 360 F N 3.138 123.080 119.950 -0.014 0.000 2.462 360 F HA 0.207 4.738 4.527 0.007 0.000 0.360 360 F C 0.476 176.259 175.800 -0.029 0.000 1.134 360 F CA -0.748 57.241 58.000 -0.018 0.000 1.148 360 F CB 0.245 39.219 39.000 -0.044 0.000 1.147 360 F HN -0.156 nan 8.300 nan 0.000 0.550 361 L N 8.425 129.362 121.223 -0.477 0.000 3.746 361 L HA -0.211 4.133 4.340 0.007 0.000 0.542 361 L C -1.737 175.001 176.870 -0.219 0.000 1.268 361 L CA 0.022 54.596 54.840 -0.445 0.000 0.818 361 L CB -0.939 40.642 42.059 -0.797 0.000 1.472 361 L HN 0.515 nan 8.230 nan 0.000 0.843 362 P HA -0.141 nan 4.420 nan 0.000 0.219 362 P C 0.629 177.900 177.300 -0.048 0.000 1.150 362 P CA 1.069 64.152 63.100 -0.029 0.000 0.814 362 P CB -0.293 31.434 31.700 0.045 0.000 0.787 363 H N 0.678 119.691 119.070 -0.095 0.000 2.928 363 H HA 0.118 4.678 4.556 0.007 0.000 0.338 363 H C 0.999 176.239 175.328 -0.146 0.000 1.047 363 H CA 0.486 56.475 56.048 -0.097 0.000 1.435 363 H CB 0.596 30.300 29.762 -0.096 0.000 1.428 363 H HN 0.045 nan 8.280 nan 0.000 0.590 364 I N 0.890 121.234 120.570 -0.376 0.000 4.558 364 I HA -0.298 3.877 4.170 0.007 0.000 0.209 364 I C 0.013 175.996 176.117 -0.224 0.000 0.464 364 I CA 1.025 62.105 61.300 -0.366 0.000 1.422 364 I CB -1.156 36.551 38.000 -0.489 0.000 3.561 364 I HN 0.796 nan 8.210 nan 0.000 1.089 365 T N -0.676 113.761 114.554 -0.195 0.000 2.913 365 T HA 0.234 4.589 4.350 0.007 0.000 0.341 365 T C -1.083 173.554 174.700 -0.106 0.000 1.855 365 T CA -0.381 61.612 62.100 -0.178 0.000 1.049 365 T CB 1.623 70.295 68.868 -0.326 0.000 1.769 365 T HN 0.327 nan 8.240 nan 0.000 0.511 366 Q N 0.886 120.632 119.800 -0.090 0.000 2.164 366 Q HA 0.393 4.738 4.340 0.007 0.000 0.226 366 Q C 0.630 176.610 176.000 -0.033 0.000 0.813 366 Q CA -0.144 55.629 55.803 -0.049 0.000 0.978 366 Q CB 0.906 29.611 28.738 -0.056 0.000 1.149 366 Q HN 0.489 nan 8.270 nan 0.000 0.489 367 L N 0.561 121.757 121.223 -0.044 0.000 2.598 367 L HA 0.086 4.430 4.340 0.007 0.000 0.202 367 L C 1.332 178.242 176.870 0.067 0.000 1.190 367 L CA 0.165 55.007 54.840 0.003 0.000 0.869 367 L CB 0.374 42.431 42.059 -0.004 0.000 1.529 367 L HN 0.128 nan 8.230 nan 0.000 0.520 368 E N -0.142 120.122 120.200 0.107 0.000 3.798 368 E HA 0.043 4.397 4.350 0.007 0.000 0.565 368 E C 0.453 177.165 176.600 0.186 0.000 0.242 368 E CA 0.210 56.677 56.400 0.113 0.000 3.433 368 E CB -0.261 29.486 29.700 0.079 0.000 2.362 368 E HN 0.680 nan 8.360 nan 0.000 0.333 369 G N 0.438 109.315 108.800 0.129 0.000 2.406 369 G HA2 -0.114 3.850 3.960 0.007 0.000 0.291 369 G HA3 -0.114 3.850 3.960 0.007 0.000 0.291 369 G C -0.594 174.324 174.900 0.030 0.000 0.640 369 G CA 0.577 45.713 45.100 0.060 0.000 2.035 369 G HN 0.271 nan 8.290 nan 0.000 0.489 370 F N -0.269 119.694 119.950 0.022 0.000 2.538 370 F HA 0.222 4.753 4.527 0.007 0.000 0.390 370 F C 1.194 177.021 175.800 0.044 0.000 1.448 370 F CA -0.549 57.472 58.000 0.035 0.000 1.115 370 F CB 0.718 39.736 39.000 0.029 0.000 1.268 370 F HN 0.379 nan 8.300 nan 0.000 0.515 371 E N -0.594 119.678 120.200 0.120 0.000 2.152 371 E HA -0.135 4.219 4.350 0.007 0.000 0.192 371 E C 2.242 178.901 176.600 0.099 0.000 0.983 371 E CA 1.295 57.747 56.400 0.087 0.000 0.818 371 E CB -0.107 29.604 29.700 0.019 0.000 0.758 371 E HN 0.323 nan 8.360 nan 0.000 0.467 372 S N 0.650 116.410 115.700 0.099 0.000 2.428 372 S HA -0.115 4.359 4.470 0.007 0.000 0.230 372 S C 2.039 176.823 174.600 0.305 0.000 1.014 372 S CA 0.751 59.036 58.200 0.142 0.000 0.957 372 S CB -0.025 63.276 63.200 0.168 0.000 0.784 372 S HN 0.094 nan 8.310 nan 0.000 0.499 373 R N 1.114 121.788 120.500 0.291 0.000 2.092 373 R HA 0.105 4.449 4.340 0.007 0.000 0.231 373 R C 2.358 178.871 176.300 0.354 0.000 1.119 373 R CA 1.394 57.687 56.100 0.321 0.000 0.970 373 R CB -0.094 30.414 30.300 0.346 0.000 0.864 373 R HN 0.427 nan 8.270 nan 0.000 0.440 374 K N -0.448 120.132 120.400 0.300 0.000 2.076 374 K HA 0.015 4.339 4.320 0.007 0.000 0.204 374 K C 2.078 178.924 176.600 0.410 0.000 1.051 374 K CA 0.998 57.484 56.287 0.331 0.000 0.949 374 K CB -0.089 32.602 32.500 0.318 0.000 0.726 374 K HN 0.158 nan 8.250 nan 0.000 0.443 375 A N 1.334 124.316 122.820 0.271 0.000 1.869 375 A HA -0.221 4.104 4.320 0.007 0.000 0.218 375 A C 2.022 179.885 177.584 0.465 0.000 1.203 375 A CA 1.617 53.781 52.037 0.211 0.000 0.638 375 A CB -1.083 17.884 19.000 -0.056 0.000 0.831 375 A HN 0.249 nan 8.150 nan 0.000 0.450 376 F N -1.823 118.453 119.950 0.544 0.000 2.126 376 F HA -0.185 4.347 4.527 0.007 0.000 0.299 376 F C 2.115 178.449 175.800 0.889 0.000 1.096 376 F CA 1.765 60.195 58.000 0.717 0.000 1.255 376 F CB -0.420 38.794 39.000 0.356 0.000 0.997 376 F HN 0.336 nan 8.300 nan 0.000 0.479 377 F N 0.050 120.509 119.950 0.848 0.000 2.102 377 F HA -0.248 4.283 4.527 0.007 0.000 0.298 377 F C 2.240 178.393 175.800 0.587 0.000 1.105 377 F CA 1.142 59.587 58.000 0.743 0.000 1.239 377 F CB -0.389 38.911 39.000 0.499 0.000 0.991 377 F HN -0.098 nan 8.300 nan 0.000 0.474 378 L N 0.518 122.182 121.223 0.735 0.000 2.127 378 L HA -0.068 4.276 4.340 0.007 0.000 0.211 378 L C 2.341 179.530 176.870 0.531 0.000 1.089 378 L CA 2.117 57.256 54.840 0.498 0.000 0.757 378 L CB -1.406 40.767 42.059 0.191 0.000 0.899 378 L HN 0.183 nan 8.230 nan 0.000 0.434 379 G N -1.697 107.541 108.800 0.729 0.000 2.402 379 G HA2 -0.367 3.597 3.960 0.007 0.000 0.216 379 G HA3 -0.367 3.597 3.960 0.007 0.000 0.216 379 G C 1.550 176.698 174.900 0.413 0.000 1.162 379 G CA 0.858 46.336 45.100 0.629 0.000 0.777 379 G HN 0.538 nan 8.290 nan 0.000 0.539 380 Y N 0.906 121.409 120.300 0.339 0.000 2.224 380 Y HA -0.035 4.519 4.550 0.007 0.000 0.289 380 Y C 2.840 178.732 175.900 -0.014 0.000 1.146 380 Y CA 1.649 59.798 58.100 0.081 0.000 1.182 380 Y CB -0.141 38.212 38.460 -0.177 0.000 0.983 380 Y HN 0.133 nan 8.280 nan 0.000 0.524 381 M N -0.545 119.073 119.600 0.031 0.000 2.067 381 M HA -0.230 4.254 4.480 0.007 0.000 0.260 381 M C 2.139 178.404 176.300 -0.057 0.000 1.069 381 M CA 2.093 57.372 55.300 -0.034 0.000 1.117 381 M CB -0.484 32.219 32.600 0.171 0.000 1.334 381 M HN 0.297 nan 8.290 nan 0.000 0.407 382 I N 0.107 120.711 120.570 0.057 0.000 2.226 382 I HA -0.311 3.863 4.170 0.007 0.000 0.245 382 I C 2.136 178.222 176.117 -0.051 0.000 1.100 382 I CA 1.328 62.654 61.300 0.043 0.000 1.374 382 I CB -0.602 37.485 38.000 0.145 0.000 1.057 382 I HN 0.382 nan 8.210 nan 0.000 0.413 383 N N 0.949 119.595 118.700 -0.091 0.000 2.036 383 N HA -0.214 4.530 4.740 0.007 0.000 0.195 383 N C 2.052 177.433 175.510 -0.215 0.000 1.037 383 N CA 1.497 54.443 53.050 -0.173 0.000 0.855 383 N CB 0.019 38.373 38.487 -0.221 0.000 1.033 383 N HN 0.059 nan 8.380 nan 0.000 0.423 384 R N 0.056 120.359 120.500 -0.329 0.000 2.091 384 R HA -0.129 4.215 4.340 0.007 0.000 0.238 384 R C 2.121 178.301 176.300 -0.201 0.000 1.136 384 R CA 0.901 56.804 56.100 -0.328 0.000 0.959 384 R CB -1.224 28.784 30.300 -0.486 0.000 0.856 384 R HN 0.367 nan 8.270 nan 0.000 0.437 385 L N 1.285 122.413 121.223 -0.159 0.000 2.012 385 L HA -0.159 4.185 4.340 0.007 0.000 0.210 385 L C 2.214 178.997 176.870 -0.144 0.000 1.073 385 L CA 1.642 56.417 54.840 -0.109 0.000 0.748 385 L CB -0.593 41.433 42.059 -0.055 0.000 0.891 385 L HN 0.098 nan 8.230 nan 0.000 0.431 386 L N -1.428 119.711 121.223 -0.139 0.000 2.017 386 L HA -0.252 4.093 4.340 0.007 0.000 0.208 386 L C 2.565 179.339 176.870 -0.161 0.000 1.073 386 L CA 1.180 55.929 54.840 -0.153 0.000 0.745 386 L CB -0.690 41.294 42.059 -0.125 0.000 0.894 386 L HN 0.281 nan 8.230 nan 0.000 0.432 387 L N -0.653 120.487 121.223 -0.138 0.000 2.137 387 L HA -0.330 4.015 4.340 0.007 0.000 0.213 387 L C 2.721 179.533 176.870 -0.096 0.000 1.085 387 L CA 1.637 56.411 54.840 -0.111 0.000 0.760 387 L CB -0.671 41.328 42.059 -0.100 0.000 0.893 387 L HN 0.431 nan 8.230 nan 0.000 0.434 388 C N -1.233 118.006 119.300 -0.103 0.000 2.475 388 C HA 0.065 4.529 4.460 0.007 0.000 0.279 388 C C 2.848 177.784 174.990 -0.090 0.000 1.322 388 C CA 0.506 59.506 59.018 -0.030 0.000 1.734 388 C CB -0.914 26.877 27.740 0.086 0.000 2.005 388 C HN 0.557 nan 8.230 nan 0.000 0.495 389 A N -0.246 122.358 122.820 -0.360 0.000 2.206 389 A HA 0.222 4.546 4.320 0.007 0.000 0.211 389 A C 1.827 179.317 177.584 -0.157 0.000 1.158 389 A CA 0.856 52.643 52.037 -0.418 0.000 0.761 389 A CB -0.359 18.322 19.000 -0.531 0.000 0.801 389 A HN 0.681 nan 8.150 nan 0.000 0.473 390 L N -1.793 119.356 121.223 -0.124 0.000 2.556 390 L HA 0.152 4.496 4.340 0.007 0.000 0.226 390 L C -0.291 176.547 176.870 -0.053 0.000 1.089 390 L CA 0.010 54.793 54.840 -0.096 0.000 0.864 390 L CB -0.193 41.794 42.059 -0.121 0.000 1.067 390 L HN 0.186 nan 8.230 nan 0.000 0.477 391 D N 1.077 121.461 120.400 -0.027 0.000 2.809 391 D HA -0.157 4.487 4.640 0.007 0.000 0.234 391 D C 0.938 177.231 176.300 -0.012 0.000 1.111 391 D CA 0.523 54.523 54.000 -0.000 0.000 0.726 391 D CB -0.802 40.004 40.800 0.009 0.000 1.089 391 D HN 0.406 nan 8.370 nan 0.000 0.436 392 R N -0.483 120.002 120.500 -0.024 0.000 2.335 392 R HA 0.133 4.477 4.340 0.007 0.000 0.210 392 R C 0.661 176.954 176.300 -0.011 0.000 0.892 392 R CA 0.175 56.263 56.100 -0.021 0.000 1.048 392 R CB 0.827 31.106 30.300 -0.036 0.000 1.067 392 R HN -0.098 nan 8.270 nan 0.000 0.524 393 K N 1.131 121.525 120.400 -0.010 0.000 2.523 393 K HA 0.201 4.525 4.320 0.007 0.000 0.257 393 K C -1.727 174.881 176.600 0.014 0.000 0.932 393 K CA -0.628 55.657 56.287 -0.003 0.000 0.812 393 K CB 2.385 34.872 32.500 -0.022 0.000 1.326 393 K HN -0.096 nan 8.250 nan 0.000 0.433 394 D N 1.492 121.907 120.400 0.025 0.000 2.264 394 D HA 0.033 4.677 4.640 0.007 0.000 0.249 394 D C 0.170 176.499 176.300 0.049 0.000 1.070 394 D CA -0.290 53.735 54.000 0.042 0.000 0.912 394 D CB 0.756 41.584 40.800 0.047 0.000 1.193 394 D HN 0.177 nan 8.370 nan 0.000 0.427 395 Q N 1.838 121.680 119.800 0.070 0.000 2.362 395 Q HA -0.114 4.230 4.340 0.007 0.000 0.305 395 Q C -0.769 175.306 176.000 0.124 0.000 1.120 395 Q CA -0.114 55.747 55.803 0.096 0.000 1.011 395 Q CB 0.087 28.892 28.738 0.113 0.000 1.048 395 Q HN 0.353 nan 8.270 nan 0.000 0.386 396 D N 3.663 124.100 120.400 0.062 0.000 2.752 396 D HA -0.143 4.501 4.640 0.007 0.000 0.225 396 D C -0.567 175.872 176.300 0.231 0.000 1.104 396 D CA 0.853 54.899 54.000 0.076 0.000 0.832 396 D CB 0.370 41.100 40.800 -0.115 0.000 1.161 396 D HN 0.413 nan 8.370 nan 0.000 0.505 397 D N 1.916 122.419 120.400 0.173 0.000 2.401 397 D HA 0.025 4.670 4.640 0.007 0.000 0.254 397 D C 0.911 177.320 176.300 0.182 0.000 1.192 397 D CA 0.132 54.242 54.000 0.184 0.000 0.885 397 D CB 0.647 41.574 40.800 0.210 0.000 1.147 397 D HN 0.295 nan 8.370 nan 0.000 0.478 398 R N 2.351 122.943 120.500 0.153 0.000 2.066 398 R HA -0.034 4.310 4.340 0.007 0.000 0.224 398 R C 0.743 177.067 176.300 0.041 0.000 1.122 398 R CA 0.682 56.857 56.100 0.124 0.000 0.974 398 R CB 0.231 30.556 30.300 0.042 0.000 0.871 398 R HN 0.495 nan 8.270 nan 0.000 0.435 399 D N 0.009 120.376 120.400 -0.055 0.000 2.363 399 D HA -0.097 4.547 4.640 0.007 0.000 0.220 399 D C 0.440 176.547 176.300 -0.322 0.000 0.994 399 D CA 0.497 54.395 54.000 -0.168 0.000 0.890 399 D CB -0.347 40.323 40.800 -0.215 0.000 0.906 399 D HN 0.156 nan 8.370 nan 0.000 0.530 400 H N 0.752 119.593 119.070 -0.382 0.000 3.192 400 H HA -0.166 4.395 4.556 0.007 0.000 0.295 400 H C 0.831 176.151 175.328 -0.013 0.000 0.943 400 H CA 0.164 56.063 56.048 -0.248 0.000 1.416 400 H CB 0.151 29.885 29.762 -0.046 0.000 1.434 400 H HN -0.055 nan 8.280 nan 0.000 0.565 401 F N 4.093 124.050 119.950 0.013 0.000 2.186 401 F HA -0.018 4.513 4.527 0.007 0.000 0.299 401 F C 2.417 178.293 175.800 0.126 0.000 1.090 401 F CA 1.541 59.585 58.000 0.074 0.000 1.307 401 F CB -0.518 38.541 39.000 0.098 0.000 1.019 401 F HN 0.710 nan 8.300 nan 0.000 0.489 402 G N -0.516 108.476 108.800 0.320 0.000 2.807 402 G HA2 -0.159 3.805 3.960 0.007 0.000 0.207 402 G HA3 -0.159 3.805 3.960 0.007 0.000 0.207 402 G C 1.292 176.116 174.900 -0.127 0.000 1.151 402 G CA 0.249 45.382 45.100 0.054 0.000 0.800 402 G HN 0.346 nan 8.290 nan 0.000 0.523 403 K N -0.431 119.919 120.400 -0.083 0.000 2.501 403 K HA 0.172 4.496 4.320 0.007 0.000 0.204 403 K C 0.170 176.699 176.600 -0.118 0.000 1.067 403 K CA -0.086 56.117 56.287 -0.139 0.000 1.060 403 K CB 0.836 33.284 32.500 -0.086 0.000 0.873 403 K HN 0.160 nan 8.250 nan 0.000 0.540 404 K N 1.045 121.354 120.400 -0.152 0.000 2.281 404 K HA 0.471 4.796 4.320 0.007 0.000 0.242 404 K C -0.314 176.120 176.600 -0.277 0.000 0.971 404 K CA -1.080 55.109 56.287 -0.163 0.000 0.834 404 K CB 1.827 34.280 32.500 -0.079 0.000 1.181 404 K HN -0.194 nan 8.250 nan 0.000 0.435 405 R N 1.269 121.645 120.500 -0.206 0.000 2.750 405 R HA 0.477 4.821 4.340 0.007 0.000 0.281 405 R C -0.594 175.613 176.300 -0.155 0.000 0.972 405 R CA -0.877 55.101 56.100 -0.204 0.000 0.912 405 R CB 1.240 31.453 30.300 -0.146 0.000 1.187 405 R HN 0.528 nan 8.270 nan 0.000 0.464 406 L N 1.800 122.935 121.223 -0.146 0.000 2.292 406 L HA 0.330 4.674 4.340 0.007 0.000 0.284 406 L C -0.223 176.605 176.870 -0.070 0.000 1.065 406 L CA -0.663 54.122 54.840 -0.091 0.000 0.806 406 L CB 0.984 42.996 42.059 -0.078 0.000 1.175 406 L HN 0.274 nan 8.230 nan 0.000 0.431 407 D N 3.364 123.724 120.400 -0.066 0.000 2.359 407 D HA 0.493 5.137 4.640 0.007 0.000 0.230 407 D C -0.162 176.097 176.300 -0.069 0.000 1.118 407 D CA -0.163 53.801 54.000 -0.059 0.000 0.844 407 D CB 1.643 42.405 40.800 -0.064 0.000 1.059 407 D HN 0.148 nan 8.370 nan 0.000 0.493 408 L N 1.265 122.465 121.223 -0.039 0.000 2.635 408 L HA 0.507 4.852 4.340 0.007 0.000 0.250 408 L C 1.946 178.813 176.870 -0.006 0.000 1.117 408 L CA -0.436 54.387 54.840 -0.028 0.000 0.834 408 L CB 0.248 42.308 42.059 0.002 0.000 1.544 408 L HN 0.390 nan 8.230 nan 0.000 0.511 409 A N 0.117 122.966 122.820 0.049 0.000 1.903 409 A HA -0.165 4.159 4.320 0.007 0.000 0.219 409 A C 2.037 179.665 177.584 0.073 0.000 1.191 409 A CA 2.271 54.387 52.037 0.131 0.000 0.638 409 A CB -1.679 17.509 19.000 0.314 0.000 0.823 409 A HN 0.877 nan 8.150 nan 0.000 0.451 410 G N 0.036 108.880 108.800 0.075 0.000 2.639 410 G HA2 -0.209 3.755 3.960 0.007 0.000 0.216 410 G HA3 -0.209 3.755 3.960 0.007 0.000 0.216 410 G C -0.261 174.619 174.900 -0.033 0.000 1.267 410 G CA 1.362 46.460 45.100 -0.003 0.000 0.801 410 G HN 0.481 nan 8.290 nan 0.000 0.592 411 P HA -0.061 nan 4.420 nan 0.000 0.219 411 P C 1.931 179.283 177.300 0.087 0.000 1.144 411 P CA 0.801 63.948 63.100 0.077 0.000 0.806 411 P CB -0.079 31.651 31.700 0.049 0.000 0.771 412 L N -1.937 119.330 121.223 0.072 0.000 2.127 412 L HA -0.051 4.293 4.340 0.007 0.000 0.203 412 L C 2.336 179.453 176.870 0.411 0.000 1.080 412 L CA 1.028 56.007 54.840 0.231 0.000 0.768 412 L CB -0.689 41.385 42.059 0.026 0.000 0.924 412 L HN -0.029 nan 8.230 nan 0.000 0.444 413 L N -0.421 120.842 121.223 0.067 0.000 2.217 413 L HA -0.100 4.244 4.340 0.007 0.000 0.211 413 L C 2.772 179.601 176.870 -0.069 0.000 1.107 413 L CA 0.746 55.485 54.840 -0.168 0.000 0.783 413 L CB -0.564 41.090 42.059 -0.674 0.000 0.919 413 L HN 0.209 nan 8.230 nan 0.000 0.442 414 A N -0.581 122.242 122.820 0.005 0.000 1.969 414 A HA -0.245 4.080 4.320 0.007 0.000 0.218 414 A C 2.262 179.998 177.584 0.253 0.000 1.169 414 A CA 1.426 53.663 52.037 0.333 0.000 0.635 414 A CB -0.397 18.806 19.000 0.339 0.000 0.810 414 A HN 0.455 nan 8.150 nan 0.000 0.445 415 Q N -0.829 119.096 119.800 0.210 0.000 2.172 415 Q HA -0.015 4.329 4.340 0.007 0.000 0.200 415 Q C 1.914 177.999 176.000 0.141 0.000 0.964 415 Q CA 0.848 56.767 55.803 0.193 0.000 0.855 415 Q CB -0.067 28.815 28.738 0.240 0.000 0.918 415 Q HN 0.695 nan 8.270 nan 0.000 0.444 416 L N -0.604 120.676 121.223 0.094 0.000 2.022 416 L HA -0.093 4.251 4.340 0.007 0.000 0.204 416 L C 2.157 179.060 176.870 0.054 0.000 1.076 416 L CA 0.777 55.587 54.840 -0.050 0.000 0.749 416 L CB -0.398 41.499 42.059 -0.270 0.000 0.903 416 L HN 0.218 nan 8.230 nan 0.000 0.439 417 F N 0.920 120.877 119.950 0.011 0.000 2.147 417 F HA -0.336 4.195 4.527 0.007 0.000 0.301 417 F C 2.472 178.335 175.800 0.104 0.000 1.084 417 F CA 1.726 59.767 58.000 0.069 0.000 1.268 417 F CB -0.128 38.966 39.000 0.157 0.000 1.009 417 F HN -0.049 nan 8.300 nan 0.000 0.486 418 K N -0.852 119.689 120.400 0.236 0.000 2.009 418 K HA -0.172 4.152 4.320 0.007 0.000 0.210 418 K C 1.829 178.461 176.600 0.053 0.000 1.049 418 K CA 2.111 58.497 56.287 0.165 0.000 0.929 418 K CB -0.692 31.901 32.500 0.156 0.000 0.714 418 K HN 0.239 nan 8.250 nan 0.000 0.440 419 T N 1.418 115.981 114.554 0.015 0.000 3.035 419 T HA -0.010 4.345 4.350 0.007 0.000 0.268 419 T C 1.781 176.422 174.700 -0.099 0.000 1.109 419 T CA 0.656 62.734 62.100 -0.037 0.000 1.119 419 T CB 0.076 68.924 68.868 -0.033 0.000 0.900 419 T HN 0.088 nan 8.240 nan 0.000 0.503 420 L N -0.638 120.501 121.223 -0.139 0.000 2.200 420 L HA 0.279 4.623 4.340 0.007 0.000 0.200 420 L C 2.011 178.740 176.870 -0.235 0.000 1.072 420 L CA 0.551 55.270 54.840 -0.203 0.000 0.787 420 L CB -0.198 41.710 42.059 -0.251 0.000 0.957 420 L HN 0.179 nan 8.230 nan 0.000 0.459 421 F N 0.601 120.262 119.950 -0.481 0.000 2.451 421 F HA -0.117 4.414 4.527 0.007 0.000 0.299 421 F C 2.208 177.844 175.800 -0.274 0.000 1.101 421 F CA 1.241 58.963 58.000 -0.463 0.000 1.436 421 F CB -0.126 38.518 39.000 -0.592 0.000 1.074 421 F HN -0.130 nan 8.300 nan 0.000 0.553 422 K N 0.367 120.578 120.400 -0.315 0.000 2.076 422 K HA -0.144 4.180 4.320 0.007 0.000 0.204 422 K C 2.178 178.614 176.600 -0.273 0.000 1.051 422 K CA 0.961 57.055 56.287 -0.321 0.000 0.949 422 K CB -0.157 32.248 32.500 -0.158 0.000 0.726 422 K HN 0.194 nan 8.250 nan 0.000 0.443 423 K N 1.082 121.358 120.400 -0.206 0.000 2.209 423 K HA -0.156 4.169 4.320 0.007 0.000 0.204 423 K C 2.029 178.530 176.600 -0.165 0.000 1.048 423 K CA 0.771 56.962 56.287 -0.159 0.000 0.940 423 K CB 0.050 32.471 32.500 -0.132 0.000 0.729 423 K HN -0.012 nan 8.250 nan 0.000 0.451 424 L N 0.830 121.915 121.223 -0.231 0.000 2.068 424 L HA -0.068 4.277 4.340 0.007 0.000 0.204 424 L C 2.004 178.733 176.870 -0.235 0.000 1.076 424 L CA 1.833 56.548 54.840 -0.208 0.000 0.753 424 L CB -0.815 41.114 42.059 -0.217 0.000 0.910 424 L HN 0.083 nan 8.230 nan 0.000 0.439 425 T N 0.458 114.749 114.554 -0.437 0.000 2.685 425 T HA -0.278 4.076 4.350 0.007 0.000 0.268 425 T C 1.416 176.051 174.700 -0.107 0.000 1.034 425 T CA 2.099 63.977 62.100 -0.369 0.000 1.149 425 T CB -0.329 68.232 68.868 -0.511 0.000 0.860 425 T HN 0.533 nan 8.240 nan 0.000 0.449 426 K N 0.079 120.410 120.400 -0.116 0.000 2.500 426 K HA 0.199 4.523 4.320 0.007 0.000 0.206 426 K C 0.415 177.039 176.600 0.040 0.000 1.034 426 K CA 0.285 56.545 56.287 -0.044 0.000 1.179 426 K CB 0.489 32.900 32.500 -0.148 0.000 0.884 426 K HN 0.062 nan 8.250 nan 0.000 0.493 427 D N 0.743 121.169 120.400 0.043 0.000 2.597 427 D HA 0.178 4.823 4.640 0.007 0.000 0.261 427 D C 1.493 177.872 176.300 0.131 0.000 1.023 427 D CA 0.269 54.314 54.000 0.075 0.000 0.927 427 D CB 0.212 41.029 40.800 0.028 0.000 1.168 427 D HN 0.160 nan 8.370 nan 0.000 0.491 428 I N 0.420 121.053 120.570 0.105 0.000 2.700 428 I HA -0.193 3.982 4.170 0.007 0.000 0.261 428 I C 1.787 178.001 176.117 0.161 0.000 1.219 428 I CA 0.646 62.013 61.300 0.111 0.000 1.463 428 I CB -0.122 37.938 38.000 0.099 0.000 1.092 428 I HN -0.027 nan 8.210 nan 0.000 0.452 429 F N 1.474 121.451 119.950 0.045 0.000 2.187 429 F HA -0.082 4.450 4.527 0.007 0.000 0.295 429 F C 2.669 178.502 175.800 0.056 0.000 1.091 429 F CA 1.310 59.336 58.000 0.042 0.000 1.308 429 F CB -0.070 38.933 39.000 0.006 0.000 1.030 429 F HN -0.209 nan 8.300 nan 0.000 0.487 430 R N -1.320 119.353 120.500 0.289 0.000 2.096 430 R HA -0.216 4.128 4.340 0.007 0.000 0.235 430 R C 2.100 178.460 176.300 0.101 0.000 1.127 430 R CA 1.719 57.926 56.100 0.179 0.000 0.968 430 R CB -0.730 29.652 30.300 0.137 0.000 0.861 430 R HN 0.389 nan 8.270 nan 0.000 0.440 431 Y N 0.737 121.045 120.300 0.013 0.000 2.207 431 Y HA -0.223 4.331 4.550 0.007 0.000 0.287 431 Y C 2.110 177.980 175.900 -0.051 0.000 1.156 431 Y CA 1.736 59.828 58.100 -0.013 0.000 1.182 431 Y CB 0.038 38.495 38.460 -0.005 0.000 0.979 431 Y HN -0.009 nan 8.280 nan 0.000 0.521 432 M N -0.715 118.935 119.600 0.082 0.000 2.319 432 M HA -0.219 4.265 4.480 0.007 0.000 0.265 432 M C 1.945 178.173 176.300 -0.120 0.000 1.068 432 M CA 1.397 56.668 55.300 -0.049 0.000 1.118 432 M CB -0.178 32.313 32.600 -0.180 0.000 1.395 432 M HN 0.267 nan 8.290 nan 0.000 0.435 433 Q N 0.135 119.866 119.800 -0.116 0.000 2.437 433 Q HA -0.053 4.291 4.340 0.007 0.000 0.210 433 Q C 0.708 176.662 176.000 -0.077 0.000 0.972 433 Q CA 0.788 56.545 55.803 -0.076 0.000 0.903 433 Q CB 0.177 28.916 28.738 0.000 0.000 0.967 433 Q HN 0.429 nan 8.270 nan 0.000 0.486 434 R N 0.057 120.484 120.500 -0.122 0.000 2.831 434 R HA 0.153 4.497 4.340 0.007 0.000 0.337 434 R C -0.624 175.567 176.300 -0.181 0.000 1.200 434 R CA -0.022 55.980 56.100 -0.164 0.000 1.088 434 R CB 0.864 31.021 30.300 -0.238 0.000 1.397 434 R HN -0.107 nan 8.270 nan 0.000 0.581 435 T N 0.522 115.006 114.554 -0.116 0.000 2.910 435 T HA 0.147 4.501 4.350 0.007 0.000 0.323 435 T C 1.268 175.932 174.700 -0.060 0.000 1.091 435 T CA -0.334 61.718 62.100 -0.080 0.000 0.960 435 T CB 1.536 70.377 68.868 -0.046 0.000 1.024 435 T HN -0.091 nan 8.240 nan 0.000 0.509 436 V N 2.765 122.644 119.914 -0.059 0.000 2.326 436 V HA 0.001 4.125 4.120 0.007 0.000 0.237 436 V C 1.317 177.392 176.094 -0.031 0.000 1.044 436 V CA 0.816 63.090 62.300 -0.044 0.000 1.035 436 V CB -0.371 31.426 31.823 -0.044 0.000 0.675 436 V HN 0.791 nan 8.190 nan 0.000 0.470 447 A N 0.485 123.085 122.820 -0.366 0.000 2.538 447 A HA 0.612 4.937 4.320 0.007 0.000 0.276 447 A C 0.058 177.486 177.584 -0.260 0.000 0.908 447 A CA -0.083 51.641 52.037 -0.521 0.000 1.042 447 A CB 0.176 18.123 19.000 -1.755 0.000 1.218 447 A HN 0.221 nan 8.150 nan 0.000 0.517 448 I N 1.668 122.155 120.570 -0.139 0.000 2.291 448 I HA 0.149 4.324 4.170 0.007 0.000 0.292 448 I C 0.364 176.479 176.117 -0.003 0.000 1.064 448 I CA -0.512 60.764 61.300 -0.041 0.000 1.269 448 I CB 0.659 38.661 38.000 0.004 0.000 1.418 448 I HN 0.183 nan 8.210 nan 0.000 0.485 449 N N 5.935 124.639 118.700 0.005 0.000 2.744 449 N HA 0.101 4.845 4.740 0.007 0.000 0.290 449 N C 1.169 176.689 175.510 0.016 0.000 1.206 449 N CA 0.087 53.151 53.050 0.024 0.000 1.119 449 N CB 0.815 39.316 38.487 0.024 0.000 1.449 449 N HN 0.786 nan 8.380 nan 0.000 0.514 450 A N 3.218 126.057 122.820 0.030 0.000 2.042 450 A HA -0.202 4.122 4.320 0.007 0.000 0.222 450 A C 2.159 179.745 177.584 0.003 0.000 1.167 450 A CA 1.248 53.267 52.037 -0.031 0.000 0.649 450 A CB -0.351 18.634 19.000 -0.025 0.000 0.809 450 A HN 0.647 nan 8.150 nan 0.000 0.457 451 K N -0.687 119.745 120.400 0.055 0.000 2.152 451 K HA -0.153 4.171 4.320 0.007 0.000 0.206 451 K C 1.952 178.560 176.600 0.014 0.000 1.048 451 K CA 1.759 58.078 56.287 0.054 0.000 0.933 451 K CB -0.372 32.162 32.500 0.057 0.000 0.721 451 K HN 0.558 nan 8.250 nan 0.000 0.447 452 T N 1.910 116.457 114.554 -0.011 0.000 2.570 452 T HA -0.206 4.148 4.350 0.007 0.000 0.266 452 T C 1.886 176.551 174.700 -0.059 0.000 1.071 452 T CA 1.806 63.881 62.100 -0.042 0.000 1.172 452 T CB -0.235 68.597 68.868 -0.059 0.000 0.864 452 T HN 0.215 nan 8.240 nan 0.000 0.421 453 I N 0.977 121.504 120.570 -0.072 0.000 2.315 453 I HA -0.156 4.019 4.170 0.007 0.000 0.248 453 I C 2.645 178.754 176.117 -0.013 0.000 1.117 453 I CA 1.156 62.407 61.300 -0.083 0.000 1.404 453 I CB -0.607 37.325 38.000 -0.115 0.000 1.071 453 I HN 0.328 nan 8.210 nan 0.000 0.419 454 T N 0.077 114.637 114.554 0.009 0.000 2.812 454 T HA -0.123 4.231 4.350 0.007 0.000 0.264 454 T C 2.041 176.767 174.700 0.044 0.000 1.042 454 T CA 1.707 63.838 62.100 0.051 0.000 1.140 454 T CB -0.234 68.689 68.868 0.091 0.000 0.870 454 T HN 0.491 nan 8.240 nan 0.000 0.445 455 S N 1.177 116.895 115.700 0.031 0.000 2.436 455 S HA 0.087 4.561 4.470 0.007 0.000 0.228 455 S C 2.363 176.982 174.600 0.031 0.000 1.014 455 S CA 0.886 59.109 58.200 0.038 0.000 0.950 455 S CB -0.812 62.407 63.200 0.032 0.000 0.784 455 S HN 0.488 nan 8.310 nan 0.000 0.504 456 G N 1.898 110.686 108.800 -0.019 0.000 2.394 456 G HA2 0.072 4.036 3.960 0.007 0.000 0.215 456 G HA3 0.072 4.036 3.960 0.007 0.000 0.215 456 G C 1.417 176.280 174.900 -0.061 0.000 1.165 456 G CA 0.541 45.602 45.100 -0.064 0.000 0.784 456 G HN 0.483 nan 8.290 nan 0.000 0.535 457 L N -0.173 121.020 121.223 -0.050 0.000 2.201 457 L HA -0.004 4.340 4.340 0.007 0.000 0.212 457 L C 2.908 179.748 176.870 -0.050 0.000 1.105 457 L CA 0.832 55.628 54.840 -0.073 0.000 0.775 457 L CB -0.190 41.868 42.059 -0.002 0.000 0.913 457 L HN 0.203 nan 8.230 nan 0.000 0.440 458 K N -0.636 119.771 120.400 0.013 0.000 1.991 458 K HA -0.204 4.121 4.320 0.007 0.000 0.207 458 K C 2.108 178.738 176.600 0.050 0.000 1.045 458 K CA 1.516 57.824 56.287 0.035 0.000 0.937 458 K CB -0.354 32.181 32.500 0.058 0.000 0.720 458 K HN 0.134 nan 8.250 nan 0.000 0.438 459 Y N 1.489 121.757 120.300 -0.053 0.000 2.081 459 Y HA -0.355 4.199 4.550 0.007 0.000 0.280 459 Y C 2.183 178.049 175.900 -0.057 0.000 1.163 459 Y CA 1.924 59.997 58.100 -0.045 0.000 1.135 459 Y CB -0.271 38.157 38.460 -0.053 0.000 0.970 459 Y HN 0.107 nan 8.280 nan 0.000 0.498 460 A N -0.293 122.655 122.820 0.213 0.000 1.972 460 A HA -0.152 4.172 4.320 0.007 0.000 0.219 460 A C 1.802 179.427 177.584 0.068 0.000 1.169 460 A CA 1.810 53.865 52.037 0.029 0.000 0.635 460 A CB -0.850 17.826 19.000 -0.540 0.000 0.810 460 A HN 0.507 nan 8.150 nan 0.000 0.446 461 L N -1.417 119.813 121.223 0.011 0.000 2.592 461 L HA 0.265 4.610 4.340 0.007 0.000 0.227 461 L C 2.248 179.147 176.870 0.050 0.000 1.127 461 L CA 0.975 55.865 54.840 0.084 0.000 0.884 461 L CB 0.081 42.120 42.059 -0.032 0.000 1.065 461 L HN 0.350 nan 8.230 nan 0.000 0.457 462 A N -1.748 121.060 122.820 -0.019 0.000 2.085 462 A HA 0.114 4.438 4.320 0.007 0.000 0.208 462 A C 1.956 179.475 177.584 -0.108 0.000 1.191 462 A CA 1.209 53.206 52.037 -0.066 0.000 0.799 462 A CB -0.078 18.852 19.000 -0.116 0.000 0.877 462 A HN 0.338 nan 8.150 nan 0.000 0.473 463 T N -2.961 111.500 114.554 -0.154 0.000 3.151 463 T HA 0.449 4.804 4.350 0.007 0.000 0.239 463 T C 1.504 176.215 174.700 0.019 0.000 0.979 463 T CA 0.996 63.017 62.100 -0.133 0.000 1.194 463 T CB 0.200 68.890 68.868 -0.297 0.000 0.982 463 T HN 1.344 nan 8.240 nan 0.000 0.428 464 G N 1.804 110.681 108.800 0.128 0.000 2.211 464 G HA2 -0.193 3.772 3.960 0.007 0.000 0.201 464 G HA3 -0.193 3.772 3.960 0.007 0.000 0.201 464 G C 0.056 175.123 174.900 0.278 0.000 0.997 464 G CA -0.360 44.870 45.100 0.216 0.000 0.652 464 G HN 0.497 nan 8.290 nan 0.000 0.500 465 N N 1.141 119.993 118.700 0.255 0.000 3.027 465 N HA 0.065 4.809 4.740 0.007 0.000 0.309 465 N C 1.232 176.963 175.510 0.368 0.000 1.222 465 N CA -0.266 52.963 53.050 0.297 0.000 1.187 465 N CB 0.020 38.708 38.487 0.334 0.000 1.458 465 N HN 0.564 nan 8.380 nan 0.000 0.535 466 W N 1.814 123.166 121.300 0.086 0.000 2.292 466 W HA -0.162 4.502 4.660 0.007 0.000 0.330 466 W C 1.290 177.836 176.519 0.045 0.000 1.264 466 W CA 0.850 58.231 57.345 0.061 0.000 1.235 466 W CB -0.099 29.378 29.460 0.027 0.000 1.164 466 W HN 0.308 nan 8.180 nan 0.000 0.461 467 G N 1.640 110.554 108.800 0.189 0.000 2.661 467 G HA2 0.099 4.064 3.960 0.007 0.000 0.292 467 G HA3 0.099 4.064 3.960 0.007 0.000 0.292 467 G C 0.193 175.065 174.900 -0.048 0.000 0.781 467 G CA 0.399 45.524 45.100 0.042 0.000 1.860 467 G HN 0.470 nan 8.290 nan 0.000 0.512 468 E N 0.757 120.868 120.200 -0.149 0.000 3.296 468 E HA -0.308 4.047 4.350 0.007 0.000 0.422 468 E C 0.550 176.952 176.600 -0.329 0.000 1.557 468 E CA 1.775 58.041 56.400 -0.223 0.000 1.302 468 E CB -0.498 29.102 29.700 -0.168 0.000 1.497 468 E HN 0.623 nan 8.360 nan 0.000 0.467 475 S N 1.513 117.248 115.700 0.057 0.000 2.740 475 S HA 0.763 5.237 4.470 0.007 0.000 0.300 475 S C -0.424 174.228 174.600 0.087 0.000 1.147 475 S CA -1.341 56.913 58.200 0.091 0.000 0.871 475 S CB 1.281 64.556 63.200 0.125 0.000 1.173 475 S HN 0.419 nan 8.310 nan 0.000 0.510 476 R N 0.313 120.877 120.500 0.107 0.000 3.559 476 R HA 0.696 5.041 4.340 0.007 0.000 0.273 476 R C 0.251 176.592 176.300 0.069 0.000 1.423 476 R CA -0.453 55.686 56.100 0.066 0.000 1.581 476 R CB -0.227 30.091 30.300 0.031 0.000 1.338 476 R HN 0.716 nan 8.270 nan 0.000 0.667 477 A N 0.842 123.713 122.820 0.085 0.000 2.547 477 A HA 0.392 4.717 4.320 0.007 0.000 0.233 477 A C 1.472 179.078 177.584 0.038 0.000 1.067 477 A CA 0.821 52.908 52.037 0.083 0.000 0.763 477 A CB -0.292 18.754 19.000 0.077 0.000 1.007 477 A HN 1.102 nan 8.150 nan 0.000 0.506 478 G N -0.103 108.715 108.800 0.029 0.000 2.192 478 G HA2 -0.023 3.941 3.960 0.007 0.000 0.193 478 G HA3 -0.023 3.941 3.960 0.007 0.000 0.193 478 G C 0.047 174.927 174.900 -0.033 0.000 0.999 478 G CA -0.035 45.066 45.100 0.002 0.000 0.659 478 G HN 1.343 nan 8.290 nan 0.000 0.503 479 V N 0.577 120.458 119.914 -0.055 0.000 3.134 479 V HA 0.792 4.917 4.120 0.007 0.000 0.313 479 V C 1.337 177.387 176.094 -0.072 0.000 1.069 479 V CA 0.330 62.535 62.300 -0.159 0.000 1.048 479 V CB 1.455 33.038 31.823 -0.400 0.000 1.119 479 V HN 1.864 nan 8.190 nan 0.000 0.461 480 S N 1.706 117.344 115.700 -0.104 0.000 3.441 480 S HA -0.162 4.313 4.470 0.007 0.000 0.521 480 S C -0.582 174.038 174.600 0.033 0.000 0.703 480 S CA 0.656 58.859 58.200 0.006 0.000 1.346 480 S CB -0.614 62.667 63.200 0.134 0.000 1.241 480 S HN 0.826 nan 8.310 nan 0.000 0.764 481 Q N 2.474 122.289 119.800 0.026 0.000 2.496 481 Q HA 0.699 5.043 4.340 0.007 0.000 0.286 481 Q C -0.372 175.684 176.000 0.092 0.000 1.103 481 Q CA -1.134 54.712 55.803 0.072 0.000 0.813 481 Q CB 1.664 30.484 28.738 0.136 0.000 1.444 481 Q HN 0.534 nan 8.270 nan 0.000 0.443 482 V N 1.479 121.450 119.914 0.095 0.000 2.521 482 V HA 0.044 4.168 4.120 0.007 0.000 0.286 482 V C 0.106 176.252 176.094 0.088 0.000 1.034 482 V CA -0.526 61.810 62.300 0.060 0.000 1.045 482 V CB -0.247 31.588 31.823 0.019 0.000 0.974 482 V HN 0.556 nan 8.190 nan 0.000 0.480 483 L N 5.030 126.264 121.223 0.019 0.000 2.525 483 L HA 0.163 4.507 4.340 0.007 0.000 0.278 483 L C 0.453 177.223 176.870 -0.166 0.000 1.218 483 L CA 0.504 55.348 54.840 0.008 0.000 0.878 483 L CB -0.085 41.864 42.059 -0.183 0.000 1.127 483 L HN 0.689 nan 8.230 nan 0.000 0.492 484 N N 4.364 122.926 118.700 -0.229 0.000 2.415 484 N HA 0.172 4.916 4.740 0.007 0.000 0.250 484 N C -0.082 174.991 175.510 -0.728 0.000 1.127 484 N CA 0.016 52.578 53.050 -0.813 0.000 0.945 484 N CB 0.265 38.154 38.487 -0.998 0.000 1.196 484 N HN 0.375 nan 8.380 nan 0.000 0.499 485 R N 1.725 121.782 120.500 -0.739 0.000 3.179 485 R HA 0.227 4.571 4.340 0.007 0.000 0.317 485 R C 0.440 176.368 176.300 -0.620 0.000 1.331 485 R CA -0.165 55.554 56.100 -0.635 0.000 1.184 485 R CB -0.425 29.426 30.300 -0.750 0.000 1.408 485 R HN 0.628 nan 8.270 nan 0.000 0.598 486 Y N -1.913 118.221 120.300 -0.277 0.000 2.263 486 Y HA 0.056 4.610 4.550 0.007 0.000 0.292 486 Y C 0.554 176.432 175.900 -0.037 0.000 1.130 486 Y CA 0.136 58.125 58.100 -0.184 0.000 1.179 486 Y CB 0.562 38.939 38.460 -0.139 0.000 0.998 486 Y HN -0.101 nan 8.280 nan 0.000 0.532 487 T N -2.373 112.254 114.554 0.121 0.000 2.942 487 T HA 0.053 4.407 4.350 0.007 0.000 0.327 487 T C -0.535 174.271 174.700 0.177 0.000 1.360 487 T CA -0.807 61.412 62.100 0.198 0.000 1.055 487 T CB 1.254 70.228 68.868 0.177 0.000 1.261 487 T HN 0.032 nan 8.240 nan 0.000 0.485 488 Y N 2.373 122.732 120.300 0.098 0.000 2.384 488 Y HA -0.178 4.376 4.550 0.007 0.000 0.289 488 Y C 2.523 178.448 175.900 0.043 0.000 1.152 488 Y CA 2.236 60.365 58.100 0.048 0.000 1.258 488 Y CB -0.090 38.354 38.460 -0.026 0.000 0.979 488 Y HN 0.707 nan 8.280 nan 0.000 0.549 489 S N -2.366 113.408 115.700 0.123 0.000 2.395 489 S HA -0.153 4.321 4.470 0.007 0.000 0.225 489 S C 2.265 176.852 174.600 -0.021 0.000 1.027 489 S CA 0.938 59.175 58.200 0.062 0.000 0.965 489 S CB -0.818 62.496 63.200 0.189 0.000 0.812 489 S HN 0.412 nan 8.310 nan 0.000 0.482 490 S N 1.664 117.362 115.700 -0.004 0.000 2.357 490 S HA -0.103 4.371 4.470 0.007 0.000 0.221 490 S C 1.970 176.500 174.600 -0.118 0.000 1.031 490 S CA 1.835 60.005 58.200 -0.050 0.000 0.982 490 S CB -1.333 61.845 63.200 -0.037 0.000 0.853 490 S HN 0.683 nan 8.310 nan 0.000 0.458 491 T N 2.882 117.343 114.554 -0.156 0.000 2.653 491 T HA -0.123 4.232 4.350 0.007 0.000 0.268 491 T C 1.738 176.338 174.700 -0.168 0.000 1.035 491 T CA 1.733 63.726 62.100 -0.179 0.000 1.154 491 T CB -0.585 68.171 68.868 -0.186 0.000 0.862 491 T HN 0.300 nan 8.240 nan 0.000 0.441 492 L N 0.380 121.460 121.223 -0.238 0.000 2.046 492 L HA -0.089 4.256 4.340 0.007 0.000 0.208 492 L C 2.882 179.679 176.870 -0.120 0.000 1.077 492 L CA 1.059 55.768 54.840 -0.218 0.000 0.747 492 L CB -0.365 41.526 42.059 -0.280 0.000 0.896 492 L HN 0.230 nan 8.230 nan 0.000 0.432 493 S N -1.786 113.863 115.700 -0.086 0.000 2.406 493 S HA -0.223 4.251 4.470 0.007 0.000 0.228 493 S C 1.960 176.564 174.600 0.006 0.000 1.020 493 S CA 0.782 58.954 58.200 -0.046 0.000 0.965 493 S CB -0.316 62.861 63.200 -0.039 0.000 0.798 493 S HN 0.517 nan 8.310 nan 0.000 0.488 494 H N 0.085 119.084 119.070 -0.119 0.000 2.495 494 H HA 0.107 4.668 4.556 0.007 0.000 0.287 494 H C 1.723 176.996 175.328 -0.092 0.000 1.033 494 H CA 0.864 56.845 56.048 -0.112 0.000 1.307 494 H CB 0.086 29.757 29.762 -0.153 0.000 1.401 494 H HN 0.336 nan 8.280 nan 0.000 0.555 495 L N 0.137 121.302 121.223 -0.097 0.000 2.270 495 L HA -0.005 4.339 4.340 0.007 0.000 0.210 495 L C 1.277 178.084 176.870 -0.105 0.000 1.104 495 L CA 0.615 55.375 54.840 -0.133 0.000 0.804 495 L CB 0.036 42.039 42.059 -0.094 0.000 0.937 495 L HN 0.175 nan 8.230 nan 0.000 0.450 496 R N 0.387 120.840 120.500 -0.079 0.000 2.893 496 R HA 0.195 4.539 4.340 0.007 0.000 0.317 496 R C 0.166 176.430 176.300 -0.059 0.000 1.239 496 R CA -0.236 55.823 56.100 -0.068 0.000 1.128 496 R CB 0.113 30.374 30.300 -0.064 0.000 1.377 496 R HN 0.141 nan 8.270 nan 0.000 0.583 497 R N 0.387 120.850 120.500 -0.063 0.000 2.532 497 R HA 0.287 4.631 4.340 0.007 0.000 0.272 497 R C -0.598 175.673 176.300 -0.049 0.000 1.032 497 R CA 0.158 56.234 56.100 -0.041 0.000 1.089 497 R CB 1.295 31.588 30.300 -0.011 0.000 1.098 497 R HN -0.111 nan 8.270 nan 0.000 0.526 498 T N 1.761 116.292 114.554 -0.038 0.000 2.909 498 T HA 0.355 4.709 4.350 0.007 0.000 0.299 498 T C -1.479 173.203 174.700 -0.029 0.000 1.073 498 T CA -0.754 61.326 62.100 -0.033 0.000 0.999 498 T CB 1.305 70.164 68.868 -0.015 0.000 1.098 498 T HN 0.518 nan 8.240 nan 0.000 0.477 499 N N 0.821 119.503 118.700 -0.030 0.000 2.225 499 N HA 0.541 5.285 4.740 0.007 0.000 0.298 499 N C -1.638 173.863 175.510 -0.015 0.000 1.076 499 N CA -0.427 52.606 53.050 -0.028 0.000 0.792 499 N CB 2.183 40.642 38.487 -0.047 0.000 1.498 499 N HN 0.570 nan 8.380 nan 0.000 0.474 500 T N 3.078 117.627 114.554 -0.007 0.000 3.038 500 T HA 0.355 4.709 4.350 0.007 0.000 0.344 500 T C -2.699 171.999 174.700 -0.003 0.000 1.054 500 T CA -0.881 61.221 62.100 0.004 0.000 1.092 500 T CB 1.604 70.488 68.868 0.027 0.000 1.031 500 T HN 0.363 nan 8.240 nan 0.000 0.482 501 P HA 0.552 nan 4.420 nan 0.000 0.271 501 P C -0.514 176.782 177.300 -0.007 0.000 1.216 501 P CA -0.180 62.914 63.100 -0.011 0.000 0.771 501 P CB 0.968 32.659 31.700 -0.015 0.000 0.864 508 L N 0.130 121.344 121.223 -0.016 0.000 0.685 508 L HA -0.156 4.189 4.340 0.007 0.000 0.366 508 L C 0.020 176.881 176.870 -0.016 0.000 1.004 508 L CA 0.518 55.350 54.840 -0.013 0.000 1.217 508 L CB -1.359 40.693 42.059 -0.011 0.000 0.449 508 L HN 0.763 nan 8.230 nan 0.000 0.269 509 A N 1.012 123.824 122.820 -0.013 0.000 2.533 509 A HA 0.232 4.557 4.320 0.007 0.000 0.180 509 A C 1.476 179.060 177.584 -0.001 0.000 1.566 509 A CA 0.387 52.421 52.037 -0.006 0.000 1.153 509 A CB 0.154 19.151 19.000 -0.005 0.000 1.462 509 A HN 0.657 nan 8.150 nan 0.000 0.523 510 K N 1.483 121.882 120.400 -0.002 0.000 2.044 510 K HA -0.190 4.134 4.320 0.007 0.000 0.224 510 K C -0.626 175.986 176.600 0.019 0.000 1.056 510 K CA 2.502 58.794 56.287 0.007 0.000 0.962 510 K CB -1.711 30.790 32.500 0.002 0.000 0.730 510 K HN 0.465 nan 8.250 nan 0.000 0.453 511 P HA -0.283 nan 4.420 nan 0.000 0.221 511 P C 0.973 178.301 177.300 0.046 0.000 1.160 511 P CA 2.053 65.168 63.100 0.025 0.000 0.933 511 P CB -0.273 31.437 31.700 0.017 0.000 0.793 512 R N -0.233 120.288 120.500 0.035 0.000 2.134 512 R HA -0.173 4.172 4.340 0.007 0.000 0.248 512 R C 1.558 177.892 176.300 0.057 0.000 1.143 512 R CA 0.874 56.998 56.100 0.039 0.000 0.957 512 R CB -1.626 28.687 30.300 0.020 0.000 0.867 512 R HN 0.312 nan 8.270 nan 0.000 0.441 513 Q N 1.501 121.330 119.800 0.048 0.000 2.757 513 Q HA -0.099 4.245 4.340 0.007 0.000 0.366 513 Q C -0.721 175.327 176.000 0.081 0.000 1.083 513 Q CA 0.206 56.038 55.803 0.050 0.000 1.146 513 Q CB 0.289 29.053 28.738 0.043 0.000 1.060 513 Q HN 0.129 nan 8.270 nan 0.000 0.416 514 L N 4.948 126.220 121.223 0.083 0.000 2.562 514 L HA 0.082 4.426 4.340 0.007 0.000 0.271 514 L C -0.601 176.303 176.870 0.057 0.000 1.167 514 L CA 0.707 55.635 54.840 0.145 0.000 0.917 514 L CB -0.038 42.088 42.059 0.111 0.000 1.187 514 L HN 0.686 nan 8.230 nan 0.000 0.482 515 H N 3.865 122.814 119.070 -0.202 0.000 2.467 515 H HA 0.306 4.866 4.556 0.007 0.000 0.331 515 H C 1.161 176.299 175.328 -0.317 0.000 1.120 515 H CA -0.140 55.697 56.048 -0.351 0.000 1.270 515 H CB 0.878 30.325 29.762 -0.525 0.000 1.466 515 H HN 0.727 nan 8.280 nan 0.000 0.504 516 N N 1.742 120.143 118.700 -0.498 0.000 2.069 516 N HA -0.259 4.485 4.740 0.007 0.000 0.196 516 N C 1.537 177.018 175.510 -0.047 0.000 1.024 516 N CA 2.311 55.218 53.050 -0.238 0.000 0.869 516 N CB -0.372 37.924 38.487 -0.318 0.000 1.035 516 N HN 0.770 nan 8.380 nan 0.000 0.434 517 T N -0.740 113.817 114.554 0.006 0.000 2.822 517 T HA -0.174 4.181 4.350 0.007 0.000 0.270 517 T C 1.521 176.304 174.700 0.139 0.000 1.064 517 T CA 1.179 63.304 62.100 0.042 0.000 1.131 517 T CB -0.582 68.257 68.868 -0.048 0.000 0.858 517 T HN 0.261 nan 8.240 nan 0.000 0.483 518 H N -0.226 118.849 119.070 0.009 0.000 2.489 518 H HA 0.014 4.574 4.556 0.007 0.000 0.295 518 H C 0.931 176.275 175.328 0.026 0.000 1.082 518 H CA 0.214 56.187 56.048 -0.126 0.000 1.295 518 H CB -0.753 28.886 29.762 -0.206 0.000 1.380 518 H HN 0.591 nan 8.280 nan 0.000 0.548 519 W N 2.141 123.471 121.300 0.050 0.000 2.476 519 W HA 0.089 4.754 4.660 0.007 0.000 0.338 519 W C 0.978 177.505 176.519 0.013 0.000 1.328 519 W CA 1.821 59.173 57.345 0.013 0.000 1.300 519 W CB -0.094 29.358 29.460 -0.014 0.000 1.252 519 W HN 0.505 nan 8.180 nan 0.000 0.568 520 G N 3.892 112.398 108.800 -0.489 0.000 2.253 520 G HA2 -0.357 3.608 3.960 0.007 0.000 0.251 520 G HA3 -0.357 3.608 3.960 0.007 0.000 0.251 520 G C 0.756 175.557 174.900 -0.165 0.000 0.998 520 G CA 0.642 45.508 45.100 -0.389 0.000 0.621 520 G HN 0.562 nan 8.290 nan 0.000 0.524 521 L N -0.717 120.480 121.223 -0.044 0.000 2.356 521 L HA 0.456 4.800 4.340 0.007 0.000 0.193 521 L C 1.291 178.144 176.870 -0.029 0.000 1.087 521 L CA 0.341 55.196 54.840 0.025 0.000 0.817 521 L CB -0.109 42.093 42.059 0.237 0.000 1.035 521 L HN 0.122 nan 8.230 nan 0.000 0.482 522 V N -0.109 119.751 119.914 -0.091 0.000 2.547 522 V HA 0.173 4.297 4.120 0.007 0.000 0.299 522 V C -0.298 175.680 176.094 -0.193 0.000 1.040 522 V CA -1.070 61.105 62.300 -0.209 0.000 0.913 522 V CB 2.272 33.775 31.823 -0.533 0.000 0.992 522 V HN 0.329 nan 8.190 nan 0.000 0.449 523 C N 8.399 127.598 119.300 -0.168 0.000 2.648 523 C HA 0.255 4.719 4.460 0.007 0.000 0.419 523 C C -0.232 174.688 174.990 -0.116 0.000 1.352 523 C CA -0.974 57.964 59.018 -0.133 0.000 1.816 523 C CB 0.319 27.997 27.740 -0.104 0.000 2.598 523 C HN 0.833 nan 8.230 nan 0.000 0.598 524 P HA 0.012 nan 4.420 nan 0.000 0.225 524 P C 0.762 178.055 177.300 -0.012 0.000 1.156 524 P CA 1.798 64.880 63.100 -0.030 0.000 0.787 524 P CB 0.227 31.921 31.700 -0.009 0.000 0.802 525 A N -0.101 122.706 122.820 -0.021 0.000 1.988 525 A HA 0.086 4.410 4.320 0.007 0.000 0.201 525 A C 1.252 178.831 177.584 -0.007 0.000 1.410 525 A CA -0.044 51.993 52.037 0.001 0.000 0.832 525 A CB -0.597 18.409 19.000 0.008 0.000 0.981 525 A HN 0.114 nan 8.150 nan 0.000 0.492 526 E N 1.148 121.330 120.200 -0.031 0.000 2.265 526 E HA 0.363 4.718 4.350 0.007 0.000 0.272 526 E C -0.713 175.861 176.600 -0.044 0.000 1.067 526 E CA 0.375 56.754 56.400 -0.035 0.000 0.900 526 E CB 0.165 29.837 29.700 -0.046 0.000 1.017 526 E HN 0.285 nan 8.360 nan 0.000 0.431 527 T N 4.644 119.177 114.554 -0.036 0.000 3.128 527 T HA 0.271 4.625 4.350 0.007 0.000 0.363 527 T C -2.858 171.813 174.700 -0.049 0.000 1.610 527 T CA -1.324 60.751 62.100 -0.043 0.000 1.126 527 T CB 1.259 70.102 68.868 -0.041 0.000 1.416 527 T HN 0.311 nan 8.240 nan 0.000 0.480 528 P HA 0.387 nan 4.420 nan 0.000 0.272 528 P C -0.785 176.471 177.300 -0.074 0.000 1.240 528 P CA -0.144 62.914 63.100 -0.070 0.000 0.791 528 P CB 0.596 32.264 31.700 -0.054 0.000 0.978 529 E N -0.486 119.654 120.200 -0.100 0.000 2.207 529 E HA 0.537 4.892 4.350 0.007 0.000 0.270 529 E C 0.443 177.003 176.600 -0.066 0.000 0.927 529 E CA -0.803 55.542 56.400 -0.090 0.000 0.799 529 E CB 0.964 30.573 29.700 -0.152 0.000 1.172 529 E HN 0.743 nan 8.360 nan 0.000 0.404 530 G N 1.380 110.154 108.800 -0.043 0.000 2.740 530 G HA2 -0.406 3.558 3.960 0.007 0.000 0.250 530 G HA3 -0.406 3.558 3.960 0.007 0.000 0.250 530 G C 0.409 175.290 174.900 -0.031 0.000 1.358 530 G CA 0.489 45.569 45.100 -0.033 0.000 0.897 530 G HN 0.796 nan 8.290 nan 0.000 0.567 531 Q N -3.062 116.723 119.800 -0.026 0.000 1.863 531 Q HA -0.330 4.014 4.340 0.007 0.000 0.194 531 Q C 1.151 177.140 176.000 -0.019 0.000 2.887 531 Q CA 2.804 58.593 55.803 -0.023 0.000 0.316 531 Q CB -1.660 27.062 28.738 -0.026 0.000 0.508 531 Q HN 2.543 nan 8.270 nan 0.000 0.415 532 A N 0.174 122.981 122.820 -0.021 0.000 2.855 532 A HA 0.527 4.851 4.320 0.007 0.000 0.313 532 A C -0.967 176.605 177.584 -0.021 0.000 1.173 532 A CA -0.081 51.945 52.037 -0.018 0.000 0.753 532 A CB 1.233 20.224 19.000 -0.016 0.000 1.200 532 A HN 0.490 nan 8.150 nan 0.000 0.442 533 C N 1.661 120.950 119.300 -0.019 0.000 2.303 533 C HA 0.709 5.173 4.460 0.007 0.000 0.326 533 C C 1.497 176.480 174.990 -0.013 0.000 1.285 533 C CA 1.265 60.271 59.018 -0.020 0.000 1.675 533 C CB -0.450 27.278 27.740 -0.020 0.000 2.289 533 C HN 2.262 nan 8.230 nan 0.000 0.512 534 G N 4.669 113.458 108.800 -0.018 0.000 2.195 534 G HA2 -0.234 3.730 3.960 0.007 0.000 0.246 534 G HA3 -0.234 3.730 3.960 0.007 0.000 0.246 534 G C 0.402 175.293 174.900 -0.014 0.000 0.984 534 G CA 0.602 45.694 45.100 -0.014 0.000 0.633 534 G HN 0.754 nan 8.290 nan 0.000 0.525 535 L N 0.059 121.274 121.223 -0.013 0.000 2.249 535 L HA 0.361 4.705 4.340 0.007 0.000 0.207 535 L C 1.423 178.281 176.870 -0.019 0.000 1.090 535 L CA 0.420 55.255 54.840 -0.008 0.000 0.802 535 L CB 0.033 42.089 42.059 -0.006 0.000 0.947 535 L HN 0.131 nan 8.230 nan 0.000 0.453 536 V N 0.826 120.723 119.914 -0.028 0.000 2.509 536 V HA 0.279 4.403 4.120 0.007 0.000 0.284 536 V C -0.032 176.030 176.094 -0.054 0.000 1.047 536 V CA -0.338 61.942 62.300 -0.033 0.000 0.952 536 V CB 1.399 33.207 31.823 -0.026 0.000 0.988 536 V HN 0.213 nan 8.190 nan 0.000 0.469 537 K N 3.566 123.929 120.400 -0.062 0.000 2.469 537 K HA 0.594 4.919 4.320 0.007 0.000 0.268 537 K C -1.258 175.297 176.600 -0.075 0.000 1.027 537 K CA -1.004 55.226 56.287 -0.095 0.000 0.893 537 K CB 2.142 34.545 32.500 -0.161 0.000 1.460 537 K HN 0.622 nan 8.250 nan 0.000 0.449 538 N N 1.453 120.099 118.700 -0.091 0.000 2.310 538 N HA 0.307 5.051 4.740 0.007 0.000 0.292 538 N C -0.855 174.603 175.510 -0.087 0.000 1.049 538 N CA -0.615 52.390 53.050 -0.075 0.000 0.849 538 N CB 1.842 40.290 38.487 -0.065 0.000 1.532 538 N HN 0.299 nan 8.380 nan 0.000 0.479 539 L N 0.879 122.059 121.223 -0.072 0.000 2.483 539 L HA 0.104 4.449 4.340 0.007 0.000 0.276 539 L C 0.958 177.775 176.870 -0.088 0.000 1.213 539 L CA 0.038 54.834 54.840 -0.073 0.000 0.843 539 L CB 0.084 42.103 42.059 -0.067 0.000 1.107 539 L HN 0.473 nan 8.230 nan 0.000 0.487 540 S N 3.756 119.392 115.700 -0.108 0.000 4.069 540 S HA 0.293 4.768 4.470 0.007 0.000 0.192 540 S C 1.102 175.632 174.600 -0.117 0.000 1.441 540 S CA -0.468 57.657 58.200 -0.126 0.000 0.994 540 S CB -0.635 62.459 63.200 -0.176 0.000 1.456 540 S HN 0.623 nan 8.310 nan 0.000 0.458 541 L N -0.642 120.541 121.223 -0.066 0.000 3.533 541 L HA -0.449 3.895 4.340 0.007 0.000 0.053 541 L C 2.259 179.112 176.870 -0.028 0.000 4.304 541 L CA 1.721 56.568 54.840 0.011 0.000 0.731 541 L CB -1.451 40.663 42.059 0.093 0.000 3.468 541 L HN 0.389 nan 8.230 nan 0.000 0.716 542 M N 0.904 120.372 119.600 -0.220 0.000 2.143 542 M HA -0.090 4.394 4.480 0.007 0.000 0.258 542 M C 1.449 177.479 176.300 -0.451 0.000 1.071 542 M CA 2.010 56.904 55.300 -0.677 0.000 1.088 542 M CB -1.280 30.963 32.600 -0.594 0.000 1.360 542 M HN 0.752 nan 8.290 nan 0.000 0.404 543 S N -0.217 115.313 115.700 -0.282 0.000 2.562 543 S HA 0.217 4.691 4.470 0.007 0.000 0.281 543 S C 0.106 174.506 174.600 -0.333 0.000 1.333 543 S CA -0.852 57.174 58.200 -0.289 0.000 1.052 543 S CB 0.795 63.878 63.200 -0.196 0.000 0.884 543 S HN 0.433 nan 8.310 nan 0.000 0.506 544 C N 2.496 121.401 119.300 -0.658 0.000 3.028 544 C HA 0.718 5.183 4.460 0.007 0.000 0.338 544 C C -0.153 174.376 174.990 -0.769 0.000 1.366 544 C CA -0.995 57.580 59.018 -0.739 0.000 1.610 544 C CB 0.654 27.816 27.740 -0.963 0.000 2.063 544 C HN 0.924 nan 8.230 nan 0.000 0.463 545 I N 1.470 121.809 120.570 -0.385 0.000 2.509 545 I HA 0.372 4.546 4.170 0.007 0.000 0.293 545 I C 0.657 176.911 176.117 0.228 0.000 1.020 545 I CA 0.197 61.451 61.300 -0.077 0.000 1.088 545 I CB 1.905 39.874 38.000 -0.053 0.000 1.267 545 I HN 0.853 nan 8.210 nan 0.000 0.430 546 S N 4.232 120.129 115.700 0.328 0.000 2.598 546 S HA 0.210 4.684 4.470 0.007 0.000 0.256 546 S C 0.387 175.051 174.600 0.108 0.000 1.350 546 S CA -0.130 58.200 58.200 0.216 0.000 0.984 546 S CB 1.440 64.686 63.200 0.076 0.000 0.930 546 S HN 0.525 nan 8.310 nan 0.000 0.577 547 V N -0.017 119.932 119.914 0.058 0.000 3.245 547 V HA 0.522 4.646 4.120 0.007 0.000 0.246 547 V C 0.695 176.792 176.094 0.005 0.000 1.487 547 V CA 0.786 63.110 62.300 0.039 0.000 1.154 547 V CB 0.253 32.105 31.823 0.049 0.000 0.971 547 V HN 1.773 nan 8.190 nan 0.000 0.443 548 G N 1.384 110.174 108.800 -0.016 0.000 3.353 548 G HA2 -0.043 3.922 3.960 0.007 0.000 0.682 548 G HA3 -0.043 3.922 3.960 0.007 0.000 0.682 548 G C -0.350 174.507 174.900 -0.073 0.000 1.192 548 G CA -0.165 44.916 45.100 -0.031 0.000 1.111 548 G HN 0.335 nan 8.290 nan 0.000 0.493 549 T N 1.334 115.850 114.554 -0.063 0.000 2.793 549 T HA 0.562 4.916 4.350 0.007 0.000 0.299 549 T C 0.098 174.758 174.700 -0.067 0.000 1.038 549 T CA -0.239 61.810 62.100 -0.085 0.000 0.948 549 T CB 1.072 69.900 68.868 -0.066 0.000 1.231 549 T HN 0.590 nan 8.240 nan 0.000 0.538 550 D N 0.418 120.780 120.400 -0.063 0.000 2.256 550 D HA 0.303 4.947 4.640 0.007 0.000 0.240 550 D C -1.768 174.522 176.300 -0.017 0.000 1.062 550 D CA -2.361 51.618 54.000 -0.035 0.000 0.832 550 D CB 1.824 42.602 40.800 -0.037 0.000 1.135 550 D HN -0.003 nan 8.370 nan 0.000 0.484 551 P HA -0.093 nan 4.420 nan 0.000 0.216 551 P C 1.650 178.940 177.300 -0.017 0.000 1.150 551 P CA 1.146 64.250 63.100 0.006 0.000 0.837 551 P CB 0.299 32.025 31.700 0.043 0.000 0.786 552 M N -0.861 118.733 119.600 -0.010 0.000 2.082 552 M HA -0.150 4.334 4.480 0.007 0.000 0.258 552 M C -0.644 175.657 176.300 0.002 0.000 1.071 552 M CA 2.828 58.122 55.300 -0.011 0.000 1.103 552 M CB -2.043 30.558 32.600 0.003 0.000 1.307 552 M HN -0.063 nan 8.290 nan 0.000 0.409 553 P HA -0.182 nan 4.420 nan 0.000 0.217 553 P C 1.153 178.485 177.300 0.054 0.000 1.148 553 P CA 1.514 64.632 63.100 0.031 0.000 0.834 553 P CB -0.328 31.378 31.700 0.009 0.000 0.783 554 I N -2.325 118.254 120.570 0.015 0.000 2.480 554 I HA -0.102 4.072 4.170 0.007 0.000 0.251 554 I C 2.191 178.340 176.117 0.053 0.000 1.124 554 I CA 0.860 62.170 61.300 0.015 0.000 1.444 554 I CB -0.486 37.489 38.000 -0.042 0.000 1.098 554 I HN -0.156 nan 8.210 nan 0.000 0.428 555 I N 0.690 121.245 120.570 -0.025 0.000 2.315 555 I HA -0.223 3.951 4.170 0.007 0.000 0.248 555 I C 2.530 178.652 176.117 0.008 0.000 1.117 555 I CA 1.349 62.595 61.300 -0.089 0.000 1.404 555 I CB -0.599 37.252 38.000 -0.249 0.000 1.071 555 I HN 0.194 nan 8.210 nan 0.000 0.419 556 T N 0.974 115.555 114.554 0.045 0.000 2.652 556 T HA -0.237 4.117 4.350 0.007 0.000 0.267 556 T C 1.722 176.497 174.700 0.124 0.000 1.039 556 T CA 1.712 63.855 62.100 0.071 0.000 1.153 556 T CB -0.485 68.427 68.868 0.074 0.000 0.863 556 T HN 0.312 nan 8.240 nan 0.000 0.428 557 F N 1.379 121.352 119.950 0.039 0.000 2.095 557 F HA -0.066 4.466 4.527 0.007 0.000 0.298 557 F C 2.014 177.892 175.800 0.131 0.000 1.104 557 F CA 1.103 59.161 58.000 0.096 0.000 1.232 557 F CB -0.369 38.661 39.000 0.050 0.000 0.987 557 F HN 0.039 nan 8.300 nan 0.000 0.475 558 L N 0.089 121.519 121.223 0.346 0.000 2.013 558 L HA -0.314 4.030 4.340 0.007 0.000 0.212 558 L C 2.822 179.773 176.870 0.136 0.000 1.073 558 L CA 1.881 56.874 54.840 0.255 0.000 0.753 558 L CB -0.913 41.237 42.059 0.152 0.000 0.890 558 L HN 0.373 nan 8.230 nan 0.000 0.432 559 S N -1.115 114.624 115.700 0.066 0.000 2.402 559 S HA -0.189 4.285 4.470 0.007 0.000 0.229 559 S C 1.714 176.293 174.600 -0.035 0.000 1.021 559 S CA 1.081 59.292 58.200 0.018 0.000 0.974 559 S CB -0.352 62.852 63.200 0.006 0.000 0.800 559 S HN 0.474 nan 8.310 nan 0.000 0.484 560 E N -0.298 119.855 120.200 -0.078 0.000 2.150 560 E HA -0.060 4.294 4.350 0.007 0.000 0.193 560 E C 0.296 176.712 176.600 -0.306 0.000 0.985 560 E CA 0.863 57.144 56.400 -0.198 0.000 0.814 560 E CB -0.091 29.476 29.700 -0.222 0.000 0.752 560 E HN 0.745 nan 8.360 nan 0.000 0.466 561 W N 0.004 121.123 121.300 -0.302 0.000 2.937 561 W HA 0.305 4.969 4.660 0.007 0.000 0.435 561 W C 0.677 177.238 176.519 0.071 0.000 0.912 561 W CA 0.423 57.652 57.345 -0.192 0.000 2.209 561 W CB 1.131 30.390 29.460 -0.336 0.000 1.144 561 W HN 0.111 nan 8.180 nan 0.000 0.762 562 G N 0.547 109.446 108.800 0.164 0.000 2.183 562 G HA2 -0.237 3.728 3.960 0.007 0.000 0.168 562 G HA3 -0.237 3.728 3.960 0.007 0.000 0.168 562 G C 0.014 174.891 174.900 -0.038 0.000 1.008 562 G CA -0.356 44.801 45.100 0.094 0.000 0.677 562 G HN 0.170 nan 8.290 nan 0.000 0.498 563 M N 1.840 121.524 119.600 0.141 0.000 2.146 563 M HA 0.584 5.068 4.480 0.007 0.000 0.357 563 M C -0.059 176.224 176.300 -0.028 0.000 1.261 563 M CA -0.264 55.089 55.300 0.089 0.000 1.106 563 M CB 0.516 33.193 32.600 0.128 0.000 1.612 563 M HN 0.158 nan 8.290 nan 0.000 0.470 564 E N 6.645 126.800 120.200 -0.076 0.000 2.249 564 E HA 0.387 4.742 4.350 0.007 0.000 0.280 564 E C -2.368 174.175 176.600 -0.095 0.000 1.016 564 E CA -1.861 54.490 56.400 -0.082 0.000 0.830 564 E CB 0.721 30.370 29.700 -0.084 0.000 1.081 564 E HN 0.521 nan 8.360 nan 0.000 0.395 565 P HA -0.047 nan 4.420 nan 0.000 0.271 565 P C 0.515 177.712 177.300 -0.171 0.000 1.233 565 P CA -0.255 62.799 63.100 -0.077 0.000 0.789 565 P CB 0.843 32.527 31.700 -0.027 0.000 0.951 566 L N 0.971 122.058 121.223 -0.226 0.000 2.362 566 L HA -0.131 4.213 4.340 0.007 0.000 0.219 566 L C 2.106 178.857 176.870 -0.200 0.000 1.134 566 L CA 1.673 56.255 54.840 -0.430 0.000 0.807 566 L CB -0.961 40.823 42.059 -0.458 0.000 0.927 566 L HN 0.256 nan 8.230 nan 0.000 0.447 567 E N -0.481 119.689 120.200 -0.051 0.000 2.072 567 E HA -0.111 4.243 4.350 0.007 0.000 0.191 567 E C 0.285 176.925 176.600 0.067 0.000 0.985 567 E CA 0.963 57.386 56.400 0.039 0.000 0.801 567 E CB -0.380 29.309 29.700 -0.019 0.000 0.750 567 E HN 0.552 nan 8.360 nan 0.000 0.452 568 D N 0.373 120.778 120.400 0.009 0.000 3.163 568 D HA 0.036 4.681 4.640 0.007 0.000 0.284 568 D C -0.703 175.616 176.300 0.031 0.000 1.368 568 D CA -0.333 53.679 54.000 0.020 0.000 0.895 568 D CB -0.458 40.338 40.800 -0.007 0.000 1.061 568 D HN 0.048 nan 8.370 nan 0.000 0.496 569 Y N 1.842 122.048 120.300 -0.156 0.000 2.367 569 Y HA 0.261 4.816 4.550 0.007 0.000 0.342 569 Y C -0.073 175.786 175.900 -0.069 0.000 0.979 569 Y CA -1.413 56.543 58.100 -0.239 0.000 1.161 569 Y CB 0.948 39.038 38.460 -0.617 0.000 1.155 569 Y HN -0.104 nan 8.280 nan 0.000 0.503 570 V N 8.120 127.789 119.914 -0.409 0.000 2.258 570 V HA 0.306 4.430 4.120 0.007 0.000 0.258 570 V C -1.887 173.839 176.094 -0.614 0.000 1.121 570 V CA -1.705 60.390 62.300 -0.341 0.000 0.942 570 V CB 0.642 32.382 31.823 -0.138 0.000 1.170 570 V HN 0.690 nan 8.190 nan 0.000 0.487 571 P HA -0.222 nan 4.420 nan 0.000 0.217 571 P C 1.053 178.278 177.300 -0.125 0.000 1.148 571 P CA 2.005 64.728 63.100 -0.629 0.000 0.828 571 P CB 0.024 31.688 31.700 -0.060 0.000 0.783 572 H N -1.431 117.532 119.070 -0.178 0.000 2.586 572 H HA 0.223 4.783 4.556 0.007 0.000 0.273 572 H C 1.082 176.363 175.328 -0.078 0.000 0.997 572 H CA 0.042 56.047 56.048 -0.071 0.000 1.177 572 H CB -0.420 29.320 29.762 -0.036 0.000 1.471 572 H HN 0.168 nan 8.280 nan 0.000 0.538 573 Q N 1.221 120.787 119.800 -0.389 0.000 2.237 573 Q HA 0.290 4.634 4.340 0.007 0.000 0.252 573 Q C -0.849 175.036 176.000 -0.192 0.000 0.877 573 Q CA -0.326 55.246 55.803 -0.385 0.000 1.011 573 Q CB 0.454 28.994 28.738 -0.330 0.000 1.118 573 Q HN 0.252 nan 8.270 nan 0.000 0.458 574 S N -0.029 115.595 115.700 -0.125 0.000 2.325 574 S HA 0.177 4.651 4.470 0.007 0.000 0.228 574 S C -2.484 172.132 174.600 0.026 0.000 0.942 574 S CA -0.745 57.438 58.200 -0.029 0.000 1.070 574 S CB 1.336 64.561 63.200 0.042 0.000 1.232 574 S HN 0.209 nan 8.310 nan 0.000 0.405 575 P HA 0.107 nan 4.420 nan 0.000 0.215 575 P C 0.263 177.598 177.300 0.058 0.000 1.160 575 P CA 0.840 63.967 63.100 0.045 0.000 0.869 575 P CB 0.087 31.803 31.700 0.027 0.000 0.782 576 D N -0.518 119.909 120.400 0.044 0.000 2.344 576 D HA 0.222 4.866 4.640 0.007 0.000 0.242 576 D C 0.103 176.435 176.300 0.053 0.000 1.159 576 D CA -0.028 54.000 54.000 0.047 0.000 0.859 576 D CB -0.560 40.263 40.800 0.038 0.000 0.925 576 D HN 0.109 nan 8.370 nan 0.000 0.510 577 A N 0.501 123.360 122.820 0.065 0.000 2.396 577 A HA 0.337 4.661 4.320 0.007 0.000 0.279 577 A C 0.471 178.073 177.584 0.029 0.000 1.165 577 A CA -0.150 51.925 52.037 0.064 0.000 0.824 577 A CB 0.258 19.341 19.000 0.139 0.000 1.100 577 A HN 0.063 nan 8.150 nan 0.000 0.516 578 T N 3.899 118.466 114.554 0.022 0.000 2.767 578 T HA 0.427 4.782 4.350 0.007 0.000 0.288 578 T C 0.565 175.226 174.700 -0.065 0.000 0.963 578 T CA -0.460 61.634 62.100 -0.010 0.000 1.019 578 T CB 0.477 69.355 68.868 0.017 0.000 0.923 578 T HN 0.810 nan 8.240 nan 0.000 0.468 579 R N 1.394 121.805 120.500 -0.148 0.000 2.615 579 R HA 0.636 4.980 4.340 0.007 0.000 0.270 579 R C -1.191 174.940 176.300 -0.282 0.000 1.081 579 R CA -0.703 55.270 56.100 -0.213 0.000 1.154 579 R CB 0.432 30.475 30.300 -0.429 0.000 1.063 579 R HN 0.306 nan 8.270 nan 0.000 0.519 580 V N 3.019 122.790 119.914 -0.238 0.000 2.443 580 V HA 0.364 4.489 4.120 0.007 0.000 0.293 580 V C -0.862 175.098 176.094 -0.224 0.000 1.021 580 V CA -0.619 61.567 62.300 -0.190 0.000 0.848 580 V CB 0.945 32.757 31.823 -0.019 0.000 0.998 580 V HN 0.607 nan 8.190 nan 0.000 0.424 581 F N 3.223 123.149 119.950 -0.041 0.000 2.432 581 F HA 0.738 5.269 4.527 0.007 0.000 0.329 581 F C 0.147 175.944 175.800 -0.005 0.000 1.076 581 F CA -0.898 57.087 58.000 -0.024 0.000 1.018 581 F CB 2.070 40.949 39.000 -0.201 0.000 1.201 581 F HN 0.168 nan 8.300 nan 0.000 0.489 582 V N 2.774 122.897 119.914 0.349 0.000 2.509 582 V HA 0.258 4.382 4.120 0.007 0.000 0.289 582 V C -0.659 175.581 176.094 0.243 0.000 1.026 582 V CA -1.074 61.354 62.300 0.213 0.000 0.872 582 V CB 1.131 33.075 31.823 0.203 0.000 1.017 582 V HN 0.877 nan 8.190 nan 0.000 0.436 583 N N 3.646 122.432 118.700 0.143 0.000 2.776 583 N HA -0.179 4.566 4.740 0.007 0.000 0.249 583 N C 1.175 176.840 175.510 0.258 0.000 1.111 583 N CA 1.879 55.089 53.050 0.267 0.000 0.711 583 N CB -1.157 37.471 38.487 0.234 0.000 1.065 583 N HN 1.580 nan 8.380 nan 0.000 0.556 584 G N -2.723 106.187 108.800 0.184 0.000 2.189 584 G HA2 -0.326 3.638 3.960 0.007 0.000 0.267 584 G HA3 -0.326 3.638 3.960 0.007 0.000 0.267 584 G C 0.105 175.224 174.900 0.366 0.000 0.975 584 G CA 0.529 45.707 45.100 0.129 0.000 0.644 584 G HN 0.551 nan 8.290 nan 0.000 0.537 585 V N 0.397 120.567 119.914 0.427 0.000 2.481 585 V HA 0.579 4.703 4.120 0.007 0.000 0.286 585 V C 0.234 176.642 176.094 0.522 0.000 1.042 585 V CA -0.884 61.665 62.300 0.416 0.000 0.928 585 V CB 1.579 33.464 31.823 0.103 0.000 0.986 585 V HN 0.301 nan 8.190 nan 0.000 0.462 586 W N 4.771 126.284 121.300 0.355 0.000 2.387 586 W HA 0.387 5.051 4.660 0.007 0.000 0.310 586 W C 0.852 177.296 176.519 -0.125 0.000 1.181 586 W CA -0.610 56.824 57.345 0.147 0.000 1.333 586 W CB 0.143 29.726 29.460 0.206 0.000 1.286 586 W HN 0.673 nan 8.180 nan 0.000 0.455 587 H N 3.133 122.350 119.070 0.246 0.000 2.648 587 H HA 0.300 4.860 4.556 0.007 0.000 0.265 587 H C 1.124 176.359 175.328 -0.154 0.000 0.961 587 H CA 1.104 57.174 56.048 0.036 0.000 1.185 587 H CB 0.851 30.662 29.762 0.081 0.000 1.449 587 H HN 0.545 nan 8.280 nan 0.000 0.523 588 G N 0.073 108.731 108.800 -0.238 0.000 2.340 588 G HA2 0.061 4.026 3.960 0.007 0.000 0.282 588 G HA3 0.061 4.026 3.960 0.007 0.000 0.282 588 G C -1.661 173.085 174.900 -0.257 0.000 1.312 588 G CA -0.424 44.425 45.100 -0.419 0.000 0.942 588 G HN 0.055 nan 8.290 nan 0.000 0.495 589 V N 0.056 119.789 119.914 -0.302 0.000 2.815 589 V HA 0.792 4.916 4.120 0.007 0.000 0.314 589 V C -0.159 175.897 176.094 -0.064 0.000 1.064 589 V CA -0.609 61.548 62.300 -0.238 0.000 0.952 589 V CB 1.838 33.372 31.823 -0.481 0.000 1.020 589 V HN 1.073 nan 8.190 nan 0.000 0.439 590 H N 1.735 120.750 119.070 -0.090 0.000 2.797 590 H HA 0.577 5.138 4.556 0.007 0.000 0.372 590 H C 0.698 176.015 175.328 -0.019 0.000 1.168 590 H CA -0.744 55.283 56.048 -0.036 0.000 1.163 590 H CB 1.902 31.659 29.762 -0.009 0.000 1.778 590 H HN 0.506 nan 8.280 nan 0.000 0.551 591 R N 1.373 121.766 120.500 -0.179 0.000 2.039 591 R HA 0.049 4.394 4.340 0.007 0.000 0.218 591 R C 0.117 176.517 176.300 0.166 0.000 1.220 591 R CA 0.223 56.313 56.100 -0.016 0.000 0.993 591 R CB -0.183 30.045 30.300 -0.121 0.000 0.881 591 R HN 0.527 nan 8.270 nan 0.000 0.450 592 N N 2.343 121.213 118.700 0.284 0.000 2.707 592 N HA 0.133 4.878 4.740 0.007 0.000 0.235 592 N C -2.002 173.658 175.510 0.250 0.000 1.028 592 N CA -1.509 51.686 53.050 0.241 0.000 0.906 592 N CB 1.474 40.054 38.487 0.154 0.000 1.131 592 N HN -0.027 nan 8.380 nan 0.000 0.509 593 P HA -0.044 nan 4.420 nan 0.000 0.218 593 P C 1.173 178.429 177.300 -0.074 0.000 1.152 593 P CA 0.630 63.663 63.100 -0.113 0.000 0.826 593 P CB 0.226 31.893 31.700 -0.054 0.000 0.790 594 A N 0.597 123.413 122.820 -0.007 0.000 2.042 594 A HA -0.223 4.101 4.320 0.007 0.000 0.222 594 A C 2.383 179.963 177.584 -0.006 0.000 1.167 594 A CA 1.553 53.587 52.037 -0.004 0.000 0.649 594 A CB -1.035 17.974 19.000 0.015 0.000 0.809 594 A HN 0.132 nan 8.150 nan 0.000 0.457 595 R N -1.743 118.765 120.500 0.013 0.000 2.090 595 R HA 0.074 4.418 4.340 0.007 0.000 0.219 595 R C 2.077 178.374 176.300 -0.004 0.000 1.100 595 R CA 0.959 57.077 56.100 0.030 0.000 0.991 595 R CB -0.477 29.881 30.300 0.097 0.000 0.893 595 R HN 0.493 nan 8.270 nan 0.000 0.443 596 L N 0.884 122.082 121.223 -0.043 0.000 2.187 596 L HA -0.140 4.204 4.340 0.007 0.000 0.213 596 L C 2.117 178.926 176.870 -0.103 0.000 1.100 596 L CA 1.581 56.370 54.840 -0.085 0.000 0.765 596 L CB -0.267 41.610 42.059 -0.303 0.000 0.904 596 L HN 0.090 nan 8.230 nan 0.000 0.437 597 M N -0.165 119.376 119.600 -0.097 0.000 2.077 597 M HA -0.163 4.321 4.480 0.007 0.000 0.261 597 M C 2.269 178.517 176.300 -0.088 0.000 1.070 597 M CA 1.949 57.198 55.300 -0.085 0.000 1.125 597 M CB -0.542 32.023 32.600 -0.058 0.000 1.339 597 M HN 0.440 nan 8.290 nan 0.000 0.409 598 E N -1.716 118.439 120.200 -0.074 0.000 2.152 598 E HA -0.143 4.211 4.350 0.007 0.000 0.192 598 E C 1.519 178.047 176.600 -0.120 0.000 0.983 598 E CA 1.467 57.820 56.400 -0.078 0.000 0.818 598 E CB 0.051 29.720 29.700 -0.052 0.000 0.758 598 E HN 0.491 nan 8.360 nan 0.000 0.467 599 T N 0.869 115.330 114.554 -0.155 0.000 2.788 599 T HA -0.102 4.252 4.350 0.007 0.000 0.268 599 T C 1.703 176.235 174.700 -0.281 0.000 1.044 599 T CA 0.738 62.682 62.100 -0.261 0.000 1.139 599 T CB -0.046 68.569 68.868 -0.421 0.000 0.867 599 T HN 0.157 nan 8.240 nan 0.000 0.454 600 L N -0.245 120.834 121.223 -0.240 0.000 2.240 600 L HA 0.075 4.420 4.340 0.007 0.000 0.211 600 L C 2.753 179.492 176.870 -0.219 0.000 1.106 600 L CA 0.906 55.573 54.840 -0.288 0.000 0.793 600 L CB -0.124 41.803 42.059 -0.221 0.000 0.927 600 L HN 0.114 nan 8.230 nan 0.000 0.446 601 R N -0.787 119.621 120.500 -0.153 0.000 2.060 601 R HA -0.093 4.251 4.340 0.007 0.000 0.225 601 R C 2.065 178.294 176.300 -0.119 0.000 1.155 601 R CA 1.924 57.958 56.100 -0.110 0.000 0.930 601 R CB -0.494 29.765 30.300 -0.069 0.000 0.829 601 R HN 0.193 nan 8.270 nan 0.000 0.433 602 T N 2.000 116.485 114.554 -0.116 0.000 2.996 602 T HA -0.098 4.256 4.350 0.007 0.000 0.271 602 T C 1.485 176.107 174.700 -0.129 0.000 1.126 602 T CA 0.615 62.651 62.100 -0.107 0.000 1.103 602 T CB -0.010 68.802 68.868 -0.093 0.000 0.870 602 T HN 0.069 nan 8.240 nan 0.000 0.528 603 L N 1.185 122.303 121.223 -0.175 0.000 2.127 603 L HA 0.120 4.464 4.340 0.007 0.000 0.203 603 L C 2.693 179.452 176.870 -0.186 0.000 1.080 603 L CA 1.366 56.082 54.840 -0.207 0.000 0.768 603 L CB -0.628 41.228 42.059 -0.338 0.000 0.924 603 L HN 0.216 nan 8.230 nan 0.000 0.444 604 R N 0.316 120.706 120.500 -0.182 0.000 2.115 604 R HA -0.130 4.215 4.340 0.007 0.000 0.226 604 R C 1.998 178.219 176.300 -0.131 0.000 1.100 604 R CA 0.904 56.913 56.100 -0.152 0.000 0.980 604 R CB -0.084 30.135 30.300 -0.135 0.000 0.875 604 R HN 0.327 nan 8.270 nan 0.000 0.445 605 R N 0.146 120.573 120.500 -0.122 0.000 2.193 605 R HA 0.027 4.371 4.340 0.007 0.000 0.213 605 R C 2.087 178.318 176.300 -0.116 0.000 1.055 605 R CA 0.769 56.799 56.100 -0.117 0.000 0.995 605 R CB -0.029 30.213 30.300 -0.096 0.000 0.893 605 R HN 0.134 nan 8.270 nan 0.000 0.459 606 K N -0.292 120.045 120.400 -0.105 0.000 2.418 606 K HA -0.023 4.302 4.320 0.007 0.000 0.195 606 K C 0.689 177.235 176.600 -0.089 0.000 1.035 606 K CA 0.823 57.057 56.287 -0.088 0.000 1.003 606 K CB 0.469 32.926 32.500 -0.072 0.000 0.793 606 K HN 0.370 nan 8.250 nan 0.000 0.494 607 G N 0.980 109.719 108.800 -0.102 0.000 2.179 607 G HA2 -0.204 3.760 3.960 0.007 0.000 0.220 607 G HA3 -0.204 3.760 3.960 0.007 0.000 0.220 607 G C 0.418 175.270 174.900 -0.079 0.000 0.990 607 G CA 0.330 45.373 45.100 -0.094 0.000 0.646 607 G HN 0.345 nan 8.290 nan 0.000 0.517 608 D N 0.315 120.664 120.400 -0.084 0.000 2.117 608 D HA 0.032 4.676 4.640 0.007 0.000 0.198 608 D C 1.707 177.954 176.300 -0.090 0.000 0.982 608 D CA 1.025 54.980 54.000 -0.075 0.000 0.828 608 D CB 0.279 41.035 40.800 -0.074 0.000 0.967 608 D HN 0.572 nan 8.370 nan 0.000 0.464 609 I N 0.758 121.252 120.570 -0.127 0.000 2.970 609 I HA 0.055 4.230 4.170 0.007 0.000 0.310 609 I C 0.835 176.892 176.117 -0.099 0.000 1.010 609 I CA -0.795 60.428 61.300 -0.129 0.000 1.228 609 I CB 0.482 38.374 38.000 -0.179 0.000 1.433 609 I HN -0.202 nan 8.210 nan 0.000 0.573 610 N N 3.378 122.027 118.700 -0.085 0.000 2.475 610 N HA 0.119 4.863 4.740 0.007 0.000 0.267 610 N C -1.971 173.496 175.510 -0.072 0.000 1.169 610 N CA -1.406 51.604 53.050 -0.066 0.000 0.947 610 N CB 1.381 39.834 38.487 -0.057 0.000 1.061 610 N HN 0.255 nan 8.380 nan 0.000 0.466 611 P HA -0.014 nan 4.420 nan 0.000 0.236 611 P C 0.415 177.695 177.300 -0.033 0.000 1.172 611 P CA 0.840 63.894 63.100 -0.077 0.000 0.759 611 P CB 0.288 31.907 31.700 -0.134 0.000 0.843 612 E N -0.789 119.375 120.200 -0.060 0.000 2.447 612 E HA 0.043 4.397 4.350 0.007 0.000 0.195 612 E C -0.099 176.416 176.600 -0.142 0.000 1.028 612 E CA -0.002 56.294 56.400 -0.173 0.000 0.876 612 E CB 0.325 29.947 29.700 -0.131 0.000 0.885 612 E HN -0.020 nan 8.360 nan 0.000 0.500 613 V N 2.389 122.254 119.914 -0.082 0.000 2.470 613 V HA 0.028 4.152 4.120 0.007 0.000 0.276 613 V C 0.217 176.295 176.094 -0.026 0.000 1.040 613 V CA -0.221 62.051 62.300 -0.045 0.000 1.008 613 V CB 1.008 32.798 31.823 -0.056 0.000 0.990 613 V HN 0.155 nan 8.190 nan 0.000 0.477 614 S N 6.637 122.354 115.700 0.028 0.000 2.462 614 S HA 0.824 5.298 4.470 0.007 0.000 0.294 614 S C -0.749 173.891 174.600 0.067 0.000 1.144 614 S CA -0.807 57.430 58.200 0.060 0.000 1.088 614 S CB 1.026 64.293 63.200 0.111 0.000 1.009 614 S HN 0.590 nan 8.310 nan 0.000 0.484 615 M N 3.449 123.068 119.600 0.032 0.000 2.263 615 M HA 0.513 4.997 4.480 0.007 0.000 0.295 615 M C -1.682 174.627 176.300 0.014 0.000 1.028 615 M CA -0.452 54.847 55.300 -0.002 0.000 0.921 615 M CB 1.872 34.450 32.600 -0.037 0.000 1.601 615 M HN 0.531 nan 8.290 nan 0.000 0.440 616 I N 2.469 123.042 120.570 0.004 0.000 2.436 616 I HA 0.464 4.639 4.170 0.007 0.000 0.289 616 I C -0.286 175.834 176.117 0.005 0.000 1.010 616 I CA -0.422 60.893 61.300 0.024 0.000 1.098 616 I CB 1.925 39.956 38.000 0.051 0.000 1.266 616 I HN 0.625 nan 8.210 nan 0.000 0.434 617 R N 4.011 124.518 120.500 0.012 0.000 2.215 617 R HA 0.248 4.592 4.340 0.007 0.000 0.337 617 R C -0.842 175.470 176.300 0.021 0.000 1.010 617 R CA -0.525 55.578 56.100 0.005 0.000 0.871 617 R CB 0.516 30.814 30.300 -0.002 0.000 1.134 617 R HN 0.543 nan 8.270 nan 0.000 0.477 618 D N 5.509 125.923 120.400 0.022 0.000 2.402 618 D HA 0.050 4.694 4.640 0.007 0.000 0.235 618 D C 1.177 177.494 176.300 0.028 0.000 1.226 618 D CA -0.109 53.910 54.000 0.032 0.000 0.918 618 D CB 0.505 41.329 40.800 0.041 0.000 1.043 618 D HN 0.599 nan 8.370 nan 0.000 0.506 619 I N 2.504 123.091 120.570 0.028 0.000 2.142 619 I HA -0.195 3.979 4.170 0.007 0.000 0.240 619 I C 1.866 178.000 176.117 0.029 0.000 1.078 619 I CA 0.945 62.261 61.300 0.025 0.000 1.343 619 I CB 0.134 38.148 38.000 0.024 0.000 1.046 619 I HN 0.211 nan 8.210 nan 0.000 0.405 620 R N 0.042 120.560 120.500 0.031 0.000 2.547 620 R HA 0.010 4.354 4.340 0.007 0.000 0.258 620 R C 0.680 177.003 176.300 0.038 0.000 1.115 620 R CA 0.171 56.291 56.100 0.033 0.000 1.152 620 R CB 0.123 30.440 30.300 0.029 0.000 1.221 620 R HN 0.133 nan 8.270 nan 0.000 0.539 621 E N 0.005 120.231 120.200 0.042 0.000 2.702 621 E HA 0.104 4.458 4.350 0.007 0.000 0.225 621 E C -0.606 176.027 176.600 0.055 0.000 0.942 621 E CA -0.071 56.360 56.400 0.053 0.000 1.210 621 E CB 0.417 30.151 29.700 0.057 0.000 1.143 621 E HN -0.007 nan 8.360 nan 0.000 0.544 622 K N 1.052 121.475 120.400 0.038 0.000 3.096 622 K HA -0.211 4.114 4.320 0.007 0.000 0.266 622 K C -0.791 175.804 176.600 -0.008 0.000 1.043 622 K CA 0.978 57.278 56.287 0.023 0.000 0.758 622 K CB -1.005 31.516 32.500 0.036 0.000 1.260 622 K HN 0.254 nan 8.250 nan 0.000 0.481 623 E N 0.204 120.404 120.200 -0.001 0.000 2.244 623 E HA 0.490 4.845 4.350 0.007 0.000 0.266 623 E C -1.047 175.538 176.600 -0.024 0.000 0.914 623 E CA -1.104 55.282 56.400 -0.024 0.000 0.794 623 E CB 1.671 31.405 29.700 0.056 0.000 1.210 623 E HN 0.105 nan 8.360 nan 0.000 0.414 624 L N 2.735 123.925 121.223 -0.056 0.000 2.442 624 L HA 0.287 4.631 4.340 0.007 0.000 0.261 624 L C -1.247 175.601 176.870 -0.036 0.000 1.000 624 L CA -0.531 54.281 54.840 -0.047 0.000 0.882 624 L CB 0.666 42.685 42.059 -0.067 0.000 1.207 624 L HN 0.232 nan 8.230 nan 0.000 0.443 625 K N 6.119 126.491 120.400 -0.046 0.000 2.297 625 K HA 0.461 4.786 4.320 0.007 0.000 0.286 625 K C -0.731 175.714 176.600 -0.258 0.000 1.053 625 K CA -0.191 55.987 56.287 -0.181 0.000 0.940 625 K CB 1.641 33.973 32.500 -0.279 0.000 1.019 625 K HN 0.581 nan 8.250 nan 0.000 0.475 626 I N 4.221 124.610 120.570 -0.301 0.000 2.382 626 I HA 0.299 4.474 4.170 0.007 0.000 0.286 626 I C -0.604 175.348 176.117 -0.275 0.000 1.002 626 I CA -0.704 60.470 61.300 -0.210 0.000 1.135 626 I CB 0.781 38.731 38.000 -0.084 0.000 1.288 626 I HN 0.372 nan 8.210 nan 0.000 0.448 627 F N 4.018 123.981 119.950 0.021 0.000 2.444 627 F HA 0.306 4.837 4.527 0.007 0.000 0.342 627 F C 1.134 176.929 175.800 -0.009 0.000 1.121 627 F CA -0.317 57.689 58.000 0.010 0.000 0.997 627 F CB 2.061 41.058 39.000 -0.005 0.000 1.130 627 F HN 0.318 nan 8.300 nan 0.000 0.454 628 T N 0.890 115.573 114.554 0.215 0.000 3.084 628 T HA 0.010 4.364 4.350 0.007 0.000 0.270 628 T C 0.134 174.880 174.700 0.076 0.000 1.008 628 T CA -0.200 61.958 62.100 0.097 0.000 0.900 628 T CB -0.390 68.511 68.868 0.054 0.000 1.084 628 T HN 0.470 nan 8.240 nan 0.000 0.538 629 D N 2.150 122.614 120.400 0.105 0.000 2.429 629 D HA 0.131 4.775 4.640 0.007 0.000 0.233 629 D C 0.014 176.312 176.300 -0.004 0.000 1.202 629 D CA 0.389 54.407 54.000 0.030 0.000 0.879 629 D CB 0.677 41.442 40.800 -0.058 0.000 1.212 629 D HN 0.308 nan 8.370 nan 0.000 0.465 630 A N 0.952 123.766 122.820 -0.011 0.000 2.277 630 A HA 0.594 4.918 4.320 0.007 0.000 0.318 630 A C 0.718 178.288 177.584 -0.023 0.000 1.339 630 A CA 0.299 52.333 52.037 -0.006 0.000 0.875 630 A CB 0.837 19.842 19.000 0.009 0.000 1.158 630 A HN 0.604 nan 8.150 nan 0.000 0.514 631 G N 2.090 110.873 108.800 -0.028 0.000 2.507 631 G HA2 -0.091 3.873 3.960 0.007 0.000 0.205 631 G HA3 -0.091 3.873 3.960 0.007 0.000 0.205 631 G C 0.106 174.950 174.900 -0.093 0.000 0.996 631 G CA -0.759 44.308 45.100 -0.055 0.000 0.776 631 G HN 0.711 nan 8.290 nan 0.000 0.532 632 R N 0.793 121.255 120.500 -0.063 0.000 2.298 632 R HA 0.489 4.833 4.340 0.007 0.000 0.310 632 R C 0.321 176.629 176.300 0.014 0.000 1.068 632 R CA -0.321 55.733 56.100 -0.076 0.000 0.957 632 R CB 1.623 31.894 30.300 -0.048 0.000 1.003 632 R HN 0.075 nan 8.270 nan 0.000 0.454 633 V N 4.925 124.790 119.914 -0.082 0.000 2.583 633 V HA 0.236 4.361 4.120 0.007 0.000 0.287 633 V C -0.303 175.841 176.094 0.083 0.000 1.051 633 V CA -0.322 61.953 62.300 -0.042 0.000 1.010 633 V CB -0.031 31.767 31.823 -0.043 0.000 0.988 633 V HN 0.725 nan 8.190 nan 0.000 0.478 634 Y N 3.057 123.326 120.300 -0.053 0.000 2.615 634 Y HA 0.914 5.468 4.550 0.007 0.000 0.341 634 Y C -0.525 175.327 175.900 -0.080 0.000 1.089 634 Y CA -1.713 56.361 58.100 -0.044 0.000 1.049 634 Y CB 1.700 40.130 38.460 -0.050 0.000 1.296 634 Y HN 0.702 nan 8.280 nan 0.000 0.470 635 R N 0.193 120.756 120.500 0.106 0.000 2.774 635 R HA 0.757 5.101 4.340 0.007 0.000 0.272 635 R C -3.528 172.866 176.300 0.156 0.000 1.000 635 R CA -2.136 53.956 56.100 -0.014 0.000 0.906 635 R CB 2.373 32.628 30.300 -0.075 0.000 1.227 635 R HN 0.412 nan 8.270 nan 0.000 0.468 636 P HA 0.428 nan 4.420 nan 0.000 0.288 636 P C -0.978 176.338 177.300 0.026 0.000 1.267 636 P CA -0.629 62.639 63.100 0.280 0.000 0.815 636 P CB 1.057 33.006 31.700 0.415 0.000 0.989 637 L N 1.740 122.977 121.223 0.023 0.000 2.424 637 L HA 0.503 4.848 4.340 0.007 0.000 0.258 637 L C -0.127 176.730 176.870 -0.022 0.000 0.995 637 L CA -0.957 53.844 54.840 -0.065 0.000 0.821 637 L CB 1.621 43.698 42.059 0.031 0.000 1.383 637 L HN 0.256 nan 8.230 nan 0.000 0.410 638 F N 1.837 121.839 119.950 0.087 0.000 2.484 638 F HA 0.276 4.807 4.527 0.007 0.000 0.360 638 F C 0.652 176.486 175.800 0.057 0.000 1.101 638 F CA -0.204 57.820 58.000 0.041 0.000 1.251 638 F CB 0.676 39.675 39.000 -0.000 0.000 1.132 638 F HN 0.167 nan 8.300 nan 0.000 0.570 639 I N 3.149 123.846 120.570 0.211 0.000 2.532 639 I HA 0.118 4.292 4.170 0.007 0.000 0.292 639 I C 0.387 176.497 176.117 -0.011 0.000 1.014 639 I CA -0.204 61.124 61.300 0.046 0.000 1.340 639 I CB 1.558 39.560 38.000 0.003 0.000 1.422 639 I HN 0.445 nan 8.210 nan 0.000 0.528 640 V N 2.347 122.210 119.914 -0.085 0.000 3.502 640 V HA 0.086 4.210 4.120 0.007 0.000 0.288 640 V C 0.442 176.498 176.094 -0.064 0.000 1.461 640 V CA -0.196 62.068 62.300 -0.060 0.000 1.029 640 V CB -0.275 31.529 31.823 -0.032 0.000 0.843 640 V HN 0.642 nan 8.190 nan 0.000 0.438 641 E N 3.238 123.391 120.200 -0.078 0.000 3.197 641 E HA -0.164 4.191 4.350 0.007 0.000 0.251 641 E C 0.844 177.411 176.600 -0.054 0.000 0.912 641 E CA 0.680 57.043 56.400 -0.062 0.000 0.960 641 E CB 0.309 29.973 29.700 -0.060 0.000 0.897 641 E HN 0.662 nan 8.360 nan 0.000 0.550 642 D N 2.476 122.849 120.400 -0.045 0.000 2.379 642 D HA -0.154 4.491 4.640 0.007 0.000 0.243 642 D C -0.105 176.169 176.300 -0.044 0.000 1.088 642 D CA 0.118 54.087 54.000 -0.051 0.000 0.925 642 D CB -0.107 40.677 40.800 -0.027 0.000 0.888 642 D HN 0.221 nan 8.370 nan 0.000 0.529 643 D N 1.024 121.402 120.400 -0.037 0.000 2.400 643 D HA -0.055 4.589 4.640 0.007 0.000 0.242 643 D C 0.244 176.533 176.300 -0.019 0.000 1.077 643 D CA 0.325 54.311 54.000 -0.024 0.000 0.943 643 D CB -0.216 40.572 40.800 -0.020 0.000 0.882 643 D HN 0.355 nan 8.370 nan 0.000 0.529 644 E N 0.320 120.502 120.200 -0.028 0.000 2.493 644 E HA -0.046 4.308 4.350 0.007 0.000 0.255 644 E C 1.092 177.696 176.600 0.007 0.000 0.999 644 E CA 0.024 56.416 56.400 -0.014 0.000 0.934 644 E CB 0.777 30.461 29.700 -0.025 0.000 0.940 644 E HN 0.263 nan 8.360 nan 0.000 0.473 645 S N 3.701 119.406 115.700 0.009 0.000 2.461 645 S HA -0.037 4.437 4.470 0.007 0.000 0.228 645 S C 1.205 175.817 174.600 0.021 0.000 1.005 645 S CA 0.276 58.483 58.200 0.012 0.000 0.942 645 S CB 0.187 63.391 63.200 0.007 0.000 0.776 645 S HN 0.497 nan 8.310 nan 0.000 0.514 646 L N 1.203 122.442 121.223 0.027 0.000 3.209 646 L HA 0.588 4.932 4.340 0.007 0.000 0.279 646 L C 0.879 177.789 176.870 0.067 0.000 1.301 646 L CA -0.295 54.566 54.840 0.035 0.000 1.004 646 L CB 0.597 42.671 42.059 0.025 0.000 1.402 646 L HN 0.478 nan 8.230 nan 0.000 0.577 647 G N -1.489 107.369 108.800 0.097 0.000 3.008 647 G HA2 0.417 4.381 3.960 0.007 0.000 0.148 647 G HA3 0.417 4.381 3.960 0.007 0.000 0.148 647 G C -0.714 174.358 174.900 0.287 0.000 1.184 647 G CA 0.106 45.346 45.100 0.233 0.000 1.087 647 G HN 0.139 nan 8.290 nan 0.000 0.602 648 H N -0.609 118.463 119.070 0.005 0.000 4.405 648 H HA 0.562 5.122 4.556 0.007 0.000 0.433 648 H C -0.946 174.389 175.328 0.012 0.000 1.169 648 H CA -0.437 55.615 56.048 0.007 0.000 0.658 648 H CB 0.190 29.958 29.762 0.010 0.000 1.027 648 H HN 0.363 nan 8.280 nan 0.000 0.772 649 K N 1.009 121.355 120.400 -0.090 0.000 2.266 649 K HA 0.317 4.642 4.320 0.007 0.000 0.274 649 K C -1.009 175.428 176.600 -0.273 0.000 1.090 649 K CA -0.007 56.213 56.287 -0.111 0.000 0.925 649 K CB 0.521 33.048 32.500 0.045 0.000 1.225 649 K HN 0.513 nan 8.250 nan 0.000 0.458 650 E N 3.647 123.676 120.200 -0.285 0.000 2.314 650 E HA 0.294 4.648 4.350 0.007 0.000 0.272 650 E C -1.006 175.509 176.600 -0.142 0.000 0.884 650 E CA -0.706 55.529 56.400 -0.274 0.000 0.753 650 E CB 0.829 30.286 29.700 -0.405 0.000 1.213 650 E HN 0.421 nan 8.360 nan 0.000 0.432 651 L N 4.229 125.382 121.223 -0.115 0.000 2.529 651 L HA 0.032 4.376 4.340 0.007 0.000 0.287 651 L C 1.565 178.380 176.870 -0.091 0.000 1.241 651 L CA 0.279 55.059 54.840 -0.100 0.000 0.857 651 L CB 0.234 42.203 42.059 -0.150 0.000 1.113 651 L HN 0.705 nan 8.230 nan 0.000 0.504 652 K N 1.505 121.862 120.400 -0.072 0.000 2.103 652 K HA -0.004 4.320 4.320 0.007 0.000 0.204 652 K C 0.273 176.847 176.600 -0.042 0.000 1.052 652 K CA 0.517 56.773 56.287 -0.053 0.000 0.945 652 K CB 0.138 32.604 32.500 -0.058 0.000 0.722 652 K HN 0.407 nan 8.250 nan 0.000 0.443 653 V N 4.067 123.912 119.914 -0.116 0.000 2.493 653 V HA -0.038 4.086 4.120 0.007 0.000 0.292 653 V C 0.485 176.589 176.094 0.015 0.000 1.016 653 V CA 0.310 62.550 62.300 -0.100 0.000 1.097 653 V CB 0.211 31.839 31.823 -0.324 0.000 0.947 653 V HN 0.202 nan 8.190 nan 0.000 0.479 654 R N 3.496 124.152 120.500 0.259 0.000 2.828 654 R HA 0.395 4.739 4.340 0.007 0.000 0.264 654 R C 1.000 177.317 176.300 0.027 0.000 1.022 654 R CA -1.120 55.022 56.100 0.071 0.000 1.021 654 R CB 0.701 31.008 30.300 0.011 0.000 1.163 654 R HN 0.544 nan 8.270 nan 0.000 0.494 655 K N 0.649 121.038 120.400 -0.019 0.000 2.281 655 K HA -0.110 4.214 4.320 0.007 0.000 0.203 655 K C 1.681 178.255 176.600 -0.042 0.000 1.046 655 K CA 1.764 58.041 56.287 -0.016 0.000 0.938 655 K CB -0.351 32.141 32.500 -0.014 0.000 0.737 655 K HN 0.764 nan 8.250 nan 0.000 0.458 656 G N -0.049 108.683 108.800 -0.114 0.000 2.414 656 G HA2 -0.242 3.722 3.960 0.007 0.000 0.215 656 G HA3 -0.242 3.722 3.960 0.007 0.000 0.215 656 G C 1.103 175.878 174.900 -0.208 0.000 1.188 656 G CA 0.747 45.729 45.100 -0.196 0.000 0.783 656 G HN 0.354 nan 8.290 nan 0.000 0.537 657 H N 0.592 119.623 119.070 -0.064 0.000 2.352 657 H HA -0.032 4.528 4.556 0.007 0.000 0.299 657 H C 2.693 178.029 175.328 0.014 0.000 1.097 657 H CA 1.325 57.349 56.048 -0.041 0.000 1.311 657 H CB -0.182 29.613 29.762 0.056 0.000 1.377 657 H HN 0.353 nan 8.280 nan 0.000 0.504 658 I N 0.587 121.242 120.570 0.143 0.000 2.315 658 I HA -0.166 4.008 4.170 0.007 0.000 0.248 658 I C 2.785 178.955 176.117 0.089 0.000 1.117 658 I CA 0.814 62.193 61.300 0.132 0.000 1.404 658 I CB -0.239 37.820 38.000 0.099 0.000 1.071 658 I HN 0.138 nan 8.210 nan 0.000 0.419 659 A N 0.515 123.349 122.820 0.024 0.000 1.969 659 A HA -0.219 4.105 4.320 0.007 0.000 0.218 659 A C 2.351 179.922 177.584 -0.022 0.000 1.169 659 A CA 1.541 53.576 52.037 -0.004 0.000 0.635 659 A CB -0.402 18.573 19.000 -0.042 0.000 0.810 659 A HN 0.323 nan 8.150 nan 0.000 0.445 660 K N -0.646 119.710 120.400 -0.073 0.000 2.296 660 K HA 0.144 4.469 4.320 0.007 0.000 0.200 660 K C 1.693 178.287 176.600 -0.010 0.000 1.048 660 K CA 0.477 56.674 56.287 -0.151 0.000 0.966 660 K CB -0.150 32.086 32.500 -0.441 0.000 0.754 660 K HN 0.482 nan 8.250 nan 0.000 0.466 661 L N 0.199 121.499 121.223 0.129 0.000 2.095 661 L HA -0.039 4.305 4.340 0.007 0.000 0.204 661 L C 2.330 179.326 176.870 0.209 0.000 1.080 661 L CA 0.774 55.774 54.840 0.267 0.000 0.759 661 L CB -0.100 42.155 42.059 0.327 0.000 0.914 661 L HN 0.263 nan 8.230 nan 0.000 0.439 662 M N -0.897 118.803 119.600 0.167 0.000 2.374 662 M HA -0.143 4.341 4.480 0.007 0.000 0.264 662 M C 2.342 178.734 176.300 0.152 0.000 1.067 662 M CA 1.295 56.694 55.300 0.164 0.000 1.103 662 M CB -0.433 32.248 32.600 0.135 0.000 1.402 662 M HN 0.294 nan 8.290 nan 0.000 0.444 663 A N 0.041 122.920 122.820 0.099 0.000 1.933 663 A HA -0.123 4.201 4.320 0.007 0.000 0.218 663 A C 2.142 179.819 177.584 0.156 0.000 1.175 663 A CA 2.035 54.117 52.037 0.074 0.000 0.628 663 A CB -0.847 18.162 19.000 0.014 0.000 0.814 663 A HN 0.432 nan 8.150 nan 0.000 0.444 664 T N -0.755 113.900 114.554 0.168 0.000 3.014 664 T HA -0.026 4.328 4.350 0.007 0.000 0.263 664 T C 1.637 176.446 174.700 0.181 0.000 1.078 664 T CA 1.156 63.362 62.100 0.176 0.000 1.135 664 T CB -0.043 68.938 68.868 0.189 0.000 0.895 664 T HN 0.767 nan 8.240 nan 0.000 0.480 665 E N 0.223 120.543 120.200 0.199 0.000 2.489 665 E HA -0.028 4.327 4.350 0.007 0.000 0.193 665 E C 1.198 177.908 176.600 0.184 0.000 1.057 665 E CA 0.059 56.568 56.400 0.181 0.000 0.866 665 E CB -0.014 29.804 29.700 0.196 0.000 0.916 665 E HN 0.707 nan 8.360 nan 0.000 0.500 666 Y N 1.526 121.871 120.300 0.074 0.000 2.458 666 Y HA 0.145 4.700 4.550 0.007 0.000 0.256 666 Y C -0.407 175.521 175.900 0.046 0.000 1.159 666 Y CA 0.027 58.161 58.100 0.056 0.000 1.261 666 Y CB 0.553 39.044 38.460 0.052 0.000 1.119 666 Y HN 0.052 nan 8.280 nan 0.000 0.524 667 Q N 0.607 120.469 119.800 0.103 0.000 2.487 667 Q HA 0.218 4.562 4.340 0.007 0.000 0.234 667 Q C -1.173 174.861 176.000 0.057 0.000 0.828 667 Q CA -0.745 55.080 55.803 0.037 0.000 0.907 667 Q CB 0.128 28.960 28.738 0.157 0.000 1.462 667 Q HN 0.291 nan 8.270 nan 0.000 0.442 679 Y N 3.808 124.152 120.300 0.074 0.000 2.676 679 Y HA 0.250 4.804 4.550 0.007 0.000 0.338 679 Y C 0.796 176.753 175.900 0.095 0.000 1.057 679 Y CA -0.326 57.818 58.100 0.074 0.000 1.314 679 Y CB 0.464 38.972 38.460 0.080 0.000 1.164 679 Y HN 0.174 nan 8.280 nan 0.000 0.509 680 T N 1.492 116.017 114.554 -0.049 0.000 2.652 680 T HA -0.122 4.233 4.350 0.007 0.000 0.319 680 T C 1.287 175.974 174.700 -0.022 0.000 1.029 680 T CA -0.262 61.843 62.100 0.008 0.000 0.990 680 T CB 0.355 69.229 68.868 0.011 0.000 1.098 680 T HN 0.833 nan 8.240 nan 0.000 0.520 681 W N 0.140 121.399 121.300 -0.067 0.000 2.379 681 W HA -0.143 4.522 4.660 0.007 0.000 0.307 681 W C 2.384 178.835 176.519 -0.114 0.000 1.200 681 W CA 1.475 58.785 57.345 -0.058 0.000 1.297 681 W CB -1.002 28.437 29.460 -0.035 0.000 1.140 681 W HN 0.744 nan 8.180 nan 0.000 0.507 682 S N 1.206 116.860 115.700 -0.077 0.000 2.389 682 S HA -0.294 4.181 4.470 0.007 0.000 0.231 682 S C 2.170 176.545 174.600 -0.376 0.000 1.052 682 S CA 3.090 61.171 58.200 -0.198 0.000 1.053 682 S CB -0.784 62.405 63.200 -0.017 0.000 0.886 682 S HN 0.489 nan 8.310 nan 0.000 0.456 683 S N 1.782 117.240 115.700 -0.404 0.000 2.374 683 S HA -0.111 4.363 4.470 0.007 0.000 0.227 683 S C 1.846 176.144 174.600 -0.503 0.000 1.037 683 S CA 1.578 59.490 58.200 -0.480 0.000 1.024 683 S CB -0.974 61.747 63.200 -0.798 0.000 0.861 683 S HN 0.559 nan 8.310 nan 0.000 0.456 684 L N 0.171 121.022 121.223 -0.620 0.000 2.081 684 L HA -0.099 4.245 4.340 0.007 0.000 0.212 684 L C 2.613 179.162 176.870 -0.535 0.000 1.080 684 L CA 1.049 55.559 54.840 -0.551 0.000 0.754 684 L CB -0.587 41.074 42.059 -0.664 0.000 0.893 684 L HN 0.276 nan 8.230 nan 0.000 0.433 685 L N -0.091 120.743 121.223 -0.648 0.000 2.201 685 L HA -0.147 4.197 4.340 0.007 0.000 0.212 685 L C 2.034 178.706 176.870 -0.330 0.000 1.105 685 L CA 1.500 56.028 54.840 -0.520 0.000 0.775 685 L CB -0.505 41.240 42.059 -0.523 0.000 0.913 685 L HN 0.299 nan 8.230 nan 0.000 0.440 686 N N -0.664 117.866 118.700 -0.283 0.000 2.368 686 N HA -0.047 4.697 4.740 0.007 0.000 0.176 686 N C 0.894 176.315 175.510 -0.148 0.000 1.021 686 N CA 0.645 53.584 53.050 -0.186 0.000 0.888 686 N CB -0.026 38.370 38.487 -0.152 0.000 0.995 686 N HN 0.390 nan 8.380 nan 0.000 0.437 687 E N 0.309 120.411 120.200 -0.163 0.000 2.335 687 E HA 0.227 4.581 4.350 0.007 0.000 0.191 687 E C 0.194 176.715 176.600 -0.132 0.000 1.077 687 E CA -0.352 55.981 56.400 -0.111 0.000 1.010 687 E CB -0.180 29.480 29.700 -0.066 0.000 1.141 687 E HN 0.265 nan 8.360 nan 0.000 0.452 688 G N 1.542 110.252 108.800 -0.149 0.000 2.390 688 G HA2 -0.284 3.680 3.960 0.007 0.000 0.299 688 G HA3 -0.284 3.680 3.960 0.007 0.000 0.299 688 G C 0.595 175.420 174.900 -0.124 0.000 1.002 688 G CA 0.498 45.521 45.100 -0.129 0.000 0.979 688 G HN 0.374 nan 8.290 nan 0.000 0.513 689 L N -1.972 119.151 121.223 -0.166 0.000 2.425 689 L HA 0.270 4.615 4.340 0.007 0.000 0.215 689 L C 0.892 177.742 176.870 -0.034 0.000 1.065 689 L CA 0.298 55.059 54.840 -0.132 0.000 0.842 689 L CB 0.122 42.036 42.059 -0.241 0.000 1.033 689 L HN 0.158 nan 8.230 nan 0.000 0.474 690 V N -0.164 119.670 119.914 -0.135 0.000 2.769 690 V HA 0.403 4.527 4.120 0.007 0.000 0.312 690 V C -0.725 175.285 176.094 -0.139 0.000 1.061 690 V CA -0.691 61.539 62.300 -0.117 0.000 0.931 690 V CB 2.499 34.128 31.823 -0.324 0.000 1.010 690 V HN 0.092 nan 8.190 nan 0.000 0.433 691 E N 1.484 121.673 120.200 -0.019 0.000 2.272 691 E HA 0.460 4.814 4.350 0.007 0.000 0.269 691 E C -1.728 174.947 176.600 0.125 0.000 0.877 691 E CA -0.663 55.730 56.400 -0.013 0.000 0.755 691 E CB 1.992 31.750 29.700 0.097 0.000 1.192 691 E HN 0.698 nan 8.360 nan 0.000 0.422 692 Y N 3.498 123.841 120.300 0.072 0.000 2.335 692 Y HA 0.388 4.943 4.550 0.007 0.000 0.331 692 Y C 0.336 176.249 175.900 0.021 0.000 1.094 692 Y CA -0.600 57.563 58.100 0.106 0.000 1.253 692 Y CB 0.903 39.361 38.460 -0.003 0.000 1.203 692 Y HN 0.297 nan 8.280 nan 0.000 0.508 693 I N 4.314 125.031 120.570 0.245 0.000 2.534 693 I HA 0.105 4.280 4.170 0.007 0.000 0.288 693 I C -0.663 175.551 176.117 0.161 0.000 1.077 693 I CA -0.834 60.531 61.300 0.108 0.000 1.051 693 I CB 1.691 39.672 38.000 -0.031 0.000 1.234 693 I HN 0.678 nan 8.210 nan 0.000 0.425 694 D N 5.672 126.155 120.400 0.139 0.000 2.506 694 D HA 0.326 4.970 4.640 0.007 0.000 0.272 694 D C 0.933 177.323 176.300 0.149 0.000 1.214 694 D CA -0.393 53.700 54.000 0.156 0.000 1.067 694 D CB 1.260 42.130 40.800 0.115 0.000 1.117 694 D HN 0.463 nan 8.370 nan 0.000 0.578 695 A N -0.117 122.805 122.820 0.169 0.000 1.855 695 A HA -0.209 4.115 4.320 0.007 0.000 0.215 695 A C 2.074 179.805 177.584 0.245 0.000 1.191 695 A CA 2.167 54.344 52.037 0.232 0.000 0.613 695 A CB -1.082 18.100 19.000 0.303 0.000 0.829 695 A HN 0.736 nan 8.150 nan 0.000 0.442 696 E N -0.092 120.222 120.200 0.189 0.000 2.130 696 E HA -0.232 4.122 4.350 0.007 0.000 0.196 696 E C 1.913 178.605 176.600 0.154 0.000 0.998 696 E CA 1.800 58.292 56.400 0.155 0.000 0.806 696 E CB -0.156 29.631 29.700 0.145 0.000 0.738 696 E HN 0.729 nan 8.360 nan 0.000 0.459 697 E N -0.318 119.967 120.200 0.141 0.000 2.250 697 E HA -0.129 4.225 4.350 0.007 0.000 0.192 697 E C 1.754 178.409 176.600 0.092 0.000 0.986 697 E CA 0.349 56.814 56.400 0.108 0.000 0.849 697 E CB 0.009 29.760 29.700 0.086 0.000 0.797 697 E HN 0.335 nan 8.360 nan 0.000 0.482 698 E N 0.602 120.866 120.200 0.105 0.000 2.209 698 E HA -0.207 4.147 4.350 0.007 0.000 0.196 698 E C 1.630 178.292 176.600 0.103 0.000 0.993 698 E CA 0.790 57.245 56.400 0.091 0.000 0.819 698 E CB 0.178 29.952 29.700 0.123 0.000 0.745 698 E HN 0.185 nan 8.360 nan 0.000 0.477 699 E N -0.173 120.106 120.200 0.131 0.000 2.333 699 E HA -0.104 4.251 4.350 0.007 0.000 0.198 699 E C 1.286 177.946 176.600 0.099 0.000 1.007 699 E CA 1.021 57.498 56.400 0.127 0.000 0.845 699 E CB 0.162 29.954 29.700 0.153 0.000 0.766 699 E HN 0.208 nan 8.360 nan 0.000 0.507 700 S N -0.061 115.697 115.700 0.097 0.000 2.588 700 S HA 0.294 4.768 4.470 0.007 0.000 0.245 700 S C 0.639 175.310 174.600 0.118 0.000 1.021 700 S CA -0.671 57.585 58.200 0.092 0.000 1.006 700 S CB -0.684 62.564 63.200 0.080 0.000 0.830 700 S HN 0.221 nan 8.310 nan 0.000 0.468 701 I N -2.738 117.913 120.570 0.135 0.000 3.145 701 I HA 0.782 4.956 4.170 0.007 0.000 0.313 701 I C -1.657 174.575 176.117 0.190 0.000 1.122 701 I CA -1.795 59.630 61.300 0.209 0.000 0.987 701 I CB 1.991 40.156 38.000 0.274 0.000 1.236 701 I HN 0.036 nan 8.210 nan 0.000 0.453 702 L N 4.226 125.602 121.223 0.255 0.000 2.401 702 L HA 0.559 4.903 4.340 0.007 0.000 0.263 702 L C -0.841 176.262 176.870 0.389 0.000 1.004 702 L CA -0.235 54.775 54.840 0.283 0.000 0.881 702 L CB 0.967 43.177 42.059 0.252 0.000 1.219 702 L HN 0.474 nan 8.230 nan 0.000 0.441 703 I N 4.214 124.929 120.570 0.242 0.000 2.396 703 I HA 0.460 4.634 4.170 0.007 0.000 0.289 703 I C 0.822 176.947 176.117 0.012 0.000 1.056 703 I CA -0.259 61.120 61.300 0.131 0.000 1.365 703 I CB 1.216 39.257 38.000 0.068 0.000 1.407 703 I HN 0.682 nan 8.210 nan 0.000 0.509 704 A N 5.513 128.141 122.820 -0.320 0.000 2.271 704 A HA 0.472 4.796 4.320 0.007 0.000 0.288 704 A C 0.613 178.049 177.584 -0.247 0.000 1.094 704 A CA -0.465 51.212 52.037 -0.599 0.000 0.828 704 A CB 0.993 19.199 19.000 -1.324 0.000 1.091 704 A HN 0.799 nan 8.150 nan 0.000 0.493 705 M N -0.693 118.794 119.600 -0.188 0.000 2.384 705 M HA 0.174 4.658 4.480 0.007 0.000 0.258 705 M C 0.334 176.566 176.300 -0.114 0.000 1.130 705 M CA 1.725 56.952 55.300 -0.122 0.000 1.187 705 M CB -0.002 32.531 32.600 -0.111 0.000 1.307 705 M HN 0.733 nan 8.290 nan 0.000 0.468 706 Q N -0.063 119.679 119.800 -0.097 0.000 2.323 706 Q HA 0.330 4.674 4.340 0.007 0.000 0.271 706 Q C -2.066 173.908 176.000 -0.044 0.000 1.048 706 Q CA -1.767 53.998 55.803 -0.063 0.000 0.792 706 Q CB 2.018 30.729 28.738 -0.045 0.000 1.280 706 Q HN 0.054 nan 8.270 nan 0.000 0.441 707 P HA -0.190 nan 4.420 nan 0.000 0.239 707 P C 0.096 177.397 177.300 0.002 0.000 1.184 707 P CA 1.094 64.174 63.100 -0.032 0.000 0.760 707 P CB 0.465 32.136 31.700 -0.049 0.000 0.884 708 E N -0.943 119.269 120.200 0.020 0.000 2.279 708 E HA -0.012 4.342 4.350 0.007 0.000 0.199 708 E C 1.385 178.016 176.600 0.052 0.000 0.893 708 E CA -0.191 56.233 56.400 0.041 0.000 0.978 708 E CB -0.761 28.968 29.700 0.047 0.000 0.964 708 E HN -0.181 nan 8.360 nan 0.000 0.486 709 D N 1.309 121.738 120.400 0.049 0.000 2.144 709 D HA -0.043 4.601 4.640 0.007 0.000 0.200 709 D C 1.330 177.675 176.300 0.074 0.000 0.978 709 D CA 0.962 54.997 54.000 0.058 0.000 0.833 709 D CB 0.192 41.024 40.800 0.054 0.000 0.961 709 D HN 0.240 nan 8.370 nan 0.000 0.470 710 L N 0.791 122.055 121.223 0.069 0.000 2.928 710 L HA 0.165 4.509 4.340 0.007 0.000 0.236 710 L C 0.980 177.935 176.870 0.141 0.000 1.290 710 L CA 0.110 55.016 54.840 0.111 0.000 1.099 710 L CB 0.259 42.359 42.059 0.068 0.000 1.437 710 L HN -0.212 nan 8.230 nan 0.000 0.493 711 E N -0.928 119.354 120.200 0.137 0.000 2.640 711 E HA 0.099 4.453 4.350 0.007 0.000 0.197 711 E C -1.064 175.654 176.600 0.197 0.000 0.925 711 E CA 0.207 56.723 56.400 0.194 0.000 1.604 711 E CB -0.174 29.624 29.700 0.165 0.000 1.769 711 E HN 0.289 nan 8.360 nan 0.000 0.965 712 P HA 0.301 nan 4.420 nan 0.000 0.214 712 P C -0.194 177.061 177.300 -0.074 0.000 1.163 712 P CA 1.069 64.170 63.100 0.000 0.000 0.881 712 P CB 0.653 32.362 31.700 0.015 0.000 0.775 713 A N -1.619 121.184 122.820 -0.027 0.000 2.479 713 A HA 0.381 4.705 4.320 0.007 0.000 0.297 713 A C -1.421 176.154 177.584 -0.016 0.000 0.967 713 A CA -0.534 51.479 52.037 -0.040 0.000 0.606 713 A CB -0.220 18.743 19.000 -0.062 0.000 1.382 713 A HN -0.032 nan 8.150 nan 0.000 0.457 714 E N 0.334 120.521 120.200 -0.021 0.000 4.230 714 E HA 0.482 4.836 4.350 0.007 0.000 0.216 714 E C 0.510 177.101 176.600 -0.015 0.000 1.132 714 E CA 0.227 56.620 56.400 -0.011 0.000 1.404 714 E CB 0.779 30.472 29.700 -0.013 0.000 1.183 714 E HN 1.398 nan 8.360 nan 0.000 0.431 723 V N 0.779 120.712 119.914 0.031 0.000 3.403 723 V HA 0.347 4.472 4.120 0.007 0.000 0.305 723 V C -0.676 175.440 176.094 0.036 0.000 1.060 723 V CA -0.001 62.321 62.300 0.036 0.000 1.053 723 V CB 1.601 33.447 31.823 0.038 0.000 1.198 723 V HN 0.464 nan 8.190 nan 0.000 0.447 724 D N 2.153 122.578 120.400 0.042 0.000 2.317 724 D HA 0.357 5.002 4.640 0.007 0.000 0.234 724 D C -1.626 174.699 176.300 0.042 0.000 1.112 724 D CA -1.859 52.167 54.000 0.042 0.000 0.840 724 D CB 1.820 42.649 40.800 0.049 0.000 1.078 724 D HN 0.352 nan 8.370 nan 0.000 0.486 725 P HA -0.085 nan 4.420 nan 0.000 0.228 725 P C 0.765 178.088 177.300 0.038 0.000 1.151 725 P CA 0.462 63.583 63.100 0.035 0.000 0.770 725 P CB 0.392 32.109 31.700 0.029 0.000 0.786 726 A N -0.499 122.347 122.820 0.043 0.000 2.030 726 A HA 0.029 4.353 4.320 0.007 0.000 0.215 726 A C 1.377 178.997 177.584 0.060 0.000 1.164 726 A CA 0.482 52.547 52.037 0.047 0.000 0.697 726 A CB -0.493 18.534 19.000 0.046 0.000 0.827 726 A HN 0.136 nan 8.150 nan 0.000 0.457 727 K N 0.713 121.151 120.400 0.064 0.000 2.180 727 K HA 0.241 4.565 4.320 0.007 0.000 0.251 727 K C 0.431 177.074 176.600 0.073 0.000 1.014 727 K CA -0.481 55.853 56.287 0.078 0.000 0.913 727 K CB 0.430 32.977 32.500 0.078 0.000 1.008 727 K HN 0.544 nan 8.250 nan 0.000 0.490 728 R N 0.845 121.394 120.500 0.082 0.000 2.863 728 R HA 0.112 4.457 4.340 0.007 0.000 0.273 728 R C -0.201 176.133 176.300 0.057 0.000 1.057 728 R CA -0.092 56.049 56.100 0.068 0.000 1.191 728 R CB -0.127 30.219 30.300 0.077 0.000 1.104 728 R HN 0.428 nan 8.270 nan 0.000 0.519 729 I N 1.214 121.811 120.570 0.045 0.000 2.317 729 I HA 0.261 4.435 4.170 0.007 0.000 0.286 729 I C 0.215 176.354 176.117 0.036 0.000 1.119 729 I CA -0.454 60.868 61.300 0.038 0.000 1.228 729 I CB 0.393 38.410 38.000 0.029 0.000 1.476 729 I HN 0.391 nan 8.210 nan 0.000 0.514 730 R N 3.364 123.889 120.500 0.042 0.000 2.389 730 R HA 0.427 4.772 4.340 0.007 0.000 0.295 730 R C 0.081 176.400 176.300 0.033 0.000 1.075 730 R CA -0.266 55.855 56.100 0.035 0.000 1.005 730 R CB 0.961 31.287 30.300 0.042 0.000 0.987 730 R HN 0.373 nan 8.270 nan 0.000 0.452 731 V N 1.647 121.573 119.914 0.021 0.000 3.751 731 V HA 0.255 4.380 4.120 0.007 0.000 0.274 731 V C 0.343 176.470 176.094 0.055 0.000 0.960 731 V CA -0.438 61.877 62.300 0.026 0.000 0.960 731 V CB 1.226 33.050 31.823 0.001 0.000 1.244 731 V HN 0.865 nan 8.190 nan 0.000 0.417 732 S N -2.157 113.591 115.700 0.080 0.000 2.521 732 S HA 0.440 4.914 4.470 0.007 0.000 0.295 732 S C 0.199 174.936 174.600 0.229 0.000 1.098 732 S CA -0.440 57.849 58.200 0.148 0.000 0.999 732 S CB 1.527 64.827 63.200 0.167 0.000 1.034 732 S HN 0.728 nan 8.310 nan 0.000 0.483 733 H N 2.411 121.566 119.070 0.142 0.000 2.465 733 H HA 0.212 4.772 4.556 0.007 0.000 0.289 733 H C 1.261 176.710 175.328 0.201 0.000 1.022 733 H CA 2.046 58.183 56.048 0.149 0.000 1.340 733 H CB -0.278 29.603 29.762 0.198 0.000 1.437 733 H HN 1.003 nan 8.280 nan 0.000 0.539 734 H N -1.715 117.376 119.070 0.035 0.000 4.988 734 H HA -0.244 4.316 4.556 0.007 0.000 0.062 734 H C 0.762 175.895 175.328 -0.324 0.000 0.573 734 H CA 1.095 57.084 56.048 -0.098 0.000 0.989 734 H CB -1.477 28.250 29.762 -0.058 0.000 0.461 734 H HN 0.448 nan 8.280 nan 0.000 0.781 735 A N 1.773 124.214 122.820 -0.632 0.000 2.520 735 A HA 0.364 4.688 4.320 0.007 0.000 0.245 735 A C 0.395 177.465 177.584 -0.857 0.000 1.072 735 A CA 1.261 52.804 52.037 -0.824 0.000 0.761 735 A CB 0.052 18.342 19.000 -1.183 0.000 1.004 735 A HN 0.413 nan 8.150 nan 0.000 0.499 736 T N 2.285 116.488 114.554 -0.586 0.000 3.418 736 T HA 0.384 4.739 4.350 0.007 0.000 0.315 736 T C -0.002 174.482 174.700 -0.359 0.000 1.447 736 T CA -0.125 61.662 62.100 -0.521 0.000 1.641 736 T CB 0.248 68.975 68.868 -0.235 0.000 0.904 736 T HN 0.631 nan 8.240 nan 0.000 0.640 737 T N 0.237 114.530 114.554 -0.434 0.000 3.337 737 T HA 0.317 4.672 4.350 0.007 0.000 0.299 737 T C 0.405 175.050 174.700 -0.091 0.000 0.998 737 T CA -0.503 61.481 62.100 -0.192 0.000 0.948 737 T CB -0.246 68.538 68.868 -0.139 0.000 1.170 737 T HN 0.471 nan 8.240 nan 0.000 0.508 738 F N 3.026 122.970 119.950 -0.011 0.000 2.635 738 F HA 0.021 4.552 4.527 0.007 0.000 0.379 738 F C 2.096 177.874 175.800 -0.037 0.000 1.094 738 F CA 0.365 58.367 58.000 0.004 0.000 1.300 738 F CB 0.800 39.811 39.000 0.017 0.000 1.035 738 F HN 0.217 nan 8.300 nan 0.000 0.581 739 T N -1.305 113.367 114.554 0.197 0.000 3.058 739 T HA 0.197 4.552 4.350 0.007 0.000 0.247 739 T C -0.170 174.294 174.700 -0.392 0.000 0.987 739 T CA -0.003 62.034 62.100 -0.106 0.000 1.062 739 T CB 0.075 68.906 68.868 -0.061 0.000 1.048 739 T HN 0.528 nan 8.240 nan 0.000 0.468 740 H N -0.767 118.369 119.070 0.110 0.000 2.851 740 H HA 0.728 5.289 4.556 0.007 0.000 0.372 740 H C -1.234 174.096 175.328 0.004 0.000 1.158 740 H CA -0.873 55.214 56.048 0.066 0.000 1.159 740 H CB 1.779 31.583 29.762 0.069 0.000 1.757 740 H HN 0.327 nan 8.280 nan 0.000 0.546 741 C N 1.650 121.037 119.300 0.146 0.000 2.454 741 C HA 0.469 4.933 4.460 0.007 0.000 0.336 741 C C -0.112 174.936 174.990 0.097 0.000 1.189 741 C CA -0.351 58.704 59.018 0.062 0.000 1.877 741 C CB 0.867 28.660 27.740 0.088 0.000 2.348 741 C HN 0.935 nan 8.230 nan 0.000 0.508 742 E N 2.914 123.138 120.200 0.039 0.000 2.146 742 E HA 0.281 4.636 4.350 0.007 0.000 0.282 742 E C 1.111 177.685 176.600 -0.044 0.000 0.989 742 E CA -0.478 55.918 56.400 -0.008 0.000 0.799 742 E CB 0.658 30.379 29.700 0.036 0.000 1.088 742 E HN 0.578 nan 8.360 nan 0.000 0.397 743 I N 2.631 123.067 120.570 -0.223 0.000 2.300 743 I HA -0.225 3.950 4.170 0.007 0.000 0.252 743 I C 0.631 176.704 176.117 -0.074 0.000 1.119 743 I CA 1.695 62.827 61.300 -0.280 0.000 1.384 743 I CB -1.273 36.415 38.000 -0.520 0.000 1.062 743 I HN 0.674 nan 8.210 nan 0.000 0.426 744 H N -1.658 117.261 119.070 -0.252 0.000 3.411 744 H HA 0.125 4.685 4.556 0.007 0.000 0.378 744 H C -2.246 172.961 175.328 -0.201 0.000 1.619 744 H CA -0.716 55.175 56.048 -0.262 0.000 1.657 744 H CB 0.794 30.218 29.762 -0.563 0.000 2.666 744 H HN -0.301 nan 8.280 nan 0.000 0.380 745 P HA -0.265 nan 4.420 nan 0.000 0.219 745 P C 1.435 178.717 177.300 -0.031 0.000 1.153 745 P CA 2.335 65.298 63.100 -0.229 0.000 0.865 745 P CB 0.068 31.418 31.700 -0.583 0.000 0.788 746 S N -2.422 113.512 115.700 0.390 0.000 2.528 746 S HA -0.111 4.363 4.470 0.007 0.000 0.244 746 S C 1.528 176.235 174.600 0.179 0.000 0.982 746 S CA 0.918 59.437 58.200 0.531 0.000 0.953 746 S CB -0.977 62.611 63.200 0.647 0.000 0.754 746 S HN 0.004 nan 8.310 nan 0.000 0.529 747 M N 1.484 121.080 119.600 -0.007 0.000 2.495 747 M HA 0.338 4.823 4.480 0.007 0.000 0.237 747 M C 1.650 177.826 176.300 -0.205 0.000 1.131 747 M CA 0.133 55.360 55.300 -0.122 0.000 1.032 747 M CB -0.974 31.488 32.600 -0.228 0.000 1.513 747 M HN 0.605 nan 8.290 nan 0.000 0.488 748 I N -2.077 118.323 120.570 -0.283 0.000 3.334 748 I HA 0.017 4.192 4.170 0.007 0.000 0.282 748 I C 0.456 176.435 176.117 -0.230 0.000 1.313 748 I CA 0.208 61.263 61.300 -0.409 0.000 1.396 748 I CB -0.283 37.263 38.000 -0.757 0.000 1.054 748 I HN -0.013 nan 8.210 nan 0.000 0.495 749 L N 1.691 122.838 121.223 -0.126 0.000 2.421 749 L HA 0.567 4.911 4.340 0.007 0.000 0.263 749 L C 0.962 177.781 176.870 -0.084 0.000 1.122 749 L CA -0.370 54.422 54.840 -0.081 0.000 0.804 749 L CB 0.950 42.987 42.059 -0.036 0.000 1.150 749 L HN 0.161 nan 8.230 nan 0.000 0.457 750 G N 0.334 109.087 108.800 -0.079 0.000 2.531 750 G HA2 0.430 4.394 3.960 0.007 0.000 0.313 750 G HA3 0.430 4.394 3.960 0.007 0.000 0.313 750 G C 0.892 175.749 174.900 -0.072 0.000 1.238 750 G CA -0.594 44.460 45.100 -0.077 0.000 0.994 750 G HN 0.394 nan 8.290 nan 0.000 0.493 751 V N 1.217 121.086 119.914 -0.075 0.000 2.217 751 V HA -0.278 3.846 4.120 0.007 0.000 0.248 751 V C 3.378 179.419 176.094 -0.088 0.000 1.050 751 V CA 2.978 65.228 62.300 -0.084 0.000 1.007 751 V CB -1.377 30.394 31.823 -0.086 0.000 0.639 751 V HN 0.855 nan 8.190 nan 0.000 0.452 752 A N 0.051 122.827 122.820 -0.074 0.000 1.884 752 A HA -0.246 4.079 4.320 0.007 0.000 0.219 752 A C 2.421 179.953 177.584 -0.088 0.000 1.197 752 A CA 2.961 54.956 52.037 -0.070 0.000 0.637 752 A CB -1.176 17.797 19.000 -0.046 0.000 0.827 752 A HN 0.763 nan 8.150 nan 0.000 0.450 753 A N -0.727 122.048 122.820 -0.075 0.000 1.986 753 A HA -0.096 4.228 4.320 0.007 0.000 0.220 753 A C 2.315 179.838 177.584 -0.101 0.000 1.171 753 A CA 2.099 54.092 52.037 -0.074 0.000 0.640 753 A CB -0.822 18.144 19.000 -0.056 0.000 0.811 753 A HN 0.500 nan 8.150 nan 0.000 0.451 754 S N -0.442 115.192 115.700 -0.109 0.000 2.515 754 S HA 0.035 4.509 4.470 0.007 0.000 0.231 754 S C 1.460 175.939 174.600 -0.202 0.000 0.987 754 S CA 0.971 59.099 58.200 -0.120 0.000 0.936 754 S CB -0.373 62.777 63.200 -0.084 0.000 0.766 754 S HN 0.610 nan 8.310 nan 0.000 0.528 755 I N 0.972 121.385 120.570 -0.262 0.000 3.059 755 I HA 0.081 4.255 4.170 0.007 0.000 0.270 755 I C 0.322 176.236 176.117 -0.338 0.000 1.238 755 I CA 0.363 61.412 61.300 -0.418 0.000 1.478 755 I CB -0.151 37.533 38.000 -0.527 0.000 1.097 755 I HN 0.159 nan 8.210 nan 0.000 0.455 756 I N 4.510 124.936 120.570 -0.240 0.000 2.598 756 I HA 0.042 4.217 4.170 0.007 0.000 0.284 756 I C -2.015 173.983 176.117 -0.198 0.000 1.140 756 I CA -1.442 59.726 61.300 -0.220 0.000 1.420 756 I CB 0.028 37.943 38.000 -0.143 0.000 1.387 756 I HN -0.152 nan 8.210 nan 0.000 0.553 757 P HA 0.164 nan 4.420 nan 0.000 0.286 757 P C -0.362 176.981 177.300 0.071 0.000 1.269 757 P CA -0.310 62.695 63.100 -0.159 0.000 0.787 757 P CB 0.450 32.111 31.700 -0.065 0.000 0.920 758 F N 1.689 121.657 119.950 0.030 0.000 2.969 758 F HA -0.173 4.359 4.527 0.007 0.000 0.273 758 F C -0.929 174.947 175.800 0.127 0.000 0.986 758 F CA -0.190 57.880 58.000 0.118 0.000 0.926 758 F CB -1.757 37.306 39.000 0.105 0.000 0.887 758 F HN 0.364 nan 8.300 nan 0.000 0.816 759 P HA -0.169 nan 4.420 nan 0.000 0.222 759 P C 1.144 178.477 177.300 0.054 0.000 1.147 759 P CA 1.936 65.077 63.100 0.069 0.000 0.790 759 P CB 0.034 31.711 31.700 -0.039 0.000 0.780 760 D N -1.733 118.655 120.400 -0.020 0.000 2.352 760 D HA -0.139 4.505 4.640 0.007 0.000 0.232 760 D C 1.110 177.333 176.300 -0.129 0.000 1.055 760 D CA 0.527 54.487 54.000 -0.067 0.000 0.891 760 D CB -1.092 39.617 40.800 -0.152 0.000 0.897 760 D HN 0.320 nan 8.370 nan 0.000 0.529 761 H N -0.667 118.453 119.070 0.084 0.000 2.594 761 H HA 0.247 4.807 4.556 0.007 0.000 0.279 761 H C -0.167 175.183 175.328 0.037 0.000 1.042 761 H CA -0.396 55.684 56.048 0.053 0.000 1.177 761 H CB 0.533 30.313 29.762 0.029 0.000 1.524 761 H HN 0.009 nan 8.280 nan 0.000 0.537 762 N N 1.337 120.122 118.700 0.142 0.000 2.361 762 N HA 0.047 4.791 4.740 0.007 0.000 0.302 762 N C -0.179 175.364 175.510 0.055 0.000 1.074 762 N CA -0.412 52.699 53.050 0.101 0.000 0.850 762 N CB 1.793 40.369 38.487 0.148 0.000 1.228 762 N HN 0.179 nan 8.380 nan 0.000 0.491 763 Q N 0.971 120.786 119.800 0.026 0.000 2.286 763 Q HA -0.065 4.279 4.340 0.007 0.000 0.290 763 Q C 1.079 177.086 176.000 0.010 0.000 1.049 763 Q CA 0.391 56.197 55.803 0.005 0.000 0.923 763 Q CB 0.555 29.279 28.738 -0.023 0.000 1.183 763 Q HN 0.766 nan 8.270 nan 0.000 0.383 764 S N 4.517 120.227 115.700 0.017 0.000 2.406 764 S HA -0.178 4.296 4.470 0.007 0.000 0.242 764 S C -1.039 173.579 174.600 0.030 0.000 1.079 764 S CA 2.109 60.326 58.200 0.029 0.000 1.133 764 S CB -0.638 62.580 63.200 0.029 0.000 1.005 764 S HN 0.747 nan 8.310 nan 0.000 0.443 765 P HA 0.153 nan 4.420 nan 0.000 0.235 765 P C 1.337 178.638 177.300 0.002 0.000 1.177 765 P CA 0.567 63.686 63.100 0.031 0.000 0.785 765 P CB -0.099 31.598 31.700 -0.005 0.000 0.885 766 R N 0.964 121.427 120.500 -0.062 0.000 2.097 766 R HA -0.168 4.177 4.340 0.007 0.000 0.236 766 R C 1.939 178.279 176.300 0.065 0.000 1.135 766 R CA 2.016 58.077 56.100 -0.065 0.000 0.934 766 R CB -0.874 29.417 30.300 -0.015 0.000 0.846 766 R HN 0.041 nan 8.270 nan 0.000 0.431 767 N N -0.318 118.426 118.700 0.073 0.000 2.132 767 N HA -0.169 4.576 4.740 0.007 0.000 0.191 767 N C 1.623 177.188 175.510 0.092 0.000 1.015 767 N CA 2.043 55.136 53.050 0.072 0.000 0.864 767 N CB -0.621 37.895 38.487 0.049 0.000 1.006 767 N HN 0.363 nan 8.380 nan 0.000 0.430 768 T N 0.833 115.468 114.554 0.135 0.000 2.684 768 T HA -0.127 4.227 4.350 0.007 0.000 0.267 768 T C 1.620 176.435 174.700 0.192 0.000 1.036 768 T CA 1.071 63.263 62.100 0.152 0.000 1.148 768 T CB -0.405 68.578 68.868 0.192 0.000 0.863 768 T HN 0.191 nan 8.240 nan 0.000 0.436 769 Y N 1.569 121.870 120.300 0.001 0.000 2.097 769 Y HA -0.158 4.397 4.550 0.007 0.000 0.282 769 Y C 2.819 178.717 175.900 -0.004 0.000 1.152 769 Y CA 1.137 59.238 58.100 0.001 0.000 1.136 769 Y CB -1.095 37.371 38.460 0.010 0.000 0.975 769 Y HN 0.163 nan 8.280 nan 0.000 0.498 770 Q N 0.088 119.992 119.800 0.174 0.000 2.197 770 Q HA -0.135 4.209 4.340 0.007 0.000 0.207 770 Q C 1.390 177.407 176.000 0.027 0.000 0.984 770 Q CA 1.840 57.685 55.803 0.070 0.000 0.869 770 Q CB -0.491 28.260 28.738 0.022 0.000 0.906 770 Q HN 0.202 nan 8.270 nan 0.000 0.426 771 S N -0.659 115.057 115.700 0.027 0.000 2.871 771 S HA 0.472 4.946 4.470 0.007 0.000 0.254 771 S C 0.043 174.634 174.600 -0.015 0.000 1.088 771 S CA 0.364 58.562 58.200 -0.003 0.000 1.166 771 S CB 0.003 63.197 63.200 -0.010 0.000 0.826 771 S HN 0.468 nan 8.310 nan 0.000 0.471 772 A N -0.079 122.731 122.820 -0.016 0.000 2.502 772 A HA 0.488 4.812 4.320 0.007 0.000 0.253 772 A C 0.735 178.301 177.584 -0.030 0.000 0.938 772 A CA -0.217 51.795 52.037 -0.042 0.000 1.086 772 A CB 0.213 19.155 19.000 -0.096 0.000 1.176 772 A HN 0.495 nan 8.150 nan 0.000 0.499 773 M N -1.916 117.681 119.600 -0.005 0.000 2.046 773 M HA 0.169 4.653 4.480 0.007 0.000 0.246 773 M C 1.933 178.244 176.300 0.018 0.000 1.248 773 M CA 1.018 56.319 55.300 0.003 0.000 1.053 773 M CB 0.485 33.094 32.600 0.016 0.000 1.741 773 M HN 0.430 nan 8.290 nan 0.000 0.606 774 G N 1.649 110.467 108.800 0.030 0.000 2.516 774 G HA2 -0.188 3.776 3.960 0.007 0.000 0.221 774 G HA3 -0.188 3.776 3.960 0.007 0.000 0.221 774 G C 1.060 176.004 174.900 0.074 0.000 1.107 774 G CA 0.824 45.960 45.100 0.059 0.000 0.747 774 G HN 0.397 nan 8.290 nan 0.000 0.567 775 K N -0.228 120.207 120.400 0.059 0.000 2.570 775 K HA 0.247 4.571 4.320 0.007 0.000 0.210 775 K C 0.948 177.617 176.600 0.116 0.000 1.048 775 K CA -0.016 56.337 56.287 0.110 0.000 1.167 775 K CB 0.616 33.163 32.500 0.078 0.000 0.892 775 K HN 0.265 nan 8.250 nan 0.000 0.480 776 Q N -0.106 119.698 119.800 0.007 0.000 2.103 776 Q HA 0.249 4.593 4.340 0.007 0.000 0.219 776 Q C -0.021 175.914 176.000 -0.108 0.000 0.784 776 Q CA -0.317 55.407 55.803 -0.131 0.000 1.014 776 Q CB 1.396 30.068 28.738 -0.110 0.000 1.183 776 Q HN 0.267 nan 8.270 nan 0.000 0.469 777 A N 0.967 123.782 122.820 -0.008 0.000 2.249 777 A HA 0.615 4.939 4.320 0.007 0.000 0.281 777 A C -0.173 177.427 177.584 0.027 0.000 1.127 777 A CA -0.199 51.846 52.037 0.013 0.000 0.833 777 A CB 0.495 19.545 19.000 0.082 0.000 1.140 777 A HN 0.247 nan 8.150 nan 0.000 0.502 778 M N 0.986 120.614 119.600 0.047 0.000 2.018 778 M HA 0.413 4.898 4.480 0.007 0.000 0.311 778 M C 0.345 176.700 176.300 0.092 0.000 0.928 778 M CA -0.108 55.233 55.300 0.068 0.000 0.911 778 M CB 1.442 34.067 32.600 0.043 0.000 1.447 778 M HN 0.907 nan 8.290 nan 0.000 0.407 779 G N 1.706 110.566 108.800 0.100 0.000 3.212 779 G HA2 0.660 4.624 3.960 0.007 0.000 0.188 779 G HA3 0.660 4.624 3.960 0.007 0.000 0.188 779 G C -0.990 173.912 174.900 0.003 0.000 1.254 779 G CA -0.406 44.722 45.100 0.047 0.000 0.957 779 G HN 0.383 nan 8.290 nan 0.000 0.596 780 V N 1.951 121.822 119.914 -0.073 0.000 2.250 780 V HA 0.195 4.319 4.120 0.007 0.000 0.268 780 V C 0.728 176.714 176.094 -0.180 0.000 1.043 780 V CA -0.494 61.691 62.300 -0.191 0.000 0.814 780 V CB -0.054 31.643 31.823 -0.211 0.000 1.072 780 V HN 0.656 nan 8.190 nan 0.000 0.451 781 F N 2.839 122.769 119.950 -0.034 0.000 2.333 781 F HA 0.284 4.815 4.527 0.006 0.000 0.300 781 F C 0.354 176.198 175.800 0.073 0.000 1.083 781 F CA 0.805 58.831 58.000 0.044 0.000 1.395 781 F CB -0.154 38.868 39.000 0.037 0.000 1.056 781 F HN 0.243 nan 8.300 nan 0.000 0.529 782 L N -0.737 120.185 121.223 -0.501 0.000 2.775 782 L HA 0.170 4.515 4.340 0.007 0.000 0.263 782 L C 0.909 177.639 176.870 -0.232 0.000 1.017 782 L CA -0.081 54.615 54.840 -0.239 0.000 0.891 782 L CB 2.046 44.074 42.059 -0.053 0.000 1.482 782 L HN 0.012 nan 8.230 nan 0.000 0.410 783 T N -3.383 111.134 114.554 -0.061 0.000 2.978 783 T HA -0.069 4.285 4.350 0.007 0.000 0.262 783 T C 1.129 175.757 174.700 -0.121 0.000 1.063 783 T CA 0.911 63.001 62.100 -0.017 0.000 1.140 783 T CB -0.367 68.550 68.868 0.083 0.000 0.886 783 T HN 0.674 nan 8.240 nan 0.000 0.470 784 N N 2.030 120.671 118.700 -0.098 0.000 2.617 784 N HA -0.108 4.636 4.740 0.007 0.000 0.198 784 N C 1.332 176.736 175.510 -0.177 0.000 1.317 784 N CA 0.289 53.262 53.050 -0.129 0.000 0.892 784 N CB -0.980 37.475 38.487 -0.054 0.000 1.041 784 N HN 0.749 nan 8.380 nan 0.000 0.450 785 Y N 0.096 120.237 120.300 -0.265 0.000 2.256 785 Y HA -0.055 4.499 4.550 0.006 0.000 0.288 785 Y C 1.696 177.414 175.900 -0.303 0.000 1.155 785 Y CA 1.292 59.196 58.100 -0.326 0.000 1.203 785 Y CB -1.055 37.066 38.460 -0.565 0.000 0.980 785 Y HN 0.054 nan 8.280 nan 0.000 0.530 786 N N 0.270 118.416 118.700 -0.923 0.000 2.521 786 N HA -0.041 4.703 4.740 0.007 0.000 0.188 786 N C 0.835 176.158 175.510 -0.312 0.000 1.146 786 N CA 0.980 53.625 53.050 -0.674 0.000 0.893 786 N CB 0.048 38.086 38.487 -0.748 0.000 0.975 786 N HN 0.378 nan 8.380 nan 0.000 0.451 787 V N -1.003 118.776 119.914 -0.225 0.000 3.572 787 V HA 0.263 4.387 4.120 0.007 0.000 0.260 787 V C 1.014 177.082 176.094 -0.044 0.000 1.324 787 V CA 0.016 62.250 62.300 -0.111 0.000 1.068 787 V CB 0.114 31.882 31.823 -0.092 0.000 0.837 787 V HN 0.070 nan 8.190 nan 0.000 0.450 788 R N 0.191 120.676 120.500 -0.025 0.000 2.652 788 R HA 0.412 4.756 4.340 0.007 0.000 0.272 788 R C 0.193 176.515 176.300 0.036 0.000 1.162 788 R CA 0.149 56.270 56.100 0.035 0.000 1.199 788 R CB 0.220 30.574 30.300 0.090 0.000 1.166 788 R HN 0.068 nan 8.270 nan 0.000 0.597 789 M N 1.679 121.316 119.600 0.062 0.000 3.470 789 M HA 0.130 4.614 4.480 0.007 0.000 0.454 789 M C -1.460 174.880 176.300 0.067 0.000 1.631 789 M CA -0.672 54.666 55.300 0.064 0.000 0.732 789 M CB 0.290 32.927 32.600 0.062 0.000 1.454 789 M HN 0.578 nan 8.290 nan 0.000 0.521 790 D N 0.961 121.405 120.400 0.073 0.000 2.341 790 D HA 0.223 4.867 4.640 0.007 0.000 0.245 790 D C 0.537 176.862 176.300 0.042 0.000 1.106 790 D CA -0.052 53.978 54.000 0.050 0.000 0.905 790 D CB 0.495 41.312 40.800 0.028 0.000 1.202 790 D HN 0.211 nan 8.370 nan 0.000 0.426 791 T N -0.239 114.322 114.554 0.013 0.000 2.784 791 T HA 0.370 4.724 4.350 0.007 0.000 0.291 791 T C 0.589 175.302 174.700 0.021 0.000 0.942 791 T CA -0.766 61.326 62.100 -0.014 0.000 1.161 791 T CB -0.391 68.453 68.868 -0.040 0.000 0.885 791 T HN 0.545 nan 8.240 nan 0.000 0.534 792 M N 1.190 120.823 119.600 0.055 0.000 7.101 792 M HA 0.094 4.578 4.480 0.007 0.000 0.157 792 M C -0.399 176.011 176.300 0.183 0.000 0.639 792 M CA 1.262 56.670 55.300 0.180 0.000 1.294 792 M CB -0.747 31.948 32.600 0.158 0.000 0.561 792 M HN 1.777 nan 8.290 nan 0.000 0.190 793 A N 2.429 125.428 122.820 0.298 0.000 2.158 793 A HA 0.526 4.851 4.320 0.007 0.000 0.289 793 A C -1.472 176.357 177.584 0.408 0.000 0.995 793 A CA -0.950 51.258 52.037 0.285 0.000 0.915 793 A CB 0.576 19.770 19.000 0.323 0.000 1.002 793 A HN 0.680 nan 8.150 nan 0.000 0.343 794 N N 0.511 119.388 118.700 0.294 0.000 2.417 794 N HA 0.851 5.596 4.740 0.007 0.000 0.300 794 N C -1.066 174.554 175.510 0.183 0.000 1.102 794 N CA -0.151 53.043 53.050 0.241 0.000 0.886 794 N CB 1.833 40.378 38.487 0.096 0.000 1.203 794 N HN 0.588 nan 8.380 nan 0.000 0.496 795 I N 1.213 121.852 120.570 0.116 0.000 2.692 795 I HA 0.197 4.372 4.170 0.007 0.000 0.293 795 I C -1.139 175.006 176.117 0.047 0.000 1.200 795 I CA -0.476 60.808 61.300 -0.027 0.000 1.036 795 I CB 2.263 40.056 38.000 -0.345 0.000 1.258 795 I HN 0.251 nan 8.210 nan 0.000 0.421 796 L N 6.603 127.845 121.223 0.032 0.000 2.313 796 L HA 0.247 4.591 4.340 0.007 0.000 0.282 796 L C 0.609 177.527 176.870 0.079 0.000 1.092 796 L CA 0.471 55.369 54.840 0.097 0.000 0.831 796 L CB 0.211 42.319 42.059 0.083 0.000 1.159 796 L HN 0.508 nan 8.230 nan 0.000 0.442 797 Y N 4.260 124.494 120.300 -0.110 0.000 2.062 797 Y HA -0.267 4.287 4.550 0.006 0.000 0.276 797 Y C 0.344 175.904 175.900 -0.567 0.000 1.189 797 Y CA 1.785 59.677 58.100 -0.347 0.000 1.130 797 Y CB -0.414 37.852 38.460 -0.322 0.000 0.959 797 Y HN 0.480 nan 8.280 nan 0.000 0.499 798 Y N 0.414 120.792 120.300 0.129 0.000 2.787 798 Y HA 0.342 4.896 4.550 0.007 0.000 0.352 798 Y C -2.285 173.596 175.900 -0.032 0.000 1.027 798 Y CA -3.301 54.814 58.100 0.025 0.000 1.219 798 Y CB 0.274 38.741 38.460 0.011 0.000 1.110 798 Y HN -0.081 nan 8.280 nan 0.000 0.614 799 P HA 0.090 nan 4.420 nan 0.000 0.272 799 P C -0.826 176.486 177.300 0.021 0.000 1.223 799 P CA -0.094 63.012 63.100 0.010 0.000 0.784 799 P CB 1.368 33.044 31.700 -0.041 0.000 0.923 800 Q N 0.600 120.425 119.800 0.043 0.000 2.285 800 Q HA 0.221 4.566 4.340 0.007 0.000 0.269 800 Q C -0.374 175.700 176.000 0.123 0.000 1.030 800 Q CA -0.964 54.889 55.803 0.082 0.000 0.788 800 Q CB 2.506 31.302 28.738 0.096 0.000 1.266 800 Q HN 0.405 nan 8.270 nan 0.000 0.438 801 K N 2.080 122.482 120.400 0.004 0.000 2.383 801 K HA 0.272 4.596 4.320 0.007 0.000 0.286 801 K C -2.306 174.253 176.600 -0.069 0.000 1.051 801 K CA -1.240 55.002 56.287 -0.076 0.000 0.974 801 K CB -0.039 32.416 32.500 -0.076 0.000 0.968 801 K HN 0.137 nan 8.250 nan 0.000 0.475 802 P HA -0.116 nan 4.420 nan 0.000 0.267 802 P C 0.162 177.379 177.300 -0.137 0.000 1.201 802 P CA 0.025 62.853 63.100 -0.454 0.000 0.775 802 P CB 0.650 31.823 31.700 -0.878 0.000 0.854 803 L N 0.121 121.321 121.223 -0.039 0.000 2.509 803 L HA 0.176 4.520 4.340 0.007 0.000 0.222 803 L C 1.426 178.273 176.870 -0.039 0.000 1.123 803 L CA 0.679 55.505 54.840 -0.023 0.000 0.856 803 L CB -0.281 41.781 42.059 0.007 0.000 0.985 803 L HN 0.481 nan 8.230 nan 0.000 0.456 804 G N 0.060 108.823 108.800 -0.061 0.000 2.605 804 G HA2 0.530 4.494 3.960 0.007 0.000 0.304 804 G HA3 0.530 4.494 3.960 0.007 0.000 0.304 804 G C -0.621 174.181 174.900 -0.163 0.000 1.333 804 G CA -0.117 44.938 45.100 -0.076 0.000 0.973 804 G HN -0.016 nan 8.290 nan 0.000 0.507 805 T N -0.746 113.697 114.554 -0.185 0.000 2.906 805 T HA 0.687 5.041 4.350 0.007 0.000 0.295 805 T C -0.017 174.530 174.700 -0.256 0.000 1.061 805 T CA -0.728 61.240 62.100 -0.220 0.000 1.000 805 T CB 1.995 70.764 68.868 -0.164 0.000 1.103 805 T HN 0.278 nan 8.240 nan 0.000 0.486 806 T N 1.996 116.390 114.554 -0.267 0.000 2.909 806 T HA 0.302 4.656 4.350 0.007 0.000 0.286 806 T C 1.452 175.989 174.700 -0.273 0.000 1.002 806 T CA -0.996 60.947 62.100 -0.262 0.000 1.074 806 T CB 1.114 69.852 68.868 -0.217 0.000 0.984 806 T HN 0.461 nan 8.240 nan 0.000 0.495 807 R N 1.538 121.788 120.500 -0.417 0.000 2.152 807 R HA -0.056 4.288 4.340 0.007 0.000 0.232 807 R C 2.324 178.439 176.300 -0.308 0.000 1.117 807 R CA 1.022 56.746 56.100 -0.626 0.000 0.981 807 R CB -1.005 28.360 30.300 -1.558 0.000 0.870 807 R HN 0.749 nan 8.270 nan 0.000 0.451 808 A N 0.637 123.375 122.820 -0.136 0.000 2.067 808 A HA -0.066 4.258 4.320 0.007 0.000 0.219 808 A C 2.065 179.748 177.584 0.166 0.000 1.158 808 A CA 0.924 53.064 52.037 0.173 0.000 0.661 808 A CB -0.313 18.769 19.000 0.136 0.000 0.801 808 A HN 0.187 nan 8.150 nan 0.000 0.452 809 M N -1.133 118.461 119.600 -0.010 0.000 2.562 809 M HA -0.032 4.452 4.480 0.007 0.000 0.257 809 M C 1.789 178.080 176.300 -0.014 0.000 1.099 809 M CA 0.899 56.171 55.300 -0.046 0.000 1.099 809 M CB -0.145 32.363 32.600 -0.154 0.000 1.427 809 M HN 0.559 nan 8.290 nan 0.000 0.489 810 E N 0.165 120.315 120.200 -0.084 0.000 2.409 810 E HA -0.159 4.196 4.350 0.007 0.000 0.198 810 E C 0.613 176.950 176.600 -0.438 0.000 1.024 810 E CA 0.986 57.208 56.400 -0.297 0.000 0.861 810 E CB 0.278 29.691 29.700 -0.478 0.000 0.788 810 E HN 0.579 nan 8.360 nan 0.000 0.521 811 Y N -1.264 119.033 120.300 -0.005 0.000 2.445 811 Y HA 0.227 4.781 4.550 0.007 0.000 0.247 811 Y C 1.167 176.981 175.900 -0.144 0.000 1.129 811 Y CA -0.043 58.006 58.100 -0.085 0.000 1.251 811 Y CB 0.703 39.059 38.460 -0.173 0.000 1.176 811 Y HN -0.039 nan 8.280 nan 0.000 0.522 812 L N 0.068 121.327 121.223 0.061 0.000 2.818 812 L HA 0.214 4.558 4.340 0.007 0.000 0.243 812 L C 0.088 177.083 176.870 0.209 0.000 1.185 812 L CA -0.170 54.716 54.840 0.076 0.000 0.988 812 L CB 0.060 42.131 42.059 0.019 0.000 1.292 812 L HN -0.082 nan 8.230 nan 0.000 0.519 813 K N 0.209 120.697 120.400 0.147 0.000 3.490 813 K HA -0.256 4.069 4.320 0.007 0.000 0.273 813 K C 0.517 177.143 176.600 0.044 0.000 0.916 813 K CA 0.579 56.913 56.287 0.079 0.000 0.718 813 K CB -1.798 30.744 32.500 0.070 0.000 1.477 813 K HN 0.245 nan 8.250 nan 0.000 0.452 814 F N 0.661 120.559 119.950 -0.086 0.000 2.274 814 F HA 0.044 4.575 4.527 0.007 0.000 0.288 814 F C 2.027 177.749 175.800 -0.131 0.000 1.069 814 F CA 0.725 58.667 58.000 -0.098 0.000 1.343 814 F CB 0.174 39.114 39.000 -0.100 0.000 1.089 814 F HN 0.128 nan 8.300 nan 0.000 0.517 815 R N -0.072 120.424 120.500 -0.006 0.000 2.357 815 R HA -0.098 4.247 4.340 0.007 0.000 0.202 815 R C 1.181 177.402 176.300 -0.130 0.000 1.047 815 R CA 1.018 57.069 56.100 -0.083 0.000 1.034 815 R CB -0.242 30.033 30.300 -0.043 0.000 0.875 815 R HN 0.319 nan 8.270 nan 0.000 0.473 816 E N -0.092 119.995 120.200 -0.189 0.000 2.330 816 E HA 0.197 4.551 4.350 0.007 0.000 0.200 816 E C -0.100 176.260 176.600 -0.401 0.000 0.922 816 E CA 0.447 56.704 56.400 -0.239 0.000 0.935 816 E CB 0.753 30.321 29.700 -0.219 0.000 0.917 816 E HN 0.069 nan 8.360 nan 0.000 0.491 817 L N 2.193 123.124 121.223 -0.486 0.000 2.480 817 L HA 0.415 4.759 4.340 0.007 0.000 0.253 817 L C -2.484 174.104 176.870 -0.470 0.000 1.324 817 L CA -1.760 52.796 54.840 -0.473 0.000 0.916 817 L CB 1.265 42.945 42.059 -0.631 0.000 1.160 817 L HN -0.069 nan 8.230 nan 0.000 0.503 818 P HA 0.206 nan 4.420 nan 0.000 0.275 818 P C 0.270 177.307 177.300 -0.439 0.000 1.266 818 P CA -0.258 62.374 63.100 -0.781 0.000 0.793 818 P CB 1.896 33.348 31.700 -0.413 0.000 1.074 819 A N 0.251 122.891 122.820 -0.299 0.000 1.963 819 A HA 0.439 4.764 4.320 0.007 0.000 0.207 819 A C 1.361 179.053 177.584 0.179 0.000 1.243 819 A CA 1.581 53.677 52.037 0.100 0.000 0.728 819 A CB -0.798 18.435 19.000 0.388 0.000 0.895 819 A HN 0.630 nan 8.150 nan 0.000 0.467 820 G N -1.462 107.478 108.800 0.234 0.000 3.377 820 G HA2 0.548 4.512 3.960 0.007 0.000 0.182 820 G HA3 0.548 4.512 3.960 0.007 0.000 0.182 820 G C -0.981 173.765 174.900 -0.257 0.000 1.166 820 G CA -0.201 44.883 45.100 -0.026 0.000 0.771 820 G HN 0.276 nan 8.290 nan 0.000 0.701 821 Q N 0.026 119.411 119.800 -0.691 0.000 2.386 821 Q HA 0.238 4.582 4.340 0.007 0.000 0.274 821 Q C -1.489 174.282 176.000 -0.380 0.000 1.011 821 Q CA -0.845 54.677 55.803 -0.469 0.000 0.867 821 Q CB 2.276 30.602 28.738 -0.686 0.000 1.409 821 Q HN 0.476 nan 8.270 nan 0.000 0.395 822 N N 0.976 119.655 118.700 -0.034 0.000 2.483 822 N HA 0.356 5.100 4.740 0.007 0.000 0.264 822 N C -1.011 174.466 175.510 -0.055 0.000 1.197 822 N CA 0.417 53.504 53.050 0.062 0.000 0.927 822 N CB 1.109 39.652 38.487 0.094 0.000 1.065 822 N HN 0.547 nan 8.380 nan 0.000 0.461 823 A N 2.595 125.398 122.820 -0.028 0.000 2.422 823 A HA 0.430 4.755 4.320 0.007 0.000 0.302 823 A C -0.135 177.355 177.584 -0.156 0.000 1.041 823 A CA -0.776 51.206 52.037 -0.092 0.000 0.708 823 A CB 1.015 19.979 19.000 -0.061 0.000 1.257 823 A HN 0.521 nan 8.150 nan 0.000 0.414 824 I N 2.893 123.337 120.570 -0.210 0.000 2.576 824 I HA 0.127 4.301 4.170 0.007 0.000 0.288 824 I C -0.262 175.587 176.117 -0.446 0.000 1.126 824 I CA 0.317 61.401 61.300 -0.361 0.000 1.362 824 I CB -0.280 37.542 38.000 -0.297 0.000 1.419 824 I HN 0.203 nan 8.210 nan 0.000 0.533 825 V N 6.392 125.999 119.914 -0.512 0.000 2.417 825 V HA 0.597 4.721 4.120 0.007 0.000 0.291 825 V C 0.438 176.276 176.094 -0.427 0.000 1.024 825 V CA -0.640 61.430 62.300 -0.382 0.000 0.861 825 V CB 1.754 33.462 31.823 -0.191 0.000 0.985 825 V HN 0.851 nan 8.190 nan 0.000 0.436 826 A N 6.586 129.269 122.820 -0.228 0.000 2.267 826 A HA 0.689 5.014 4.320 0.007 0.000 0.315 826 A C -0.252 177.352 177.584 0.033 0.000 1.297 826 A CA -0.482 51.548 52.037 -0.012 0.000 0.865 826 A CB 0.224 19.347 19.000 0.205 0.000 1.165 826 A HN 0.801 nan 8.150 nan 0.000 0.513 827 I N 2.906 123.537 120.570 0.101 0.000 2.357 827 I HA 0.360 4.534 4.170 0.007 0.000 0.300 827 I C 0.615 176.784 176.117 0.086 0.000 1.159 827 I CA 0.508 61.875 61.300 0.112 0.000 1.339 827 I CB -0.101 38.016 38.000 0.195 0.000 1.458 827 I HN 0.688 nan 8.210 nan 0.000 0.577 828 A N 5.215 128.062 122.820 0.045 0.000 2.574 828 A HA 0.531 4.855 4.320 0.007 0.000 0.297 828 A C -0.991 176.623 177.584 0.050 0.000 1.062 828 A CA -0.484 51.578 52.037 0.042 0.000 0.686 828 A CB 1.262 20.281 19.000 0.032 0.000 1.285 828 A HN 0.584 nan 8.150 nan 0.000 0.403 829 C N 2.370 121.705 119.300 0.057 0.000 2.442 829 C HA 0.541 5.005 4.460 0.007 0.000 0.362 829 C C 0.491 175.607 174.990 0.210 0.000 1.242 829 C CA 0.056 59.129 59.018 0.091 0.000 1.741 829 C CB -1.658 26.105 27.740 0.039 0.000 2.378 829 C HN 0.793 nan 8.230 nan 0.000 0.549 830 Y N 2.364 122.696 120.300 0.053 0.000 3.262 830 Y HA 0.212 4.766 4.550 0.007 0.000 0.339 830 Y C 2.338 178.307 175.900 0.115 0.000 1.322 830 Y CA 0.432 58.582 58.100 0.083 0.000 0.880 830 Y CB -0.557 37.981 38.460 0.131 0.000 1.117 830 Y HN 0.579 nan 8.280 nan 0.000 0.850 831 S N -0.006 115.781 115.700 0.145 0.000 2.400 831 S HA -0.105 4.369 4.470 0.007 0.000 0.234 831 S C 1.560 176.255 174.600 0.159 0.000 1.049 831 S CA 1.693 60.005 58.200 0.186 0.000 1.039 831 S CB -1.104 62.444 63.200 0.580 0.000 0.856 831 S HN 1.554 nan 8.310 nan 0.000 0.465 832 G N -0.818 108.067 108.800 0.143 0.000 2.138 832 G HA2 -0.219 3.745 3.960 0.007 0.000 0.193 832 G HA3 -0.219 3.745 3.960 0.007 0.000 0.193 832 G C 0.192 175.026 174.900 -0.110 0.000 0.998 832 G CA 0.168 45.270 45.100 0.003 0.000 0.668 832 G HN 0.549 nan 8.290 nan 0.000 0.516 833 Y N 0.927 121.249 120.300 0.037 0.000 2.457 833 Y HA 0.183 4.738 4.550 0.007 0.000 0.263 833 Y C 1.984 177.874 175.900 -0.016 0.000 1.164 833 Y CA 0.667 58.766 58.100 -0.002 0.000 1.274 833 Y CB 0.457 38.887 38.460 -0.050 0.000 1.097 833 Y HN 0.450 nan 8.280 nan 0.000 0.523 834 N N -0.239 118.532 118.700 0.118 0.000 2.251 834 N HA 0.016 4.761 4.740 0.007 0.000 0.217 834 N C -0.219 175.329 175.510 0.062 0.000 1.124 834 N CA -0.005 53.088 53.050 0.072 0.000 0.843 834 N CB -0.025 38.500 38.487 0.064 0.000 1.024 834 N HN 0.317 nan 8.380 nan 0.000 0.501 835 Q N 0.807 120.639 119.800 0.054 0.000 2.306 835 Q HA 0.152 4.496 4.340 0.007 0.000 0.241 835 Q C -0.530 175.498 176.000 0.048 0.000 0.948 835 Q CA -0.312 55.526 55.803 0.059 0.000 0.886 835 Q CB 0.800 29.557 28.738 0.032 0.000 1.227 835 Q HN 0.257 nan 8.270 nan 0.000 0.457 836 E N 2.644 122.878 120.200 0.057 0.000 2.332 836 E HA -0.290 4.065 4.350 0.007 0.000 0.162 836 E C -1.235 175.387 176.600 0.036 0.000 1.637 836 E CA 0.359 56.781 56.400 0.035 0.000 0.654 836 E CB -1.029 28.677 29.700 0.009 0.000 1.072 836 E HN 0.673 nan 8.360 nan 0.000 0.336 837 D N -0.450 119.979 120.400 0.048 0.000 2.848 837 D HA -0.159 4.485 4.640 0.007 0.000 0.245 837 D C -0.691 175.640 176.300 0.052 0.000 1.122 837 D CA 1.699 55.730 54.000 0.051 0.000 0.769 837 D CB -1.344 39.482 40.800 0.043 0.000 1.025 837 D HN 0.493 nan 8.370 nan 0.000 0.423 838 S N -1.266 114.466 115.700 0.054 0.000 2.552 838 S HA 0.777 5.252 4.470 0.007 0.000 0.272 838 S C -0.569 174.051 174.600 0.034 0.000 1.150 838 S CA -1.168 57.062 58.200 0.050 0.000 0.849 838 S CB 2.933 66.163 63.200 0.049 0.000 1.113 838 S HN 0.428 nan 8.310 nan 0.000 0.458 839 M N 1.269 120.871 119.600 0.005 0.000 2.531 839 M HA 0.594 5.078 4.480 0.007 0.000 0.286 839 M C -1.808 174.439 176.300 -0.088 0.000 1.232 839 M CA -0.768 54.506 55.300 -0.043 0.000 0.877 839 M CB 1.341 33.886 32.600 -0.092 0.000 1.726 839 M HN 0.756 nan 8.290 nan 0.000 0.463 840 I N 2.960 123.470 120.570 -0.101 0.000 2.441 840 I HA 0.352 4.526 4.170 0.007 0.000 0.287 840 I C -0.150 175.863 176.117 -0.173 0.000 1.049 840 I CA -0.128 61.076 61.300 -0.161 0.000 1.381 840 I CB 1.090 39.001 38.000 -0.148 0.000 1.409 840 I HN 0.762 nan 8.210 nan 0.000 0.523 841 M N 6.255 125.746 119.600 -0.181 0.000 2.190 841 M HA 0.322 4.807 4.480 0.007 0.000 0.312 841 M C -0.538 175.707 176.300 -0.091 0.000 0.990 841 M CA -0.736 54.460 55.300 -0.174 0.000 0.927 841 M CB 1.442 33.893 32.600 -0.248 0.000 1.571 841 M HN 0.541 nan 8.290 nan 0.000 0.427 842 N N 3.382 122.051 118.700 -0.052 0.000 2.414 842 N HA -0.089 4.655 4.740 0.007 0.000 0.268 842 N C 0.399 175.913 175.510 0.005 0.000 1.286 842 N CA 0.680 53.736 53.050 0.009 0.000 0.896 842 N CB 1.077 39.574 38.487 0.018 0.000 1.093 842 N HN 0.787 nan 8.380 nan 0.000 0.480 843 Q N 2.638 122.456 119.800 0.030 0.000 2.167 843 Q HA -0.012 4.332 4.340 0.007 0.000 0.202 843 Q C 1.434 177.443 176.000 0.015 0.000 0.970 843 Q CA 1.500 57.315 55.803 0.021 0.000 0.855 843 Q CB -0.225 28.534 28.738 0.035 0.000 0.911 843 Q HN 0.692 nan 8.270 nan 0.000 0.438 844 S N -0.280 115.432 115.700 0.020 0.000 2.370 844 S HA -0.156 4.318 4.470 0.007 0.000 0.226 844 S C 1.869 176.466 174.600 -0.004 0.000 1.033 844 S CA 1.332 59.537 58.200 0.009 0.000 1.011 844 S CB -0.332 62.876 63.200 0.012 0.000 0.852 844 S HN 0.702 nan 8.310 nan 0.000 0.457 845 S N 1.407 117.102 115.700 -0.008 0.000 2.406 845 S HA 0.074 4.549 4.470 0.007 0.000 0.228 845 S C 1.754 176.342 174.600 -0.020 0.000 1.020 845 S CA 0.654 58.839 58.200 -0.026 0.000 0.965 845 S CB -0.573 62.605 63.200 -0.035 0.000 0.798 845 S HN 0.461 nan 8.310 nan 0.000 0.488 846 I N 2.496 123.064 120.570 -0.004 0.000 2.286 846 I HA -0.198 3.977 4.170 0.007 0.000 0.248 846 I C 2.062 178.181 176.117 0.002 0.000 1.115 846 I CA 1.451 62.758 61.300 0.010 0.000 1.392 846 I CB -0.502 37.506 38.000 0.015 0.000 1.065 846 I HN 0.200 nan 8.210 nan 0.000 0.418 847 D N 0.959 121.359 120.400 -0.000 0.000 2.084 847 D HA -0.149 4.495 4.640 0.007 0.000 0.194 847 D C 2.215 178.514 176.300 -0.002 0.000 0.990 847 D CA 1.235 55.235 54.000 0.000 0.000 0.826 847 D CB -0.382 40.419 40.800 0.001 0.000 0.971 847 D HN 0.249 nan 8.370 nan 0.000 0.453 848 R N -0.296 120.194 120.500 -0.016 0.000 2.293 848 R HA 0.054 4.398 4.340 0.007 0.000 0.219 848 R C 0.982 177.252 176.300 -0.049 0.000 1.091 848 R CA 0.868 56.946 56.100 -0.036 0.000 1.004 848 R CB 0.009 30.275 30.300 -0.055 0.000 0.865 848 R HN 0.276 nan 8.270 nan 0.000 0.469 849 G N 0.531 109.320 108.800 -0.019 0.000 2.186 849 G HA2 -0.181 3.783 3.960 0.007 0.000 0.130 849 G HA3 -0.181 3.783 3.960 0.007 0.000 0.130 849 G C -0.376 174.540 174.900 0.027 0.000 1.031 849 G CA -0.723 44.396 45.100 0.032 0.000 0.697 849 G HN 0.123 nan 8.290 nan 0.000 0.494 850 L N 0.239 121.453 121.223 -0.015 0.000 2.439 850 L HA 0.705 5.049 4.340 0.007 0.000 0.269 850 L C 1.324 178.242 176.870 0.080 0.000 1.179 850 L CA 0.282 55.092 54.840 -0.049 0.000 0.828 850 L CB -0.209 41.827 42.059 -0.038 0.000 1.106 850 L HN 0.458 nan 8.230 nan 0.000 0.467 851 F N 2.586 122.576 119.950 0.065 0.000 2.978 851 F HA -0.298 4.233 4.527 0.006 0.000 0.248 851 F C 0.847 176.673 175.800 0.044 0.000 0.994 851 F CA 0.529 58.591 58.000 0.102 0.000 0.849 851 F CB -1.043 38.087 39.000 0.216 0.000 0.737 851 F HN 0.514 nan 8.300 nan 0.000 0.800 852 R N 0.692 121.242 120.500 0.083 0.000 2.490 852 R HA 0.576 4.921 4.340 0.007 0.000 0.278 852 R C 0.304 176.570 176.300 -0.056 0.000 1.069 852 R CA 0.302 56.288 56.100 -0.191 0.000 1.080 852 R CB 1.517 31.370 30.300 -0.744 0.000 1.030 852 R HN 0.265 nan 8.270 nan 0.000 0.491 853 S N 2.055 117.728 115.700 -0.045 0.000 2.548 853 S HA 0.419 4.894 4.470 0.007 0.000 0.276 853 S C -0.364 174.371 174.600 0.225 0.000 1.129 853 S CA -1.030 57.269 58.200 0.164 0.000 0.931 853 S CB 1.254 64.517 63.200 0.105 0.000 1.068 853 S HN 0.371 nan 8.310 nan 0.000 0.480 854 L N 2.177 123.595 121.223 0.326 0.000 2.466 854 L HA 0.614 4.959 4.340 0.007 0.000 0.257 854 L C -0.645 176.387 176.870 0.270 0.000 1.189 854 L CA -0.638 54.362 54.840 0.267 0.000 0.813 854 L CB 0.534 42.783 42.059 0.317 0.000 1.118 854 L HN 0.764 nan 8.230 nan 0.000 0.471 855 F N 1.824 121.707 119.950 -0.111 0.000 2.617 855 F HA 0.461 4.991 4.527 0.006 0.000 0.325 855 F C -1.481 174.192 175.800 -0.213 0.000 1.179 855 F CA -1.400 56.567 58.000 -0.056 0.000 0.965 855 F CB 1.079 40.049 39.000 -0.050 0.000 1.232 855 F HN 0.060 nan 8.300 nan 0.000 0.461 856 F N 6.293 126.180 119.950 -0.106 0.000 2.434 856 F HA 0.506 5.039 4.527 0.009 0.000 0.367 856 F C 0.220 175.825 175.800 -0.326 0.000 1.093 856 F CA -0.511 57.366 58.000 -0.204 0.000 1.085 856 F CB 1.156 40.175 39.000 0.032 0.000 1.322 856 F HN 0.399 nan 8.300 nan 0.000 0.452 857 R N 1.485 121.726 120.500 -0.432 0.000 2.540 857 R HA 0.697 5.041 4.340 0.007 0.000 0.287 857 R C -0.499 175.749 176.300 -0.087 0.000 0.980 857 R CA -0.460 55.464 56.100 -0.293 0.000 0.966 857 R CB 1.523 31.552 30.300 -0.450 0.000 1.106 857 R HN 0.606 nan 8.270 nan 0.000 0.480 858 S N 2.819 118.443 115.700 -0.126 0.000 2.561 858 S HA 0.417 4.891 4.470 0.007 0.000 0.303 858 S C -1.349 173.190 174.600 -0.102 0.000 1.110 858 S CA -0.778 57.423 58.200 0.001 0.000 1.034 858 S CB 0.849 64.067 63.200 0.030 0.000 1.010 858 S HN 0.438 nan 8.310 nan 0.000 0.482 859 Y N 3.104 123.375 120.300 -0.048 0.000 2.342 859 Y HA 0.705 5.260 4.550 0.009 0.000 0.334 859 Y C 0.425 176.282 175.900 -0.073 0.000 1.067 859 Y CA -1.268 56.804 58.100 -0.047 0.000 1.128 859 Y CB 1.367 39.799 38.460 -0.046 0.000 1.200 859 Y HN 0.664 nan 8.280 nan 0.000 0.464 860 M N 2.955 122.589 119.600 0.057 0.000 2.550 860 M HA 0.487 4.972 4.480 0.007 0.000 0.292 860 M C -2.180 174.108 176.300 -0.020 0.000 1.221 860 M CA -0.278 54.986 55.300 -0.060 0.000 0.873 860 M CB 2.710 35.251 32.600 -0.098 0.000 1.727 860 M HN 0.863 nan 8.290 nan 0.000 0.459 861 D N 1.383 121.739 120.400 -0.073 0.000 2.648 861 D HA 0.433 5.077 4.640 0.007 0.000 0.244 861 D C -1.840 174.572 176.300 0.187 0.000 1.244 861 D CA -0.018 54.041 54.000 0.098 0.000 0.772 861 D CB 2.154 43.088 40.800 0.222 0.000 1.379 861 D HN 0.721 nan 8.370 nan 0.000 0.428 862 Q N 0.455 120.397 119.800 0.237 0.000 2.451 862 Q HA 0.435 4.779 4.340 0.007 0.000 0.281 862 Q C -0.940 175.092 176.000 0.053 0.000 1.099 862 Q CA -0.858 55.114 55.803 0.281 0.000 0.806 862 Q CB 2.702 31.620 28.738 0.301 0.000 1.419 862 Q HN 0.221 nan 8.270 nan 0.000 0.427 863 E N 1.569 121.784 120.200 0.026 0.000 2.115 863 E HA 0.218 4.572 4.350 0.007 0.000 0.282 863 E C -1.090 175.504 176.600 -0.010 0.000 0.987 863 E CA -0.321 56.017 56.400 -0.103 0.000 0.797 863 E CB 1.047 30.678 29.700 -0.115 0.000 1.086 863 E HN 0.127 nan 8.360 nan 0.000 0.397 864 K N 3.400 123.784 120.400 -0.027 0.000 2.263 864 K HA 0.223 4.547 4.320 0.007 0.000 0.272 864 K C 0.010 176.576 176.600 -0.057 0.000 1.033 864 K CA -0.494 55.764 56.287 -0.050 0.000 0.884 864 K CB 1.761 34.206 32.500 -0.092 0.000 1.107 864 K HN 0.239 nan 8.250 nan 0.000 0.460 865 K N 2.080 122.449 120.400 -0.052 0.000 2.140 865 K HA 0.182 4.506 4.320 0.007 0.000 0.237 865 K C -0.906 175.630 176.600 -0.107 0.000 1.045 865 K CA -0.054 56.245 56.287 0.020 0.000 0.896 865 K CB 0.462 32.979 32.500 0.028 0.000 1.122 865 K HN 0.366 nan 8.250 nan 0.000 0.503 866 Y N -2.035 118.269 120.300 0.008 0.000 2.545 866 Y HA 0.262 4.816 4.550 0.007 0.000 0.348 866 Y C 1.030 176.936 175.900 0.011 0.000 1.002 866 Y CA -0.525 57.581 58.100 0.009 0.000 1.039 866 Y CB 2.111 40.575 38.460 0.006 0.000 1.271 866 Y HN 0.811 nan 8.280 nan 0.000 0.467 867 G N 0.871 109.764 108.800 0.155 0.000 2.653 867 G HA2 -0.095 3.869 3.960 0.007 0.000 0.212 867 G HA3 -0.095 3.869 3.960 0.007 0.000 0.212 867 G C 0.437 175.392 174.900 0.092 0.000 1.138 867 G CA 0.604 45.761 45.100 0.095 0.000 0.782 867 G HN 0.543 nan 8.290 nan 0.000 0.535 868 M N 0.300 119.972 119.600 0.120 0.000 3.002 868 M HA 0.238 4.723 4.480 0.007 0.000 0.398 868 M C 0.408 176.747 176.300 0.065 0.000 1.366 868 M CA -0.308 55.035 55.300 0.071 0.000 0.824 868 M CB 0.912 33.539 32.600 0.045 0.000 1.414 868 M HN -0.006 nan 8.290 nan 0.000 0.501 869 S N 1.738 117.492 115.700 0.091 0.000 3.310 869 S HA -0.145 4.329 4.470 0.007 0.000 0.381 869 S C -0.136 174.501 174.600 0.061 0.000 0.908 869 S CA 0.557 58.804 58.200 0.078 0.000 1.333 869 S CB -1.177 62.050 63.200 0.046 0.000 0.931 869 S HN 0.610 nan 8.310 nan 0.000 0.570 870 I N 1.740 122.375 120.570 0.109 0.000 2.926 870 I HA 0.118 4.293 4.170 0.007 0.000 0.295 870 I C 0.596 176.808 176.117 0.158 0.000 1.463 870 I CA -0.374 60.933 61.300 0.012 0.000 0.892 870 I CB 1.021 38.865 38.000 -0.260 0.000 1.874 870 I HN 0.247 nan 8.210 nan 0.000 0.620 871 T N 1.131 115.766 114.554 0.134 0.000 2.766 871 T HA 0.237 4.592 4.350 0.007 0.000 0.295 871 T C 0.588 175.338 174.700 0.084 0.000 1.024 871 T CA -0.377 61.804 62.100 0.135 0.000 1.018 871 T CB 1.299 70.210 68.868 0.072 0.000 1.002 871 T HN 0.368 nan 8.240 nan 0.000 0.532 872 E N 0.051 120.277 120.200 0.044 0.000 3.188 872 E HA 0.529 4.883 4.350 0.007 0.000 0.262 872 E C -0.519 176.028 176.600 -0.088 0.000 1.341 872 E CA -0.643 55.739 56.400 -0.030 0.000 1.140 872 E CB 0.571 30.220 29.700 -0.084 0.000 1.306 872 E HN 0.494 nan 8.360 nan 0.000 0.694 873 T N 0.384 114.840 114.554 -0.164 0.000 3.435 873 T HA 0.263 4.618 4.350 0.007 0.000 0.344 873 T C -1.224 173.370 174.700 -0.175 0.000 1.211 873 T CA -0.668 61.350 62.100 -0.137 0.000 1.104 873 T CB 0.295 69.147 68.868 -0.027 0.000 1.196 873 T HN 0.218 nan 8.240 nan 0.000 0.471 874 F N 3.039 123.015 119.950 0.043 0.000 2.418 874 F HA 0.579 5.110 4.527 0.006 0.000 0.341 874 F C 1.200 177.021 175.800 0.034 0.000 1.120 874 F CA 0.107 58.130 58.000 0.039 0.000 1.232 874 F CB 0.808 39.827 39.000 0.033 0.000 1.175 874 F HN 0.701 nan 8.300 nan 0.000 0.569 875 E N -0.002 120.344 120.200 0.242 0.000 2.377 875 E HA 0.133 4.487 4.350 0.007 0.000 0.277 875 E C -1.888 174.786 176.600 0.123 0.000 1.190 875 E CA -1.294 55.191 56.400 0.141 0.000 0.917 875 E CB 0.881 30.635 29.700 0.089 0.000 1.296 875 E HN 0.473 nan 8.360 nan 0.000 0.417 876 K N 1.740 122.191 120.400 0.086 0.000 2.263 876 K HA 0.365 4.689 4.320 0.007 0.000 0.282 876 K C -2.329 174.283 176.600 0.019 0.000 1.089 876 K CA -1.662 54.673 56.287 0.079 0.000 0.907 876 K CB 0.497 33.037 32.500 0.066 0.000 1.148 876 K HN 0.247 nan 8.250 nan 0.000 0.470 877 P HA 0.174 nan 4.420 nan 0.000 0.276 877 P C -1.779 175.417 177.300 -0.173 0.000 1.244 877 P CA -0.488 62.554 63.100 -0.096 0.000 0.801 877 P CB 0.907 32.534 31.700 -0.121 0.000 1.006 878 Q N 0.615 120.332 119.800 -0.137 0.000 2.759 878 Q HA 0.447 4.791 4.340 0.007 0.000 0.225 878 Q C -0.331 175.606 176.000 -0.106 0.000 0.823 878 Q CA -0.904 54.815 55.803 -0.139 0.000 0.828 878 Q CB 1.348 30.031 28.738 -0.092 0.000 1.425 878 Q HN 0.108 nan 8.270 nan 0.000 0.449 879 R N 0.385 120.812 120.500 -0.121 0.000 3.676 879 R HA -0.189 4.155 4.340 0.007 0.000 0.537 879 R C -0.534 175.729 176.300 -0.062 0.000 0.241 879 R CA 1.493 57.542 56.100 -0.085 0.000 1.670 879 R CB -2.231 28.028 30.300 -0.068 0.000 0.948 879 R HN 1.361 nan 8.270 nan 0.000 0.589 880 T N 0.425 114.951 114.554 -0.046 0.000 3.284 880 T HA -0.098 4.256 4.350 0.007 0.000 0.429 880 T C 0.472 175.155 174.700 -0.029 0.000 0.770 880 T CA 0.933 63.012 62.100 -0.035 0.000 2.268 880 T CB -0.996 67.852 68.868 -0.034 0.000 1.717 880 T HN 0.707 nan 8.240 nan 0.000 0.724 881 N N -0.775 117.910 118.700 -0.025 0.000 1.961 881 N HA -0.243 4.502 4.740 0.007 0.000 0.215 881 N C 1.454 176.952 175.510 -0.019 0.000 0.579 881 N CA 2.717 55.754 53.050 -0.020 0.000 4.210 881 N CB -1.652 36.824 38.487 -0.018 0.000 0.734 881 N HN 0.668 nan 8.380 nan 0.000 0.239 882 T N -0.012 114.530 114.554 -0.021 0.000 2.976 882 T HA 0.343 4.697 4.350 0.007 0.000 0.257 882 T C 1.425 176.113 174.700 -0.019 0.000 1.051 882 T CA 1.114 63.204 62.100 -0.017 0.000 1.141 882 T CB 0.203 69.062 68.868 -0.016 0.000 0.881 882 T HN 0.396 nan 8.240 nan 0.000 0.461 883 L N -1.678 119.527 121.223 -0.030 0.000 3.271 883 L HA -0.235 4.110 4.340 0.007 0.000 0.385 883 L C 0.527 177.374 176.870 -0.038 0.000 0.696 883 L CA 1.006 55.823 54.840 -0.039 0.000 3.118 883 L CB -1.426 40.614 42.059 -0.032 0.000 0.639 883 L HN 0.207 nan 8.230 nan 0.000 0.752 884 R N 1.667 122.157 120.500 -0.017 0.000 2.486 884 R HA 0.291 4.635 4.340 0.007 0.000 0.303 884 R C 0.084 176.390 176.300 0.009 0.000 0.958 884 R CA 0.815 56.915 56.100 0.001 0.000 1.077 884 R CB 0.260 30.570 30.300 0.016 0.000 0.921 884 R HN 0.328 nan 8.270 nan 0.000 0.406 885 M N 1.299 120.913 119.600 0.022 0.000 3.502 885 M HA 0.419 4.904 4.480 0.007 0.000 0.310 885 M C -0.430 175.961 176.300 0.151 0.000 1.458 885 M CA -0.937 54.408 55.300 0.075 0.000 0.782 885 M CB 1.706 34.294 32.600 -0.020 0.000 1.942 885 M HN 0.254 nan 8.290 nan 0.000 0.438 886 K N -0.003 120.572 120.400 0.292 0.000 2.316 886 K HA 0.438 4.763 4.320 0.007 0.000 0.234 886 K C 0.397 177.159 176.600 0.270 0.000 1.054 886 K CA -0.596 55.864 56.287 0.289 0.000 0.879 886 K CB 1.002 33.620 32.500 0.197 0.000 1.252 886 K HN 0.708 nan 8.250 nan 0.000 0.471 887 H N -0.491 118.643 119.070 0.105 0.000 2.592 887 H HA 0.096 4.654 4.556 0.005 0.000 0.265 887 H C 0.937 176.303 175.328 0.063 0.000 0.955 887 H CA -0.015 56.086 56.048 0.089 0.000 1.175 887 H CB 0.782 30.573 29.762 0.048 0.000 1.433 887 H HN 0.621 nan 8.280 nan 0.000 0.537 888 G N 0.789 109.644 108.800 0.092 0.000 2.634 888 G HA2 0.048 4.012 3.960 0.007 0.000 0.255 888 G HA3 0.048 4.012 3.960 0.007 0.000 0.255 888 G C -0.129 174.751 174.900 -0.033 0.000 1.205 888 G CA -0.387 44.696 45.100 -0.028 0.000 0.884 888 G HN 0.066 nan 8.290 nan 0.000 0.549 889 T N 1.344 115.879 114.554 -0.033 0.000 2.775 889 T HA 0.085 4.440 4.350 0.007 0.000 0.287 889 T C 0.564 175.258 174.700 -0.010 0.000 0.909 889 T CA 0.184 62.298 62.100 0.024 0.000 1.081 889 T CB 0.100 68.976 68.868 0.013 0.000 0.891 889 T HN 0.412 nan 8.240 nan 0.000 0.544 890 Y N 1.083 121.382 120.300 -0.001 0.000 2.571 890 Y HA -0.038 4.514 4.550 0.003 0.000 0.294 890 Y C 2.077 177.973 175.900 -0.007 0.000 1.141 890 Y CA 0.405 58.503 58.100 -0.003 0.000 1.308 890 Y CB -0.002 38.458 38.460 -0.000 0.000 1.002 890 Y HN 0.573 nan 8.280 nan 0.000 0.551 891 D N 0.016 120.491 120.400 0.126 0.000 2.378 891 D HA -0.084 4.560 4.640 0.007 0.000 0.227 891 D C 1.216 177.537 176.300 0.035 0.000 1.012 891 D CA 0.692 54.736 54.000 0.073 0.000 0.905 891 D CB 0.007 40.838 40.800 0.053 0.000 0.895 891 D HN 0.437 nan 8.370 nan 0.000 0.532 892 K N -0.009 120.400 120.400 0.015 0.000 2.444 892 K HA 0.139 4.463 4.320 0.007 0.000 0.193 892 K C 0.847 177.439 176.600 -0.013 0.000 1.024 892 K CA 0.024 56.304 56.287 -0.012 0.000 1.077 892 K CB 0.856 33.332 32.500 -0.039 0.000 0.833 892 K HN 0.099 nan 8.250 nan 0.000 0.517 893 L N 1.051 122.281 121.223 0.011 0.000 2.399 893 L HA 0.071 4.415 4.340 0.007 0.000 0.266 893 L C 1.004 177.884 176.870 0.016 0.000 1.114 893 L CA -0.395 54.453 54.840 0.013 0.000 0.804 893 L CB 0.791 42.879 42.059 0.048 0.000 1.146 893 L HN 0.001 nan 8.230 nan 0.000 0.451 894 D N 0.184 120.587 120.400 0.005 0.000 2.165 894 D HA -0.053 4.591 4.640 0.007 0.000 0.213 894 D C 0.722 177.031 176.300 0.016 0.000 0.983 894 D CA 1.453 55.456 54.000 0.005 0.000 0.881 894 D CB 0.515 41.311 40.800 -0.006 0.000 1.028 894 D HN 0.766 nan 8.370 nan 0.000 0.457 895 D N -2.111 118.301 120.400 0.020 0.000 1.149 895 D HA -0.136 4.508 4.640 0.007 0.000 0.854 895 D C 0.568 176.892 176.300 0.041 0.000 0.417 895 D CA 0.633 54.652 54.000 0.031 0.000 1.373 895 D CB -0.489 40.324 40.800 0.023 0.000 1.015 895 D HN -0.052 nan 8.370 nan 0.000 0.406 896 D N 0.556 120.971 120.400 0.026 0.000 2.190 896 D HA 0.040 4.685 4.640 0.007 0.000 0.200 896 D C 1.780 178.108 176.300 0.047 0.000 0.992 896 D CA 2.175 56.192 54.000 0.028 0.000 0.854 896 D CB -0.492 40.302 40.800 -0.010 0.000 0.936 896 D HN 0.568 nan 8.370 nan 0.000 0.462 897 G N -1.182 107.636 108.800 0.031 0.000 2.273 897 G HA2 -0.073 3.891 3.960 0.007 0.000 0.162 897 G HA3 -0.073 3.891 3.960 0.007 0.000 0.162 897 G C -0.093 174.798 174.900 -0.015 0.000 1.006 897 G CA -0.034 45.103 45.100 0.062 0.000 0.704 897 G HN 0.359 nan 8.290 nan 0.000 0.487 898 L N 1.072 122.256 121.223 -0.065 0.000 2.323 898 L HA 0.731 5.076 4.340 0.007 0.000 0.265 898 L C 0.687 177.517 176.870 -0.067 0.000 1.012 898 L CA -1.575 53.207 54.840 -0.097 0.000 0.820 898 L CB 1.696 43.663 42.059 -0.153 0.000 1.334 898 L HN -0.013 nan 8.230 nan 0.000 0.427 899 I N 0.725 121.248 120.570 -0.079 0.000 2.945 899 I HA 0.432 4.606 4.170 0.007 0.000 0.292 899 I C 0.508 176.590 176.117 -0.058 0.000 1.093 899 I CA -0.408 60.852 61.300 -0.066 0.000 1.336 899 I CB 0.949 38.899 38.000 -0.084 0.000 1.435 899 I HN 0.636 nan 8.210 nan 0.000 0.593 900 A N 4.426 127.219 122.820 -0.044 0.000 2.290 900 A HA 0.486 4.810 4.320 0.007 0.000 0.310 900 A C -1.708 175.855 177.584 -0.035 0.000 1.202 900 A CA -1.553 50.463 52.037 -0.036 0.000 0.837 900 A CB 0.349 19.334 19.000 -0.026 0.000 1.139 900 A HN 0.545 nan 8.150 nan 0.000 0.509 901 P HA -0.231 nan 4.420 nan 0.000 0.219 901 P C 1.649 178.937 177.300 -0.019 0.000 1.151 901 P CA 2.210 65.298 63.100 -0.021 0.000 0.850 901 P CB 0.188 31.882 31.700 -0.010 0.000 0.784 902 G N -0.826 107.963 108.800 -0.018 0.000 2.422 902 G HA2 -0.122 3.842 3.960 0.007 0.000 0.218 902 G HA3 -0.122 3.842 3.960 0.007 0.000 0.218 902 G C 0.689 175.577 174.900 -0.020 0.000 1.146 902 G CA 0.364 45.455 45.100 -0.015 0.000 0.769 902 G HN 0.192 nan 8.290 nan 0.000 0.547 903 V N -0.555 119.343 119.914 -0.027 0.000 3.611 903 V HA 0.332 4.457 4.120 0.007 0.000 0.296 903 V C 0.683 176.754 176.094 -0.037 0.000 1.091 903 V CA -0.332 61.950 62.300 -0.031 0.000 1.103 903 V CB 0.958 32.759 31.823 -0.036 0.000 1.157 903 V HN 0.314 nan 8.190 nan 0.000 0.471 904 R N 0.674 121.151 120.500 -0.038 0.000 2.576 904 R HA 0.521 4.865 4.340 0.007 0.000 0.283 904 R C -0.984 175.289 176.300 -0.046 0.000 1.493 904 R CA -0.416 55.661 56.100 -0.038 0.000 1.170 904 R CB 1.304 31.589 30.300 -0.024 0.000 1.189 904 R HN 0.737 nan 8.270 nan 0.000 0.542 905 V N 1.362 121.238 119.914 -0.064 0.000 2.834 905 V HA 0.539 4.663 4.120 0.007 0.000 0.301 905 V C 0.562 176.625 176.094 -0.051 0.000 1.066 905 V CA 0.481 62.737 62.300 -0.073 0.000 1.052 905 V CB 1.582 33.336 31.823 -0.116 0.000 1.021 905 V HN 0.867 nan 8.190 nan 0.000 0.480 906 S N 2.417 118.091 115.700 -0.044 0.000 4.207 906 S HA 0.466 4.940 4.470 0.007 0.000 0.177 906 S C 1.303 175.894 174.600 -0.015 0.000 0.981 906 S CA 0.341 58.528 58.200 -0.022 0.000 1.097 906 S CB -0.175 63.016 63.200 -0.015 0.000 1.525 906 S HN 1.301 nan 8.310 nan 0.000 0.686 907 G N 1.010 109.800 108.800 -0.017 0.000 3.107 907 G HA2 0.307 4.271 3.960 0.007 0.000 0.155 907 G HA3 0.307 4.271 3.960 0.007 0.000 0.155 907 G C 0.016 174.905 174.900 -0.018 0.000 1.875 907 G CA -0.096 44.998 45.100 -0.010 0.000 1.004 907 G HN 0.540 nan 8.290 nan 0.000 0.480 908 E N 0.801 120.989 120.200 -0.021 0.000 2.405 908 E HA 0.190 4.544 4.350 0.007 0.000 0.214 908 E C -0.722 175.837 176.600 -0.069 0.000 1.101 908 E CA -0.311 56.070 56.400 -0.031 0.000 1.254 908 E CB 0.079 29.770 29.700 -0.015 0.000 1.240 908 E HN 0.354 nan 8.360 nan 0.000 0.439 909 D N -0.244 120.102 120.400 -0.089 0.000 2.362 909 D HA -0.004 4.640 4.640 0.007 0.000 0.238 909 D C -0.174 176.001 176.300 -0.208 0.000 1.212 909 D CA -0.028 53.888 54.000 -0.139 0.000 0.902 909 D CB 0.857 41.588 40.800 -0.116 0.000 1.180 909 D HN -0.130 nan 8.370 nan 0.000 0.445 910 V N 1.512 121.245 119.914 -0.302 0.000 2.465 910 V HA 0.180 4.304 4.120 0.007 0.000 0.279 910 V C 1.050 177.007 176.094 -0.228 0.000 1.045 910 V CA -0.251 61.844 62.300 -0.340 0.000 0.938 910 V CB 1.180 32.626 31.823 -0.628 0.000 0.986 910 V HN 0.511 nan 8.190 nan 0.000 0.467 911 I N 3.684 124.130 120.570 -0.208 0.000 4.187 911 I HA 0.350 4.524 4.170 0.007 0.000 0.326 911 I C 0.041 176.075 176.117 -0.138 0.000 1.302 911 I CA 0.735 61.905 61.300 -0.217 0.000 1.196 911 I CB 0.642 38.408 38.000 -0.389 0.000 1.095 911 I HN 0.458 nan 8.210 nan 0.000 0.411 912 I N 0.613 121.141 120.570 -0.069 0.000 2.571 912 I HA 0.301 4.476 4.170 0.007 0.000 0.286 912 I C -0.089 176.098 176.117 0.117 0.000 1.134 912 I CA -0.452 60.859 61.300 0.020 0.000 1.052 912 I CB 1.957 39.992 38.000 0.058 0.000 1.237 912 I HN -0.109 nan 8.210 nan 0.000 0.435 913 G N 5.447 114.349 108.800 0.169 0.000 2.320 913 G HA2 0.572 4.536 3.960 0.007 0.000 0.300 913 G HA3 0.572 4.536 3.960 0.007 0.000 0.300 913 G C -0.821 174.253 174.900 0.290 0.000 1.126 913 G CA -0.286 44.951 45.100 0.228 0.000 0.896 913 G HN 0.596 nan 8.290 nan 0.000 0.436 914 K N 1.381 121.901 120.400 0.200 0.000 2.550 914 K HA 0.568 4.892 4.320 0.007 0.000 0.252 914 K C -0.855 175.758 176.600 0.022 0.000 0.943 914 K CA -0.643 55.689 56.287 0.075 0.000 0.806 914 K CB 1.918 34.416 32.500 -0.003 0.000 1.289 914 K HN 0.577 nan 8.250 nan 0.000 0.435 915 T N -0.275 114.266 114.554 -0.022 0.000 2.908 915 T HA 0.529 4.883 4.350 0.007 0.000 0.290 915 T C -0.602 174.082 174.700 -0.026 0.000 1.034 915 T CA -0.701 61.394 62.100 -0.009 0.000 1.010 915 T CB 1.632 70.500 68.868 -0.000 0.000 1.068 915 T HN 0.425 nan 8.240 nan 0.000 0.481 916 T N 2.779 117.329 114.554 -0.007 0.000 2.809 916 T HA 0.522 4.876 4.350 0.007 0.000 0.296 916 T C -2.945 171.749 174.700 -0.010 0.000 1.015 916 T CA -1.484 60.616 62.100 0.001 0.000 0.954 916 T CB 1.049 69.933 68.868 0.026 0.000 0.950 916 T HN 0.400 nan 8.240 nan 0.000 0.450 917 P HA 0.470 nan 4.420 nan 0.000 0.286 917 P C -0.771 176.491 177.300 -0.064 0.000 1.321 917 P CA -0.281 62.798 63.100 -0.036 0.000 0.790 917 P CB 0.211 31.890 31.700 -0.035 0.000 0.897 918 I N 2.090 122.626 120.570 -0.057 0.000 2.500 918 I HA 0.157 4.331 4.170 0.007 0.000 0.286 918 I C 0.785 176.868 176.117 -0.057 0.000 1.063 918 I CA -0.712 60.542 61.300 -0.078 0.000 1.062 918 I CB 1.996 39.960 38.000 -0.060 0.000 1.223 918 I HN 0.288 nan 8.210 nan 0.000 0.435 934 K N 1.468 121.857 120.400 -0.019 0.000 2.865 934 K HA 0.240 4.564 4.320 0.007 0.000 0.259 934 K C -1.266 175.326 176.600 -0.014 0.000 1.236 934 K CA -0.279 55.997 56.287 -0.018 0.000 1.024 934 K CB 1.175 33.659 32.500 -0.027 0.000 1.344 934 K HN 0.632 nan 8.250 nan 0.000 0.558 935 R N 1.138 121.636 120.500 -0.004 0.000 2.265 935 R HA 0.292 4.636 4.340 0.007 0.000 0.319 935 R C -0.796 175.517 176.300 0.020 0.000 1.006 935 R CA -0.664 55.441 56.100 0.007 0.000 0.880 935 R CB 1.430 31.737 30.300 0.011 0.000 1.077 935 R HN 0.249 nan 8.270 nan 0.000 0.454 936 D N 3.069 123.489 120.400 0.035 0.000 2.312 936 D HA 0.148 4.792 4.640 0.007 0.000 0.252 936 D C -0.637 175.705 176.300 0.071 0.000 1.150 936 D CA -0.087 53.952 54.000 0.064 0.000 0.870 936 D CB 1.322 42.184 40.800 0.102 0.000 1.153 936 D HN 0.719 nan 8.370 nan 0.000 0.457 937 A N 3.285 126.146 122.820 0.068 0.000 2.985 937 A HA 0.317 4.642 4.320 0.007 0.000 0.303 937 A C -0.085 177.550 177.584 0.085 0.000 1.048 937 A CA -0.567 51.508 52.037 0.063 0.000 1.016 937 A CB 0.232 19.253 19.000 0.034 0.000 1.118 937 A HN 0.348 nan 8.150 nan 0.000 0.529 938 S N 0.504 116.270 115.700 0.111 0.000 2.585 938 S HA 0.501 4.976 4.470 0.007 0.000 0.277 938 S C 0.234 174.878 174.600 0.074 0.000 1.241 938 S CA -0.192 58.078 58.200 0.116 0.000 1.041 938 S CB 1.139 64.435 63.200 0.160 0.000 0.987 938 S HN 0.484 nan 8.310 nan 0.000 0.512 939 T N 5.078 119.667 114.554 0.059 0.000 2.762 939 T HA 0.393 4.748 4.350 0.007 0.000 0.303 939 T C -2.448 172.238 174.700 -0.023 0.000 0.977 939 T CA -1.340 60.790 62.100 0.050 0.000 0.961 939 T CB 0.698 69.624 68.868 0.097 0.000 0.944 939 T HN 0.357 nan 8.240 nan 0.000 0.481 940 P HA 0.280 nan 4.420 nan 0.000 0.276 940 P C 0.006 177.274 177.300 -0.052 0.000 1.244 940 P CA -0.954 62.100 63.100 -0.076 0.000 0.801 940 P CB 0.720 32.392 31.700 -0.045 0.000 1.006 941 L N 2.209 123.361 121.223 -0.119 0.000 2.506 941 L HA 0.046 4.390 4.340 0.007 0.000 0.281 941 L C 0.787 177.717 176.870 0.099 0.000 1.228 941 L CA 0.352 55.137 54.840 -0.093 0.000 0.850 941 L CB -0.310 41.678 42.059 -0.119 0.000 1.110 941 L HN 0.264 nan 8.230 nan 0.000 0.496 942 R N 2.968 123.630 120.500 0.271 0.000 2.561 942 R HA -0.049 4.295 4.340 0.007 0.000 0.347 942 R C 1.588 177.945 176.300 0.095 0.000 0.916 942 R CA 0.779 56.989 56.100 0.184 0.000 1.063 942 R CB -0.211 30.198 30.300 0.182 0.000 0.916 942 R HN 0.994 nan 8.270 nan 0.000 0.410 943 S N 1.783 117.517 115.700 0.057 0.000 2.409 943 S HA -0.237 4.237 4.470 0.007 0.000 0.237 943 S C 1.462 176.081 174.600 0.032 0.000 1.060 943 S CA 2.177 60.395 58.200 0.029 0.000 1.052 943 S CB -0.360 62.849 63.200 0.015 0.000 0.871 943 S HN 0.686 nan 8.310 nan 0.000 0.465 944 T N -1.143 113.434 114.554 0.038 0.000 3.206 944 T HA 0.438 4.793 4.350 0.007 0.000 0.253 944 T C 0.167 174.899 174.700 0.053 0.000 1.042 944 T CA -0.447 61.676 62.100 0.038 0.000 0.931 944 T CB -0.082 68.802 68.868 0.026 0.000 1.029 944 T HN 0.562 nan 8.240 nan 0.000 0.564 945 E N 1.776 122.019 120.200 0.071 0.000 2.412 945 E HA 0.598 4.952 4.350 0.007 0.000 0.255 945 E C -0.616 176.023 176.600 0.065 0.000 0.933 945 E CA -1.203 55.254 56.400 0.095 0.000 0.823 945 E CB 1.209 31.003 29.700 0.156 0.000 1.352 945 E HN 0.440 nan 8.360 nan 0.000 0.406 946 N N -0.677 118.062 118.700 0.066 0.000 3.049 946 N HA 0.449 5.193 4.740 0.007 0.000 0.244 946 N C -0.895 174.626 175.510 0.017 0.000 1.203 946 N CA -0.411 52.656 53.050 0.027 0.000 0.945 946 N CB 1.768 40.267 38.487 0.019 0.000 1.616 946 N HN 0.647 nan 8.380 nan 0.000 0.505 947 G N 0.309 109.099 108.800 -0.016 0.000 2.335 947 G HA2 0.389 4.353 3.960 0.007 0.000 0.291 947 G HA3 0.389 4.353 3.960 0.007 0.000 0.291 947 G C -1.947 172.919 174.900 -0.055 0.000 1.261 947 G CA -0.770 44.308 45.100 -0.037 0.000 0.871 947 G HN 0.545 nan 8.290 nan 0.000 0.491 948 I N 0.935 121.462 120.570 -0.071 0.000 2.465 948 I HA 0.394 4.568 4.170 0.007 0.000 0.291 948 I C 0.491 176.564 176.117 -0.074 0.000 1.014 948 I CA -1.034 60.228 61.300 -0.063 0.000 1.093 948 I CB 2.042 40.015 38.000 -0.045 0.000 1.267 948 I HN 0.307 nan 8.210 nan 0.000 0.431 949 V N 4.952 124.826 119.914 -0.067 0.000 2.928 949 V HA -0.095 4.029 4.120 0.007 0.000 0.307 949 V C 0.548 176.628 176.094 -0.023 0.000 1.105 949 V CA 0.699 62.966 62.300 -0.056 0.000 1.223 949 V CB 0.820 32.605 31.823 -0.063 0.000 0.930 949 V HN 0.871 nan 8.190 nan 0.000 0.499 950 D N 0.543 120.950 120.400 0.011 0.000 2.457 950 D HA 0.167 4.811 4.640 0.007 0.000 0.254 950 D C 0.321 176.656 176.300 0.058 0.000 1.097 950 D CA 0.300 54.336 54.000 0.060 0.000 0.870 950 D CB 0.672 41.569 40.800 0.161 0.000 1.253 950 D HN 0.643 nan 8.370 nan 0.000 0.500 951 Q N 0.211 120.035 119.800 0.040 0.000 2.774 951 Q HA 0.287 4.631 4.340 0.007 0.000 0.232 951 Q C -2.184 173.821 176.000 0.007 0.000 0.985 951 Q CA -0.440 55.377 55.803 0.024 0.000 1.058 951 Q CB 1.470 30.232 28.738 0.039 0.000 1.789 951 Q HN -0.084 nan 8.270 nan 0.000 0.487 952 V N 4.277 124.181 119.914 -0.015 0.000 2.680 952 V HA 0.711 4.836 4.120 0.007 0.000 0.309 952 V C -0.379 175.695 176.094 -0.034 0.000 1.052 952 V CA -0.729 61.549 62.300 -0.038 0.000 0.908 952 V CB 1.795 33.578 31.823 -0.066 0.000 1.001 952 V HN 0.686 nan 8.190 nan 0.000 0.431 953 L N 3.196 124.394 121.223 -0.042 0.000 2.401 953 L HA 1.010 5.354 4.340 0.007 0.000 0.266 953 L C -1.401 175.445 176.870 -0.040 0.000 0.991 953 L CA -0.683 54.145 54.840 -0.021 0.000 0.818 953 L CB 2.396 44.466 42.059 0.018 0.000 1.321 953 L HN 0.371 nan 8.230 nan 0.000 0.413 954 V N 1.550 121.459 119.914 -0.008 0.000 2.588 954 V HA 0.817 4.942 4.120 0.007 0.000 0.304 954 V C -0.119 176.031 176.094 0.093 0.000 1.042 954 V CA -0.069 62.235 62.300 0.006 0.000 0.877 954 V CB 1.719 33.520 31.823 -0.036 0.000 0.996 954 V HN 1.037 nan 8.190 nan 0.000 0.425 955 T N 1.200 115.870 114.554 0.194 0.000 2.762 955 T HA 0.405 4.759 4.350 0.007 0.000 0.301 955 T C -0.461 174.357 174.700 0.197 0.000 1.299 955 T CA -0.609 61.612 62.100 0.202 0.000 1.005 955 T CB 2.045 71.070 68.868 0.262 0.000 1.377 955 T HN 0.579 nan 8.240 nan 0.000 0.504 956 T N 2.586 117.194 114.554 0.091 0.000 2.882 956 T HA 0.466 4.820 4.350 0.007 0.000 0.287 956 T C -0.167 174.489 174.700 -0.073 0.000 0.992 956 T CA -0.373 61.750 62.100 0.039 0.000 1.076 956 T CB 0.300 69.176 68.868 0.014 0.000 0.961 956 T HN 0.524 nan 8.240 nan 0.000 0.490 957 N N 3.078 121.705 118.700 -0.121 0.000 2.706 957 N HA 0.190 4.934 4.740 0.007 0.000 0.240 957 N C 0.729 176.152 175.510 -0.144 0.000 1.039 957 N CA -0.212 52.666 53.050 -0.286 0.000 0.888 957 N CB 0.231 38.416 38.487 -0.504 0.000 1.128 957 N HN 0.492 nan 8.380 nan 0.000 0.512 958 Q N 0.686 120.423 119.800 -0.104 0.000 1.868 958 Q HA -0.336 4.008 4.340 0.007 0.000 0.171 958 Q C 0.393 176.376 176.000 -0.027 0.000 2.942 958 Q CA 2.649 58.421 55.803 -0.051 0.000 0.184 958 Q CB -1.325 27.385 28.738 -0.046 0.000 0.207 958 Q HN 0.745 nan 8.270 nan 0.000 0.359 959 D N -0.896 119.489 120.400 -0.024 0.000 2.097 959 D HA -0.014 4.630 4.640 0.007 0.000 0.197 959 D C 1.222 177.523 176.300 0.001 0.000 0.984 959 D CA 2.134 56.131 54.000 -0.006 0.000 0.826 959 D CB 0.085 40.884 40.800 -0.002 0.000 0.973 959 D HN 0.599 nan 8.370 nan 0.000 0.460 960 G N 0.051 108.853 108.800 0.002 0.000 2.165 960 G HA2 -0.104 3.860 3.960 0.007 0.000 0.144 960 G HA3 -0.104 3.860 3.960 0.007 0.000 0.144 960 G C -0.178 174.748 174.900 0.044 0.000 1.049 960 G CA -0.382 44.729 45.100 0.018 0.000 0.741 960 G HN 0.143 nan 8.290 nan 0.000 0.493 961 L N 0.551 121.806 121.223 0.053 0.000 2.350 961 L HA 0.556 4.900 4.340 0.007 0.000 0.275 961 L C 0.973 177.953 176.870 0.184 0.000 1.099 961 L CA -0.848 54.054 54.840 0.103 0.000 0.808 961 L CB 1.034 43.153 42.059 0.099 0.000 1.149 961 L HN 0.098 nan 8.230 nan 0.000 0.442 962 K N 2.277 122.815 120.400 0.231 0.000 2.436 962 K HA 0.255 4.579 4.320 0.007 0.000 0.275 962 K C -1.107 175.797 176.600 0.507 0.000 0.999 962 K CA 0.197 56.691 56.287 0.345 0.000 0.980 962 K CB 0.407 33.158 32.500 0.418 0.000 0.919 962 K HN 0.517 nan 8.250 nan 0.000 0.484 963 F N 4.212 124.300 119.950 0.230 0.000 2.881 963 F HA 0.276 4.808 4.527 0.009 0.000 0.348 963 F C -2.036 173.811 175.800 0.078 0.000 1.240 963 F CA -0.755 57.356 58.000 0.185 0.000 1.130 963 F CB 0.904 39.977 39.000 0.122 0.000 1.417 963 F HN 0.146 nan 8.300 nan 0.000 0.585 964 V N 6.194 125.864 119.914 -0.407 0.000 2.448 964 V HA 0.494 4.618 4.120 0.007 0.000 0.295 964 V C -0.699 175.139 176.094 -0.428 0.000 1.025 964 V CA -0.840 61.218 62.300 -0.404 0.000 0.859 964 V CB 2.078 33.626 31.823 -0.457 0.000 0.988 964 V HN 0.619 nan 8.190 nan 0.000 0.431 965 K N 3.967 124.182 120.400 -0.309 0.000 2.307 965 K HA 0.686 5.010 4.320 0.007 0.000 0.263 965 K C -1.206 175.349 176.600 -0.075 0.000 0.973 965 K CA -0.608 55.574 56.287 -0.175 0.000 0.846 965 K CB 2.349 34.775 32.500 -0.123 0.000 1.100 965 K HN 0.432 nan 8.250 nan 0.000 0.438 966 V N 2.860 122.764 119.914 -0.017 0.000 2.547 966 V HA 0.407 4.531 4.120 0.007 0.000 0.299 966 V C -0.053 176.099 176.094 0.098 0.000 1.040 966 V CA -0.897 61.407 62.300 0.007 0.000 0.913 966 V CB 1.486 33.283 31.823 -0.044 0.000 0.992 966 V HN 0.697 nan 8.190 nan 0.000 0.449 967 R N 3.426 123.973 120.500 0.077 0.000 2.352 967 R HA 0.570 4.915 4.340 0.007 0.000 0.304 967 R C -1.246 175.106 176.300 0.087 0.000 1.104 967 R CA -0.310 55.865 56.100 0.125 0.000 0.991 967 R CB 1.278 31.669 30.300 0.152 0.000 1.140 967 R HN 0.575 nan 8.270 nan 0.000 0.540 968 V N 4.177 124.134 119.914 0.073 0.000 2.811 968 V HA 0.282 4.406 4.120 0.007 0.000 0.302 968 V C 0.285 176.278 176.094 -0.169 0.000 1.063 968 V CA 0.030 62.307 62.300 -0.037 0.000 1.088 968 V CB 1.214 33.035 31.823 -0.003 0.000 0.982 968 V HN 0.643 nan 8.190 nan 0.000 0.485 969 R N 2.658 123.009 120.500 -0.249 0.000 2.538 969 R HA 0.495 4.839 4.340 0.007 0.000 0.292 969 R C -1.264 174.845 176.300 -0.317 0.000 1.008 969 R CA -0.303 55.499 56.100 -0.498 0.000 0.896 969 R CB 1.986 31.852 30.300 -0.723 0.000 1.187 969 R HN 0.771 nan 8.270 nan 0.000 0.440 970 T N 2.288 116.681 114.554 -0.269 0.000 2.856 970 T HA 0.323 4.678 4.350 0.007 0.000 0.283 970 T C -0.280 174.428 174.700 0.015 0.000 1.008 970 T CA -0.368 61.705 62.100 -0.046 0.000 0.997 970 T CB 1.832 70.776 68.868 0.128 0.000 0.992 970 T HN 0.419 nan 8.240 nan 0.000 0.454 971 T N 3.111 117.691 114.554 0.044 0.000 2.882 971 T HA 0.439 4.793 4.350 0.007 0.000 0.287 971 T C -0.227 174.500 174.700 0.046 0.000 0.992 971 T CA -0.485 61.664 62.100 0.082 0.000 1.076 971 T CB 0.461 69.389 68.868 0.100 0.000 0.961 971 T HN 0.365 nan 8.240 nan 0.000 0.490 972 K N 2.872 123.280 120.400 0.015 0.000 2.397 972 K HA 0.578 4.902 4.320 0.007 0.000 0.253 972 K C -0.929 175.639 176.600 -0.053 0.000 0.932 972 K CA -0.629 55.648 56.287 -0.016 0.000 0.795 972 K CB 2.094 34.576 32.500 -0.029 0.000 1.159 972 K HN 0.461 nan 8.250 nan 0.000 0.424 973 I N 3.608 124.157 120.570 -0.035 0.000 2.441 973 I HA 0.250 4.424 4.170 0.007 0.000 0.295 973 I C -2.130 174.002 176.117 0.025 0.000 0.994 973 I CA -2.726 58.560 61.300 -0.022 0.000 1.144 973 I CB 2.129 40.113 38.000 -0.026 0.000 1.314 973 I HN 0.291 nan 8.210 nan 0.000 0.445 974 P HA -0.086 nan 4.420 nan 0.000 0.212 974 P C -0.444 176.919 177.300 0.104 0.000 1.069 974 P CA 0.716 63.917 63.100 0.168 0.000 1.331 974 P CB -0.131 31.685 31.700 0.193 0.000 1.513 975 Q N 1.381 121.227 119.800 0.077 0.000 2.204 975 Q HA 0.265 4.609 4.340 0.007 0.000 0.175 975 Q C 1.112 177.142 176.000 0.050 0.000 1.020 975 Q CA -0.782 55.046 55.803 0.042 0.000 1.078 975 Q CB 0.545 29.293 28.738 0.016 0.000 1.228 975 Q HN 0.134 nan 8.270 nan 0.000 0.550 976 I N -0.289 120.296 120.570 0.026 0.000 2.500 976 I HA 0.014 4.188 4.170 0.007 0.000 0.252 976 I C 1.474 177.609 176.117 0.030 0.000 1.142 976 I CA 1.553 62.865 61.300 0.021 0.000 1.451 976 I CB -0.162 37.845 38.000 0.010 0.000 1.093 976 I HN 0.688 nan 8.210 nan 0.000 0.430 977 G N -0.972 107.841 108.800 0.021 0.000 2.887 977 G HA2 -0.021 3.943 3.960 0.007 0.000 0.211 977 G HA3 -0.021 3.943 3.960 0.007 0.000 0.211 977 G C 0.332 175.233 174.900 0.003 0.000 1.152 977 G CA -0.191 44.916 45.100 0.012 0.000 0.769 977 G HN 0.289 nan 8.290 nan 0.000 0.541 978 D N 0.380 120.785 120.400 0.010 0.000 2.419 978 D HA 0.283 4.927 4.640 0.007 0.000 0.236 978 D C 0.373 176.625 176.300 -0.081 0.000 1.165 978 D CA 0.598 54.557 54.000 -0.069 0.000 0.882 978 D CB 0.986 41.748 40.800 -0.063 0.000 1.201 978 D HN 0.138 nan 8.370 nan 0.000 0.443 979 K N 0.933 121.123 120.400 -0.349 0.000 2.259 979 K HA 0.571 4.895 4.320 0.007 0.000 0.249 979 K C -1.470 174.739 176.600 -0.652 0.000 0.942 979 K CA -0.573 55.557 56.287 -0.261 0.000 0.816 979 K CB 0.807 33.210 32.500 -0.162 0.000 1.155 979 K HN 0.269 nan 8.250 nan 0.000 0.428 980 F N 0.579 120.484 119.950 -0.074 0.000 2.643 980 F HA 0.697 5.227 4.527 0.007 0.000 0.314 980 F C -0.754 175.074 175.800 0.046 0.000 1.096 980 F CA -0.819 57.137 58.000 -0.073 0.000 0.953 980 F CB 2.429 41.336 39.000 -0.155 0.000 1.345 980 F HN 0.579 nan 8.300 nan 0.000 0.468 981 A N 0.709 123.688 122.820 0.264 0.000 2.513 981 A HA 0.634 4.958 4.320 0.007 0.000 0.296 981 A C -0.414 177.117 177.584 -0.088 0.000 1.052 981 A CA -0.400 51.723 52.037 0.144 0.000 0.714 981 A CB 0.955 20.001 19.000 0.078 0.000 1.279 981 A HN 0.950 nan 8.150 nan 0.000 0.397 982 S N 1.809 117.213 115.700 -0.494 0.000 2.647 982 S HA 0.262 4.736 4.470 0.007 0.000 0.251 982 S C 0.469 174.929 174.600 -0.232 0.000 1.320 982 S CA 0.106 57.846 58.200 -0.767 0.000 0.968 982 S CB 0.084 62.829 63.200 -0.758 0.000 1.005 982 S HN 0.663 nan 8.310 nan 0.000 0.576 983 R N 0.480 120.845 120.500 -0.224 0.000 3.179 983 R HA 0.314 4.658 4.340 0.007 0.000 0.317 983 R C -0.208 175.721 176.300 -0.618 0.000 1.331 983 R CA -0.121 55.787 56.100 -0.321 0.000 1.184 983 R CB -0.230 29.881 30.300 -0.315 0.000 1.408 983 R HN 0.614 nan 8.270 nan 0.000 0.598 984 H N -1.178 117.905 119.070 0.021 0.000 3.043 984 H HA 0.145 4.705 4.556 0.007 0.000 0.244 984 H C 0.892 176.249 175.328 0.048 0.000 1.199 984 H CA 0.211 56.288 56.048 0.050 0.000 0.956 984 H CB 1.434 31.250 29.762 0.091 0.000 2.305 984 H HN 0.491 nan 8.280 nan 0.000 0.665 985 G N 2.037 110.913 108.800 0.127 0.000 2.180 985 G HA2 -0.355 3.610 3.960 0.007 0.000 0.263 985 G HA3 -0.355 3.610 3.960 0.007 0.000 0.263 985 G C 0.541 175.513 174.900 0.120 0.000 0.989 985 G CA 0.655 45.839 45.100 0.140 0.000 0.692 985 G HN 0.375 nan 8.290 nan 0.000 0.526 986 Q N 1.206 121.081 119.800 0.125 0.000 2.641 986 Q HA 0.415 4.759 4.340 0.007 0.000 0.225 986 Q C 1.251 177.329 176.000 0.130 0.000 1.309 986 Q CA 0.148 56.017 55.803 0.110 0.000 0.935 986 Q CB -0.104 28.707 28.738 0.122 0.000 1.557 986 Q HN 0.751 nan 8.270 nan 0.000 0.563 987 K N 0.964 121.434 120.400 0.116 0.000 2.868 987 K HA 0.848 5.173 4.320 0.007 0.000 0.304 987 K C -0.018 176.660 176.600 0.131 0.000 1.007 987 K CA -0.452 55.909 56.287 0.123 0.000 1.123 987 K CB 0.180 32.732 32.500 0.087 0.000 1.408 987 K HN 0.450 nan 8.250 nan 0.000 0.522 988 G N -0.480 108.385 108.800 0.108 0.000 2.428 988 G HA2 0.089 4.054 3.960 0.007 0.000 0.681 988 G HA3 0.089 4.054 3.960 0.007 0.000 0.681 988 G C -0.858 174.116 174.900 0.123 0.000 1.340 988 G CA -0.397 44.762 45.100 0.098 0.000 0.915 988 G HN 0.915 nan 8.290 nan 0.000 0.645 989 T N -1.275 113.337 114.554 0.096 0.000 2.912 989 T HA 0.729 5.083 4.350 0.007 0.000 0.288 989 T C 0.696 175.456 174.700 0.100 0.000 1.030 989 T CA -0.805 61.368 62.100 0.122 0.000 1.020 989 T CB 1.428 70.334 68.868 0.063 0.000 1.056 989 T HN 0.942 nan 8.240 nan 0.000 0.480 990 I N 2.309 122.952 120.570 0.123 0.000 2.828 990 I HA 0.178 4.352 4.170 0.007 0.000 0.292 990 I C 1.511 177.643 176.117 0.025 0.000 1.206 990 I CA 0.403 61.720 61.300 0.028 0.000 1.420 990 I CB 0.377 38.393 38.000 0.027 0.000 1.368 990 I HN 1.040 nan 8.210 nan 0.000 0.556 991 G N 7.302 116.109 108.800 0.011 0.000 3.277 991 G HA2 0.445 4.409 3.960 0.007 0.000 0.243 991 G HA3 0.445 4.409 3.960 0.007 0.000 0.243 991 G C 0.209 175.119 174.900 0.017 0.000 1.107 991 G CA 0.086 45.218 45.100 0.053 0.000 0.771 991 G HN 0.576 nan 8.290 nan 0.000 0.544 992 I N -0.112 120.402 120.570 -0.094 0.000 2.397 992 I HA 0.156 4.331 4.170 0.007 0.000 0.311 992 I C -1.474 174.490 176.117 -0.255 0.000 2.151 992 I CA -0.678 60.486 61.300 -0.226 0.000 0.931 992 I CB 1.609 39.315 38.000 -0.489 0.000 1.653 992 I HN 0.060 nan 8.210 nan 0.000 0.634 993 T N 2.553 116.999 114.554 -0.180 0.000 2.792 993 T HA 0.685 5.039 4.350 0.007 0.000 0.280 993 T C -1.089 173.653 174.700 0.071 0.000 0.990 993 T CA -0.502 61.542 62.100 -0.094 0.000 0.960 993 T CB 1.085 69.938 68.868 -0.025 0.000 0.939 993 T HN 0.316 nan 8.240 nan 0.000 0.439 994 Y N 1.330 121.629 120.300 -0.001 0.000 2.534 994 Y HA 0.654 5.208 4.550 0.007 0.000 0.329 994 Y C 1.027 176.941 175.900 0.025 0.000 1.154 994 Y CA -2.049 56.065 58.100 0.024 0.000 1.192 994 Y CB 1.452 39.973 38.460 0.102 0.000 1.275 994 Y HN 0.640 nan 8.280 nan 0.000 0.491 995 R N 0.047 120.657 120.500 0.184 0.000 2.549 995 R HA 0.370 4.715 4.340 0.007 0.000 0.259 995 R C 1.389 177.751 176.300 0.105 0.000 1.095 995 R CA -0.742 55.416 56.100 0.097 0.000 1.148 995 R CB 0.883 31.207 30.300 0.039 0.000 1.181 995 R HN 0.658 nan 8.270 nan 0.000 0.571 996 R N 0.915 121.456 120.500 0.068 0.000 2.117 996 R HA -0.238 4.106 4.340 0.007 0.000 0.243 996 R C 1.503 177.850 176.300 0.078 0.000 1.143 996 R CA 2.134 58.276 56.100 0.070 0.000 0.968 996 R CB -0.043 30.275 30.300 0.031 0.000 0.863 996 R HN 0.599 nan 8.270 nan 0.000 0.444 997 E N 0.202 120.427 120.200 0.041 0.000 2.031 997 E HA -0.171 4.183 4.350 0.007 0.000 0.193 997 E C 1.319 177.975 176.600 0.094 0.000 0.994 997 E CA 1.457 57.873 56.400 0.027 0.000 0.800 997 E CB -0.112 29.574 29.700 -0.024 0.000 0.752 997 E HN 0.307 nan 8.360 nan 0.000 0.447 998 D N -0.224 120.213 120.400 0.062 0.000 2.363 998 D HA 0.019 4.663 4.640 0.007 0.000 0.220 998 D C 0.323 176.858 176.300 0.392 0.000 0.994 998 D CA 0.348 54.394 54.000 0.077 0.000 0.890 998 D CB -0.043 40.610 40.800 -0.245 0.000 0.906 998 D HN 0.119 nan 8.370 nan 0.000 0.530 999 M N 0.962 120.775 119.600 0.355 0.000 2.247 999 M HA 0.268 4.752 4.480 0.007 0.000 0.326 999 M C -2.444 174.051 176.300 0.326 0.000 1.134 999 M CA -1.976 53.541 55.300 0.362 0.000 1.136 999 M CB 1.170 33.908 32.600 0.230 0.000 1.454 999 M HN -0.324 nan 8.290 nan 0.000 0.467 1000 P HA 0.227 nan 4.420 nan 0.000 0.287 1000 P C -1.483 175.830 177.300 0.021 0.000 1.307 1000 P CA -0.202 62.884 63.100 -0.022 0.000 0.777 1000 P CB -0.350 31.129 31.700 -0.367 0.000 0.883 1001 F N 0.583 120.562 119.950 0.049 0.000 2.403 1001 F HA 0.762 5.293 4.527 0.007 0.000 0.326 1001 F C 0.653 176.464 175.800 0.018 0.000 1.081 1001 F CA -0.987 57.022 58.000 0.014 0.000 1.041 1001 F CB 0.493 39.508 39.000 0.026 0.000 1.234 1001 F HN 0.159 nan 8.300 nan 0.000 0.503 1002 T N 0.348 114.933 114.554 0.052 0.000 2.927 1002 T HA 0.521 4.875 4.350 0.007 0.000 0.281 1002 T C 1.178 176.022 174.700 0.241 0.000 0.998 1002 T CA -0.190 61.917 62.100 0.012 0.000 1.019 1002 T CB 1.297 70.058 68.868 -0.179 0.000 1.061 1002 T HN 0.956 nan 8.240 nan 0.000 0.518 1003 A N 2.031 125.014 122.820 0.270 0.000 1.917 1003 A HA -0.114 4.210 4.320 0.007 0.000 0.219 1003 A C 2.157 179.811 177.584 0.117 0.000 1.182 1003 A CA 2.017 54.176 52.037 0.203 0.000 0.633 1003 A CB -0.980 18.133 19.000 0.187 0.000 0.819 1003 A HN 0.953 nan 8.150 nan 0.000 0.448 1004 E N -1.767 118.495 120.200 0.104 0.000 2.136 1004 E HA -0.238 4.117 4.350 0.007 0.000 0.208 1004 E C 1.590 178.239 176.600 0.083 0.000 1.035 1004 E CA 1.844 58.299 56.400 0.091 0.000 0.838 1004 E CB -0.452 29.324 29.700 0.126 0.000 0.748 1004 E HN 1.014 nan 8.360 nan 0.000 0.459 1005 G N -0.140 108.730 108.800 0.117 0.000 2.205 1005 G HA2 -0.204 3.760 3.960 0.007 0.000 0.180 1005 G HA3 -0.204 3.760 3.960 0.007 0.000 0.180 1005 G C 0.461 175.421 174.900 0.100 0.000 1.004 1005 G CA 0.179 45.331 45.100 0.086 0.000 0.670 1005 G HN 0.184 nan 8.290 nan 0.000 0.496 1006 I N 0.160 120.804 120.570 0.123 0.000 3.138 1006 I HA 0.573 4.748 4.170 0.007 0.000 0.288 1006 I C 0.652 176.880 176.117 0.184 0.000 1.148 1006 I CA -0.645 60.743 61.300 0.147 0.000 1.315 1006 I CB 1.201 39.324 38.000 0.205 0.000 1.426 1006 I HN -0.033 nan 8.210 nan 0.000 0.615 1007 V N 3.139 123.183 119.914 0.217 0.000 3.012 1007 V HA 0.446 4.570 4.120 0.007 0.000 0.307 1007 V C -2.409 173.839 176.094 0.257 0.000 1.166 1007 V CA -1.337 61.108 62.300 0.241 0.000 0.974 1007 V CB 2.856 34.782 31.823 0.170 0.000 1.040 1007 V HN 0.640 nan 8.190 nan 0.000 0.428 1008 P HA 0.410 nan 4.420 nan 0.000 0.279 1008 P C -0.645 176.647 177.300 -0.013 0.000 1.252 1008 P CA -0.153 62.989 63.100 0.070 0.000 0.811 1008 P CB 1.136 32.869 31.700 0.056 0.000 1.035 1009 D N 0.048 120.391 120.400 -0.095 0.000 2.367 1009 D HA 0.166 4.810 4.640 0.007 0.000 0.207 1009 D C 0.147 176.356 176.300 -0.152 0.000 1.034 1009 D CA 0.752 54.693 54.000 -0.098 0.000 0.861 1009 D CB 0.383 41.120 40.800 -0.104 0.000 0.943 1009 D HN 0.119 nan 8.370 nan 0.000 0.515 1010 L N 0.584 121.692 121.223 -0.192 0.000 2.513 1010 L HA 0.392 4.736 4.340 0.007 0.000 0.261 1010 L C -1.647 175.105 176.870 -0.196 0.000 0.945 1010 L CA -0.392 54.294 54.840 -0.256 0.000 0.848 1010 L CB 2.646 44.450 42.059 -0.426 0.000 1.334 1010 L HN -0.222 nan 8.230 nan 0.000 0.407 1011 I N 5.790 126.270 120.570 -0.150 0.000 2.563 1011 I HA 0.394 4.568 4.170 0.007 0.000 0.276 1011 I C -0.346 175.740 176.117 -0.051 0.000 1.074 1011 I CA -0.402 60.848 61.300 -0.083 0.000 1.124 1011 I CB 0.934 38.900 38.000 -0.057 0.000 1.225 1011 I HN 0.432 nan 8.210 nan 0.000 0.482 1012 I N 1.690 122.239 120.570 -0.035 0.000 2.713 1012 I HA 0.442 4.616 4.170 0.007 0.000 0.300 1012 I C 0.400 176.524 176.117 0.012 0.000 1.009 1012 I CA -0.592 60.709 61.300 0.003 0.000 1.305 1012 I CB 0.596 38.624 38.000 0.046 0.000 1.430 1012 I HN 0.400 nan 8.210 nan 0.000 0.546 1013 N N 3.946 122.655 118.700 0.014 0.000 2.444 1013 N HA 0.251 4.995 4.740 0.007 0.000 0.271 1013 N C -1.896 173.577 175.510 -0.062 0.000 1.069 1013 N CA -1.963 51.082 53.050 -0.009 0.000 0.965 1013 N CB 1.509 40.021 38.487 0.042 0.000 1.092 1013 N HN 0.363 nan 8.380 nan 0.000 0.476 1014 P HA -0.127 nan 4.420 nan 0.000 0.221 1014 P C 0.447 177.631 177.300 -0.193 0.000 1.141 1014 P CA 1.165 64.155 63.100 -0.184 0.000 0.794 1014 P CB 0.089 31.647 31.700 -0.236 0.000 0.764 1015 H N -1.540 117.522 119.070 -0.014 0.000 2.555 1015 H HA 0.246 4.806 4.556 0.007 0.000 0.269 1015 H C 1.375 176.682 175.328 -0.036 0.000 0.988 1015 H CA 0.662 56.697 56.048 -0.022 0.000 1.178 1015 H CB -0.261 29.493 29.762 -0.013 0.000 1.373 1015 H HN 0.087 nan 8.280 nan 0.000 0.588 1016 A N 0.654 123.496 122.820 0.036 0.000 2.476 1016 A HA 0.179 4.504 4.320 0.007 0.000 0.263 1016 A C 1.311 178.848 177.584 -0.078 0.000 1.342 1016 A CA 0.027 52.055 52.037 -0.016 0.000 0.926 1016 A CB -0.338 18.646 19.000 -0.026 0.000 1.019 1016 A HN 0.104 nan 8.150 nan 0.000 0.515 1017 I N -0.873 119.658 120.570 -0.064 0.000 4.083 1017 I HA 0.124 4.298 4.170 0.007 0.000 0.240 1017 I C -0.958 175.125 176.117 -0.056 0.000 1.088 1017 I CA -0.215 61.029 61.300 -0.092 0.000 1.651 1017 I CB -1.697 36.232 38.000 -0.118 0.000 1.573 1017 I HN -0.009 nan 8.210 nan 0.000 0.451 1018 P HA -0.213 nan 4.420 nan 0.000 0.217 1018 P C 2.038 179.326 177.300 -0.021 0.000 1.162 1018 P CA 2.438 65.527 63.100 -0.019 0.000 0.901 1018 P CB 0.035 31.741 31.700 0.009 0.000 0.793 1019 S N -0.953 114.739 115.700 -0.013 0.000 2.353 1019 S HA -0.222 4.252 4.470 0.007 0.000 0.222 1019 S C 1.947 176.523 174.600 -0.040 0.000 1.035 1019 S CA 1.498 59.684 58.200 -0.023 0.000 1.025 1019 S CB -0.486 62.703 63.200 -0.018 0.000 0.902 1019 S HN 0.054 nan 8.310 nan 0.000 0.440 1020 R N -0.142 120.329 120.500 -0.049 0.000 2.100 1020 R HA 0.276 4.620 4.340 0.007 0.000 0.220 1020 R C 0.475 176.736 176.300 -0.065 0.000 1.091 1020 R CA 0.803 56.861 56.100 -0.069 0.000 0.986 1020 R CB -0.293 29.962 30.300 -0.074 0.000 0.888 1020 R HN 0.444 nan 8.270 nan 0.000 0.444 1021 M N 1.226 120.790 119.600 -0.060 0.000 2.625 1021 M HA -0.135 4.349 4.480 0.007 0.000 0.198 1021 M C -0.382 175.885 176.300 -0.055 0.000 0.799 1021 M CA 0.511 55.779 55.300 -0.054 0.000 0.606 1021 M CB -1.483 31.094 32.600 -0.039 0.000 1.610 1021 M HN 0.138 nan 8.290 nan 0.000 0.842 1022 T N -0.235 114.271 114.554 -0.081 0.000 3.029 1022 T HA 0.545 4.899 4.350 0.007 0.000 0.346 1022 T C 0.754 175.373 174.700 -0.135 0.000 1.211 1022 T CA -0.435 61.607 62.100 -0.096 0.000 1.009 1022 T CB 0.410 69.215 68.868 -0.105 0.000 1.084 1022 T HN 0.288 nan 8.240 nan 0.000 0.536 1023 V N 4.051 123.910 119.914 -0.091 0.000 3.235 1023 V HA 0.166 4.290 4.120 0.007 0.000 0.259 1023 V C 2.802 178.809 176.094 -0.145 0.000 1.133 1023 V CA 1.087 63.324 62.300 -0.105 0.000 1.128 1023 V CB -0.902 30.891 31.823 -0.050 0.000 0.757 1023 V HN 0.862 nan 8.190 nan 0.000 0.469 1024 A N 0.013 122.761 122.820 -0.120 0.000 1.930 1024 A HA -0.254 4.070 4.320 0.007 0.000 0.217 1024 A C 2.230 179.683 177.584 -0.219 0.000 1.175 1024 A CA 1.814 53.803 52.037 -0.080 0.000 0.627 1024 A CB -0.819 18.319 19.000 0.229 0.000 0.815 1024 A HN 0.638 nan 8.150 nan 0.000 0.443 1025 H N 0.574 119.183 119.070 -0.768 0.000 2.319 1025 H HA -0.121 4.439 4.556 0.007 0.000 0.297 1025 H C 1.833 177.094 175.328 -0.113 0.000 1.097 1025 H CA 2.183 57.909 56.048 -0.537 0.000 1.285 1025 H CB -0.392 29.085 29.762 -0.474 0.000 1.368 1025 H HN 0.417 nan 8.280 nan 0.000 0.495 1026 L N 0.060 121.349 121.223 0.110 0.000 2.083 1026 L HA -0.176 4.168 4.340 0.007 0.000 0.209 1026 L C 2.916 179.814 176.870 0.047 0.000 1.083 1026 L CA 1.202 56.072 54.840 0.050 0.000 0.752 1026 L CB -0.334 41.576 42.059 -0.248 0.000 0.899 1026 L HN 0.230 nan 8.230 nan 0.000 0.433 1027 I N -0.719 119.784 120.570 -0.111 0.000 2.333 1027 I HA -0.212 3.962 4.170 0.007 0.000 0.246 1027 I C 2.618 178.698 176.117 -0.060 0.000 1.106 1027 I CA 0.919 62.084 61.300 -0.226 0.000 1.411 1027 I CB -0.354 37.249 38.000 -0.662 0.000 1.082 1027 I HN 0.314 nan 8.210 nan 0.000 0.420 1028 E N 0.600 120.845 120.200 0.075 0.000 2.130 1028 E HA -0.326 4.029 4.350 0.007 0.000 0.196 1028 E C 2.324 178.981 176.600 0.096 0.000 0.998 1028 E CA 1.853 58.368 56.400 0.192 0.000 0.806 1028 E CB -0.066 29.762 29.700 0.213 0.000 0.738 1028 E HN 0.598 nan 8.360 nan 0.000 0.459 1029 C N -0.073 119.269 119.300 0.070 0.000 2.486 1029 C HA -0.005 4.459 4.460 0.007 0.000 0.279 1029 C C 2.626 177.614 174.990 -0.003 0.000 1.302 1029 C CA 0.470 59.501 59.018 0.022 0.000 1.720 1029 C CB -1.062 26.713 27.740 0.059 0.000 2.030 1029 C HN 0.570 nan 8.230 nan 0.000 0.490 1030 L N 0.922 122.206 121.223 0.101 0.000 2.046 1030 L HA -0.001 4.343 4.340 0.007 0.000 0.208 1030 L C 2.212 179.092 176.870 0.018 0.000 1.077 1030 L CA 1.937 56.815 54.840 0.063 0.000 0.747 1030 L CB -0.966 41.156 42.059 0.104 0.000 0.896 1030 L HN 0.423 nan 8.230 nan 0.000 0.432 1031 L N -1.132 120.114 121.223 0.038 0.000 1.988 1031 L HA -0.153 4.192 4.340 0.007 0.000 0.207 1031 L C 2.499 179.389 176.870 0.033 0.000 1.071 1031 L CA 2.114 56.994 54.840 0.066 0.000 0.744 1031 L CB -1.045 41.117 42.059 0.173 0.000 0.893 1031 L HN 0.250 nan 8.230 nan 0.000 0.433 1032 S N -0.505 115.210 115.700 0.026 0.000 2.402 1032 S HA -0.272 4.202 4.470 0.007 0.000 0.233 1032 S C 1.975 176.540 174.600 -0.059 0.000 1.030 1032 S CA 1.661 59.855 58.200 -0.009 0.000 1.003 1032 S CB -0.383 62.816 63.200 -0.001 0.000 0.813 1032 S HN 0.434 nan 8.310 nan 0.000 0.477 1033 K N 0.866 121.214 120.400 -0.087 0.000 2.057 1033 K HA -0.056 4.269 4.320 0.007 0.000 0.207 1033 K C 1.617 178.126 176.600 -0.152 0.000 1.049 1033 K CA 1.234 57.431 56.287 -0.149 0.000 0.931 1033 K CB -0.050 32.342 32.500 -0.180 0.000 0.714 1033 K HN 0.214 nan 8.250 nan 0.000 0.440 1034 V N 0.597 120.458 119.914 -0.087 0.000 3.041 1034 V HA -0.043 4.081 4.120 0.007 0.000 0.260 1034 V C 2.079 178.121 176.094 -0.087 0.000 1.105 1034 V CA 1.314 63.568 62.300 -0.078 0.000 1.125 1034 V CB -0.087 31.756 31.823 0.033 0.000 0.730 1034 V HN 0.380 nan 8.190 nan 0.000 0.479 1035 A N 0.643 123.426 122.820 -0.062 0.000 1.898 1035 A HA 0.098 4.422 4.320 0.007 0.000 0.214 1035 A C 2.349 179.888 177.584 -0.075 0.000 1.183 1035 A CA 1.520 53.528 52.037 -0.049 0.000 0.622 1035 A CB -0.575 18.409 19.000 -0.028 0.000 0.824 1035 A HN 0.532 nan 8.150 nan 0.000 0.444 1036 A N -0.899 121.864 122.820 -0.096 0.000 2.119 1036 A HA 0.209 4.533 4.320 0.007 0.000 0.217 1036 A C 2.020 179.527 177.584 -0.128 0.000 1.153 1036 A CA 1.034 53.013 52.037 -0.097 0.000 0.692 1036 A CB -0.368 18.573 19.000 -0.098 0.000 0.799 1036 A HN 0.455 nan 8.150 nan 0.000 0.458 1037 L N -0.585 120.517 121.223 -0.202 0.000 2.200 1037 L HA -0.050 4.294 4.340 0.007 0.000 0.200 1037 L C 2.897 179.594 176.870 -0.288 0.000 1.072 1037 L CA 1.261 55.919 54.840 -0.304 0.000 0.787 1037 L CB -0.176 41.557 42.059 -0.544 0.000 0.957 1037 L HN 0.516 nan 8.230 nan 0.000 0.459 1038 S N -0.576 114.984 115.700 -0.233 0.000 2.436 1038 S HA 0.049 4.523 4.470 0.007 0.000 0.228 1038 S C 1.513 176.108 174.600 -0.008 0.000 1.014 1038 S CA 0.527 58.696 58.200 -0.051 0.000 0.950 1038 S CB 0.049 63.281 63.200 0.052 0.000 0.784 1038 S HN 0.492 nan 8.310 nan 0.000 0.504 1039 G N 1.546 110.327 108.800 -0.033 0.000 2.212 1039 G HA2 -0.187 3.777 3.960 0.007 0.000 0.255 1039 G HA3 -0.187 3.777 3.960 0.007 0.000 0.255 1039 G C -0.417 174.479 174.900 -0.005 0.000 1.062 1039 G CA -0.050 45.041 45.100 -0.016 0.000 0.815 1039 G HN 0.550 nan 8.290 nan 0.000 0.497 1040 N N 0.374 119.070 118.700 -0.007 0.000 2.480 1040 N HA 0.233 4.977 4.740 0.007 0.000 0.289 1040 N C -0.394 175.110 175.510 -0.009 0.000 1.073 1040 N CA -0.579 52.471 53.050 0.000 0.000 0.885 1040 N CB 1.736 40.235 38.487 0.020 0.000 1.421 1040 N HN 0.531 nan 8.380 nan 0.000 0.503 1041 E N 1.483 121.672 120.200 -0.019 0.000 2.606 1041 E HA 0.052 4.406 4.350 0.007 0.000 0.248 1041 E C 0.276 176.858 176.600 -0.030 0.000 1.005 1041 E CA -0.140 56.241 56.400 -0.032 0.000 0.946 1041 E CB 0.424 30.097 29.700 -0.045 0.000 0.928 1041 E HN 0.571 nan 8.360 nan 0.000 0.494 1042 G N 3.829 112.614 108.800 -0.026 0.000 2.432 1042 G HA2 0.021 3.986 3.960 0.007 0.000 0.257 1042 G HA3 0.021 3.986 3.960 0.007 0.000 0.257 1042 G C -0.506 174.365 174.900 -0.050 0.000 1.238 1042 G CA -0.531 44.564 45.100 -0.009 0.000 0.838 1042 G HN 0.625 nan 8.290 nan 0.000 0.547 1043 D N 1.505 121.882 120.400 -0.038 0.000 2.479 1043 D HA 0.382 5.026 4.640 0.007 0.000 0.218 1043 D C 0.950 177.126 176.300 -0.206 0.000 1.131 1043 D CA -0.435 53.502 54.000 -0.105 0.000 0.916 1043 D CB 0.666 41.432 40.800 -0.057 0.000 1.022 1043 D HN 0.326 nan 8.370 nan 0.000 0.515 1044 A N 2.723 125.296 122.820 -0.412 0.000 2.476 1044 A HA 0.183 4.507 4.320 0.007 0.000 0.263 1044 A C 0.854 177.934 177.584 -0.840 0.000 1.342 1044 A CA -0.404 51.002 52.037 -1.052 0.000 0.926 1044 A CB -0.206 18.255 19.000 -0.899 0.000 1.019 1044 A HN 0.369 nan 8.150 nan 0.000 0.515 1045 S N 1.912 117.358 115.700 -0.423 0.000 2.537 1045 S HA 0.154 4.628 4.470 0.007 0.000 0.286 1045 S C -1.266 173.221 174.600 -0.188 0.000 1.299 1045 S CA -0.667 57.397 58.200 -0.226 0.000 1.067 1045 S CB 0.766 63.927 63.200 -0.064 0.000 0.864 1045 S HN 0.310 nan 8.310 nan 0.000 0.494 1046 P HA -0.151 nan 4.420 nan 0.000 0.212 1046 P C -0.082 176.975 177.300 -0.405 0.000 1.174 1046 P CA 1.457 64.265 63.100 -0.487 0.000 0.934 1046 P CB 0.036 31.173 31.700 -0.938 0.000 0.791 1047 F N -0.292 119.779 119.950 0.203 0.000 2.329 1047 F HA 0.359 4.890 4.527 0.007 0.000 0.362 1047 F C 0.930 176.854 175.800 0.206 0.000 1.113 1047 F CA -0.532 57.573 58.000 0.175 0.000 1.212 1047 F CB -0.253 38.812 39.000 0.108 0.000 1.509 1047 F HN -0.102 nan 8.300 nan 0.000 0.546 1048 T N -3.292 111.455 114.554 0.321 0.000 2.838 1048 T HA 0.319 4.673 4.350 0.007 0.000 0.292 1048 T C 0.121 174.966 174.700 0.242 0.000 1.113 1048 T CA -0.923 61.346 62.100 0.281 0.000 1.008 1048 T CB 2.012 71.031 68.868 0.251 0.000 1.259 1048 T HN 0.301 nan 8.240 nan 0.000 0.520 1049 D N 0.237 120.759 120.400 0.204 0.000 2.336 1049 D HA 0.216 4.860 4.640 0.007 0.000 0.228 1049 D C 0.149 176.547 176.300 0.165 0.000 1.120 1049 D CA 0.110 54.210 54.000 0.167 0.000 0.839 1049 D CB 0.234 41.118 40.800 0.139 0.000 0.932 1049 D HN 0.460 nan 8.370 nan 0.000 0.509 1050 I N 1.574 122.268 120.570 0.206 0.000 2.416 1050 I HA 0.011 4.185 4.170 0.007 0.000 0.288 1050 I C 0.763 176.983 176.117 0.172 0.000 1.051 1050 I CA 0.269 61.690 61.300 0.202 0.000 1.375 1050 I CB 1.104 39.271 38.000 0.278 0.000 1.407 1050 I HN -0.180 nan 8.210 nan 0.000 0.516 1051 T N 4.436 119.047 114.554 0.094 0.000 2.919 1051 T HA 0.296 4.651 4.350 0.007 0.000 0.282 1051 T C 1.106 175.777 174.700 -0.048 0.000 1.020 1051 T CA -0.776 61.348 62.100 0.041 0.000 0.994 1051 T CB 1.835 70.735 68.868 0.053 0.000 1.180 1051 T HN 0.238 nan 8.240 nan 0.000 0.566 1052 V N 0.473 120.343 119.914 -0.073 0.000 2.535 1052 V HA -0.039 4.085 4.120 0.007 0.000 0.246 1052 V C 2.594 178.677 176.094 -0.018 0.000 1.045 1052 V CA 1.279 63.525 62.300 -0.091 0.000 1.058 1052 V CB -0.580 31.183 31.823 -0.100 0.000 0.689 1052 V HN 0.762 nan 8.190 nan 0.000 0.461 1053 E N 0.962 121.166 120.200 0.006 0.000 2.107 1053 E HA -0.115 4.239 4.350 0.007 0.000 0.191 1053 E C 2.327 178.949 176.600 0.037 0.000 0.982 1053 E CA 1.282 57.699 56.400 0.028 0.000 0.809 1053 E CB -0.436 29.283 29.700 0.032 0.000 0.756 1053 E HN 0.598 nan 8.360 nan 0.000 0.459 1054 G N 0.581 109.405 108.800 0.040 0.000 2.498 1054 G HA2 -0.185 3.780 3.960 0.007 0.000 0.219 1054 G HA3 -0.185 3.780 3.960 0.007 0.000 0.219 1054 G C 1.582 176.516 174.900 0.056 0.000 1.119 1054 G CA 0.367 45.499 45.100 0.053 0.000 0.766 1054 G HN 0.182 nan 8.290 nan 0.000 0.552 1055 I N -0.433 120.165 120.570 0.046 0.000 2.947 1055 I HA -0.012 4.162 4.170 0.007 0.000 0.263 1055 I C 2.772 178.928 176.117 0.065 0.000 1.130 1055 I CA 0.279 61.612 61.300 0.055 0.000 1.448 1055 I CB -0.011 38.010 38.000 0.036 0.000 1.222 1055 I HN 0.022 nan 8.210 nan 0.000 0.453 1056 S N 1.152 116.887 115.700 0.059 0.000 2.381 1056 S HA -0.305 4.169 4.470 0.007 0.000 0.230 1056 S C 1.916 176.564 174.600 0.080 0.000 1.052 1056 S CA 1.781 60.026 58.200 0.075 0.000 1.068 1056 S CB -0.311 62.931 63.200 0.070 0.000 0.918 1056 S HN 0.302 nan 8.310 nan 0.000 0.448 1057 K N 0.606 121.045 120.400 0.065 0.000 2.020 1057 K HA -0.125 4.199 4.320 0.007 0.000 0.212 1057 K C 2.050 178.684 176.600 0.058 0.000 1.050 1057 K CA 1.489 57.809 56.287 0.055 0.000 0.929 1057 K CB -0.467 32.060 32.500 0.044 0.000 0.714 1057 K HN 0.261 nan 8.250 nan 0.000 0.443 1058 L N 0.437 121.703 121.223 0.072 0.000 1.971 1058 L HA -0.260 4.085 4.340 0.007 0.000 0.215 1058 L C 2.419 179.386 176.870 0.161 0.000 1.072 1058 L CA 0.987 55.883 54.840 0.093 0.000 0.758 1058 L CB -0.611 41.527 42.059 0.132 0.000 0.889 1058 L HN 0.202 nan 8.230 nan 0.000 0.433 1059 L N 0.075 121.413 121.223 0.192 0.000 2.042 1059 L HA -0.226 4.118 4.340 0.007 0.000 0.210 1059 L C 2.719 179.732 176.870 0.238 0.000 1.076 1059 L CA 1.755 56.739 54.840 0.240 0.000 0.749 1059 L CB -0.609 41.543 42.059 0.156 0.000 0.893 1059 L HN 0.155 nan 8.230 nan 0.000 0.432 1060 R N 0.209 120.801 120.500 0.154 0.000 2.127 1060 R HA -0.167 4.178 4.340 0.007 0.000 0.238 1060 R C 2.130 178.479 176.300 0.082 0.000 1.134 1060 R CA 1.791 57.965 56.100 0.123 0.000 0.975 1060 R CB -0.543 29.808 30.300 0.085 0.000 0.865 1060 R HN 0.569 nan 8.270 nan 0.000 0.447 1061 E N -1.024 119.191 120.200 0.024 0.000 2.204 1061 E HA -0.157 4.197 4.350 0.007 0.000 0.194 1061 E C 1.047 177.591 176.600 -0.094 0.000 0.989 1061 E CA 0.780 57.136 56.400 -0.073 0.000 0.824 1061 E CB -0.025 29.573 29.700 -0.170 0.000 0.756 1061 E HN 0.541 nan 8.360 nan 0.000 0.477 1062 H N -1.110 118.036 119.070 0.128 0.000 2.539 1062 H HA 0.119 4.679 4.556 0.007 0.000 0.267 1062 H C 1.152 176.614 175.328 0.223 0.000 0.982 1062 H CA 0.914 57.072 56.048 0.183 0.000 1.146 1062 H CB 0.956 30.845 29.762 0.211 0.000 1.382 1062 H HN 0.315 nan 8.280 nan 0.000 0.577 1063 G N 0.281 109.204 108.800 0.206 0.000 2.130 1063 G HA2 -0.245 3.719 3.960 0.007 0.000 0.216 1063 G HA3 -0.245 3.719 3.960 0.007 0.000 0.216 1063 G C -0.650 174.141 174.900 -0.181 0.000 0.999 1063 G CA -0.213 44.881 45.100 -0.010 0.000 0.686 1063 G HN 0.316 nan 8.290 nan 0.000 0.515 1064 Y N -0.820 119.537 120.300 0.095 0.000 2.524 1064 Y HA 0.659 5.213 4.550 0.007 0.000 0.344 1064 Y C 0.485 176.443 175.900 0.096 0.000 1.012 1064 Y CA -1.187 56.967 58.100 0.089 0.000 1.068 1064 Y CB 1.171 39.685 38.460 0.090 0.000 1.249 1064 Y HN 0.242 nan 8.280 nan 0.000 0.468 1065 Q N 0.811 120.766 119.800 0.259 0.000 2.310 1065 Q HA -0.010 4.335 4.340 0.007 0.000 0.315 1065 Q C 0.592 176.732 176.000 0.234 0.000 1.081 1065 Q CA 0.868 56.805 55.803 0.223 0.000 0.981 1065 Q CB 0.792 29.687 28.738 0.262 0.000 1.184 1065 Q HN 0.740 nan 8.270 nan 0.000 0.389 1066 S N 3.491 119.306 115.700 0.192 0.000 2.607 1066 S HA 0.075 4.549 4.470 0.007 0.000 0.224 1066 S C 0.577 175.283 174.600 0.177 0.000 0.969 1066 S CA 0.108 58.407 58.200 0.164 0.000 0.927 1066 S CB 0.136 63.409 63.200 0.121 0.000 0.772 1066 S HN 0.653 nan 8.310 nan 0.000 0.533 1067 R N 0.308 120.961 120.500 0.255 0.000 2.472 1067 R HA 0.390 4.734 4.340 0.007 0.000 0.279 1067 R C 1.499 177.939 176.300 0.233 0.000 0.953 1067 R CA 0.492 56.748 56.100 0.261 0.000 1.088 1067 R CB -0.036 30.503 30.300 0.398 0.000 1.197 1067 R HN 0.536 nan 8.270 nan 0.000 0.536 1068 G N 0.851 109.776 108.800 0.207 0.000 2.313 1068 G HA2 -0.265 3.700 3.960 0.007 0.000 0.215 1068 G HA3 -0.265 3.700 3.960 0.007 0.000 0.215 1068 G C 0.105 175.040 174.900 0.059 0.000 1.023 1068 G CA -0.502 44.640 45.100 0.070 0.000 0.626 1068 G HN 0.205 nan 8.290 nan 0.000 0.503 1069 F N 2.561 122.642 119.950 0.220 0.000 2.623 1069 F HA 0.438 4.969 4.527 0.007 0.000 0.383 1069 F C 1.118 176.982 175.800 0.107 0.000 1.077 1069 F CA 0.885 58.981 58.000 0.160 0.000 1.268 1069 F CB 0.405 39.478 39.000 0.123 0.000 1.053 1069 F HN 0.190 nan 8.300 nan 0.000 0.571 1070 E N 1.191 121.520 120.200 0.216 0.000 2.299 1070 E HA 0.564 4.918 4.350 0.007 0.000 0.265 1070 E C -1.362 175.240 176.600 0.004 0.000 0.911 1070 E CA -1.092 55.362 56.400 0.090 0.000 0.789 1070 E CB 2.364 32.047 29.700 -0.028 0.000 1.246 1070 E HN 0.285 nan 8.360 nan 0.000 0.427 1071 V N 2.371 122.251 119.914 -0.055 0.000 2.364 1071 V HA 0.381 4.505 4.120 0.007 0.000 0.272 1071 V C 0.043 175.966 176.094 -0.284 0.000 1.036 1071 V CA -0.355 61.847 62.300 -0.163 0.000 0.880 1071 V CB 0.396 32.114 31.823 -0.174 0.000 0.991 1071 V HN 0.566 nan 8.190 nan 0.000 0.460 1072 M N 4.371 123.756 119.600 -0.358 0.000 2.578 1072 M HA 0.609 5.093 4.480 0.007 0.000 0.321 1072 M C -1.509 174.454 176.300 -0.561 0.000 1.182 1072 M CA -0.598 54.472 55.300 -0.384 0.000 0.965 1072 M CB 2.408 34.820 32.600 -0.313 0.000 1.694 1072 M HN 0.520 nan 8.290 nan 0.000 0.461 1073 Y N 0.763 120.675 120.300 -0.646 0.000 2.328 1073 Y HA 0.268 4.823 4.550 0.007 0.000 0.336 1073 Y C 0.463 176.061 175.900 -0.503 0.000 0.960 1073 Y CA -1.352 56.380 58.100 -0.613 0.000 1.134 1073 Y CB 0.459 38.430 38.460 -0.815 0.000 1.166 1073 Y HN 0.643 nan 8.280 nan 0.000 0.464 1074 N N 1.478 120.167 118.700 -0.019 0.000 2.232 1074 N HA -0.113 4.631 4.740 0.007 0.000 0.251 1074 N C 1.100 176.782 175.510 0.287 0.000 1.242 1074 N CA 1.198 54.348 53.050 0.166 0.000 0.837 1074 N CB 1.221 39.767 38.487 0.099 0.000 1.079 1074 N HN 0.994 nan 8.380 nan 0.000 0.461 1075 G N 2.204 111.287 108.800 0.472 0.000 2.408 1075 G HA2 -0.186 3.778 3.960 0.007 0.000 0.215 1075 G HA3 -0.186 3.778 3.960 0.007 0.000 0.215 1075 G C 0.988 176.151 174.900 0.439 0.000 1.156 1075 G CA 0.573 45.993 45.100 0.535 0.000 0.793 1075 G HN 0.737 nan 8.290 nan 0.000 0.535 1076 H N 1.168 120.308 119.070 0.117 0.000 2.269 1076 H HA -0.067 4.494 4.556 0.007 0.000 0.299 1076 H C 2.979 178.346 175.328 0.065 0.000 1.058 1076 H CA 2.067 58.140 56.048 0.042 0.000 1.246 1076 H CB -1.082 28.668 29.762 -0.020 0.000 1.376 1076 H HN 0.417 nan 8.280 nan 0.000 0.503 1077 T N -3.277 111.409 114.554 0.220 0.000 3.014 1077 T HA 0.183 4.537 4.350 0.007 0.000 0.263 1077 T C 1.770 176.571 174.700 0.168 0.000 1.078 1077 T CA 0.768 62.955 62.100 0.145 0.000 1.135 1077 T CB -0.348 68.579 68.868 0.098 0.000 0.895 1077 T HN 0.678 nan 8.240 nan 0.000 0.480 1078 G N 1.603 110.544 108.800 0.235 0.000 2.160 1078 G HA2 -0.265 3.700 3.960 0.007 0.000 0.244 1078 G HA3 -0.265 3.700 3.960 0.007 0.000 0.244 1078 G C -0.152 174.912 174.900 0.274 0.000 1.022 1078 G CA 0.316 45.608 45.100 0.320 0.000 0.741 1078 G HN 0.882 nan 8.290 nan 0.000 0.508 1079 K N 0.568 121.084 120.400 0.193 0.000 2.130 1079 K HA 0.519 4.844 4.320 0.007 0.000 0.268 1079 K C 0.865 177.516 176.600 0.084 0.000 0.983 1079 K CA -0.886 55.498 56.287 0.161 0.000 0.893 1079 K CB 0.654 33.203 32.500 0.081 0.000 1.066 1079 K HN 0.148 nan 8.250 nan 0.000 0.450 1080 K N 2.387 122.789 120.400 0.005 0.000 2.559 1080 K HA -0.069 4.255 4.320 0.007 0.000 0.279 1080 K C -0.212 176.250 176.600 -0.230 0.000 0.967 1080 K CA 0.339 56.399 56.287 -0.379 0.000 1.000 1080 K CB 0.239 32.535 32.500 -0.341 0.000 0.890 1080 K HN 0.451 nan 8.250 nan 0.000 0.501 1081 L N 3.565 124.618 121.223 -0.282 0.000 2.305 1081 L HA 0.067 4.411 4.340 0.007 0.000 0.281 1081 L C 1.421 178.215 176.870 -0.127 0.000 1.085 1081 L CA -0.443 54.306 54.840 -0.151 0.000 0.813 1081 L CB 0.921 42.905 42.059 -0.126 0.000 1.157 1081 L HN 0.732 nan 8.230 nan 0.000 0.436 1082 M N 3.368 122.920 119.600 -0.079 0.000 2.260 1082 M HA -0.067 4.417 4.480 0.007 0.000 0.261 1082 M C 0.561 176.820 176.300 -0.068 0.000 1.066 1082 M CA 1.245 56.505 55.300 -0.066 0.000 1.082 1082 M CB -0.276 32.298 32.600 -0.043 0.000 1.388 1082 M HN 0.623 nan 8.290 nan 0.000 0.419 1083 A N -0.899 121.885 122.820 -0.059 0.000 2.346 1083 A HA 0.701 5.025 4.320 0.007 0.000 0.313 1083 A C -0.566 176.989 177.584 -0.048 0.000 1.140 1083 A CA -0.836 51.169 52.037 -0.054 0.000 0.826 1083 A CB 0.796 19.781 19.000 -0.025 0.000 1.332 1083 A HN 0.396 nan 8.150 nan 0.000 0.457 1084 Q N -0.767 119.019 119.800 -0.025 0.000 2.180 1084 Q HA 0.712 5.056 4.340 0.007 0.000 0.241 1084 Q C -1.260 174.884 176.000 0.241 0.000 0.970 1084 Q CA -0.211 55.625 55.803 0.056 0.000 0.919 1084 Q CB 1.296 30.062 28.738 0.047 0.000 1.222 1084 Q HN 0.558 nan 8.270 nan 0.000 0.482 1085 I N 0.477 121.213 120.570 0.277 0.000 2.569 1085 I HA 0.272 4.446 4.170 0.007 0.000 0.296 1085 I C -1.201 175.069 176.117 0.255 0.000 1.028 1085 I CA -0.634 60.822 61.300 0.259 0.000 1.082 1085 I CB 1.372 39.435 38.000 0.106 0.000 1.264 1085 I HN 0.491 nan 8.210 nan 0.000 0.429 1086 F N 6.813 126.720 119.950 -0.072 0.000 2.439 1086 F HA 0.405 4.936 4.527 0.007 0.000 0.356 1086 F C -0.791 175.006 175.800 -0.004 0.000 1.161 1086 F CA -0.189 57.627 58.000 -0.306 0.000 1.151 1086 F CB -0.072 38.670 39.000 -0.430 0.000 1.222 1086 F HN 0.222 nan 8.300 nan 0.000 0.558 1087 F N 3.571 123.165 119.950 -0.593 0.000 2.509 1087 F HA 0.820 5.352 4.527 0.007 0.000 0.334 1087 F C 0.480 175.901 175.800 -0.632 0.000 1.060 1087 F CA 0.145 57.867 58.000 -0.464 0.000 0.997 1087 F CB 1.854 40.718 39.000 -0.225 0.000 1.271 1087 F HN 0.657 nan 8.300 nan 0.000 0.488 1088 G N 2.138 110.495 108.800 -0.739 0.000 2.333 1088 G HA2 0.167 4.131 3.960 0.007 0.000 0.330 1088 G HA3 0.167 4.131 3.960 0.007 0.000 0.330 1088 G C -3.413 171.212 174.900 -0.459 0.000 1.465 1088 G CA -1.208 43.576 45.100 -0.526 0.000 0.996 1088 G HN 0.349 nan 8.290 nan 0.000 0.655 1089 P HA 0.476 nan 4.420 nan 0.000 0.276 1089 P C -0.568 176.680 177.300 -0.086 0.000 1.230 1089 P CA 0.158 63.153 63.100 -0.174 0.000 0.776 1089 P CB 1.388 33.019 31.700 -0.115 0.000 0.888 1090 T N 2.681 117.236 114.554 0.001 0.000 3.143 1090 T HA 0.128 4.483 4.350 0.007 0.000 0.312 1090 T C -0.937 173.914 174.700 0.251 0.000 0.986 1090 T CA -0.289 61.870 62.100 0.098 0.000 1.024 1090 T CB 0.238 69.167 68.868 0.102 0.000 1.030 1090 T HN 0.179 nan 8.240 nan 0.000 0.448 1091 Y N 3.730 124.079 120.300 0.081 0.000 2.713 1091 Y HA 0.239 4.793 4.550 0.007 0.000 0.341 1091 Y C -0.826 175.156 175.900 0.138 0.000 1.167 1091 Y CA 0.121 58.292 58.100 0.118 0.000 1.503 1091 Y CB -0.108 38.393 38.460 0.069 0.000 1.199 1091 Y HN 0.549 nan 8.280 nan 0.000 0.525 1092 Y N 3.889 124.102 120.300 -0.144 0.000 2.377 1092 Y HA 0.369 4.923 4.550 0.007 0.000 0.339 1092 Y C -0.221 175.696 175.900 0.028 0.000 1.011 1092 Y CA -0.876 57.235 58.100 0.018 0.000 1.093 1092 Y CB 1.484 40.013 38.460 0.114 0.000 1.201 1092 Y HN 0.474 nan 8.280 nan 0.000 0.455 1093 Q N 2.568 122.465 119.800 0.161 0.000 2.235 1093 Q HA 0.506 4.850 4.340 0.007 0.000 0.256 1093 Q C -0.695 175.393 176.000 0.145 0.000 0.951 1093 Q CA -1.143 54.772 55.803 0.186 0.000 0.890 1093 Q CB 2.064 30.887 28.738 0.141 0.000 1.279 1093 Q HN 0.486 nan 8.270 nan 0.000 0.444 1094 R N 2.359 122.921 120.500 0.104 0.000 2.215 1094 R HA 0.268 4.612 4.340 0.007 0.000 0.337 1094 R C -1.282 174.899 176.300 -0.199 0.000 1.010 1094 R CA -0.562 55.389 56.100 -0.247 0.000 0.871 1094 R CB 0.108 30.262 30.300 -0.244 0.000 1.134 1094 R HN 0.473 nan 8.270 nan 0.000 0.477 1095 L N 2.942 124.014 121.223 -0.252 0.000 2.357 1095 L HA 0.536 4.880 4.340 0.007 0.000 0.273 1095 L C 0.639 177.357 176.870 -0.253 0.000 1.080 1095 L CA -0.783 53.948 54.840 -0.181 0.000 0.803 1095 L CB 0.447 42.442 42.059 -0.107 0.000 1.174 1095 L HN 0.562 nan 8.230 nan 0.000 0.443 1096 R N 0.104 120.454 120.500 -0.250 0.000 2.840 1096 R HA 0.302 4.646 4.340 0.007 0.000 0.282 1096 R C -0.651 175.488 176.300 -0.268 0.000 1.133 1096 R CA -0.387 55.527 56.100 -0.309 0.000 1.208 1096 R CB -0.030 30.042 30.300 -0.379 0.000 1.160 1096 R HN 0.759 nan 8.270 nan 0.000 0.576 1097 H N -1.173 117.750 119.070 -0.246 0.000 3.427 1097 H HA -0.066 4.494 4.556 0.007 0.000 0.341 1097 H C -0.942 174.264 175.328 -0.203 0.000 1.379 1097 H CA 0.285 56.209 56.048 -0.206 0.000 1.399 1097 H CB -1.435 28.219 29.762 -0.180 0.000 1.375 1097 H HN 0.606 nan 8.280 nan 0.000 0.465 1098 M N -0.482 119.050 119.600 -0.114 0.000 2.369 1098 M HA 0.282 4.766 4.480 0.007 0.000 0.291 1098 M C 1.855 178.111 176.300 -0.074 0.000 1.178 1098 M CA -0.235 54.990 55.300 -0.124 0.000 0.996 1098 M CB 1.055 33.555 32.600 -0.166 0.000 1.472 1098 M HN 0.111 nan 8.290 nan 0.000 0.496 1099 V N 0.533 120.412 119.914 -0.058 0.000 2.239 1099 V HA -0.194 3.930 4.120 0.007 0.000 0.242 1099 V C 1.281 177.361 176.094 -0.024 0.000 1.038 1099 V CA 2.091 64.373 62.300 -0.031 0.000 1.002 1099 V CB -0.177 31.637 31.823 -0.016 0.000 0.641 1099 V HN 0.827 nan 8.190 nan 0.000 0.449 1100 D N -0.064 120.321 120.400 -0.026 0.000 2.392 1100 D HA -0.098 4.546 4.640 0.007 0.000 0.228 1100 D C 1.135 177.422 176.300 -0.022 0.000 1.003 1100 D CA 0.770 54.763 54.000 -0.013 0.000 0.917 1100 D CB -0.021 40.775 40.800 -0.007 0.000 0.890 1100 D HN 0.562 nan 8.370 nan 0.000 0.532 1101 D N -0.079 120.293 120.400 -0.047 0.000 2.323 1101 D HA 0.001 4.645 4.640 0.007 0.000 0.209 1101 D C 1.707 177.989 176.300 -0.030 0.000 0.973 1101 D CA 0.633 54.598 54.000 -0.059 0.000 0.874 1101 D CB 0.349 41.081 40.800 -0.113 0.000 0.930 1101 D HN 0.224 nan 8.370 nan 0.000 0.521 1102 K N -0.370 120.023 120.400 -0.011 0.000 2.424 1102 K HA 0.144 4.468 4.320 0.007 0.000 0.198 1102 K C 0.222 176.847 176.600 0.042 0.000 1.190 1102 K CA -0.463 55.829 56.287 0.008 0.000 0.935 1102 K CB 0.984 33.487 32.500 0.005 0.000 1.087 1102 K HN -0.037 nan 8.250 nan 0.000 0.524 1103 I N 3.120 123.714 120.570 0.040 0.000 2.996 1103 I HA -0.171 4.003 4.170 0.007 0.000 0.310 1103 I C -0.062 176.134 176.117 0.132 0.000 1.225 1103 I CA 1.138 62.476 61.300 0.064 0.000 1.442 1103 I CB -0.567 37.457 38.000 0.040 0.000 1.334 1103 I HN 0.172 nan 8.210 nan 0.000 0.550 1104 H N 5.360 124.430 119.070 0.001 0.000 3.029 1104 H HA 0.835 5.395 4.556 0.006 0.000 0.358 1104 H C -1.445 173.886 175.328 0.006 0.000 1.129 1104 H CA -0.568 55.482 56.048 0.003 0.000 1.230 1104 H CB 1.470 31.233 29.762 0.002 0.000 1.827 1104 H HN 0.669 nan 8.280 nan 0.000 0.530 1105 A N 4.131 126.765 122.820 -0.310 0.000 2.606 1105 A HA 0.806 5.130 4.320 0.007 0.000 0.293 1105 A C -1.392 176.027 177.584 -0.274 0.000 1.082 1105 A CA -0.578 51.257 52.037 -0.336 0.000 0.685 1105 A CB 1.768 20.698 19.000 -0.118 0.000 1.284 1105 A HN 0.904 nan 8.150 nan 0.000 0.408 1106 R N 0.477 120.855 120.500 -0.203 0.000 2.572 1106 R HA 0.614 4.958 4.340 0.007 0.000 0.273 1106 R C -1.404 174.865 176.300 -0.053 0.000 1.168 1106 R CA 0.219 56.265 56.100 -0.089 0.000 1.021 1106 R CB 1.152 31.418 30.300 -0.056 0.000 1.249 1106 R HN 1.613 nan 8.270 nan 0.000 0.423 1107 A N 5.977 128.781 122.820 -0.027 0.000 2.690 1107 A HA 0.508 4.833 4.320 0.007 0.000 0.342 1107 A C 0.150 177.727 177.584 -0.010 0.000 1.410 1107 A CA -0.193 51.834 52.037 -0.017 0.000 0.958 1107 A CB 0.143 19.136 19.000 -0.012 0.000 1.153 1107 A HN 1.070 nan 8.150 nan 0.000 0.497 1108 R N 0.790 121.284 120.500 -0.011 0.000 3.514 1108 R HA -0.034 4.310 4.340 0.007 0.000 0.604 1108 R C 0.234 176.531 176.300 -0.005 0.000 0.241 1108 R CA 1.740 57.835 56.100 -0.008 0.000 1.862 1108 R CB -1.273 29.021 30.300 -0.010 0.000 0.904 1108 R HN 2.481 nan 8.270 nan 0.000 0.608 1109 G N -1.454 107.341 108.800 -0.008 0.000 2.247 1109 G HA2 0.115 4.080 3.960 0.007 0.000 0.229 1109 G HA3 0.115 4.080 3.960 0.007 0.000 0.229 1109 G C -2.812 172.079 174.900 -0.014 0.000 1.345 1109 G CA -0.426 44.668 45.100 -0.010 0.000 1.100 1109 G HN 0.787 nan 8.290 nan 0.000 0.473 1110 P HA 0.236 nan 4.420 nan 0.000 0.261 1110 P C -0.292 176.995 177.300 -0.022 0.000 1.165 1110 P CA 0.723 63.812 63.100 -0.018 0.000 0.759 1110 P CB 0.235 31.928 31.700 -0.012 0.000 0.772 1111 M N 1.219 120.797 119.600 -0.037 0.000 2.761 1111 M HA 0.315 4.799 4.480 0.007 0.000 0.305 1111 M C 0.617 176.884 176.300 -0.055 0.000 1.235 1111 M CA -1.035 54.234 55.300 -0.051 0.000 0.850 1111 M CB 1.382 33.933 32.600 -0.083 0.000 1.744 1111 M HN 0.322 nan 8.290 nan 0.000 0.480 1112 Q N 0.005 119.770 119.800 -0.059 0.000 2.443 1112 Q HA 0.222 4.566 4.340 0.007 0.000 0.232 1112 Q C 0.920 176.871 176.000 -0.081 0.000 1.026 1112 Q CA -0.360 55.412 55.803 -0.053 0.000 0.924 1112 Q CB 1.062 29.778 28.738 -0.038 0.000 1.256 1112 Q HN 0.480 nan 8.270 nan 0.000 0.519 1113 V N 0.903 120.781 119.914 -0.059 0.000 2.500 1113 V HA -0.144 3.980 4.120 0.007 0.000 0.243 1113 V C 1.650 177.704 176.094 -0.066 0.000 1.039 1113 V CA 0.964 63.224 62.300 -0.067 0.000 1.053 1113 V CB -0.345 31.457 31.823 -0.034 0.000 0.695 1113 V HN 0.641 nan 8.190 nan 0.000 0.463 1114 L N 0.353 121.562 121.223 -0.024 0.000 2.131 1114 L HA 0.003 4.347 4.340 0.007 0.000 0.206 1114 L C 2.039 178.956 176.870 0.077 0.000 1.087 1114 L CA 2.344 57.199 54.840 0.026 0.000 0.767 1114 L CB -0.540 41.537 42.059 0.029 0.000 0.917 1114 L HN 0.334 nan 8.230 nan 0.000 0.441 1115 T N -1.273 113.292 114.554 0.018 0.000 3.001 1115 T HA 0.199 4.553 4.350 0.007 0.000 0.251 1115 T C 0.450 175.103 174.700 -0.079 0.000 1.040 1115 T CA -0.217 61.925 62.100 0.070 0.000 0.985 1115 T CB 0.053 68.947 68.868 0.043 0.000 1.011 1115 T HN 0.278 nan 8.240 nan 0.000 0.509 1116 R N 1.554 121.898 120.500 -0.260 0.000 3.416 1116 R HA -0.155 4.189 4.340 0.007 0.000 0.263 1116 R C -0.687 175.508 176.300 -0.175 0.000 1.053 1116 R CA 0.463 56.349 56.100 -0.356 0.000 0.705 1116 R CB -1.981 27.834 30.300 -0.809 0.000 1.124 1116 R HN 0.557 nan 8.270 nan 0.000 0.444 1117 Q N -0.407 119.338 119.800 -0.091 0.000 2.377 1117 Q HA 0.437 4.781 4.340 0.007 0.000 0.271 1117 Q C -2.467 173.513 176.000 -0.034 0.000 1.077 1117 Q CA -2.470 53.306 55.803 -0.045 0.000 0.820 1117 Q CB 2.211 30.941 28.738 -0.014 0.000 1.347 1117 Q HN -0.137 nan 8.270 nan 0.000 0.444 1118 P HA -0.145 nan 4.420 nan 0.000 0.268 1118 P C -0.624 176.678 177.300 0.003 0.000 1.189 1118 P CA 0.220 63.317 63.100 -0.005 0.000 0.771 1118 P CB 0.317 32.022 31.700 0.008 0.000 0.822 1119 V N -0.805 119.114 119.914 0.008 0.000 3.234 1119 V HA 0.428 4.552 4.120 0.007 0.000 0.317 1119 V C 0.200 176.303 176.094 0.017 0.000 1.081 1119 V CA -0.771 61.533 62.300 0.006 0.000 1.037 1119 V CB 0.969 32.791 31.823 -0.002 0.000 1.148 1119 V HN 0.420 nan 8.190 nan 0.000 0.453 1120 E N 0.639 120.842 120.200 0.005 0.000 2.115 1120 E HA 0.565 4.919 4.350 0.007 0.000 0.282 1120 E C -0.026 176.562 176.600 -0.020 0.000 0.987 1120 E CA 0.444 56.845 56.400 0.002 0.000 0.797 1120 E CB 0.519 30.219 29.700 -0.001 0.000 1.086 1120 E HN 1.524 nan 8.360 nan 0.000 0.397 1121 G N 3.470 112.248 108.800 -0.038 0.000 2.697 1121 G HA2 -0.177 3.787 3.960 0.007 0.000 0.684 1121 G HA3 -0.177 3.787 3.960 0.007 0.000 0.684 1121 G C 0.126 174.874 174.900 -0.254 0.000 1.274 1121 G CA -0.265 44.771 45.100 -0.106 0.000 0.806 1121 G HN 0.672 nan 8.290 nan 0.000 0.644 1122 R N 0.007 120.249 120.500 -0.430 0.000 2.235 1122 R HA 0.072 4.416 4.340 0.007 0.000 0.213 1122 R C 2.319 178.435 176.300 -0.307 0.000 1.059 1122 R CA 2.299 57.957 56.100 -0.738 0.000 0.997 1122 R CB -0.152 29.774 30.300 -0.623 0.000 0.884 1122 R HN 0.978 nan 8.270 nan 0.000 0.462 1123 S N -0.167 115.425 115.700 -0.180 0.000 2.561 1123 S HA 0.067 4.541 4.470 0.007 0.000 0.225 1123 S C 1.422 175.981 174.600 -0.068 0.000 0.977 1123 S CA 0.071 58.215 58.200 -0.093 0.000 0.926 1123 S CB 0.035 63.196 63.200 -0.065 0.000 0.769 1123 S HN 0.506 nan 8.310 nan 0.000 0.533 1124 R N 0.420 120.869 120.500 -0.085 0.000 2.549 1124 R HA 0.200 4.544 4.340 0.007 0.000 0.361 1124 R C -0.721 175.564 176.300 -0.025 0.000 0.969 1124 R CA 0.363 56.437 56.100 -0.044 0.000 1.158 1124 R CB 0.116 30.397 30.300 -0.032 0.000 1.456 1124 R HN 0.381 nan 8.270 nan 0.000 0.540 1125 D N 0.851 121.230 120.400 -0.035 0.000 2.737 1125 D HA -0.139 4.505 4.640 0.007 0.000 0.238 1125 D C -0.061 176.305 176.300 0.111 0.000 1.157 1125 D CA 1.166 55.210 54.000 0.073 0.000 0.694 1125 D CB -0.720 40.111 40.800 0.053 0.000 1.021 1125 D HN 0.480 nan 8.370 nan 0.000 0.420 1126 G N -0.794 108.086 108.800 0.133 0.000 2.971 1126 G HA2 0.795 4.759 3.960 0.007 0.000 0.235 1126 G HA3 0.795 4.759 3.960 0.007 0.000 0.235 1126 G C 0.480 175.511 174.900 0.218 0.000 1.351 1126 G CA -0.283 44.892 45.100 0.125 0.000 1.039 1126 G HN 0.489 nan 8.290 nan 0.000 0.563 1127 G N -1.681 107.196 108.800 0.129 0.000 2.613 1127 G HA2 0.577 4.541 3.960 0.007 0.000 0.303 1127 G HA3 0.577 4.541 3.960 0.007 0.000 0.303 1127 G C -0.641 174.332 174.900 0.122 0.000 1.312 1127 G CA -0.845 44.314 45.100 0.098 0.000 1.036 1127 G HN 0.542 nan 8.290 nan 0.000 0.513 1128 L N -0.223 121.053 121.223 0.088 0.000 2.344 1128 L HA 0.525 4.869 4.340 0.007 0.000 0.272 1128 L C 0.726 177.651 176.870 0.092 0.000 1.035 1128 L CA -0.924 53.972 54.840 0.093 0.000 0.807 1128 L CB 1.657 43.766 42.059 0.083 0.000 1.237 1128 L HN 0.495 nan 8.230 nan 0.000 0.442 1129 R N 1.114 121.661 120.500 0.078 0.000 2.389 1129 R HA 0.113 4.457 4.340 0.007 0.000 0.295 1129 R C -0.744 175.627 176.300 0.118 0.000 1.075 1129 R CA -0.264 55.887 56.100 0.085 0.000 1.005 1129 R CB 0.428 30.756 30.300 0.047 0.000 0.987 1129 R HN 0.469 nan 8.270 nan 0.000 0.452 1130 F N 5.475 125.419 119.950 -0.010 0.000 2.573 1130 F HA 0.330 4.862 4.527 0.007 0.000 0.349 1130 F C 0.707 176.500 175.800 -0.012 0.000 1.213 1130 F CA -0.234 57.758 58.000 -0.014 0.000 1.300 1130 F CB 0.015 38.993 39.000 -0.038 0.000 1.661 1130 F HN 0.734 nan 8.300 nan 0.000 0.616 1131 G N 2.354 111.084 108.800 -0.117 0.000 2.785 1131 G HA2 -0.099 3.865 3.960 0.007 0.000 0.256 1131 G HA3 -0.099 3.865 3.960 0.007 0.000 0.256 1131 G C 0.875 175.704 174.900 -0.118 0.000 1.248 1131 G CA -0.222 44.826 45.100 -0.087 0.000 0.914 1131 G HN 0.636 nan 8.290 nan 0.000 0.580 1132 E N -0.564 119.599 120.200 -0.062 0.000 2.038 1132 E HA -0.182 4.172 4.350 0.007 0.000 0.195 1132 E C 2.722 179.272 176.600 -0.083 0.000 1.000 1132 E CA 1.434 57.806 56.400 -0.045 0.000 0.803 1132 E CB -0.163 29.523 29.700 -0.024 0.000 0.750 1132 E HN 0.517 nan 8.360 nan 0.000 0.448 1133 M N 0.501 120.043 119.600 -0.098 0.000 2.149 1133 M HA -0.199 4.285 4.480 0.007 0.000 0.261 1133 M C 1.947 178.152 176.300 -0.158 0.000 1.064 1133 M CA 1.382 56.623 55.300 -0.099 0.000 1.102 1133 M CB -0.335 32.215 32.600 -0.084 0.000 1.369 1133 M HN -0.024 nan 8.290 nan 0.000 0.408 1134 E N 0.049 120.063 120.200 -0.309 0.000 2.107 1134 E HA -0.103 4.251 4.350 0.007 0.000 0.191 1134 E C 1.947 178.246 176.600 -0.501 0.000 0.982 1134 E CA 0.878 56.946 56.400 -0.553 0.000 0.809 1134 E CB -0.391 28.675 29.700 -1.056 0.000 0.756 1134 E HN 0.359 nan 8.360 nan 0.000 0.459 1135 R N 0.920 121.223 120.500 -0.328 0.000 2.091 1135 R HA -0.158 4.186 4.340 0.007 0.000 0.238 1135 R C 0.816 177.157 176.300 0.068 0.000 1.136 1135 R CA 1.653 57.804 56.100 0.086 0.000 0.959 1135 R CB -0.134 30.246 30.300 0.134 0.000 0.856 1135 R HN 0.128 nan 8.270 nan 0.000 0.437 1136 D N -0.308 120.093 120.400 0.003 0.000 2.348 1136 D HA -0.076 4.568 4.640 0.007 0.000 0.216 1136 D C 1.538 177.865 176.300 0.044 0.000 0.970 1136 D CA 0.592 54.606 54.000 0.024 0.000 0.889 1136 D CB -0.001 40.800 40.800 0.002 0.000 0.912 1136 D HN 0.328 nan 8.370 nan 0.000 0.524 1137 C N -0.010 119.314 119.300 0.040 0.000 2.504 1137 C HA 0.097 4.561 4.460 0.007 0.000 0.279 1137 C C 2.455 177.559 174.990 0.189 0.000 1.358 1137 C CA -0.074 59.003 59.018 0.099 0.000 1.747 1137 C CB -0.319 27.453 27.740 0.053 0.000 2.037 1137 C HN 0.230 nan 8.230 nan 0.000 0.503 1138 M N 0.846 120.557 119.600 0.186 0.000 2.156 1138 M HA 0.053 4.537 4.480 0.007 0.000 0.264 1138 M C 1.869 178.298 176.300 0.216 0.000 1.067 1138 M CA 1.412 56.863 55.300 0.252 0.000 1.131 1138 M CB -0.869 31.953 32.600 0.369 0.000 1.368 1138 M HN 0.273 nan 8.290 nan 0.000 0.416 1139 I N -0.462 120.205 120.570 0.161 0.000 2.163 1139 I HA -0.341 3.833 4.170 0.007 0.000 0.243 1139 I C 2.419 178.602 176.117 0.109 0.000 1.085 1139 I CA 1.340 62.711 61.300 0.118 0.000 1.347 1139 I CB -0.852 37.198 38.000 0.083 0.000 1.044 1139 I HN 0.255 nan 8.210 nan 0.000 0.408 1140 A N 0.280 123.165 122.820 0.109 0.000 1.873 1140 A HA -0.288 4.037 4.320 0.007 0.000 0.218 1140 A C 2.262 179.884 177.584 0.063 0.000 1.193 1140 A CA 1.858 53.938 52.037 0.071 0.000 0.629 1140 A CB -1.249 17.789 19.000 0.063 0.000 0.826 1140 A HN 0.467 nan 8.150 nan 0.000 0.447 1141 H N -1.504 117.593 119.070 0.045 0.000 2.457 1141 H HA -0.037 4.523 4.556 0.007 0.000 0.297 1141 H C 1.899 177.251 175.328 0.040 0.000 1.092 1141 H CA 1.509 57.580 56.048 0.040 0.000 1.309 1141 H CB -0.054 29.736 29.762 0.047 0.000 1.382 1141 H HN 0.726 nan 8.280 nan 0.000 0.535 1142 G N -0.214 108.684 108.800 0.162 0.000 2.194 1142 G HA2 -0.270 3.694 3.960 0.007 0.000 0.236 1142 G HA3 -0.270 3.694 3.960 0.007 0.000 0.236 1142 G C 0.555 175.525 174.900 0.117 0.000 0.987 1142 G CA 0.230 45.395 45.100 0.107 0.000 0.635 1142 G HN 0.652 nan 8.290 nan 0.000 0.520 1143 A N 0.581 123.494 122.820 0.155 0.000 2.655 1143 A HA 0.765 5.089 4.320 0.007 0.000 0.297 1143 A C 1.577 179.262 177.584 0.168 0.000 1.461 1143 A CA 1.179 53.305 52.037 0.149 0.000 1.146 1143 A CB 0.019 19.106 19.000 0.145 0.000 1.108 1143 A HN 1.712 nan 8.150 nan 0.000 0.550 1144 A N 2.152 125.043 122.820 0.118 0.000 1.878 1144 A HA 0.050 4.374 4.320 0.007 0.000 0.213 1144 A C 2.376 180.010 177.584 0.083 0.000 1.192 1144 A CA 1.647 53.740 52.037 0.093 0.000 0.619 1144 A CB -0.678 18.360 19.000 0.064 0.000 0.837 1144 A HN 0.662 nan 8.150 nan 0.000 0.446 1145 S N -0.562 115.190 115.700 0.087 0.000 2.383 1145 S HA -0.179 4.295 4.470 0.007 0.000 0.229 1145 S C 1.644 176.298 174.600 0.090 0.000 1.030 1145 S CA 1.624 59.867 58.200 0.072 0.000 1.002 1145 S CB -0.535 62.708 63.200 0.071 0.000 0.829 1145 S HN 0.604 nan 8.310 nan 0.000 0.467 1146 F N 1.947 121.888 119.950 -0.015 0.000 2.171 1146 F HA -0.016 4.515 4.527 0.007 0.000 0.300 1146 F C 1.821 177.574 175.800 -0.077 0.000 1.090 1146 F CA 0.918 58.894 58.000 -0.041 0.000 1.293 1146 F CB -0.386 38.598 39.000 -0.026 0.000 1.013 1146 F HN 0.128 nan 8.300 nan 0.000 0.486 1147 L N 0.166 121.298 121.223 -0.151 0.000 2.141 1147 L HA -0.183 4.161 4.340 0.007 0.000 0.209 1147 L C 2.566 179.289 176.870 -0.246 0.000 1.094 1147 L CA 1.268 55.955 54.840 -0.255 0.000 0.763 1147 L CB -0.501 41.543 42.059 -0.025 0.000 0.908 1147 L HN 0.113 nan 8.230 nan 0.000 0.437 1148 K N -0.096 120.222 120.400 -0.138 0.000 2.217 1148 K HA -0.229 4.096 4.320 0.007 0.000 0.202 1148 K C 1.844 178.358 176.600 -0.144 0.000 1.051 1148 K CA 1.251 57.478 56.287 -0.100 0.000 0.952 1148 K CB 0.160 32.639 32.500 -0.035 0.000 0.736 1148 K HN 0.367 nan 8.250 nan 0.000 0.453 1149 E N 0.008 120.085 120.200 -0.205 0.000 2.076 1149 E HA -0.097 4.258 4.350 0.007 0.000 0.190 1149 E C 1.706 178.101 176.600 -0.341 0.000 0.979 1149 E CA 0.470 56.744 56.400 -0.210 0.000 0.807 1149 E CB 0.252 29.866 29.700 -0.144 0.000 0.761 1149 E HN 0.024 nan 8.360 nan 0.000 0.454 1150 R N 0.095 120.222 120.500 -0.622 0.000 2.328 1150 R HA -0.040 4.304 4.340 0.007 0.000 0.207 1150 R C 1.237 177.258 176.300 -0.466 0.000 1.056 1150 R CA 0.443 56.096 56.100 -0.746 0.000 1.016 1150 R CB -0.089 29.350 30.300 -1.434 0.000 0.872 1150 R HN 0.211 nan 8.270 nan 0.000 0.471 1151 L N -1.723 119.320 121.223 -0.299 0.000 2.672 1151 L HA 0.205 4.549 4.340 0.007 0.000 0.236 1151 L C 1.323 178.139 176.870 -0.089 0.000 1.092 1151 L CA 0.724 55.468 54.840 -0.161 0.000 0.887 1151 L CB 0.060 42.051 42.059 -0.113 0.000 1.168 1151 L HN -0.054 nan 8.230 nan 0.000 0.502 1152 M N -1.274 118.273 119.600 -0.089 0.000 3.119 1152 M HA 0.194 4.678 4.480 0.007 0.000 0.160 1152 M C 1.748 178.030 176.300 -0.030 0.000 1.675 1152 M CA 0.401 55.683 55.300 -0.030 0.000 1.577 1152 M CB -0.848 31.755 32.600 0.004 0.000 0.826 1152 M HN -0.200 nan 8.290 nan 0.000 0.549 1153 E N 1.251 121.436 120.200 -0.025 0.000 2.284 1153 E HA -0.081 4.274 4.350 0.007 0.000 0.200 1153 E C 0.794 177.375 176.600 -0.031 0.000 1.008 1153 E CA 1.345 57.737 56.400 -0.013 0.000 0.829 1153 E CB -0.168 29.529 29.700 -0.005 0.000 0.744 1153 E HN 0.498 nan 8.360 nan 0.000 0.491 1154 A N -1.082 121.699 122.820 -0.065 0.000 2.827 1154 A HA 0.528 4.852 4.320 0.007 0.000 0.300 1154 A C 0.675 178.218 177.584 -0.068 0.000 1.237 1154 A CA 0.287 52.282 52.037 -0.070 0.000 0.964 1154 A CB 0.399 19.338 19.000 -0.101 0.000 1.143 1154 A HN 0.084 nan 8.150 nan 0.000 0.554 1155 S N -1.221 114.450 115.700 -0.048 0.000 5.893 1155 S HA 0.070 4.544 4.470 0.007 0.000 0.145 1155 S C 0.138 174.729 174.600 -0.015 0.000 1.424 1155 S CA 0.728 58.906 58.200 -0.036 0.000 0.940 1155 S CB -0.626 62.545 63.200 -0.049 0.000 1.861 1155 S HN 0.213 nan 8.310 nan 0.000 0.596 1156 D N 1.972 122.378 120.400 0.009 0.000 2.107 1156 D HA 0.425 5.069 4.640 0.007 0.000 0.204 1156 D C 0.919 177.275 176.300 0.092 0.000 0.978 1156 D CA 1.548 55.583 54.000 0.057 0.000 0.852 1156 D CB -0.353 40.504 40.800 0.096 0.000 1.008 1156 D HN 0.952 nan 8.370 nan 0.000 0.458 1157 A N -0.193 122.676 122.820 0.083 0.000 2.154 1157 A HA -0.206 4.118 4.320 0.007 0.000 0.274 1157 A C -0.007 177.664 177.584 0.145 0.000 1.373 1157 A CA 0.273 52.355 52.037 0.075 0.000 0.751 1157 A CB -1.941 17.084 19.000 0.041 0.000 1.149 1157 A HN 0.270 nan 8.150 nan 0.000 0.337 1158 F N 0.938 120.875 119.950 -0.021 0.000 2.525 1158 F HA 0.869 5.400 4.527 0.007 0.000 0.346 1158 F C 0.606 176.315 175.800 -0.153 0.000 1.072 1158 F CA -1.457 56.536 58.000 -0.012 0.000 1.033 1158 F CB 1.096 40.188 39.000 0.153 0.000 1.324 1158 F HN 0.455 nan 8.300 nan 0.000 0.491 1159 R N 2.407 122.209 120.500 -1.162 0.000 2.512 1159 R HA 0.555 4.899 4.340 0.007 0.000 0.291 1159 R C -2.326 173.408 176.300 -0.943 0.000 1.097 1159 R CA -0.312 55.262 56.100 -0.876 0.000 0.940 1159 R CB 1.269 31.182 30.300 -0.645 0.000 1.198 1159 R HN 0.530 nan 8.270 nan 0.000 0.429 1160 V N 3.307 122.915 119.914 -0.510 0.000 3.046 1160 V HA 0.547 4.671 4.120 0.007 0.000 0.316 1160 V C -0.177 175.772 176.094 -0.242 0.000 1.104 1160 V CA -0.893 61.247 62.300 -0.267 0.000 1.006 1160 V CB 2.375 34.161 31.823 -0.062 0.000 1.058 1160 V HN 0.639 nan 8.190 nan 0.000 0.440 1161 H N 2.396 121.429 119.070 -0.061 0.000 2.481 1161 H HA 0.595 5.155 4.556 0.007 0.000 0.333 1161 H C -0.943 174.358 175.328 -0.045 0.000 1.066 1161 H CA -0.203 55.804 56.048 -0.068 0.000 1.209 1161 H CB 1.859 31.570 29.762 -0.085 0.000 1.445 1161 H HN 0.429 nan 8.280 nan 0.000 0.488 1162 I N 1.830 122.424 120.570 0.040 0.000 2.562 1162 I HA 0.149 4.324 4.170 0.007 0.000 0.301 1162 I C 0.539 176.668 176.117 0.020 0.000 1.003 1162 I CA -0.890 60.422 61.300 0.021 0.000 1.127 1162 I CB 1.880 39.874 38.000 -0.011 0.000 1.304 1162 I HN 0.476 nan 8.210 nan 0.000 0.446 1163 C N 4.296 123.592 119.300 -0.008 0.000 2.499 1163 C HA 0.418 4.882 4.460 0.007 0.000 0.386 1163 C C 1.850 176.814 174.990 -0.042 0.000 1.293 1163 C CA -0.087 58.919 59.018 -0.021 0.000 1.884 1163 C CB -0.189 27.535 27.740 -0.027 0.000 2.509 1163 C HN 1.058 nan 8.230 nan 0.000 0.566 1164 G N 4.757 113.577 108.800 0.034 0.000 2.475 1164 G HA2 -0.158 3.806 3.960 0.007 0.000 0.220 1164 G HA3 -0.158 3.806 3.960 0.007 0.000 0.220 1164 G C 1.144 175.904 174.900 -0.234 0.000 1.125 1164 G CA 1.363 46.472 45.100 0.014 0.000 0.755 1164 G HN 0.848 nan 8.290 nan 0.000 0.565 1165 I N 0.443 120.918 120.570 -0.157 0.000 2.315 1165 I HA -0.011 4.163 4.170 0.007 0.000 0.233 1165 I C 1.681 177.688 176.117 -0.183 0.000 1.067 1165 I CA 0.681 61.886 61.300 -0.159 0.000 1.376 1165 I CB -0.204 37.759 38.000 -0.062 0.000 1.143 1165 I HN 0.262 nan 8.210 nan 0.000 0.421 1166 c N 2.301 120.847 118.600 -0.091 0.000 2.484 1166 c HA 0.563 5.137 4.570 0.007 0.000 0.494 1166 c C 1.215 175.281 174.090 -0.040 0.000 1.052 1166 c CA -1.457 54.854 56.329 -0.029 0.000 1.307 1166 c CB -1.792 40.720 42.510 0.003 0.000 1.464 1166 c HN 0.532 nan 8.230 nan 0.000 0.564 1167 G N 3.052 111.794 108.800 -0.096 0.000 2.317 1167 G HA2 0.267 4.231 3.960 0.007 0.000 0.286 1167 G HA3 0.267 4.231 3.960 0.007 0.000 0.286 1167 G C -0.464 174.429 174.900 -0.010 0.000 0.839 1167 G CA 0.480 45.542 45.100 -0.064 0.000 1.389 1167 G HN 0.873 nan 8.290 nan 0.000 0.344 1168 L N 1.410 122.616 121.223 -0.029 0.000 2.491 1168 L HA 0.433 4.777 4.340 0.007 0.000 0.254 1168 L C 0.384 177.254 176.870 0.000 0.000 1.048 1168 L CA -1.169 53.660 54.840 -0.017 0.000 0.855 1168 L CB 1.973 44.033 42.059 0.001 0.000 1.466 1168 L HN 0.187 nan 8.230 nan 0.000 0.409 1169 M N 1.366 120.978 119.600 0.020 0.000 3.561 1169 M HA 0.208 4.693 4.480 0.007 0.000 0.230 1169 M C -0.164 176.171 176.300 0.057 0.000 1.387 1169 M CA 0.187 55.519 55.300 0.053 0.000 1.570 1169 M CB -0.522 32.125 32.600 0.078 0.000 1.057 1169 M HN 0.691 nan 8.290 nan 0.000 0.607 1170 T N -2.112 112.472 114.554 0.050 0.000 3.010 1170 T HA 0.123 4.477 4.350 0.007 0.000 0.252 1170 T C 0.775 175.507 174.700 0.052 0.000 0.963 1170 T CA -0.129 61.999 62.100 0.047 0.000 0.952 1170 T CB 0.534 69.421 68.868 0.032 0.000 1.182 1170 T HN 0.251 nan 8.240 nan 0.000 0.495 1171 V N 3.948 123.894 119.914 0.053 0.000 2.555 1171 V HA 0.010 4.134 4.120 0.007 0.000 0.299 1171 V C 0.356 176.490 176.094 0.067 0.000 1.012 1171 V CA 0.263 62.596 62.300 0.056 0.000 1.180 1171 V CB -0.725 31.123 31.823 0.043 0.000 0.887 1171 V HN 0.411 nan 8.190 nan 0.000 0.476 1172 I N 4.761 125.371 120.570 0.066 0.000 2.471 1172 I HA 0.402 4.576 4.170 0.007 0.000 0.286 1172 I C 0.654 176.811 176.117 0.065 0.000 1.079 1172 I CA 0.240 61.575 61.300 0.059 0.000 1.398 1172 I CB 0.911 38.938 38.000 0.045 0.000 1.403 1172 I HN 0.681 nan 8.210 nan 0.000 0.530 1173 A N 7.001 129.840 122.820 0.033 0.000 2.399 1173 A HA 0.381 4.706 4.320 0.007 0.000 0.327 1173 A C -0.051 177.513 177.584 -0.033 0.000 1.367 1173 A CA -0.744 51.288 52.037 -0.009 0.000 0.842 1173 A CB 0.115 19.029 19.000 -0.143 0.000 1.142 1173 A HN 0.712 nan 8.150 nan 0.000 0.495 1174 K N 3.530 123.884 120.400 -0.076 0.000 2.307 1174 K HA 0.210 4.534 4.320 0.007 0.000 0.240 1174 K C 0.624 177.165 176.600 -0.099 0.000 1.214 1174 K CA -0.235 56.025 56.287 -0.046 0.000 1.149 1174 K CB 0.057 32.555 32.500 -0.002 0.000 1.668 1174 K HN 0.762 nan 8.250 nan 0.000 0.314 1175 L N 0.661 121.838 121.223 -0.076 0.000 2.283 1175 L HA -0.335 4.010 4.340 0.007 0.000 0.217 1175 L C 1.602 178.407 176.870 -0.109 0.000 1.104 1175 L CA 1.123 55.916 54.840 -0.077 0.000 0.772 1175 L CB -0.397 41.665 42.059 0.006 0.000 0.899 1175 L HN 0.568 nan 8.230 nan 0.000 0.439 1176 N N -1.401 117.208 118.700 -0.151 0.000 2.305 1176 N HA -0.064 4.681 4.740 0.007 0.000 0.179 1176 N C 1.569 176.895 175.510 -0.305 0.000 1.019 1176 N CA 0.879 53.779 53.050 -0.251 0.000 0.869 1176 N CB -0.065 38.205 38.487 -0.361 0.000 1.000 1176 N HN 0.413 nan 8.380 nan 0.000 0.431 1177 H N 1.051 120.054 119.070 -0.112 0.000 2.533 1177 H HA 0.154 4.714 4.556 0.007 0.000 0.271 1177 H C -0.047 175.176 175.328 -0.176 0.000 1.000 1177 H CA 0.023 56.001 56.048 -0.117 0.000 1.149 1177 H CB -0.073 29.628 29.762 -0.101 0.000 1.375 1177 H HN 0.065 nan 8.280 nan 0.000 0.582 1178 N N 1.825 120.420 118.700 -0.174 0.000 2.708 1178 N HA -0.211 4.533 4.740 0.007 0.000 0.251 1178 N C -0.687 174.545 175.510 -0.463 0.000 1.017 1178 N CA 0.661 53.513 53.050 -0.330 0.000 0.742 1178 N CB -1.077 37.300 38.487 -0.183 0.000 0.943 1178 N HN 0.589 nan 8.380 nan 0.000 0.539 1179 Q N -1.224 118.291 119.800 -0.475 0.000 2.337 1179 Q HA 0.610 4.955 4.340 0.007 0.000 0.266 1179 Q C 0.177 175.867 176.000 -0.516 0.000 1.023 1179 Q CA -0.625 54.940 55.803 -0.397 0.000 0.829 1179 Q CB 1.265 29.905 28.738 -0.164 0.000 1.306 1179 Q HN 0.206 nan 8.270 nan 0.000 0.449 1180 F N 0.230 120.151 119.950 -0.048 0.000 2.480 1180 F HA 0.251 4.782 4.527 0.007 0.000 0.258 1180 F C 0.337 176.109 175.800 -0.048 0.000 0.941 1180 F CA -0.272 57.685 58.000 -0.071 0.000 1.085 1180 F CB 0.437 39.390 39.000 -0.078 0.000 1.222 1180 F HN 0.574 nan 8.300 nan 0.000 0.724 1181 E N -0.286 120.030 120.200 0.194 0.000 8.380 1181 E HA -0.305 4.049 4.350 0.007 0.000 0.467 1181 E C -1.637 175.007 176.600 0.074 0.000 0.976 1181 E CA 0.431 56.886 56.400 0.092 0.000 1.699 1181 E CB -0.349 29.380 29.700 0.048 0.000 0.997 1181 E HN 0.503 nan 8.360 nan 0.000 0.265 1182 C N 5.052 124.377 119.300 0.043 0.000 3.233 1182 C HA 0.405 4.869 4.460 0.007 0.000 0.299 1182 C C -0.936 174.067 174.990 0.021 0.000 1.060 1182 C CA -0.571 58.465 59.018 0.030 0.000 1.382 1182 C CB -0.678 27.073 27.740 0.018 0.000 1.828 1182 C HN 0.528 nan 8.230 nan 0.000 0.530 1183 K N 3.222 123.634 120.400 0.021 0.000 2.511 1183 K HA 0.502 4.827 4.320 0.007 0.000 0.280 1183 K C 1.236 177.845 176.600 0.015 0.000 1.008 1183 K CA 0.862 57.158 56.287 0.016 0.000 1.050 1183 K CB -0.196 32.314 32.500 0.016 0.000 0.889 1183 K HN 1.476 nan 8.250 nan 0.000 0.484 1184 G N 1.226 110.033 108.800 0.012 0.000 3.922 1184 G HA2 -0.310 3.655 3.960 0.007 0.000 0.208 1184 G HA3 -0.310 3.655 3.960 0.007 0.000 0.208 1184 G C 0.509 175.415 174.900 0.009 0.000 1.491 1184 G CA -0.204 44.902 45.100 0.011 0.000 1.017 1184 G HN 0.757 nan 8.290 nan 0.000 0.603 1185 c N 2.564 121.169 118.600 0.008 0.000 2.294 1185 c HA 0.522 5.096 4.570 0.007 0.000 0.348 1185 c C 0.574 174.666 174.090 0.003 0.000 1.355 1185 c CA -0.795 55.536 56.329 0.003 0.000 1.774 1185 c CB -1.449 41.059 42.510 -0.002 0.000 2.259 1185 c HN 0.619 nan 8.230 nan 0.000 0.570 1186 D N 2.388 122.791 120.400 0.006 0.000 7.011 1186 D HA -0.175 4.469 4.640 0.007 0.000 0.125 1186 D C 0.388 176.692 176.300 0.006 0.000 1.093 1186 D CA 1.242 55.247 54.000 0.007 0.000 0.765 1186 D CB 0.408 41.212 40.800 0.006 0.000 1.507 1186 D HN 0.551 nan 8.370 nan 0.000 0.865 1187 N N 2.430 121.137 118.700 0.011 0.000 2.504 1187 N HA 0.220 4.964 4.740 0.007 0.000 0.115 1187 N C 0.432 175.957 175.510 0.024 0.000 1.699 1187 N CA 0.222 53.278 53.050 0.010 0.000 1.209 1187 N CB 0.359 38.847 38.487 0.002 0.000 0.989 1187 N HN 0.470 nan 8.380 nan 0.000 0.366 1188 K N -1.048 119.382 120.400 0.050 0.000 3.615 1188 K HA -0.121 4.204 4.320 0.007 0.000 0.264 1188 K C 0.869 177.526 176.600 0.095 0.000 1.090 1188 K CA 1.161 57.502 56.287 0.090 0.000 1.058 1188 K CB -1.185 31.348 32.500 0.054 0.000 1.304 1188 K HN 0.356 nan 8.250 nan 0.000 0.513 1189 I N -0.263 120.327 120.570 0.032 0.000 3.534 1189 I HA 0.001 4.175 4.170 0.007 0.000 0.251 1189 I C 0.558 176.629 176.117 -0.078 0.000 1.136 1189 I CA -0.131 61.169 61.300 0.001 0.000 1.475 1189 I CB 0.229 38.223 38.000 -0.009 0.000 1.526 1189 I HN -0.002 nan 8.210 nan 0.000 0.454 1190 D N 2.420 122.763 120.400 -0.094 0.000 2.508 1190 D HA 0.358 5.002 4.640 0.007 0.000 0.224 1190 D C -0.688 175.473 176.300 -0.232 0.000 1.171 1190 D CA 0.407 54.305 54.000 -0.169 0.000 1.006 1190 D CB -0.204 40.559 40.800 -0.062 0.000 1.073 1190 D HN 0.073 nan 8.370 nan 0.000 0.513 1191 I N 3.160 123.479 120.570 -0.419 0.000 2.534 1191 I HA 0.277 4.451 4.170 0.007 0.000 0.288 1191 I C -0.887 174.905 176.117 -0.541 0.000 1.077 1191 I CA -0.867 60.191 61.300 -0.405 0.000 1.051 1191 I CB 1.382 39.084 38.000 -0.498 0.000 1.234 1191 I HN 0.131 nan 8.210 nan 0.000 0.425 1192 Y N 3.734 123.922 120.300 -0.186 0.000 2.567 1192 Y HA 0.546 5.100 4.550 0.007 0.000 0.333 1192 Y C -0.015 175.762 175.900 -0.204 0.000 1.106 1192 Y CA -0.654 57.350 58.100 -0.161 0.000 1.157 1192 Y CB 1.260 39.646 38.460 -0.123 0.000 1.277 1192 Y HN 0.383 nan 8.280 nan 0.000 0.490 1193 Q N 2.920 122.696 119.800 -0.041 0.000 2.325 1193 Q HA 0.577 4.922 4.340 0.007 0.000 0.270 1193 Q C -1.525 174.425 176.000 -0.083 0.000 1.020 1193 Q CA -0.654 55.010 55.803 -0.231 0.000 0.785 1193 Q CB 1.374 29.966 28.738 -0.244 0.000 1.259 1193 Q HN 0.754 nan 8.270 nan 0.000 0.452 1194 I N -0.058 120.454 120.570 -0.096 0.000 2.562 1194 I HA 0.465 4.639 4.170 0.007 0.000 0.301 1194 I C -0.806 175.352 176.117 0.068 0.000 1.003 1194 I CA -1.063 60.241 61.300 0.007 0.000 1.127 1194 I CB 1.689 39.690 38.000 0.001 0.000 1.304 1194 I HN 0.542 nan 8.210 nan 0.000 0.446 1195 H N 5.634 124.669 119.070 -0.060 0.000 2.643 1195 H HA 0.568 5.128 4.556 0.007 0.000 0.259 1195 H C -0.429 174.902 175.328 0.006 0.000 1.298 1195 H CA -0.487 55.537 56.048 -0.039 0.000 1.301 1195 H CB 0.505 30.250 29.762 -0.029 0.000 1.422 1195 H HN 0.621 nan 8.280 nan 0.000 0.521 1196 I N -0.580 120.023 120.570 0.056 0.000 2.910 1196 I HA 0.707 4.881 4.170 0.007 0.000 0.310 1196 I C -2.630 173.546 176.117 0.099 0.000 1.043 1196 I CA -3.036 58.317 61.300 0.089 0.000 1.053 1196 I CB 2.682 40.757 38.000 0.126 0.000 1.242 1196 I HN 0.114 nan 8.210 nan 0.000 0.452 1197 P HA 0.004 nan 4.420 nan 0.000 0.271 1197 P C -0.174 177.206 177.300 0.134 0.000 1.216 1197 P CA 0.177 63.335 63.100 0.096 0.000 0.776 1197 P CB 0.634 32.356 31.700 0.037 0.000 0.881 1198 Y N 3.914 124.249 120.300 0.059 0.000 2.114 1198 Y HA -0.285 4.270 4.550 0.008 0.000 0.282 1198 Y C 2.540 178.415 175.900 -0.042 0.000 1.165 1198 Y CA 2.726 60.831 58.100 0.010 0.000 1.148 1198 Y CB -0.973 37.420 38.460 -0.112 0.000 0.972 1198 Y HN 0.472 nan 8.280 nan 0.000 0.504 1199 A N 0.402 123.278 122.820 0.093 0.000 1.986 1199 A HA -0.244 4.081 4.320 0.007 0.000 0.220 1199 A C 2.404 179.884 177.584 -0.173 0.000 1.171 1199 A CA 2.117 54.142 52.037 -0.019 0.000 0.640 1199 A CB -1.542 17.463 19.000 0.008 0.000 0.811 1199 A HN 0.653 nan 8.150 nan 0.000 0.451 1200 A N -0.049 122.651 122.820 -0.200 0.000 1.877 1200 A HA -0.186 4.138 4.320 0.007 0.000 0.216 1200 A C 2.151 179.433 177.584 -0.504 0.000 1.186 1200 A CA 2.034 53.817 52.037 -0.423 0.000 0.620 1200 A CB -0.533 18.276 19.000 -0.317 0.000 0.822 1200 A HN 0.574 nan 8.150 nan 0.000 0.443 1201 K N -0.253 120.009 120.400 -0.231 0.000 2.059 1201 K HA -0.192 4.133 4.320 0.007 0.000 0.212 1201 K C 2.012 178.502 176.600 -0.184 0.000 1.050 1201 K CA 1.873 58.093 56.287 -0.111 0.000 0.927 1201 K CB -0.438 31.962 32.500 -0.167 0.000 0.714 1201 K HN 0.465 nan 8.250 nan 0.000 0.447 1202 L N 1.042 122.073 121.223 -0.320 0.000 2.012 1202 L HA -0.226 4.118 4.340 0.007 0.000 0.210 1202 L C 2.672 179.465 176.870 -0.128 0.000 1.073 1202 L CA 1.149 55.858 54.840 -0.218 0.000 0.748 1202 L CB -0.323 41.628 42.059 -0.180 0.000 0.891 1202 L HN 0.332 nan 8.230 nan 0.000 0.431 1203 L N -0.849 120.259 121.223 -0.192 0.000 2.046 1203 L HA -0.228 4.116 4.340 0.007 0.000 0.208 1203 L C 2.171 179.017 176.870 -0.040 0.000 1.077 1203 L CA 1.839 56.581 54.840 -0.163 0.000 0.747 1203 L CB -0.674 41.215 42.059 -0.283 0.000 0.896 1203 L HN 0.125 nan 8.230 nan 0.000 0.432 1204 F N -0.643 119.292 119.950 -0.026 0.000 2.171 1204 F HA -0.241 4.290 4.527 0.007 0.000 0.300 1204 F C 2.575 178.368 175.800 -0.011 0.000 1.090 1204 F CA 1.077 59.069 58.000 -0.013 0.000 1.293 1204 F CB -0.165 38.830 39.000 -0.007 0.000 1.013 1204 F HN 0.235 nan 8.300 nan 0.000 0.486 1205 Q N 0.248 120.139 119.800 0.151 0.000 2.049 1205 Q HA -0.175 4.169 4.340 0.007 0.000 0.198 1205 Q C 2.011 178.044 176.000 0.056 0.000 0.971 1205 Q CA 1.291 57.142 55.803 0.081 0.000 0.833 1205 Q CB -0.144 28.614 28.738 0.035 0.000 0.896 1205 Q HN 0.403 nan 8.270 nan 0.000 0.434 1206 E N 0.464 120.684 120.200 0.034 0.000 2.130 1206 E HA -0.227 4.128 4.350 0.007 0.000 0.196 1206 E C 1.926 178.549 176.600 0.039 0.000 0.998 1206 E CA 1.066 57.482 56.400 0.026 0.000 0.806 1206 E CB -0.102 29.602 29.700 0.007 0.000 0.738 1206 E HN 0.310 nan 8.360 nan 0.000 0.459 1207 L N -0.099 121.161 121.223 0.063 0.000 2.093 1207 L HA -0.167 4.177 4.340 0.007 0.000 0.208 1207 L C 2.504 179.409 176.870 0.058 0.000 1.085 1207 L CA 0.878 55.759 54.840 0.068 0.000 0.755 1207 L CB -0.276 41.848 42.059 0.108 0.000 0.904 1207 L HN 0.215 nan 8.230 nan 0.000 0.435 1208 M N -0.447 119.192 119.600 0.064 0.000 2.159 1208 M HA -0.179 4.305 4.480 0.007 0.000 0.263 1208 M C 2.314 178.636 176.300 0.036 0.000 1.063 1208 M CA 1.832 57.160 55.300 0.047 0.000 1.110 1208 M CB -0.491 32.139 32.600 0.050 0.000 1.374 1208 M HN 0.287 nan 8.290 nan 0.000 0.411 1209 A N -0.500 122.341 122.820 0.036 0.000 2.216 1209 A HA -0.022 4.302 4.320 0.007 0.000 0.214 1209 A C 1.737 179.335 177.584 0.024 0.000 1.160 1209 A CA 1.000 53.053 52.037 0.028 0.000 0.725 1209 A CB -0.563 18.452 19.000 0.025 0.000 0.784 1209 A HN 0.518 nan 8.150 nan 0.000 0.472 1210 M N -1.020 118.596 119.600 0.027 0.000 2.589 1210 M HA 0.167 4.652 4.480 0.007 0.000 0.344 1210 M C 0.566 176.879 176.300 0.022 0.000 1.168 1210 M CA -0.125 55.189 55.300 0.023 0.000 0.956 1210 M CB 0.147 32.761 32.600 0.023 0.000 1.370 1210 M HN 0.540 nan 8.290 nan 0.000 0.518 1211 N N 1.467 120.180 118.700 0.023 0.000 2.828 1211 N HA -0.166 4.578 4.740 0.007 0.000 0.248 1211 N C -0.722 174.800 175.510 0.020 0.000 1.044 1211 N CA 0.682 53.744 53.050 0.020 0.000 0.851 1211 N CB -0.672 37.825 38.487 0.016 0.000 1.136 1211 N HN 0.426 nan 8.380 nan 0.000 0.572 1212 I N 1.951 122.536 120.570 0.025 0.000 2.315 1212 I HA 0.129 4.303 4.170 0.007 0.000 0.291 1212 I C 0.730 176.863 176.117 0.027 0.000 1.006 1212 I CA -0.372 60.943 61.300 0.026 0.000 1.265 1212 I CB 1.510 39.530 38.000 0.032 0.000 1.387 1212 I HN 0.057 nan 8.210 nan 0.000 0.475 1213 T N 3.850 118.412 114.554 0.014 0.000 2.762 1213 T HA 0.455 4.810 4.350 0.007 0.000 0.303 1213 T C -2.445 172.243 174.700 -0.020 0.000 0.977 1213 T CA -1.827 60.276 62.100 0.004 0.000 0.961 1213 T CB 0.439 69.310 68.868 0.006 0.000 0.944 1213 T HN 0.225 nan 8.240 nan 0.000 0.481 1214 P HA 0.369 nan 4.420 nan 0.000 0.288 1214 P C -0.052 177.115 177.300 -0.222 0.000 1.363 1214 P CA -0.671 62.342 63.100 -0.145 0.000 0.837 1214 P CB 0.546 32.133 31.700 -0.188 0.000 0.981 1215 R N 2.848 123.262 120.500 -0.143 0.000 2.531 1215 R HA 0.512 4.856 4.340 0.007 0.000 0.273 1215 R C -0.202 176.061 176.300 -0.062 0.000 1.070 1215 R CA -0.620 55.463 56.100 -0.029 0.000 1.112 1215 R CB 0.631 30.961 30.300 0.051 0.000 1.049 1215 R HN 0.486 nan 8.270 nan 0.000 0.508 1216 L N 3.401 124.679 121.223 0.092 0.000 2.415 1216 L HA 0.367 4.711 4.340 0.007 0.000 0.268 1216 L C -1.261 175.735 176.870 0.211 0.000 0.984 1216 L CA -0.648 54.223 54.840 0.052 0.000 0.853 1216 L CB 0.926 42.925 42.059 -0.100 0.000 1.215 1216 L HN 0.377 nan 8.230 nan 0.000 0.419 1217 Y N 0.255 120.465 120.300 -0.151 0.000 2.409 1217 Y HA 0.371 4.925 4.550 0.007 0.000 0.339 1217 Y C 1.272 177.042 175.900 -0.216 0.000 1.033 1217 Y CA -1.539 56.455 58.100 -0.177 0.000 1.094 1217 Y CB 2.070 40.453 38.460 -0.128 0.000 1.210 1217 Y HN 0.531 nan 8.280 nan 0.000 0.456 1218 T N -2.757 111.652 114.554 -0.242 0.000 3.105 1218 T HA 0.213 4.567 4.350 0.007 0.000 0.253 1218 T C -0.637 173.947 174.700 -0.192 0.000 1.047 1218 T CA -0.212 61.711 62.100 -0.295 0.000 0.944 1218 T CB -0.490 68.011 68.868 -0.611 0.000 1.016 1218 T HN 0.531 nan 8.240 nan 0.000 0.544 1219 D N 0.615 120.952 120.400 -0.106 0.000 2.947 1219 D HA 0.295 4.939 4.640 0.007 0.000 0.224 1219 D C -0.584 175.720 176.300 0.007 0.000 1.230 1219 D CA -1.005 52.968 54.000 -0.045 0.000 0.871 1219 D CB 1.134 41.907 40.800 -0.045 0.000 1.671 1219 D HN 0.337 nan 8.370 nan 0.000 0.507 1220 R N 0.242 120.744 120.500 0.003 0.000 2.265 1220 R HA 0.543 4.887 4.340 0.007 0.000 0.314 1220 R C 0.265 176.571 176.300 0.010 0.000 1.053 1220 R CA -0.648 55.458 56.100 0.009 0.000 0.931 1220 R CB 0.967 31.273 30.300 0.009 0.000 1.024 1220 R HN 0.499 nan 8.270 nan 0.000 0.457 1221 S N 2.572 118.279 115.700 0.010 0.000 2.497 1221 S HA -0.032 4.442 4.470 0.007 0.000 0.218 1221 S C 1.825 176.417 174.600 -0.013 0.000 1.023 1221 S CA -0.331 57.871 58.200 0.004 0.000 0.913 1221 S CB 0.044 63.253 63.200 0.014 0.000 0.800 1221 S HN 0.737 nan 8.310 nan 0.000 0.505 1222 R N 1.004 121.503 120.500 -0.000 0.000 2.066 1222 R HA -0.020 4.324 4.340 0.007 0.000 0.232 1222 R C 0.390 176.657 176.300 -0.056 0.000 1.131 1222 R CA 1.709 57.810 56.100 0.003 0.000 0.955 1222 R CB -0.119 30.234 30.300 0.089 0.000 0.851 1222 R HN 0.383 nan 8.270 nan 0.000 0.432 1223 D N -3.103 117.292 120.400 -0.009 0.000 4.640 1223 D HA -0.222 4.423 4.640 0.007 0.000 0.135 1223 D C -0.033 176.321 176.300 0.091 0.000 0.752 1223 D CA 1.518 55.501 54.000 -0.028 0.000 1.019 1223 D CB -0.959 39.758 40.800 -0.139 0.000 0.618 1223 D HN 0.137 nan 8.370 nan 0.000 0.594 1224 F N 0.000 119.945 119.950 -0.008 0.000 2.286 1224 F HA 0.000 4.531 4.527 0.007 0.000 0.279 1224 F CA 0.000 57.995 58.000 -0.008 0.000 1.383 1224 F CB 0.000 38.994 39.000 -0.010 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574